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 3i5h_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTMDFSDPDM EFLCLTRQKL MEATSIPFDG KKNCWVPDPD FGFVGAEIQS DATA SEQUENCE TKGDEVTVKT DKTQETRVVK KDDIGQRNPP KFEMNMDMAN LTFLNEASIL DATA SEQUENCE HNLRSRYESG FIYTYSGLFC IAINPYRRLP IYTQGLVDKY RGKRRAEMPP DATA SEQUENCE HLFSIADNAY QYMLQDRENQ SMLITGESGA GKTENTKKVI QYFALVAASL DATA SEQUENCE AGXXXXXXXX XXXXXXKGTL EDQIVQCNPV LEAYGNAKTT RNNNSSRFGK DATA SEQUENCE FIRIHFGTQG KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQLLSPAFPE DATA SEQUENCE NIEKILAVPD PGLYGFINQG TLTVDGIDDE EEMGLTDTAF DVLGFTDEEK DATA SEQUENCE LSMYKCTGCI LHLGEMKWKQ RGEQAEADGT AEAEKVAFLL GVNAGDLLKC DATA SEQUENCE LLKPKIKVGT EYVTQGRNKD QVTNSIAALA KSLYDRMFNW LVRRVNQTLD DATA SEQUENCE TKAKRQFFIG VLDIAGFEIF DFNSFEQLCI NYTNERLQQF FNHHMFVLEQ DATA SEQUENCE EEYKKEGIVW EFIDFGLDLQ ACIELIEKPM GILSILEEEC MFPKASDTSF DATA SEQUENCE KNKLYDNHLG KNPMFGKPKP PKAGCAEAHF CLHHYAGSVS YSIAGWLDKN DATA SEQUENCE KDPINENVVE LLQNSKEPIV KMLFTXXXXX XXXXXXXXXX XXAFQTISSV DATA SEQUENCE HKESLNKLMK NLYSTHPHFV RCIIPNELKT PGLIDAALVL HQLRCNGVLE DATA SEQUENCE GIRICRKGFP NRIIYSEFKQ RYSILAPNAV PSGFADGKVV TDKALSALQL DATA SEQUENCE DPNEYRLGNT KVFFKAGVLG MLEDMRDERL SKIISMFQAH IRGYLMRKAY DATA SEQUENCE KKLQDQRIGL TLIQRNVRKW LVLRNWEWWR LFNKVKPLL 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 0.000 176.435 176.300 0.225 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.479 32.600 -0.202 0.000 1.302 2 T N 0.175 114.872 114.554 0.238 0.000 2.903 2 T HA 0.872 5.223 4.350 0.002 0.000 0.299 2 T C 0.154 174.884 174.700 0.049 0.000 1.093 2 T CA -0.420 61.767 62.100 0.145 0.000 1.002 2 T CB 1.739 70.631 68.868 0.039 0.000 1.127 2 T HN 0.837 nan 8.240 nan 0.000 0.488 3 M N 0.547 120.104 119.600 -0.073 0.000 7.319 3 M HA -0.128 4.353 4.480 0.002 0.000 0.438 3 M C -0.342 175.745 176.300 -0.355 0.000 0.480 3 M CA 1.069 56.268 55.300 -0.167 0.000 1.311 3 M CB -2.127 30.404 32.600 -0.116 0.000 0.421 3 M HN 0.942 nan 8.290 nan 0.000 0.566 4 D N 1.148 121.386 120.400 -0.269 0.000 2.443 4 D HA 0.515 5.156 4.640 0.002 0.000 0.221 4 D C 0.755 176.942 176.300 -0.189 0.000 1.097 4 D CA -0.104 53.684 54.000 -0.352 0.000 0.865 4 D CB -0.051 40.637 40.800 -0.187 0.000 1.034 4 D HN 0.383 nan 8.370 nan 0.000 0.511 5 F N 1.147 121.093 119.950 -0.007 0.000 2.346 5 F HA -0.167 4.361 4.527 0.002 0.000 0.301 5 F C 2.183 177.990 175.800 0.011 0.000 1.070 5 F CA 0.217 58.218 58.000 0.002 0.000 1.407 5 F CB -0.038 38.955 39.000 -0.012 0.000 1.072 5 F HN 0.235 nan 8.300 nan 0.000 0.543 6 S N -1.890 113.866 115.700 0.093 0.000 2.517 6 S HA -0.064 4.407 4.470 0.002 0.000 0.214 6 S C 0.551 175.174 174.600 0.038 0.000 0.991 6 S CA -0.332 57.906 58.200 0.063 0.000 0.906 6 S CB -0.222 62.997 63.200 0.032 0.000 0.789 6 S HN 0.266 nan 8.310 nan 0.000 0.513 7 D N 2.577 122.990 120.400 0.022 0.000 2.487 7 D HA 0.023 4.664 4.640 0.002 0.000 0.243 7 D C -1.741 174.593 176.300 0.057 0.000 1.154 7 D CA -1.271 52.744 54.000 0.025 0.000 0.876 7 D CB 1.109 41.916 40.800 0.012 0.000 1.161 7 D HN -0.034 nan 8.370 nan 0.000 0.478 8 P HA -0.197 nan 4.420 nan 0.000 0.219 8 P C 0.874 178.237 177.300 0.104 0.000 1.161 8 P CA 1.150 64.293 63.100 0.071 0.000 0.909 8 P CB 0.249 31.985 31.700 0.060 0.000 0.793 9 D N -1.031 119.435 120.400 0.110 0.000 2.108 9 D HA -0.149 4.492 4.640 0.002 0.000 0.190 9 D C 1.497 177.913 176.300 0.193 0.000 0.995 9 D CA 1.233 55.321 54.000 0.147 0.000 0.834 9 D CB -0.655 40.227 40.800 0.137 0.000 0.967 9 D HN 0.098 nan 8.370 nan 0.000 0.446 10 M N 1.339 121.046 119.600 0.180 0.000 2.864 10 M HA -0.095 4.386 4.480 0.002 0.000 0.218 10 M C 1.536 177.967 176.300 0.217 0.000 0.977 10 M CA 0.539 55.969 55.300 0.217 0.000 1.093 10 M CB -1.175 31.535 32.600 0.184 0.000 1.555 10 M HN 0.175 nan 8.290 nan 0.000 0.554 11 E N 0.479 120.783 120.200 0.174 0.000 2.152 11 E HA -0.137 4.213 4.350 0.002 0.000 0.192 11 E C 0.572 177.028 176.600 -0.240 0.000 0.983 11 E CA 1.082 57.467 56.400 -0.025 0.000 0.818 11 E CB 0.197 29.839 29.700 -0.097 0.000 0.758 11 E HN 0.499 nan 8.360 nan 0.000 0.467 12 F N -0.242 119.741 119.950 0.056 0.000 2.647 12 F HA 0.253 4.781 4.527 0.002 0.000 0.300 12 F C 1.207 177.177 175.800 0.283 0.000 1.106 12 F CA -0.027 57.917 58.000 -0.094 0.000 1.313 12 F CB 0.638 39.553 39.000 -0.142 0.000 1.007 12 F HN -0.020 nan 8.300 nan 0.000 0.536 13 L N -3.142 118.479 121.223 0.664 0.000 2.806 13 L HA 0.112 4.453 4.340 0.002 0.000 0.242 13 L C 1.380 178.444 176.870 0.323 0.000 1.068 13 L CA 0.265 55.456 54.840 0.586 0.000 0.923 13 L CB -0.192 42.122 42.059 0.425 0.000 1.364 13 L HN 0.116 nan 8.230 nan 0.000 0.511 14 C N -0.200 119.280 119.300 0.300 0.000 6.017 14 C HA 0.412 4.873 4.460 0.002 0.000 0.243 14 C C 0.756 175.638 174.990 -0.179 0.000 1.723 14 C CA 0.204 59.256 59.018 0.057 0.000 1.633 14 C CB 0.495 28.350 27.740 0.191 0.000 1.875 14 C HN 0.470 nan 8.230 nan 0.000 0.525 15 L N 0.997 122.238 121.223 0.030 0.000 2.091 15 L HA 0.073 4.414 4.340 0.002 0.000 0.652 15 L C 0.102 176.943 176.870 -0.049 0.000 1.246 15 L CA 0.667 55.505 54.840 -0.005 0.000 1.333 15 L CB -2.047 39.861 42.059 -0.252 0.000 2.183 15 L HN 0.775 nan 8.230 nan 0.000 0.921 16 T N -0.962 113.623 114.554 0.052 0.000 2.326 16 T HA -0.247 4.103 4.350 0.002 0.000 0.179 16 T C 1.490 176.169 174.700 -0.035 0.000 1.021 16 T CA 1.181 63.324 62.100 0.071 0.000 1.223 16 T CB 0.191 69.099 68.868 0.066 0.000 0.968 16 T HN 0.884 nan 8.240 nan 0.000 0.417 17 R N 2.925 123.419 120.500 -0.010 0.000 2.206 17 R HA -0.315 4.026 4.340 0.002 0.000 0.240 17 R C 2.473 178.735 176.300 -0.064 0.000 1.117 17 R CA 2.743 58.784 56.100 -0.098 0.000 0.915 17 R CB -0.603 29.811 30.300 0.190 0.000 0.888 17 R HN 0.934 nan 8.270 nan 0.000 0.432 18 Q N -0.145 119.654 119.800 -0.000 0.000 2.133 18 Q HA -0.244 4.097 4.340 0.002 0.000 0.208 18 Q C 2.181 178.166 176.000 -0.026 0.000 0.991 18 Q CA 2.266 58.064 55.803 -0.009 0.000 0.867 18 Q CB -0.081 28.662 28.738 0.008 0.000 0.911 18 Q HN 0.329 nan 8.270 nan 0.000 0.417 19 K N -0.085 120.300 120.400 -0.026 0.000 2.217 19 K HA -0.155 4.166 4.320 0.002 0.000 0.202 19 K C 1.928 178.497 176.600 -0.052 0.000 1.051 19 K CA 0.553 56.824 56.287 -0.026 0.000 0.952 19 K CB 0.042 32.537 32.500 -0.007 0.000 0.736 19 K HN 0.098 nan 8.250 nan 0.000 0.453 20 L N 1.116 122.280 121.223 -0.099 0.000 2.013 20 L HA -0.068 4.273 4.340 0.002 0.000 0.204 20 L C 2.344 179.146 176.870 -0.114 0.000 1.081 20 L CA 1.729 56.484 54.840 -0.140 0.000 0.751 20 L CB -0.805 41.104 42.059 -0.250 0.000 0.901 20 L HN 0.203 nan 8.230 nan 0.000 0.440 21 M N -0.117 119.414 119.600 -0.116 0.000 2.128 21 M HA -0.319 4.162 4.480 0.002 0.000 0.253 21 M C 2.149 178.410 176.300 -0.065 0.000 1.079 21 M CA 2.413 57.658 55.300 -0.092 0.000 1.082 21 M CB -0.535 32.022 32.600 -0.072 0.000 1.335 21 M HN 0.509 nan 8.290 nan 0.000 0.401 22 E N -0.814 119.356 120.200 -0.050 0.000 2.028 22 E HA -0.171 4.180 4.350 0.002 0.000 0.191 22 E C 1.888 178.474 176.600 -0.024 0.000 0.988 22 E CA 1.303 57.685 56.400 -0.030 0.000 0.799 22 E CB -0.249 29.439 29.700 -0.020 0.000 0.755 22 E HN 0.672 nan 8.360 nan 0.000 0.447 23 A N 0.034 122.837 122.820 -0.028 0.000 2.015 23 A HA -0.095 4.226 4.320 0.002 0.000 0.219 23 A C 2.197 179.769 177.584 -0.021 0.000 1.163 23 A CA 1.637 53.666 52.037 -0.013 0.000 0.646 23 A CB -0.457 18.535 19.000 -0.014 0.000 0.806 23 A HN 0.278 nan 8.150 nan 0.000 0.448 24 T N 0.184 114.706 114.554 -0.053 0.000 3.055 24 T HA -0.012 4.339 4.350 0.002 0.000 0.265 24 T C 1.707 176.368 174.700 -0.064 0.000 1.111 24 T CA 1.317 63.373 62.100 -0.074 0.000 1.118 24 T CB -0.121 68.677 68.868 -0.116 0.000 0.909 24 T HN 0.686 nan 8.240 nan 0.000 0.501 25 S N 1.181 116.856 115.700 -0.041 0.000 2.539 25 S HA 0.275 4.746 4.470 0.002 0.000 0.221 25 S C 0.809 175.412 174.600 0.004 0.000 0.987 25 S CA -0.826 57.357 58.200 -0.028 0.000 0.929 25 S CB -0.873 62.307 63.200 -0.032 0.000 0.832 25 S HN 0.678 nan 8.310 nan 0.000 0.492 26 I N -0.180 120.402 120.570 0.020 0.000 3.141 26 I HA 0.244 4.415 4.170 0.002 0.000 0.295 26 I C -2.586 173.584 176.117 0.088 0.000 1.252 26 I CA -1.491 59.839 61.300 0.051 0.000 1.406 26 I CB -0.757 37.284 38.000 0.068 0.000 1.333 26 I HN -0.114 nan 8.210 nan 0.000 0.594 27 P HA 0.150 nan 4.420 nan 0.000 0.263 27 P C -1.063 176.356 177.300 0.198 0.000 1.175 27 P CA 0.590 63.749 63.100 0.098 0.000 0.761 27 P CB 0.141 31.870 31.700 0.050 0.000 0.794 28 F N 1.693 121.632 119.950 -0.019 0.000 2.708 28 F HA 0.348 4.876 4.527 0.002 0.000 0.309 28 F C -1.762 174.024 175.800 -0.023 0.000 1.120 28 F CA -0.676 57.308 58.000 -0.027 0.000 0.978 28 F CB 1.994 40.984 39.000 -0.015 0.000 1.283 28 F HN 0.198 nan 8.300 nan 0.000 0.439 29 D N 2.672 122.653 120.400 -0.698 0.000 2.328 29 D HA 0.296 4.937 4.640 0.002 0.000 0.243 29 D C 0.770 176.753 176.300 -0.527 0.000 1.324 29 D CA 0.222 54.000 54.000 -0.369 0.000 0.966 29 D CB 1.058 41.710 40.800 -0.247 0.000 1.324 29 D HN 0.761 nan 8.370 nan 0.000 0.549 30 G N 2.502 111.227 108.800 -0.125 0.000 2.564 30 G HA2 -0.261 3.700 3.960 0.002 0.000 0.217 30 G HA3 -0.261 3.700 3.960 0.002 0.000 0.217 30 G C 1.160 176.033 174.900 -0.044 0.000 1.120 30 G CA 0.510 45.654 45.100 0.073 0.000 0.752 30 G HN 0.444 nan 8.290 nan 0.000 0.558 31 K N -0.570 119.771 120.400 -0.098 0.000 2.361 31 K HA 0.124 4.445 4.320 0.002 0.000 0.196 31 K C 1.618 178.147 176.600 -0.118 0.000 1.039 31 K CA 0.597 56.837 56.287 -0.077 0.000 1.001 31 K CB 0.247 32.715 32.500 -0.054 0.000 0.795 31 K HN 0.204 nan 8.250 nan 0.000 0.495 32 K N -0.444 119.841 120.400 -0.192 0.000 2.590 32 K HA 0.110 4.431 4.320 0.002 0.000 0.218 32 K C -0.359 176.092 176.600 -0.249 0.000 1.536 32 K CA -0.193 55.983 56.287 -0.186 0.000 1.013 32 K CB 0.666 33.079 32.500 -0.145 0.000 1.265 32 K HN -0.029 nan 8.250 nan 0.000 0.603 33 N N 1.423 119.882 118.700 -0.402 0.000 2.482 33 N HA 0.184 4.925 4.740 0.002 0.000 0.260 33 N C -0.168 175.119 175.510 -0.372 0.000 1.236 33 N CA -0.036 52.740 53.050 -0.457 0.000 0.938 33 N CB 0.794 38.792 38.487 -0.815 0.000 1.128 33 N HN 0.295 nan 8.380 nan 0.000 0.448 34 C N -1.635 117.453 119.300 -0.353 0.000 3.253 34 C HA 0.483 4.944 4.460 0.002 0.000 0.342 34 C C -1.645 173.226 174.990 -0.198 0.000 1.306 34 C CA -1.573 57.255 59.018 -0.317 0.000 1.207 34 C CB -0.195 27.446 27.740 -0.165 0.000 1.479 34 C HN 0.799 nan 8.230 nan 0.000 0.469 35 W N 1.007 122.270 121.300 -0.063 0.000 2.365 35 W HA 0.649 5.310 4.660 0.002 0.000 0.316 35 W C 0.006 176.542 176.519 0.029 0.000 1.164 35 W CA -0.561 56.765 57.345 -0.032 0.000 1.204 35 W CB 1.603 31.009 29.460 -0.090 0.000 1.213 35 W HN 0.695 nan 8.180 nan 0.000 0.539 36 V N 5.783 125.944 119.914 0.413 0.000 2.932 36 V HA 0.384 4.505 4.120 0.002 0.000 0.307 36 V C -2.067 174.214 176.094 0.311 0.000 1.147 36 V CA -2.598 59.877 62.300 0.291 0.000 0.951 36 V CB 2.756 34.678 31.823 0.165 0.000 1.031 36 V HN 0.272 nan 8.190 nan 0.000 0.426 37 P HA 0.117 nan 4.420 nan 0.000 0.264 37 P C -1.359 175.916 177.300 -0.041 0.000 1.193 37 P CA 0.351 63.428 63.100 -0.038 0.000 0.763 37 P CB 0.659 32.324 31.700 -0.058 0.000 0.810 38 D N 4.189 124.525 120.400 -0.108 0.000 2.620 38 D HA 0.258 4.899 4.640 0.002 0.000 0.252 38 D C -1.979 174.320 176.300 -0.002 0.000 1.207 38 D CA -2.442 51.583 54.000 0.041 0.000 0.884 38 D CB 1.794 42.720 40.800 0.210 0.000 1.262 38 D HN -0.014 nan 8.370 nan 0.000 0.552 39 P HA -0.053 nan 4.420 nan 0.000 0.223 39 P C 0.132 177.370 177.300 -0.104 0.000 1.144 39 P CA 0.990 64.053 63.100 -0.063 0.000 0.783 39 P CB 0.585 32.258 31.700 -0.045 0.000 0.771 40 D N -2.322 118.000 120.400 -0.131 0.000 2.431 40 D HA 0.083 4.724 4.640 0.002 0.000 0.235 40 D C 0.364 176.402 176.300 -0.437 0.000 0.980 40 D CA 0.747 54.491 54.000 -0.427 0.000 0.912 40 D CB -0.098 40.181 40.800 -0.868 0.000 1.056 40 D HN 0.167 nan 8.370 nan 0.000 0.494 41 F N -0.326 119.605 119.950 -0.031 0.000 2.928 41 F HA 0.565 5.093 4.527 0.002 0.000 0.337 41 F C 1.630 177.408 175.800 -0.037 0.000 1.259 41 F CA -0.725 57.268 58.000 -0.011 0.000 1.267 41 F CB 0.294 39.310 39.000 0.027 0.000 0.986 41 F HN 0.013 nan 8.300 nan 0.000 0.507 42 G N 1.290 110.119 108.800 0.047 0.000 4.011 42 G HA2 -0.349 3.612 3.960 0.002 0.000 0.348 42 G HA3 -0.349 3.612 3.960 0.002 0.000 0.348 42 G C -0.083 174.600 174.900 -0.361 0.000 1.310 42 G CA 0.825 45.819 45.100 -0.178 0.000 1.056 42 G HN 0.281 nan 8.290 nan 0.000 0.728 43 F N -0.069 119.900 119.950 0.031 0.000 2.546 43 F HA 0.735 5.263 4.527 0.001 0.000 0.320 43 F C 0.300 176.088 175.800 -0.019 0.000 1.076 43 F CA -0.907 57.085 58.000 -0.013 0.000 0.928 43 F CB 2.576 41.495 39.000 -0.135 0.000 1.189 43 F HN 0.292 nan 8.300 nan 0.000 0.465 44 V N 0.920 120.981 119.914 0.244 0.000 2.962 44 V HA 0.728 4.849 4.120 0.002 0.000 0.313 44 V C 0.067 176.401 176.094 0.400 0.000 1.099 44 V CA -1.099 61.315 62.300 0.190 0.000 0.971 44 V CB 2.103 33.945 31.823 0.031 0.000 1.028 44 V HN 0.911 nan 8.190 nan 0.000 0.430 45 G N 1.079 110.146 108.800 0.445 0.000 2.432 45 G HA2 0.661 4.622 3.960 0.002 0.000 0.257 45 G HA3 0.661 4.622 3.960 0.002 0.000 0.257 45 G C -0.254 174.689 174.900 0.071 0.000 1.238 45 G CA 0.613 45.893 45.100 0.299 0.000 0.838 45 G HN 1.264 nan 8.290 nan 0.000 0.547 46 A N 1.950 124.752 122.820 -0.030 0.000 2.533 46 A HA 0.881 5.202 4.320 0.002 0.000 0.293 46 A C -0.794 176.722 177.584 -0.115 0.000 1.228 46 A CA -0.721 51.288 52.037 -0.047 0.000 0.689 46 A CB 1.429 20.431 19.000 0.003 0.000 1.303 46 A HN 0.579 nan 8.150 nan 0.000 0.444 47 E N 0.212 120.358 120.200 -0.091 0.000 2.256 47 E HA 0.490 4.841 4.350 0.002 0.000 0.268 47 E C -1.272 175.281 176.600 -0.079 0.000 0.877 47 E CA -0.431 55.901 56.400 -0.112 0.000 0.757 47 E CB 1.900 31.538 29.700 -0.102 0.000 1.183 47 E HN 0.522 nan 8.360 nan 0.000 0.418 48 I N 3.378 123.896 120.570 -0.086 0.000 2.529 48 I HA -0.013 4.157 4.170 0.002 0.000 0.284 48 I C 1.283 177.369 176.117 -0.051 0.000 1.082 48 I CA -0.145 61.119 61.300 -0.061 0.000 1.406 48 I CB 0.850 38.813 38.000 -0.062 0.000 1.405 48 I HN 0.494 nan 8.210 nan 0.000 0.548 49 Q N 3.560 123.339 119.800 -0.036 0.000 2.252 49 Q HA 0.131 4.472 4.340 0.002 0.000 0.195 49 Q C 0.501 176.486 176.000 -0.026 0.000 0.974 49 Q CA 0.849 56.634 55.803 -0.030 0.000 0.846 49 Q CB 0.314 29.039 28.738 -0.022 0.000 0.943 49 Q HN 0.859 nan 8.270 nan 0.000 0.516 50 S N -1.379 114.309 115.700 -0.021 0.000 2.671 50 S HA 0.720 5.191 4.470 0.002 0.000 0.277 50 S C -0.592 173.998 174.600 -0.015 0.000 1.165 50 S CA -0.730 57.460 58.200 -0.018 0.000 0.822 50 S CB 2.293 65.485 63.200 -0.014 0.000 1.150 50 S HN -0.005 nan 8.310 nan 0.000 0.479 51 T N 0.794 115.340 114.554 -0.013 0.000 2.896 51 T HA 0.812 5.163 4.350 0.002 0.000 0.297 51 T C -1.503 173.193 174.700 -0.007 0.000 1.108 51 T CA -0.757 61.336 62.100 -0.011 0.000 1.004 51 T CB 1.716 70.577 68.868 -0.012 0.000 1.159 51 T HN 0.842 nan 8.240 nan 0.000 0.499 52 K N 0.920 121.316 120.400 -0.006 0.000 2.592 52 K HA 0.478 4.799 4.320 0.002 0.000 0.259 52 K C 0.431 177.030 176.600 -0.002 0.000 0.937 52 K CA 0.110 56.395 56.287 -0.004 0.000 0.874 52 K CB 0.864 33.362 32.500 -0.003 0.000 1.339 52 K HN 0.949 nan 8.250 nan 0.000 0.425 53 G N 3.164 111.963 108.800 -0.002 0.000 2.578 53 G HA2 -0.314 3.647 3.960 0.002 0.000 0.313 53 G HA3 -0.314 3.647 3.960 0.002 0.000 0.313 53 G C -0.203 174.697 174.900 -0.000 0.000 1.324 53 G CA 0.615 45.714 45.100 -0.000 0.000 0.955 53 G HN 0.742 nan 8.290 nan 0.000 0.541 54 D N 1.785 122.185 120.400 0.001 0.000 3.038 54 D HA 0.372 5.013 4.640 0.002 0.000 0.243 54 D C 0.463 176.765 176.300 0.003 0.000 1.245 54 D CA 0.592 54.593 54.000 0.002 0.000 0.871 54 D CB 0.123 40.925 40.800 0.004 0.000 1.089 54 D HN 0.453 nan 8.370 nan 0.000 0.464 55 E N 0.451 120.652 120.200 0.001 0.000 2.642 55 E HA 0.209 4.560 4.350 0.002 0.000 0.284 55 E C -1.334 175.266 176.600 -0.000 0.000 1.039 55 E CA -0.376 56.025 56.400 0.002 0.000 0.777 55 E CB 1.211 30.912 29.700 0.001 0.000 1.473 55 E HN -0.133 nan 8.360 nan 0.000 0.388 56 V N 2.891 122.805 119.914 -0.000 0.000 2.567 56 V HA 0.368 4.489 4.120 0.002 0.000 0.289 56 V C 0.472 176.565 176.094 -0.002 0.000 1.049 56 V CA -0.206 62.092 62.300 -0.004 0.000 0.969 56 V CB 1.764 33.583 31.823 -0.007 0.000 0.995 56 V HN 0.739 nan 8.190 nan 0.000 0.471 57 T N 2.732 117.282 114.554 -0.006 0.000 2.867 57 T HA 0.828 5.178 4.350 0.002 0.000 0.282 57 T C -0.752 173.943 174.700 -0.009 0.000 1.000 57 T CA -0.536 61.561 62.100 -0.005 0.000 1.042 57 T CB 1.671 70.536 68.868 -0.006 0.000 0.973 57 T HN 0.392 nan 8.240 nan 0.000 0.465 58 V N 1.489 121.399 119.914 -0.006 0.000 3.206 58 V HA 0.678 4.799 4.120 0.002 0.000 0.305 58 V C -0.948 175.141 176.094 -0.009 0.000 1.257 58 V CA -1.234 61.059 62.300 -0.012 0.000 1.057 58 V CB 2.576 34.394 31.823 -0.008 0.000 1.075 58 V HN 1.121 nan 8.190 nan 0.000 0.443 59 K N 1.280 121.670 120.400 -0.017 0.000 2.376 59 K HA 0.619 4.940 4.320 0.002 0.000 0.257 59 K C -0.050 176.542 176.600 -0.014 0.000 0.939 59 K CA -0.270 56.008 56.287 -0.014 0.000 0.809 59 K CB 1.920 34.407 32.500 -0.021 0.000 1.121 59 K HN 0.984 nan 8.250 nan 0.000 0.425 60 T N -0.026 114.527 114.554 -0.002 0.000 2.689 60 T HA 0.184 4.535 4.350 0.002 0.000 0.308 60 T C -0.035 174.658 174.700 -0.012 0.000 1.021 60 T CA -0.268 61.832 62.100 -0.000 0.000 0.973 60 T CB 0.411 69.284 68.868 0.008 0.000 1.113 60 T HN 0.657 nan 8.240 nan 0.000 0.522 61 D N -0.633 119.759 120.400 -0.013 0.000 2.849 61 D HA 0.335 4.976 4.640 0.002 0.000 0.314 61 D C 0.086 176.380 176.300 -0.011 0.000 1.210 61 D CA -0.612 53.380 54.000 -0.014 0.000 0.756 61 D CB 0.725 41.513 40.800 -0.020 0.000 1.222 61 D HN 0.743 nan 8.370 nan 0.000 0.521 62 K N -0.407 119.986 120.400 -0.012 0.000 2.026 62 K HA -0.065 4.256 4.320 0.002 0.000 0.125 62 K C 0.019 176.619 176.600 0.000 0.000 2.119 62 K CA 0.537 56.817 56.287 -0.011 0.000 1.133 62 K CB 0.434 32.908 32.500 -0.042 0.000 2.262 62 K HN 0.165 nan 8.250 nan 0.000 0.449 63 T N -0.220 114.335 114.554 0.001 0.000 3.672 63 T HA 0.061 4.412 4.350 0.002 0.000 0.296 63 T C -0.228 174.483 174.700 0.019 0.000 0.979 63 T CA -0.482 61.632 62.100 0.023 0.000 1.013 63 T CB 0.158 69.056 68.868 0.050 0.000 1.184 63 T HN 0.226 nan 8.240 nan 0.000 0.477 64 Q N 0.938 120.743 119.800 0.008 0.000 3.749 64 Q HA -0.156 4.185 4.340 0.002 0.000 0.365 64 Q C -0.174 175.832 176.000 0.010 0.000 1.173 64 Q CA 0.646 56.452 55.803 0.005 0.000 1.290 64 Q CB -0.767 27.970 28.738 -0.001 0.000 1.072 64 Q HN 0.732 nan 8.270 nan 0.000 0.459 65 E N 1.896 122.105 120.200 0.015 0.000 2.179 65 E HA 0.266 4.617 4.350 0.002 0.000 0.275 65 E C -1.063 175.546 176.600 0.013 0.000 0.945 65 E CA -0.656 55.755 56.400 0.019 0.000 0.792 65 E CB 1.596 31.314 29.700 0.031 0.000 1.125 65 E HN 0.346 nan 8.360 nan 0.000 0.397 66 T N 4.848 119.408 114.554 0.010 0.000 2.729 66 T HA 0.371 4.722 4.350 0.002 0.000 0.296 66 T C -0.368 174.338 174.700 0.010 0.000 0.928 66 T CA -0.314 61.789 62.100 0.006 0.000 1.045 66 T CB 0.207 69.076 68.868 0.002 0.000 0.902 66 T HN 0.353 nan 8.240 nan 0.000 0.500 67 R N 2.016 122.523 120.500 0.012 0.000 2.832 67 R HA 0.674 5.015 4.340 0.002 0.000 0.271 67 R C -1.001 175.306 176.300 0.011 0.000 0.996 67 R CA -0.940 55.169 56.100 0.015 0.000 0.977 67 R CB 1.823 32.137 30.300 0.023 0.000 1.168 67 R HN 0.293 nan 8.270 nan 0.000 0.482 68 V N 3.088 123.009 119.914 0.011 0.000 2.257 68 V HA 0.201 4.322 4.120 0.002 0.000 0.269 68 V C -0.113 175.988 176.094 0.011 0.000 1.040 68 V CA -0.478 61.827 62.300 0.008 0.000 0.813 68 V CB 1.124 32.950 31.823 0.005 0.000 1.065 68 V HN 0.451 nan 8.190 nan 0.000 0.457 69 V N 4.467 124.390 119.914 0.015 0.000 2.997 69 V HA 0.428 4.549 4.120 0.002 0.000 0.311 69 V C 0.637 176.741 176.094 0.017 0.000 1.066 69 V CA -0.844 61.469 62.300 0.021 0.000 1.039 69 V CB 1.892 33.735 31.823 0.033 0.000 1.081 69 V HN 0.685 nan 8.190 nan 0.000 0.467 70 K N 0.860 121.272 120.400 0.020 0.000 2.440 70 K HA 0.348 4.669 4.320 0.002 0.000 0.252 70 K C 0.916 177.525 176.600 0.015 0.000 1.044 70 K CA -0.594 55.702 56.287 0.016 0.000 0.962 70 K CB 0.570 33.080 32.500 0.017 0.000 1.269 70 K HN 0.425 nan 8.250 nan 0.000 0.505 71 K N 0.646 121.053 120.400 0.011 0.000 2.067 71 K HA -0.075 4.246 4.320 0.002 0.000 0.203 71 K C 0.973 177.579 176.600 0.010 0.000 1.048 71 K CA 0.882 57.173 56.287 0.006 0.000 0.954 71 K CB 0.093 32.594 32.500 0.002 0.000 0.737 71 K HN 0.432 nan 8.250 nan 0.000 0.444 72 D N 1.204 121.613 120.400 0.016 0.000 2.504 72 D HA -0.047 4.594 4.640 0.002 0.000 0.243 72 D C -0.201 176.122 176.300 0.038 0.000 1.203 72 D CA 0.602 54.615 54.000 0.021 0.000 0.847 72 D CB 0.056 40.868 40.800 0.021 0.000 0.973 72 D HN 0.120 nan 8.370 nan 0.000 0.490 73 D N -0.306 120.120 120.400 0.044 0.000 2.510 73 D HA 0.073 4.713 4.640 0.002 0.000 0.234 73 D C 0.854 177.204 176.300 0.085 0.000 1.178 73 D CA -0.131 53.916 54.000 0.078 0.000 0.816 73 D CB 1.199 42.042 40.800 0.072 0.000 1.143 73 D HN 0.413 nan 8.370 nan 0.000 0.526 74 I N 0.044 120.639 120.570 0.042 0.000 2.294 74 I HA 0.488 4.659 4.170 0.002 0.000 0.295 74 I C 0.486 176.602 176.117 -0.000 0.000 1.098 74 I CA -0.527 60.787 61.300 0.023 0.000 1.277 74 I CB 0.818 38.809 38.000 -0.015 0.000 1.434 74 I HN -0.287 nan 8.210 nan 0.000 0.498 75 G N 5.978 114.812 108.800 0.055 0.000 2.333 75 G HA2 0.288 4.249 3.960 0.002 0.000 0.290 75 G HA3 0.288 4.249 3.960 0.002 0.000 0.290 75 G C -0.217 174.638 174.900 -0.075 0.000 1.150 75 G CA -0.572 44.550 45.100 0.037 0.000 0.895 75 G HN 0.795 nan 8.290 nan 0.000 0.444 76 Q N 1.861 121.458 119.800 -0.339 0.000 2.262 76 Q HA 0.106 4.447 4.340 0.002 0.000 0.272 76 Q C 0.585 176.229 176.000 -0.595 0.000 1.076 76 Q CA 0.049 55.436 55.803 -0.692 0.000 0.905 76 Q CB 1.267 29.116 28.738 -1.481 0.000 1.182 76 Q HN 0.602 nan 8.270 nan 0.000 0.390 77 R N 2.557 122.780 120.500 -0.461 0.000 2.531 77 R HA 0.122 4.463 4.340 0.002 0.000 0.273 77 R C -0.604 175.837 176.300 0.235 0.000 1.070 77 R CA -0.578 55.183 56.100 -0.565 0.000 1.112 77 R CB 0.654 30.143 30.300 -1.352 0.000 1.049 77 R HN 0.510 nan 8.270 nan 0.000 0.508 78 N N 4.501 123.358 118.700 0.260 0.000 2.520 78 N HA 0.194 4.935 4.740 0.002 0.000 0.273 78 N C -2.347 173.057 175.510 -0.177 0.000 1.155 78 N CA -1.329 51.761 53.050 0.067 0.000 0.967 78 N CB 0.812 39.245 38.487 -0.088 0.000 1.092 78 N HN 0.445 nan 8.380 nan 0.000 0.457 79 P HA 0.075 nan 4.420 nan 0.000 0.269 79 P C -1.913 175.191 177.300 -0.326 0.000 1.215 79 P CA -0.992 61.603 63.100 -0.841 0.000 0.780 79 P CB 0.488 32.006 31.700 -0.303 0.000 0.898 80 P HA -0.246 nan 4.420 nan 0.000 0.222 80 P C 1.582 178.824 177.300 -0.096 0.000 1.159 80 P CA 2.278 65.273 63.100 -0.176 0.000 0.920 80 P CB -0.246 31.358 31.700 -0.159 0.000 0.793 81 K N -1.473 118.815 120.400 -0.188 0.000 2.374 81 K HA -0.185 4.136 4.320 0.002 0.000 0.202 81 K C 1.032 177.358 176.600 -0.456 0.000 1.044 81 K CA 1.253 57.322 56.287 -0.363 0.000 0.933 81 K CB -0.482 31.698 32.500 -0.534 0.000 0.745 81 K HN 0.180 nan 8.250 nan 0.000 0.474 82 F N 0.910 120.809 119.950 -0.085 0.000 2.695 82 F HA 0.160 4.688 4.527 0.001 0.000 0.303 82 F C 0.700 176.503 175.800 0.005 0.000 1.091 82 F CA -0.465 57.515 58.000 -0.033 0.000 1.300 82 F CB 0.248 39.239 39.000 -0.015 0.000 1.071 82 F HN -0.183 nan 8.300 nan 0.000 0.578 83 E N 0.898 121.181 120.200 0.138 0.000 2.422 83 E HA -0.021 4.330 4.350 0.002 0.000 0.260 83 E C 1.236 177.855 176.600 0.032 0.000 1.108 83 E CA 0.205 56.673 56.400 0.114 0.000 0.943 83 E CB 0.217 29.966 29.700 0.082 0.000 0.961 83 E HN 0.121 nan 8.360 nan 0.000 0.443 84 M N -0.574 119.030 119.600 0.006 0.000 2.714 84 M HA -0.326 4.155 4.480 0.002 0.000 0.175 84 M C 0.265 176.535 176.300 -0.049 0.000 0.618 84 M CA 0.732 55.999 55.300 -0.054 0.000 0.555 84 M CB -2.707 29.822 32.600 -0.117 0.000 2.027 84 M HN 0.640 nan 8.290 nan 0.000 0.556 85 N N 0.317 119.033 118.700 0.027 0.000 2.294 85 N HA -0.003 4.738 4.740 0.002 0.000 0.248 85 N C 1.126 176.661 175.510 0.042 0.000 1.242 85 N CA 0.278 53.359 53.050 0.051 0.000 0.848 85 N CB 0.480 39.063 38.487 0.161 0.000 1.084 85 N HN 0.364 nan 8.380 nan 0.000 0.457 86 M N 0.571 120.199 119.600 0.046 0.000 2.334 86 M HA 0.004 4.484 4.480 0.002 0.000 0.266 86 M C 0.050 176.462 176.300 0.187 0.000 1.082 86 M CA 0.746 56.099 55.300 0.088 0.000 1.141 86 M CB 0.133 32.786 32.600 0.089 0.000 1.380 86 M HN 0.442 nan 8.290 nan 0.000 0.440 87 D N 0.181 120.689 120.400 0.179 0.000 2.440 87 D HA 0.257 4.898 4.640 0.002 0.000 0.252 87 D C 0.665 177.070 176.300 0.176 0.000 1.180 87 D CA -0.122 54.010 54.000 0.220 0.000 0.894 87 D CB 1.033 41.940 40.800 0.178 0.000 1.111 87 D HN 0.134 nan 8.370 nan 0.000 0.544 88 M N 1.909 121.613 119.600 0.173 0.000 2.331 88 M HA -0.195 4.286 4.480 0.002 0.000 0.260 88 M C 1.954 178.336 176.300 0.136 0.000 1.072 88 M CA 1.221 56.609 55.300 0.147 0.000 1.065 88 M CB -0.205 32.473 32.600 0.129 0.000 1.392 88 M HN 0.430 nan 8.290 nan 0.000 0.427 89 A N 1.005 123.909 122.820 0.140 0.000 2.032 89 A HA -0.170 4.151 4.320 0.002 0.000 0.221 89 A C 1.832 179.480 177.584 0.106 0.000 1.165 89 A CA 1.712 53.816 52.037 0.112 0.000 0.645 89 A CB -0.619 18.436 19.000 0.091 0.000 0.807 89 A HN 0.541 nan 8.150 nan 0.000 0.453 90 N N -0.176 118.603 118.700 0.132 0.000 2.424 90 N HA 0.102 4.843 4.740 0.002 0.000 0.178 90 N C 0.412 176.057 175.510 0.225 0.000 1.060 90 N CA 0.089 53.244 53.050 0.175 0.000 0.901 90 N CB -0.241 38.358 38.487 0.186 0.000 0.979 90 N HN 0.458 nan 8.380 nan 0.000 0.451 91 L N 0.462 121.766 121.223 0.135 0.000 2.529 91 L HA -0.060 4.281 4.340 0.002 0.000 0.287 91 L C 1.846 178.589 176.870 -0.212 0.000 1.241 91 L CA 0.410 55.206 54.840 -0.074 0.000 0.857 91 L CB 0.246 42.300 42.059 -0.008 0.000 1.113 91 L HN 0.022 nan 8.230 nan 0.000 0.504 92 T N 1.521 115.693 114.554 -0.638 0.000 3.037 92 T HA 0.206 4.557 4.350 0.002 0.000 0.251 92 T C 0.306 174.762 174.700 -0.407 0.000 1.079 92 T CA 0.199 61.990 62.100 -0.515 0.000 1.067 92 T CB -0.048 68.350 68.868 -0.783 0.000 0.948 92 T HN 0.305 nan 8.240 nan 0.000 0.496 93 F N 1.730 121.574 119.950 -0.177 0.000 2.366 93 F HA 0.458 4.986 4.527 0.001 0.000 0.366 93 F C 0.002 175.788 175.800 -0.023 0.000 1.096 93 F CA -1.027 56.936 58.000 -0.061 0.000 1.060 93 F CB 1.360 40.343 39.000 -0.029 0.000 1.282 93 F HN -0.104 nan 8.300 nan 0.000 0.450 94 L N 4.173 125.500 121.223 0.173 0.000 2.990 94 L HA 0.174 4.515 4.340 0.002 0.000 0.231 94 L C -0.211 176.696 176.870 0.061 0.000 1.341 94 L CA -0.540 54.360 54.840 0.099 0.000 1.208 94 L CB -1.108 40.999 42.059 0.079 0.000 1.571 94 L HN 0.558 nan 8.230 nan 0.000 0.453 95 N N -2.178 116.552 118.700 0.049 0.000 2.476 95 N HA 0.116 4.857 4.740 0.002 0.000 0.275 95 N C 0.698 176.120 175.510 -0.147 0.000 1.190 95 N CA -0.776 52.248 53.050 -0.042 0.000 0.977 95 N CB 0.904 39.356 38.487 -0.058 0.000 1.200 95 N HN 0.051 nan 8.380 nan 0.000 0.515 96 E N 0.091 120.158 120.200 -0.220 0.000 2.035 96 E HA -0.334 4.017 4.350 0.002 0.000 0.204 96 E C 1.840 178.115 176.600 -0.542 0.000 1.025 96 E CA 2.206 58.421 56.400 -0.309 0.000 0.835 96 E CB -0.449 29.081 29.700 -0.284 0.000 0.764 96 E HN 0.700 nan 8.360 nan 0.000 0.457 97 A N 0.541 122.761 122.820 -1.000 0.000 1.894 97 A HA -0.337 3.984 4.320 0.002 0.000 0.220 97 A C 2.370 179.395 177.584 -0.933 0.000 1.237 97 A CA 2.663 53.949 52.037 -1.252 0.000 0.660 97 A CB -1.106 17.211 19.000 -1.139 0.000 0.835 97 A HN 0.305 nan 8.150 nan 0.000 0.461 98 S N -0.408 114.912 115.700 -0.632 0.000 2.370 98 S HA -0.129 4.342 4.470 0.002 0.000 0.226 98 S C 1.763 176.312 174.600 -0.085 0.000 1.033 98 S CA 1.458 59.539 58.200 -0.197 0.000 1.011 98 S CB -0.406 62.907 63.200 0.188 0.000 0.852 98 S HN 0.483 nan 8.310 nan 0.000 0.457 99 I N 1.206 121.707 120.570 -0.116 0.000 2.493 99 I HA -0.082 4.089 4.170 0.002 0.000 0.254 99 I C 2.173 178.253 176.117 -0.063 0.000 1.160 99 I CA 0.799 62.069 61.300 -0.050 0.000 1.445 99 I CB -1.261 36.709 38.000 -0.050 0.000 1.086 99 I HN 0.291 nan 8.210 nan 0.000 0.433 100 L N 0.689 121.829 121.223 -0.138 0.000 2.005 100 L HA -0.207 4.134 4.340 0.002 0.000 0.207 100 L C 2.603 179.444 176.870 -0.047 0.000 1.072 100 L CA 1.984 56.770 54.840 -0.091 0.000 0.744 100 L CB -1.132 40.863 42.059 -0.107 0.000 0.895 100 L HN 0.179 nan 8.230 nan 0.000 0.433 101 H N 0.320 119.246 119.070 -0.240 0.000 2.287 101 H HA -0.263 4.294 4.556 0.002 0.000 0.292 101 H C 2.254 177.602 175.328 0.032 0.000 1.068 101 H CA 2.495 58.472 56.048 -0.118 0.000 1.192 101 H CB -0.726 28.981 29.762 -0.092 0.000 1.360 101 H HN 0.555 nan 8.280 nan 0.000 0.516 102 N N -0.929 117.794 118.700 0.039 0.000 2.144 102 N HA -0.212 4.529 4.740 0.002 0.000 0.195 102 N C 2.007 177.512 175.510 -0.010 0.000 1.006 102 N CA 1.251 54.303 53.050 0.003 0.000 0.880 102 N CB -0.134 38.409 38.487 0.092 0.000 1.018 102 N HN 0.318 nan 8.380 nan 0.000 0.443 103 L N 0.232 121.457 121.223 0.003 0.000 2.049 103 L HA -0.095 4.246 4.340 0.002 0.000 0.203 103 L C 2.672 179.572 176.870 0.050 0.000 1.074 103 L CA 0.722 55.574 54.840 0.020 0.000 0.749 103 L CB -0.443 41.614 42.059 -0.004 0.000 0.907 103 L HN 0.209 nan 8.230 nan 0.000 0.439 104 R N 0.370 120.891 120.500 0.036 0.000 2.127 104 R HA -0.231 4.110 4.340 0.002 0.000 0.228 104 R C 2.509 178.859 176.300 0.083 0.000 1.125 104 R CA 2.514 58.668 56.100 0.090 0.000 0.904 104 R CB -0.574 29.773 30.300 0.079 0.000 0.831 104 R HN 0.452 nan 8.270 nan 0.000 0.431 105 S N 0.526 116.200 115.700 -0.044 0.000 2.393 105 S HA -0.275 4.196 4.470 0.002 0.000 0.234 105 S C 2.065 176.694 174.600 0.050 0.000 1.064 105 S CA 1.850 60.015 58.200 -0.059 0.000 1.088 105 S CB -0.671 62.353 63.200 -0.294 0.000 0.939 105 S HN 0.475 nan 8.310 nan 0.000 0.448 106 R N -0.704 119.844 120.500 0.081 0.000 2.092 106 R HA 0.005 4.346 4.340 0.002 0.000 0.231 106 R C 2.335 178.805 176.300 0.284 0.000 1.119 106 R CA 1.416 57.641 56.100 0.209 0.000 0.970 106 R CB -0.454 29.945 30.300 0.165 0.000 0.864 106 R HN 0.576 nan 8.270 nan 0.000 0.440 107 Y N 1.627 121.972 120.300 0.076 0.000 2.263 107 Y HA -0.094 4.457 4.550 0.002 0.000 0.292 107 Y C 1.414 177.335 175.900 0.035 0.000 1.130 107 Y CA 1.294 59.421 58.100 0.045 0.000 1.179 107 Y CB 0.074 38.545 38.460 0.019 0.000 0.998 107 Y HN -0.005 nan 8.280 nan 0.000 0.532 108 E N -1.015 119.196 120.200 0.018 0.000 2.511 108 E HA -0.020 4.331 4.350 0.002 0.000 0.196 108 E C 0.969 177.531 176.600 -0.064 0.000 1.066 108 E CA 0.500 56.857 56.400 -0.071 0.000 0.871 108 E CB 0.025 29.738 29.700 0.022 0.000 0.863 108 E HN 0.178 nan 8.360 nan 0.000 0.520 109 S N -0.988 114.700 115.700 -0.019 0.000 2.663 109 S HA 0.233 4.704 4.470 0.002 0.000 0.243 109 S C 0.927 175.341 174.600 -0.310 0.000 1.009 109 S CA 0.325 58.517 58.200 -0.014 0.000 0.988 109 S CB 1.237 64.590 63.200 0.255 0.000 0.896 109 S HN 0.460 nan 8.310 nan 0.000 0.502 110 G N 1.365 109.971 108.800 -0.322 0.000 2.205 110 G HA2 -0.270 3.691 3.960 0.002 0.000 0.261 110 G HA3 -0.270 3.691 3.960 0.002 0.000 0.261 110 G C -0.045 174.618 174.900 -0.395 0.000 0.980 110 G CA -0.145 44.721 45.100 -0.390 0.000 0.632 110 G HN 0.497 nan 8.290 nan 0.000 0.533 111 F N 0.881 120.866 119.950 0.059 0.000 2.411 111 F HA 0.579 5.107 4.527 0.001 0.000 0.350 111 F C 1.796 177.668 175.800 0.120 0.000 1.114 111 F CA -0.430 57.625 58.000 0.091 0.000 1.135 111 F CB 0.900 39.938 39.000 0.064 0.000 1.120 111 F HN 0.126 nan 8.300 nan 0.000 0.495 112 I N -0.267 120.406 120.570 0.171 0.000 2.810 112 I HA 0.164 4.335 4.170 0.002 0.000 0.262 112 I C 0.007 176.051 176.117 -0.123 0.000 1.131 112 I CA 0.171 61.456 61.300 -0.027 0.000 1.453 112 I CB -0.176 37.622 38.000 -0.336 0.000 1.161 112 I HN 0.271 nan 8.210 nan 0.000 0.444 113 Y N 3.036 123.338 120.300 0.003 0.000 2.402 113 Y HA 0.390 4.941 4.550 0.002 0.000 0.333 113 Y C -0.189 175.638 175.900 -0.122 0.000 1.076 113 Y CA -0.107 57.928 58.100 -0.107 0.000 1.299 113 Y CB 0.919 39.282 38.460 -0.162 0.000 1.197 113 Y HN 0.109 nan 8.280 nan 0.000 0.517 114 T N 2.953 117.504 114.554 -0.006 0.000 3.041 114 T HA 0.297 4.648 4.350 0.002 0.000 0.321 114 T C -1.377 173.277 174.700 -0.077 0.000 1.184 114 T CA -1.027 61.043 62.100 -0.050 0.000 1.050 114 T CB 0.592 69.481 68.868 0.034 0.000 1.159 114 T HN 0.284 nan 8.240 nan 0.000 0.469 115 Y N 0.894 121.281 120.300 0.145 0.000 2.334 115 Y HA 0.600 5.151 4.550 0.002 0.000 0.328 115 Y C 0.970 176.964 175.900 0.157 0.000 1.130 115 Y CA -0.569 57.628 58.100 0.161 0.000 1.163 115 Y CB 1.733 40.275 38.460 0.136 0.000 1.207 115 Y HN 0.591 nan 8.280 nan 0.000 0.471 116 S N 2.282 118.213 115.700 0.386 0.000 2.386 116 S HA 0.544 5.015 4.470 0.002 0.000 0.152 116 S C -0.005 174.799 174.600 0.339 0.000 1.511 116 S CA 0.200 58.584 58.200 0.308 0.000 1.246 116 S CB -0.586 62.770 63.200 0.259 0.000 1.338 116 S HN 1.273 nan 8.310 nan 0.000 0.409 117 G N 3.025 111.956 108.800 0.217 0.000 2.499 117 G HA2 -0.214 3.746 3.960 0.002 0.000 0.232 117 G HA3 -0.214 3.746 3.960 0.002 0.000 0.232 117 G C 0.490 175.440 174.900 0.083 0.000 1.251 117 G CA -0.135 45.027 45.100 0.104 0.000 0.917 117 G HN 0.687 nan 8.290 nan 0.000 0.580 118 L N 0.364 121.551 121.223 -0.060 0.000 2.353 118 L HA 0.145 4.486 4.340 0.002 0.000 0.220 118 L C 1.594 178.565 176.870 0.169 0.000 1.133 118 L CA 0.501 55.338 54.840 -0.005 0.000 0.798 118 L CB -0.485 41.486 42.059 -0.146 0.000 0.922 118 L HN 0.294 nan 8.230 nan 0.000 0.445 119 F N -0.652 119.478 119.950 0.299 0.000 2.518 119 F HA -0.010 4.517 4.527 0.002 0.000 0.359 119 F C 0.760 176.754 175.800 0.324 0.000 1.118 119 F CA -0.486 57.676 58.000 0.270 0.000 1.287 119 F CB 0.579 39.657 39.000 0.129 0.000 1.132 119 F HN -0.078 nan 8.300 nan 0.000 0.587 120 C N 7.318 126.923 119.300 0.507 0.000 2.409 120 C HA 0.547 5.008 4.460 0.002 0.000 0.297 120 C C 0.100 175.201 174.990 0.186 0.000 1.083 120 C CA -0.988 58.207 59.018 0.296 0.000 1.515 120 C CB -1.856 26.049 27.740 0.276 0.000 1.869 120 C HN 0.674 nan 8.230 nan 0.000 0.413 121 I N 4.407 125.044 120.570 0.112 0.000 2.779 121 I HA 0.473 4.644 4.170 0.002 0.000 0.285 121 I C 0.719 176.863 176.117 0.045 0.000 1.134 121 I CA 0.386 61.711 61.300 0.040 0.000 1.398 121 I CB 0.985 38.981 38.000 -0.008 0.000 1.404 121 I HN 0.765 nan 8.210 nan 0.000 0.587 122 A N 7.029 129.827 122.820 -0.037 0.000 2.437 122 A HA 0.716 5.037 4.320 0.002 0.000 0.293 122 A C -0.866 176.577 177.584 -0.234 0.000 1.038 122 A CA -0.455 51.481 52.037 -0.169 0.000 0.708 122 A CB 0.960 19.894 19.000 -0.110 0.000 1.251 122 A HN 0.573 nan 8.150 nan 0.000 0.409 123 I N 1.781 122.161 120.570 -0.317 0.000 2.525 123 I HA 0.287 4.458 4.170 0.002 0.000 0.301 123 I C 0.052 175.931 176.117 -0.396 0.000 0.992 123 I CA -1.005 60.059 61.300 -0.394 0.000 1.162 123 I CB 1.813 39.455 38.000 -0.596 0.000 1.332 123 I HN 0.704 nan 8.210 nan 0.000 0.458 124 N N 7.083 125.528 118.700 -0.425 0.000 2.470 124 N HA 0.154 4.895 4.740 0.002 0.000 0.268 124 N C -1.784 173.531 175.510 -0.325 0.000 1.136 124 N CA -1.866 50.904 53.050 -0.466 0.000 0.961 124 N CB 1.324 39.354 38.487 -0.761 0.000 1.067 124 N HN 0.325 nan 8.380 nan 0.000 0.468 125 P HA -0.019 nan 4.420 nan 0.000 0.230 125 P C -0.578 176.810 177.300 0.147 0.000 1.168 125 P CA 0.465 63.647 63.100 0.137 0.000 0.793 125 P CB 0.204 31.905 31.700 0.001 0.000 0.851 126 Y N 0.564 120.893 120.300 0.048 0.000 3.178 126 Y HA -0.269 4.282 4.550 0.002 0.000 0.200 126 Y C 0.585 176.483 175.900 -0.004 0.000 1.427 126 Y CA 0.278 58.392 58.100 0.023 0.000 1.250 126 Y CB -1.874 36.612 38.460 0.044 0.000 1.421 126 Y HN 0.324 nan 8.280 nan 0.000 0.506 127 R N -1.211 119.332 120.500 0.073 0.000 4.106 127 R HA 0.373 4.714 4.340 0.002 0.000 0.252 127 R C -1.456 174.819 176.300 -0.042 0.000 0.977 127 R CA -1.252 54.858 56.100 0.016 0.000 1.118 127 R CB 0.753 31.051 30.300 -0.003 0.000 1.237 127 R HN 0.134 nan 8.270 nan 0.000 0.587 128 R N 2.322 122.796 120.500 -0.042 0.000 2.537 128 R HA 0.335 4.676 4.340 0.002 0.000 0.280 128 R C -0.223 175.989 176.300 -0.146 0.000 1.058 128 R CA -0.044 56.022 56.100 -0.056 0.000 1.057 128 R CB 0.345 30.628 30.300 -0.029 0.000 0.973 128 R HN 0.418 nan 8.270 nan 0.000 0.438 129 L N 3.547 124.663 121.223 -0.178 0.000 2.333 129 L HA 0.364 4.705 4.340 0.002 0.000 0.263 129 L C -1.105 175.628 176.870 -0.229 0.000 1.014 129 L CA -2.096 52.520 54.840 -0.373 0.000 0.820 129 L CB 2.054 43.809 42.059 -0.506 0.000 1.352 129 L HN 0.442 nan 8.230 nan 0.000 0.421 130 P HA -0.175 nan 4.420 nan 0.000 0.213 130 P C 1.487 178.753 177.300 -0.057 0.000 1.170 130 P CA 1.508 64.563 63.100 -0.075 0.000 0.902 130 P CB 0.337 32.031 31.700 -0.011 0.000 0.789 131 I N -2.309 118.173 120.570 -0.146 0.000 3.083 131 I HA -0.312 3.859 4.170 0.002 0.000 0.226 131 I C 0.779 176.678 176.117 -0.364 0.000 0.726 131 I CA 1.761 62.871 61.300 -0.317 0.000 1.272 131 I CB -1.483 36.076 38.000 -0.735 0.000 1.002 131 I HN 0.062 nan 8.210 nan 0.000 0.375 132 Y N 0.785 121.177 120.300 0.154 0.000 2.764 132 Y HA 0.310 4.861 4.550 0.002 0.000 0.350 132 Y C 0.771 176.846 175.900 0.292 0.000 0.982 132 Y CA -0.530 57.745 58.100 0.291 0.000 1.431 132 Y CB 0.235 38.850 38.460 0.259 0.000 1.326 132 Y HN -0.070 nan 8.280 nan 0.000 0.550 133 T N 0.356 115.099 114.554 0.314 0.000 2.897 133 T HA 0.021 4.372 4.350 0.002 0.000 0.294 133 T C 1.139 175.951 174.700 0.187 0.000 1.004 133 T CA -0.419 61.809 62.100 0.214 0.000 1.106 133 T CB 1.199 70.158 68.868 0.152 0.000 0.949 133 T HN 0.481 nan 8.240 nan 0.000 0.520 134 Q N 1.388 121.251 119.800 0.106 0.000 2.541 134 Q HA -0.022 4.319 4.340 0.002 0.000 0.215 134 Q C 2.101 178.125 176.000 0.039 0.000 0.977 134 Q CA 0.507 56.330 55.803 0.034 0.000 0.934 134 Q CB -0.049 28.688 28.738 -0.001 0.000 0.988 134 Q HN 0.937 nan 8.270 nan 0.000 0.521 135 G N 0.160 109.004 108.800 0.074 0.000 2.441 135 G HA2 -0.100 3.861 3.960 0.002 0.000 0.212 135 G HA3 -0.100 3.861 3.960 0.002 0.000 0.212 135 G C 1.321 176.280 174.900 0.097 0.000 1.164 135 G CA -0.104 45.036 45.100 0.067 0.000 0.811 135 G HN 0.160 nan 8.290 nan 0.000 0.535 136 L N 0.594 121.908 121.223 0.152 0.000 2.046 136 L HA -0.093 4.247 4.340 0.002 0.000 0.208 136 L C 2.980 180.021 176.870 0.286 0.000 1.077 136 L CA 0.448 55.424 54.840 0.228 0.000 0.747 136 L CB -0.528 41.697 42.059 0.277 0.000 0.896 136 L HN 0.051 nan 8.230 nan 0.000 0.432 137 V N 0.157 120.204 119.914 0.221 0.000 2.250 137 V HA -0.399 3.722 4.120 0.002 0.000 0.253 137 V C 2.163 178.331 176.094 0.122 0.000 1.065 137 V CA 2.262 64.638 62.300 0.126 0.000 1.039 137 V CB -0.597 31.144 31.823 -0.137 0.000 0.647 137 V HN 0.521 nan 8.190 nan 0.000 0.446 138 D N -0.527 119.911 120.400 0.063 0.000 2.144 138 D HA -0.165 4.476 4.640 0.002 0.000 0.199 138 D C 2.207 178.547 176.300 0.066 0.000 0.984 138 D CA 1.128 55.154 54.000 0.043 0.000 0.834 138 D CB -0.205 40.606 40.800 0.018 0.000 0.955 138 D HN 0.477 nan 8.370 nan 0.000 0.465 139 K N -0.078 120.373 120.400 0.086 0.000 2.063 139 K HA -0.164 4.157 4.320 0.002 0.000 0.208 139 K C 1.701 178.265 176.600 -0.060 0.000 1.048 139 K CA 1.095 57.382 56.287 -0.001 0.000 0.928 139 K CB -0.129 32.365 32.500 -0.009 0.000 0.713 139 K HN 0.256 nan 8.250 nan 0.000 0.442 140 Y N 0.020 120.350 120.300 0.050 0.000 2.466 140 Y HA 0.048 4.599 4.550 0.002 0.000 0.272 140 Y C 1.875 177.829 175.900 0.090 0.000 1.169 140 Y CA -0.226 57.910 58.100 0.060 0.000 1.285 140 Y CB 0.096 38.597 38.460 0.068 0.000 1.078 140 Y HN -0.043 nan 8.280 nan 0.000 0.523 141 R N 1.270 121.892 120.500 0.204 0.000 2.206 141 R HA -0.205 4.136 4.340 0.002 0.000 0.240 141 R C 1.874 178.265 176.300 0.151 0.000 1.117 141 R CA 2.201 58.398 56.100 0.162 0.000 0.915 141 R CB -1.198 29.149 30.300 0.077 0.000 0.888 141 R HN 0.323 nan 8.270 nan 0.000 0.432 142 G N -0.211 108.645 108.800 0.092 0.000 3.735 142 G HA2 0.168 4.129 3.960 0.002 0.000 0.283 142 G HA3 0.168 4.129 3.960 0.002 0.000 0.283 142 G C -0.751 174.172 174.900 0.039 0.000 1.007 142 G CA -0.489 44.655 45.100 0.074 0.000 0.821 142 G HN 0.183 nan 8.290 nan 0.000 0.505 143 K N 1.984 122.407 120.400 0.039 0.000 2.322 143 K HA 0.244 4.565 4.320 0.002 0.000 0.283 143 K C 0.425 177.037 176.600 0.020 0.000 1.042 143 K CA -0.453 55.839 56.287 0.008 0.000 0.958 143 K CB 1.238 33.720 32.500 -0.030 0.000 0.984 143 K HN 0.407 nan 8.250 nan 0.000 0.473 144 R N 2.191 122.687 120.500 -0.007 0.000 2.643 144 R HA 0.082 4.423 4.340 0.002 0.000 0.270 144 R C 0.872 177.177 176.300 0.007 0.000 1.061 144 R CA -0.406 55.689 56.100 -0.008 0.000 1.107 144 R CB 0.538 30.819 30.300 -0.031 0.000 0.999 144 R HN 0.616 nan 8.270 nan 0.000 0.460 145 R N 1.574 122.082 120.500 0.014 0.000 2.168 145 R HA -0.318 4.023 4.340 0.002 0.000 0.242 145 R C 2.251 178.533 176.300 -0.030 0.000 1.123 145 R CA 2.813 58.909 56.100 -0.007 0.000 0.928 145 R CB -0.874 29.364 30.300 -0.104 0.000 0.873 145 R HN 0.893 nan 8.270 nan 0.000 0.434 146 A N 0.683 123.466 122.820 -0.062 0.000 2.054 146 A HA -0.276 4.045 4.320 0.002 0.000 0.223 146 A C 1.876 179.449 177.584 -0.020 0.000 1.169 146 A CA 2.041 54.047 52.037 -0.052 0.000 0.655 146 A CB -0.571 18.395 19.000 -0.057 0.000 0.812 146 A HN 0.548 nan 8.150 nan 0.000 0.462 147 E N -1.602 118.585 120.200 -0.021 0.000 2.150 147 E HA -0.071 4.280 4.350 0.002 0.000 0.193 147 E C 0.327 176.900 176.600 -0.044 0.000 0.985 147 E CA 0.501 56.882 56.400 -0.032 0.000 0.814 147 E CB -0.043 29.630 29.700 -0.045 0.000 0.752 147 E HN 0.502 nan 8.360 nan 0.000 0.466 148 M N 0.050 119.633 119.600 -0.029 0.000 2.724 148 M HA 0.334 4.815 4.480 0.002 0.000 0.310 148 M C -2.235 174.136 176.300 0.118 0.000 1.217 148 M CA -2.747 52.513 55.300 -0.067 0.000 0.894 148 M CB 1.165 33.563 32.600 -0.337 0.000 1.719 148 M HN -0.229 nan 8.290 nan 0.000 0.479 149 P HA 0.146 nan 4.420 nan 0.000 0.293 149 P C -2.377 175.145 177.300 0.370 0.000 1.285 149 P CA -0.393 62.846 63.100 0.232 0.000 0.775 149 P CB -0.886 30.935 31.700 0.202 0.000 1.351 150 P HA -0.120 nan 4.420 nan 0.000 0.210 150 P C 0.029 177.343 177.300 0.024 0.000 1.141 150 P CA 1.064 64.197 63.100 0.056 0.000 0.757 150 P CB -0.361 31.240 31.700 -0.165 0.000 0.567 151 H N -2.681 116.036 119.070 -0.588 0.000 4.495 151 H HA -0.122 4.435 4.556 0.002 0.000 0.273 151 H C 0.491 175.121 175.328 -1.164 0.000 0.601 151 H CA -0.091 55.222 56.048 -1.225 0.000 0.743 151 H CB -0.775 28.571 29.762 -0.693 0.000 1.073 151 H HN 0.163 nan 8.280 nan 0.000 0.311 152 L N 5.012 125.449 121.223 -1.310 0.000 2.201 152 L HA 0.005 4.346 4.340 0.002 0.000 0.212 152 L C 2.276 179.084 176.870 -0.104 0.000 1.105 152 L CA 1.687 56.258 54.840 -0.449 0.000 0.775 152 L CB -0.391 41.560 42.059 -0.180 0.000 0.913 152 L HN 0.551 nan 8.230 nan 0.000 0.440 153 F N -0.914 118.979 119.950 -0.096 0.000 2.325 153 F HA -0.193 4.335 4.527 0.002 0.000 0.299 153 F C 2.614 178.100 175.800 -0.523 0.000 1.090 153 F CA 0.437 58.120 58.000 -0.530 0.000 1.392 153 F CB -0.352 38.296 39.000 -0.587 0.000 1.053 153 F HN 0.288 nan 8.300 nan 0.000 0.521 154 S N 1.297 116.923 115.700 -0.122 0.000 2.354 154 S HA -0.282 4.189 4.470 0.002 0.000 0.219 154 S C 1.889 176.500 174.600 0.018 0.000 1.035 154 S CA 1.221 59.466 58.200 0.076 0.000 1.037 154 S CB -1.152 62.203 63.200 0.258 0.000 0.956 154 S HN 0.364 nan 8.310 nan 0.000 0.428 155 I N 3.166 123.766 120.570 0.050 0.000 2.185 155 I HA -0.180 3.991 4.170 0.002 0.000 0.246 155 I C 2.401 178.462 176.117 -0.093 0.000 1.088 155 I CA 1.434 62.758 61.300 0.041 0.000 1.347 155 I CB -1.074 36.996 38.000 0.116 0.000 1.041 155 I HN 0.345 nan 8.210 nan 0.000 0.415 156 A N -0.350 122.376 122.820 -0.157 0.000 1.929 156 A HA -0.201 4.120 4.320 0.002 0.000 0.216 156 A C 2.215 179.687 177.584 -0.186 0.000 1.176 156 A CA 1.678 53.573 52.037 -0.238 0.000 0.628 156 A CB -0.999 17.662 19.000 -0.565 0.000 0.816 156 A HN 0.654 nan 8.150 nan 0.000 0.444 157 D N 0.059 120.265 120.400 -0.324 0.000 2.077 157 D HA -0.178 4.463 4.640 0.002 0.000 0.196 157 D C 1.430 177.794 176.300 0.106 0.000 0.986 157 D CA 1.374 55.324 54.000 -0.083 0.000 0.829 157 D CB -0.245 40.532 40.800 -0.038 0.000 0.983 157 D HN 0.337 nan 8.370 nan 0.000 0.453 158 N N 1.094 119.823 118.700 0.048 0.000 2.060 158 N HA -0.224 4.517 4.740 0.002 0.000 0.195 158 N C 2.007 177.581 175.510 0.108 0.000 1.028 158 N CA 1.540 54.635 53.050 0.074 0.000 0.861 158 N CB -0.661 37.900 38.487 0.123 0.000 1.029 158 N HN 0.267 nan 8.380 nan 0.000 0.428 159 A N 0.773 123.542 122.820 -0.086 0.000 1.940 159 A HA -0.267 4.054 4.320 0.002 0.000 0.221 159 A C 2.190 179.789 177.584 0.026 0.000 1.190 159 A CA 1.835 53.705 52.037 -0.278 0.000 0.647 159 A CB -1.135 17.704 19.000 -0.268 0.000 0.821 159 A HN 0.491 nan 8.150 nan 0.000 0.457 160 Y N 0.151 120.448 120.300 -0.005 0.000 2.153 160 Y HA -0.176 4.375 4.550 0.002 0.000 0.289 160 Y C 2.602 178.449 175.900 -0.087 0.000 1.127 160 Y CA 2.071 60.125 58.100 -0.076 0.000 1.131 160 Y CB -0.633 37.859 38.460 0.053 0.000 0.995 160 Y HN 0.461 nan 8.280 nan 0.000 0.505 161 Q N -1.029 118.755 119.800 -0.026 0.000 2.096 161 Q HA -0.302 4.039 4.340 0.002 0.000 0.208 161 Q C 2.110 177.972 176.000 -0.230 0.000 0.993 161 Q CA 2.432 58.131 55.803 -0.174 0.000 0.862 161 Q CB -0.633 28.014 28.738 -0.152 0.000 0.915 161 Q HN 0.622 nan 8.270 nan 0.000 0.416 162 Y N 0.314 120.542 120.300 -0.119 0.000 2.207 162 Y HA -0.290 4.261 4.550 0.002 0.000 0.287 162 Y C 2.473 178.261 175.900 -0.187 0.000 1.156 162 Y CA 1.415 59.470 58.100 -0.075 0.000 1.182 162 Y CB -0.172 38.318 38.460 0.050 0.000 0.979 162 Y HN 0.212 nan 8.280 nan 0.000 0.521 163 M N 0.057 119.568 119.600 -0.147 0.000 2.286 163 M HA -0.293 4.188 4.480 0.002 0.000 0.262 163 M C 2.016 178.041 176.300 -0.458 0.000 1.071 163 M CA 2.065 57.147 55.300 -0.363 0.000 1.091 163 M CB -0.601 31.708 32.600 -0.485 0.000 1.260 163 M HN 0.271 nan 8.290 nan 0.000 0.442 164 L N -0.301 120.630 121.223 -0.486 0.000 2.081 164 L HA -0.279 4.062 4.340 0.002 0.000 0.212 164 L C 2.593 179.313 176.870 -0.250 0.000 1.080 164 L CA 1.598 56.225 54.840 -0.355 0.000 0.754 164 L CB -1.088 40.751 42.059 -0.368 0.000 0.893 164 L HN 0.566 nan 8.230 nan 0.000 0.433 165 Q N -0.024 119.641 119.800 -0.225 0.000 1.916 165 Q HA -0.177 4.164 4.340 0.002 0.000 0.203 165 Q C 1.800 177.737 176.000 -0.107 0.000 0.983 165 Q CA 1.615 57.327 55.803 -0.151 0.000 0.846 165 Q CB -0.048 28.586 28.738 -0.174 0.000 0.909 165 Q HN 0.459 nan 8.270 nan 0.000 0.427 166 D N 0.049 120.418 120.400 -0.052 0.000 2.348 166 D HA -0.030 4.611 4.640 0.002 0.000 0.216 166 D C -0.287 175.939 176.300 -0.123 0.000 0.970 166 D CA 0.332 54.313 54.000 -0.031 0.000 0.889 166 D CB 0.134 40.976 40.800 0.069 0.000 0.912 166 D HN 0.191 nan 8.370 nan 0.000 0.524 167 R N 1.085 121.426 120.500 -0.266 0.000 3.076 167 R HA -0.175 4.166 4.340 0.002 0.000 0.261 167 R C -0.616 175.418 176.300 -0.444 0.000 0.930 167 R CA 0.560 56.364 56.100 -0.493 0.000 0.649 167 R CB -2.349 27.808 30.300 -0.239 0.000 1.350 167 R HN 0.479 nan 8.270 nan 0.000 0.453 168 E N -0.067 119.847 120.200 -0.476 0.000 2.481 168 E HA 0.212 4.563 4.350 0.002 0.000 0.301 168 E C -0.834 175.586 176.600 -0.301 0.000 0.948 168 E CA -1.167 55.068 56.400 -0.275 0.000 0.804 168 E CB 0.824 30.457 29.700 -0.110 0.000 1.265 168 E HN 0.132 nan 8.360 nan 0.000 0.406 169 N N 3.138 121.636 118.700 -0.337 0.000 2.121 169 N HA -0.099 4.641 4.740 0.002 0.000 0.260 169 N C -0.456 174.793 175.510 -0.436 0.000 1.229 169 N CA 0.655 53.314 53.050 -0.651 0.000 0.830 169 N CB 0.325 38.039 38.487 -1.289 0.000 1.073 169 N HN 0.564 nan 8.380 nan 0.000 0.465 170 Q N 0.407 119.967 119.800 -0.399 0.000 2.365 170 Q HA 0.397 4.738 4.340 0.002 0.000 0.269 170 Q C -0.394 175.623 176.000 0.028 0.000 1.061 170 Q CA -0.675 55.056 55.803 -0.121 0.000 0.816 170 Q CB 2.161 30.857 28.738 -0.070 0.000 1.325 170 Q HN 0.729 nan 8.270 nan 0.000 0.446 171 S N 1.419 117.195 115.700 0.127 0.000 2.532 171 S HA 0.783 5.254 4.470 0.002 0.000 0.301 171 S C -0.226 174.487 174.600 0.188 0.000 1.083 171 S CA -0.776 57.582 58.200 0.263 0.000 1.025 171 S CB 1.357 64.778 63.200 0.368 0.000 1.056 171 S HN 0.568 nan 8.310 nan 0.000 0.494 172 M N 3.199 122.944 119.600 0.241 0.000 2.053 172 M HA 0.363 4.844 4.480 0.002 0.000 0.297 172 M C -1.494 174.896 176.300 0.150 0.000 0.921 172 M CA -0.358 55.050 55.300 0.180 0.000 0.918 172 M CB 1.465 34.210 32.600 0.241 0.000 1.499 172 M HN 0.566 nan 8.290 nan 0.000 0.422 173 L N 5.531 126.765 121.223 0.019 0.000 2.255 173 L HA 0.592 4.933 4.340 0.002 0.000 0.289 173 L C -0.574 176.368 176.870 0.120 0.000 1.046 173 L CA -0.431 54.438 54.840 0.049 0.000 0.816 173 L CB 0.307 42.353 42.059 -0.021 0.000 1.197 173 L HN 0.638 nan 8.230 nan 0.000 0.427 174 I N 2.650 123.292 120.570 0.121 0.000 2.404 174 I HA 0.438 4.609 4.170 0.002 0.000 0.293 174 I C 0.599 176.768 176.117 0.087 0.000 0.992 174 I CA -0.367 61.004 61.300 0.119 0.000 1.149 174 I CB 2.131 40.194 38.000 0.105 0.000 1.315 174 I HN 0.617 nan 8.210 nan 0.000 0.446 175 T N 1.650 116.248 114.554 0.073 0.000 2.919 175 T HA 0.943 5.294 4.350 0.002 0.000 0.282 175 T C 0.002 174.712 174.700 0.017 0.000 1.020 175 T CA -0.624 61.502 62.100 0.042 0.000 0.994 175 T CB 2.034 70.920 68.868 0.031 0.000 1.180 175 T HN 1.188 nan 8.240 nan 0.000 0.566 176 G N 0.312 109.119 108.800 0.012 0.000 2.402 176 G HA2 0.360 4.321 3.960 0.002 0.000 0.666 176 G HA3 0.360 4.321 3.960 0.002 0.000 0.666 176 G C -1.556 173.355 174.900 0.018 0.000 1.402 176 G CA -0.916 44.184 45.100 -0.000 0.000 0.920 176 G HN 0.778 nan 8.290 nan 0.000 0.651 177 E N 0.553 120.766 120.200 0.021 0.000 2.232 177 E HA 0.726 5.077 4.350 0.002 0.000 0.264 177 E C 1.581 178.204 176.600 0.037 0.000 0.973 177 E CA 0.102 56.525 56.400 0.039 0.000 0.849 177 E CB 1.498 31.232 29.700 0.057 0.000 1.198 177 E HN 1.614 nan 8.360 nan 0.000 0.407 178 S N 1.510 117.240 115.700 0.049 0.000 3.746 178 S HA -0.335 4.135 4.470 0.002 0.000 0.538 178 S C 1.494 176.123 174.600 0.048 0.000 0.922 178 S CA 1.675 59.906 58.200 0.053 0.000 3.394 178 S CB -1.691 61.542 63.200 0.057 0.000 2.350 178 S HN 0.817 nan 8.310 nan 0.000 0.497 179 G N 1.079 109.922 108.800 0.071 0.000 3.302 179 G HA2 0.477 4.438 3.960 0.002 0.000 0.220 179 G HA3 0.477 4.438 3.960 0.002 0.000 0.220 179 G C 0.859 175.745 174.900 -0.022 0.000 1.297 179 G CA 0.649 45.804 45.100 0.091 0.000 1.213 179 G HN 1.277 nan 8.290 nan 0.000 0.508 180 A N -0.509 122.288 122.820 -0.038 0.000 2.238 180 A HA 0.487 4.808 4.320 0.002 0.000 0.210 180 A C 2.114 179.633 177.584 -0.110 0.000 1.179 180 A CA 1.058 53.039 52.037 -0.093 0.000 0.827 180 A CB -0.162 18.807 19.000 -0.051 0.000 0.856 180 A HN 1.479 nan 8.150 nan 0.000 0.488 181 G N 0.326 109.081 108.800 -0.074 0.000 2.168 181 G HA2 -0.392 3.569 3.960 0.002 0.000 0.257 181 G HA3 -0.392 3.569 3.960 0.002 0.000 0.257 181 G C 0.968 175.844 174.900 -0.040 0.000 0.997 181 G CA 1.133 46.194 45.100 -0.065 0.000 0.708 181 G HN 0.626 nan 8.290 nan 0.000 0.520 182 K N 0.088 120.475 120.400 -0.021 0.000 2.077 182 K HA -0.275 4.046 4.320 0.002 0.000 0.213 182 K C 2.905 179.512 176.600 0.012 0.000 1.051 182 K CA 2.814 59.102 56.287 0.002 0.000 0.929 182 K CB -0.536 31.973 32.500 0.015 0.000 0.715 182 K HN 0.705 nan 8.250 nan 0.000 0.451 183 T N -1.039 113.523 114.554 0.013 0.000 2.580 183 T HA -0.220 4.131 4.350 0.002 0.000 0.265 183 T C 1.583 176.284 174.700 0.001 0.000 1.063 183 T CA 1.679 63.790 62.100 0.018 0.000 1.170 183 T CB -0.707 68.175 68.868 0.023 0.000 0.863 183 T HN 0.427 nan 8.240 nan 0.000 0.418 184 E N 1.560 121.747 120.200 -0.021 0.000 2.082 184 E HA -0.272 4.079 4.350 0.002 0.000 0.215 184 E C 2.491 179.053 176.600 -0.063 0.000 1.048 184 E CA 1.693 58.060 56.400 -0.054 0.000 0.869 184 E CB -0.422 29.231 29.700 -0.077 0.000 0.773 184 E HN 0.504 nan 8.360 nan 0.000 0.466 185 N N 0.040 118.712 118.700 -0.046 0.000 2.023 185 N HA -0.193 4.548 4.740 0.002 0.000 0.200 185 N C 2.023 177.541 175.510 0.013 0.000 1.048 185 N CA 2.309 55.348 53.050 -0.018 0.000 0.872 185 N CB -0.707 37.794 38.487 0.024 0.000 1.070 185 N HN 0.197 nan 8.380 nan 0.000 0.441 186 T N 1.841 116.419 114.554 0.041 0.000 2.680 186 T HA -0.227 4.124 4.350 0.002 0.000 0.268 186 T C 1.882 176.618 174.700 0.060 0.000 1.033 186 T CA 1.677 63.820 62.100 0.073 0.000 1.152 186 T CB -0.205 68.712 68.868 0.081 0.000 0.859 186 T HN 0.397 nan 8.240 nan 0.000 0.452 187 K N 1.266 121.681 120.400 0.025 0.000 1.969 187 K HA -0.176 4.144 4.320 0.002 0.000 0.216 187 K C 2.205 178.808 176.600 0.005 0.000 1.048 187 K CA 1.638 57.932 56.287 0.011 0.000 0.948 187 K CB -0.170 32.319 32.500 -0.019 0.000 0.726 187 K HN 0.221 nan 8.250 nan 0.000 0.442 188 K N 0.286 120.662 120.400 -0.042 0.000 2.286 188 K HA -0.120 4.201 4.320 0.002 0.000 0.203 188 K C 1.896 178.546 176.600 0.083 0.000 1.045 188 K CA 1.271 57.538 56.287 -0.033 0.000 0.935 188 K CB -0.019 32.332 32.500 -0.248 0.000 0.737 188 K HN 0.077 nan 8.250 nan 0.000 0.460 189 V N 1.117 121.059 119.914 0.046 0.000 2.719 189 V HA -0.144 3.977 4.120 0.002 0.000 0.252 189 V C 1.963 177.994 176.094 -0.105 0.000 1.065 189 V CA 1.210 63.475 62.300 -0.058 0.000 1.086 189 V CB -0.264 31.566 31.823 0.011 0.000 0.700 189 V HN 0.250 nan 8.190 nan 0.000 0.467 190 I N -0.344 120.280 120.570 0.089 0.000 2.333 190 I HA -0.207 3.964 4.170 0.002 0.000 0.246 190 I C 2.652 178.835 176.117 0.109 0.000 1.106 190 I CA 1.162 62.579 61.300 0.195 0.000 1.411 190 I CB -0.285 37.799 38.000 0.139 0.000 1.082 190 I HN 0.334 nan 8.210 nan 0.000 0.420 191 Q N -0.064 119.756 119.800 0.035 0.000 2.061 191 Q HA -0.281 4.060 4.340 0.002 0.000 0.204 191 Q C 2.205 178.152 176.000 -0.088 0.000 0.984 191 Q CA 2.128 57.922 55.803 -0.015 0.000 0.846 191 Q CB -0.575 28.153 28.738 -0.016 0.000 0.902 191 Q HN 0.485 nan 8.270 nan 0.000 0.421 192 Y N 0.958 121.095 120.300 -0.272 0.000 2.049 192 Y HA -0.286 4.265 4.550 0.002 0.000 0.277 192 Y C 1.967 177.687 175.900 -0.300 0.000 1.143 192 Y CA 1.656 59.473 58.100 -0.473 0.000 1.115 192 Y CB -0.560 37.459 38.460 -0.734 0.000 0.975 192 Y HN -0.001 nan 8.280 nan 0.000 0.487 193 F N -0.057 120.035 119.950 0.238 0.000 2.271 193 F HA -0.277 4.251 4.527 0.002 0.000 0.302 193 F C 2.418 178.263 175.800 0.075 0.000 1.063 193 F CA 0.992 59.122 58.000 0.216 0.000 1.362 193 F CB -1.482 37.756 39.000 0.396 0.000 1.060 193 F HN 0.196 nan 8.300 nan 0.000 0.521 194 A N 0.357 123.254 122.820 0.128 0.000 1.826 194 A HA -0.066 4.255 4.320 0.002 0.000 0.214 194 A C 2.278 179.809 177.584 -0.089 0.000 1.212 194 A CA 1.104 53.150 52.037 0.015 0.000 0.605 194 A CB -1.120 17.871 19.000 -0.016 0.000 0.861 194 A HN 0.281 nan 8.150 nan 0.000 0.447 195 L N 0.454 121.554 121.223 -0.206 0.000 2.103 195 L HA -0.248 4.093 4.340 0.002 0.000 0.215 195 L C 2.571 179.276 176.870 -0.275 0.000 1.080 195 L CA 1.873 56.553 54.840 -0.266 0.000 0.764 195 L CB -0.777 41.044 42.059 -0.397 0.000 0.890 195 L HN 0.508 nan 8.230 nan 0.000 0.435 196 V N -3.657 116.043 119.914 -0.358 0.000 2.809 196 V HA -0.029 4.092 4.120 0.002 0.000 0.256 196 V C 2.525 178.539 176.094 -0.134 0.000 1.080 196 V CA 1.211 63.334 62.300 -0.296 0.000 1.102 196 V CB -0.941 30.632 31.823 -0.417 0.000 0.705 196 V HN 0.311 nan 8.190 nan 0.000 0.475 197 A N 0.986 123.789 122.820 -0.028 0.000 1.898 197 A HA 0.187 4.508 4.320 0.002 0.000 0.216 197 A C 2.292 179.916 177.584 0.066 0.000 1.181 197 A CA 1.950 54.054 52.037 0.111 0.000 0.620 197 A CB -0.800 18.281 19.000 0.136 0.000 0.819 197 A HN 0.944 nan 8.150 nan 0.000 0.442 198 A N -1.178 121.646 122.820 0.007 0.000 2.275 198 A HA 0.327 4.648 4.320 0.002 0.000 0.212 198 A C 1.583 179.161 177.584 -0.010 0.000 1.201 198 A CA 0.778 52.816 52.037 0.001 0.000 0.843 198 A CB -0.246 18.744 19.000 -0.017 0.000 0.873 198 A HN 0.276 nan 8.150 nan 0.000 0.492 199 S N 0.274 115.959 115.700 -0.025 0.000 2.685 199 S HA 0.276 4.747 4.470 0.002 0.000 0.240 199 S C 1.246 175.850 174.600 0.007 0.000 0.967 199 S CA -0.188 57.993 58.200 -0.031 0.000 1.009 199 S CB -0.328 62.824 63.200 -0.081 0.000 0.776 199 S HN 0.532 nan 8.310 nan 0.000 0.467 200 L N 0.217 121.460 121.223 0.033 0.000 2.071 200 L HA 0.218 4.558 4.340 0.002 0.000 0.201 200 L C 1.610 178.500 176.870 0.033 0.000 1.076 200 L CA 1.153 56.024 54.840 0.052 0.000 0.755 200 L CB -0.219 41.886 42.059 0.077 0.000 0.915 200 L HN 0.422 nan 8.230 nan 0.000 0.445 201 A N -1.153 121.683 122.820 0.026 0.000 2.389 201 A HA 0.430 4.751 4.320 0.002 0.000 0.220 201 A C 0.198 177.790 177.584 0.014 0.000 2.863 201 A CA 0.253 52.301 52.037 0.018 0.000 1.586 201 A CB -0.783 18.229 19.000 0.020 0.000 0.250 201 A HN 0.386 nan 8.150 nan 0.000 0.567 218 G N 0.854 109.641 108.800 -0.022 0.000 2.697 218 G HA2 -0.136 3.825 3.960 0.002 0.000 0.684 218 G HA3 -0.136 3.825 3.960 0.002 0.000 0.684 218 G C -0.468 174.420 174.900 -0.020 0.000 1.274 218 G CA -0.693 44.394 45.100 -0.022 0.000 0.806 218 G HN -0.030 nan 8.290 nan 0.000 0.644 219 T N 2.389 116.933 114.554 -0.018 0.000 2.882 219 T HA 0.447 4.798 4.350 0.002 0.000 0.287 219 T C 1.875 176.566 174.700 -0.015 0.000 1.014 219 T CA 0.104 62.193 62.100 -0.018 0.000 1.049 219 T CB 1.630 70.489 68.868 -0.016 0.000 1.001 219 T HN 1.025 nan 8.240 nan 0.000 0.525 220 L N 1.646 122.860 121.223 -0.015 0.000 1.963 220 L HA -0.206 4.135 4.340 0.002 0.000 0.220 220 L C 2.350 179.220 176.870 0.000 0.000 1.076 220 L CA 2.067 56.901 54.840 -0.010 0.000 0.772 220 L CB -1.127 40.929 42.059 -0.006 0.000 0.892 220 L HN 0.776 nan 8.230 nan 0.000 0.435 221 E N -0.212 119.992 120.200 0.007 0.000 2.086 221 E HA -0.266 4.085 4.350 0.002 0.000 0.205 221 E C 1.940 178.542 176.600 0.003 0.000 1.027 221 E CA 1.939 58.345 56.400 0.011 0.000 0.830 221 E CB -0.618 29.084 29.700 0.005 0.000 0.751 221 E HN 0.591 nan 8.360 nan 0.000 0.456 222 D N 0.400 120.797 120.400 -0.004 0.000 2.097 222 D HA -0.146 4.495 4.640 0.002 0.000 0.197 222 D C 2.040 178.334 176.300 -0.011 0.000 0.984 222 D CA 1.017 55.012 54.000 -0.008 0.000 0.826 222 D CB -0.372 40.422 40.800 -0.011 0.000 0.973 222 D HN 0.266 nan 8.370 nan 0.000 0.460 223 Q N -0.027 119.764 119.800 -0.014 0.000 2.197 223 Q HA -0.139 4.202 4.340 0.002 0.000 0.207 223 Q C 2.246 178.237 176.000 -0.016 0.000 0.984 223 Q CA 0.917 56.708 55.803 -0.019 0.000 0.869 223 Q CB 0.057 28.782 28.738 -0.021 0.000 0.906 223 Q HN 0.390 nan 8.270 nan 0.000 0.426 224 I N -1.236 119.330 120.570 -0.007 0.000 2.556 224 I HA -0.147 4.024 4.170 0.002 0.000 0.251 224 I C 1.880 177.999 176.117 0.003 0.000 1.105 224 I CA 0.277 61.576 61.300 -0.001 0.000 1.436 224 I CB 0.108 38.114 38.000 0.010 0.000 1.139 224 I HN -0.055 nan 8.210 nan 0.000 0.438 225 V N 0.888 120.806 119.914 0.007 0.000 2.828 225 V HA -0.296 3.824 4.120 0.002 0.000 0.260 225 V C 2.341 178.434 176.094 -0.001 0.000 1.101 225 V CA 1.601 63.906 62.300 0.009 0.000 1.123 225 V CB -0.743 31.084 31.823 0.007 0.000 0.704 225 V HN 0.474 nan 8.190 nan 0.000 0.493 226 Q N -0.392 119.402 119.800 -0.010 0.000 2.084 226 Q HA -0.221 4.120 4.340 0.002 0.000 0.202 226 Q C 2.366 178.346 176.000 -0.033 0.000 0.978 226 Q CA 2.322 58.112 55.803 -0.021 0.000 0.844 226 Q CB -0.152 28.570 28.738 -0.027 0.000 0.898 226 Q HN 0.906 nan 8.270 nan 0.000 0.426 227 C N -0.985 118.294 119.300 -0.036 0.000 2.533 227 C HA 0.220 4.681 4.460 0.002 0.000 0.272 227 C C 1.867 176.824 174.990 -0.055 0.000 1.371 227 C CA -0.230 58.750 59.018 -0.063 0.000 1.758 227 C CB -1.165 26.538 27.740 -0.063 0.000 1.972 227 C HN 0.399 nan 8.230 nan 0.000 0.522 228 N N 2.901 121.596 118.700 -0.009 0.000 2.314 228 N HA -0.088 4.653 4.740 0.002 0.000 0.191 228 N C -1.022 174.504 175.510 0.027 0.000 1.007 228 N CA 1.795 54.864 53.050 0.033 0.000 0.883 228 N CB -1.082 37.436 38.487 0.051 0.000 0.969 228 N HN 0.493 nan 8.380 nan 0.000 0.441 229 P HA -0.004 nan 4.420 nan 0.000 0.217 229 P C 1.608 178.868 177.300 -0.066 0.000 1.154 229 P CA 0.447 63.532 63.100 -0.025 0.000 0.841 229 P CB 0.244 31.920 31.700 -0.039 0.000 0.790 230 V N -0.316 119.494 119.914 -0.173 0.000 2.343 230 V HA -0.222 3.899 4.120 0.002 0.000 0.247 230 V C 2.359 178.376 176.094 -0.127 0.000 1.051 230 V CA 1.721 63.842 62.300 -0.298 0.000 1.036 230 V CB -1.118 30.347 31.823 -0.596 0.000 0.654 230 V HN 0.026 nan 8.190 nan 0.000 0.451 231 L N -0.673 120.470 121.223 -0.133 0.000 2.017 231 L HA -0.204 4.137 4.340 0.002 0.000 0.208 231 L C 2.488 179.422 176.870 0.107 0.000 1.073 231 L CA 1.798 56.561 54.840 -0.128 0.000 0.745 231 L CB -0.686 41.328 42.059 -0.076 0.000 0.894 231 L HN 0.330 nan 8.230 nan 0.000 0.432 232 E N 0.137 120.443 120.200 0.178 0.000 2.130 232 E HA -0.269 4.082 4.350 0.002 0.000 0.196 232 E C 2.281 179.062 176.600 0.302 0.000 0.998 232 E CA 1.211 57.780 56.400 0.282 0.000 0.806 232 E CB -0.150 29.674 29.700 0.206 0.000 0.738 232 E HN 0.506 nan 8.360 nan 0.000 0.459 233 A N -0.058 122.874 122.820 0.186 0.000 1.940 233 A HA -0.193 4.128 4.320 0.002 0.000 0.219 233 A C 1.538 179.172 177.584 0.083 0.000 1.176 233 A CA 1.439 53.548 52.037 0.121 0.000 0.631 233 A CB -0.452 18.541 19.000 -0.012 0.000 0.814 233 A HN 0.325 nan 8.150 nan 0.000 0.446 234 Y N -1.538 118.806 120.300 0.072 0.000 2.507 234 Y HA 0.272 4.823 4.550 0.002 0.000 0.263 234 Y C 2.422 178.279 175.900 -0.072 0.000 1.093 234 Y CA 0.348 58.481 58.100 0.055 0.000 1.285 234 Y CB 0.020 38.455 38.460 -0.042 0.000 1.115 234 Y HN 0.308 nan 8.280 nan 0.000 0.533 235 G N -0.961 108.017 108.800 0.297 0.000 3.126 235 G HA2 0.071 4.032 3.960 0.002 0.000 0.224 235 G HA3 0.071 4.032 3.960 0.002 0.000 0.224 235 G C 0.146 175.445 174.900 0.665 0.000 1.142 235 G CA 0.012 45.258 45.100 0.244 0.000 0.759 235 G HN 0.125 nan 8.290 nan 0.000 0.550 236 N N -0.343 118.730 118.700 0.622 0.000 2.815 236 N HA 0.854 5.595 4.740 0.002 0.000 0.315 236 N C -0.229 175.326 175.510 0.074 0.000 1.320 236 N CA 0.327 53.644 53.050 0.446 0.000 0.846 236 N CB 1.998 40.772 38.487 0.479 0.000 1.344 236 N HN 0.294 nan 8.380 nan 0.000 0.593 237 A N -0.616 122.059 122.820 -0.241 0.000 2.437 237 A HA 0.311 4.632 4.320 0.002 0.000 0.296 237 A C -1.712 175.727 177.584 -0.242 0.000 0.974 237 A CA -0.824 50.777 52.037 -0.726 0.000 0.592 237 A CB 0.215 18.891 19.000 -0.541 0.000 1.405 237 A HN 0.520 nan 8.150 nan 0.000 0.478 238 K N 1.205 121.484 120.400 -0.203 0.000 2.276 238 K HA 0.531 4.852 4.320 0.002 0.000 0.285 238 K C 0.103 176.642 176.600 -0.102 0.000 1.062 238 K CA 0.590 56.829 56.287 -0.080 0.000 0.918 238 K CB 0.508 32.963 32.500 -0.074 0.000 1.055 238 K HN 0.993 nan 8.250 nan 0.000 0.477 239 T N 0.825 115.338 114.554 -0.068 0.000 2.929 239 T HA 0.127 4.478 4.350 0.002 0.000 0.284 239 T C 1.263 175.875 174.700 -0.146 0.000 1.014 239 T CA -0.644 61.410 62.100 -0.076 0.000 1.051 239 T CB 1.509 70.375 68.868 -0.004 0.000 1.028 239 T HN 0.582 nan 8.240 nan 0.000 0.485 240 T N 1.667 116.094 114.554 -0.211 0.000 2.635 240 T HA -0.226 4.125 4.350 0.002 0.000 0.265 240 T C 1.408 175.935 174.700 -0.289 0.000 1.058 240 T CA 1.852 63.785 62.100 -0.278 0.000 1.162 240 T CB -0.338 68.274 68.868 -0.427 0.000 0.859 240 T HN 0.655 nan 8.240 nan 0.000 0.449 241 R N 1.524 121.794 120.500 -0.382 0.000 2.702 241 R HA 0.382 4.722 4.340 0.002 0.000 0.314 241 R C 0.031 176.267 176.300 -0.107 0.000 1.152 241 R CA -0.076 55.877 56.100 -0.245 0.000 1.097 241 R CB 0.035 30.159 30.300 -0.293 0.000 1.343 241 R HN 0.376 nan 8.270 nan 0.000 0.575 242 N N 0.007 118.660 118.700 -0.078 0.000 2.929 242 N HA 0.047 4.788 4.740 0.002 0.000 0.245 242 N C -0.269 175.242 175.510 0.002 0.000 1.081 242 N CA -0.358 52.683 53.050 -0.016 0.000 1.048 242 N CB 0.956 39.456 38.487 0.021 0.000 1.629 242 N HN -0.116 nan 8.380 nan 0.000 0.598 243 N N 1.533 120.243 118.700 0.016 0.000 2.166 243 N HA -0.121 4.620 4.740 0.002 0.000 0.186 243 N C -0.182 175.397 175.510 0.115 0.000 1.019 243 N CA 1.196 54.270 53.050 0.040 0.000 0.856 243 N CB -0.141 38.359 38.487 0.022 0.000 0.993 243 N HN 0.592 nan 8.380 nan 0.000 0.426 244 N N -0.016 118.758 118.700 0.124 0.000 2.609 244 N HA 0.109 4.850 4.740 0.002 0.000 0.268 244 N C -1.683 173.935 175.510 0.181 0.000 1.106 244 N CA -0.018 53.166 53.050 0.225 0.000 0.823 244 N CB 0.674 39.261 38.487 0.166 0.000 1.263 244 N HN -0.158 nan 8.380 nan 0.000 0.533 245 S N 2.198 117.997 115.700 0.164 0.000 2.566 245 S HA 0.204 4.675 4.470 0.002 0.000 0.324 245 S C -0.121 174.592 174.600 0.187 0.000 1.081 245 S CA -0.654 57.628 58.200 0.136 0.000 1.105 245 S CB 0.472 63.725 63.200 0.088 0.000 0.981 245 S HN 0.525 nan 8.310 nan 0.000 0.464 246 S N 5.497 121.326 115.700 0.216 0.000 2.506 246 S HA 0.233 4.704 4.470 0.002 0.000 0.291 246 S C 0.456 175.233 174.600 0.295 0.000 1.230 246 S CA -0.553 57.842 58.200 0.325 0.000 1.107 246 S CB 0.234 63.519 63.200 0.142 0.000 0.942 246 S HN 0.642 nan 8.310 nan 0.000 0.502 247 R N 2.222 122.994 120.500 0.452 0.000 2.752 247 R HA 0.321 4.662 4.340 0.002 0.000 0.279 247 R C -0.438 176.092 176.300 0.383 0.000 1.212 247 R CA -0.285 56.013 56.100 0.331 0.000 1.169 247 R CB -1.403 29.058 30.300 0.267 0.000 1.286 247 R HN 0.787 nan 8.270 nan 0.000 0.564 248 F N -3.677 116.326 119.950 0.089 0.000 2.715 248 F HA 0.784 5.312 4.527 0.002 0.000 0.318 248 F C -0.261 175.584 175.800 0.075 0.000 1.141 248 F CA -2.108 55.906 58.000 0.023 0.000 0.950 248 F CB 0.745 39.694 39.000 -0.085 0.000 1.374 248 F HN -0.113 nan 8.300 nan 0.000 0.477 249 G N 1.489 110.266 108.800 -0.039 0.000 2.422 249 G HA2 0.542 4.503 3.960 0.002 0.000 0.317 249 G HA3 0.542 4.503 3.960 0.002 0.000 0.317 249 G C -1.737 173.144 174.900 -0.031 0.000 1.210 249 G CA -0.997 44.023 45.100 -0.133 0.000 0.930 249 G HN 0.948 nan 8.290 nan 0.000 0.468 250 K N 1.657 121.945 120.400 -0.187 0.000 2.221 250 K HA 0.653 4.974 4.320 0.002 0.000 0.258 250 K C -1.777 174.985 176.600 0.271 0.000 0.944 250 K CA -0.952 55.398 56.287 0.106 0.000 0.823 250 K CB 2.017 34.570 32.500 0.089 0.000 1.113 250 K HN 0.166 nan 8.250 nan 0.000 0.431 251 F N 4.978 125.011 119.950 0.138 0.000 2.347 251 F HA 0.422 4.950 4.527 0.002 0.000 0.366 251 F C -0.690 175.150 175.800 0.066 0.000 1.107 251 F CA -1.917 56.159 58.000 0.126 0.000 1.058 251 F CB 0.695 39.830 39.000 0.225 0.000 1.236 251 F HN 0.493 nan 8.300 nan 0.000 0.456 252 I N 7.049 127.665 120.570 0.077 0.000 2.269 252 I HA 0.254 4.425 4.170 0.002 0.000 0.293 252 I C 0.266 176.230 176.117 -0.254 0.000 1.106 252 I CA -0.283 60.984 61.300 -0.054 0.000 1.248 252 I CB 0.219 38.237 38.000 0.029 0.000 1.444 252 I HN 0.340 nan 8.210 nan 0.000 0.497 253 R N 6.733 127.001 120.500 -0.387 0.000 2.265 253 R HA 0.540 4.881 4.340 0.002 0.000 0.314 253 R C -0.557 175.469 176.300 -0.458 0.000 1.053 253 R CA -0.441 55.334 56.100 -0.543 0.000 0.931 253 R CB 1.320 31.137 30.300 -0.804 0.000 1.024 253 R HN 0.536 nan 8.270 nan 0.000 0.457 254 I N 3.843 124.212 120.570 -0.335 0.000 2.377 254 I HA 0.250 4.421 4.170 0.002 0.000 0.293 254 I C 0.358 176.301 176.117 -0.290 0.000 0.987 254 I CA -0.682 60.468 61.300 -0.250 0.000 1.185 254 I CB 1.185 39.144 38.000 -0.069 0.000 1.341 254 I HN 0.430 nan 8.210 nan 0.000 0.455 255 H N 5.528 124.544 119.070 -0.090 0.000 2.544 255 H HA 0.581 5.138 4.556 0.002 0.000 0.342 255 H C -1.121 174.029 175.328 -0.296 0.000 1.185 255 H CA -0.275 55.777 56.048 0.007 0.000 1.264 255 H CB 1.950 31.714 29.762 0.003 0.000 1.607 255 H HN 0.294 nan 8.280 nan 0.000 0.550 256 F N -1.221 118.883 119.950 0.258 0.000 2.626 256 F HA 0.473 5.001 4.527 0.002 0.000 0.311 256 F C 0.697 176.565 175.800 0.112 0.000 1.088 256 F CA -0.799 57.319 58.000 0.197 0.000 0.949 256 F CB 1.842 40.997 39.000 0.257 0.000 1.322 256 F HN 0.575 nan 8.300 nan 0.000 0.461 257 G N -0.277 108.684 108.800 0.269 0.000 2.471 257 G HA2 0.440 4.400 3.960 0.002 0.000 0.332 257 G HA3 0.440 4.400 3.960 0.002 0.000 0.332 257 G C 0.458 175.443 174.900 0.143 0.000 1.176 257 G CA -0.512 44.652 45.100 0.105 0.000 0.949 257 G HN 0.637 nan 8.290 nan 0.000 0.488 258 T N 0.345 114.928 114.554 0.049 0.000 2.795 258 T HA -0.183 4.168 4.350 0.002 0.000 0.266 258 T C 1.776 176.565 174.700 0.149 0.000 1.056 258 T CA 1.494 63.661 62.100 0.111 0.000 1.141 258 T CB -0.030 68.872 68.868 0.056 0.000 0.840 258 T HN 0.392 nan 8.240 nan 0.000 0.493 259 Q N -0.130 119.755 119.800 0.141 0.000 2.247 259 Q HA 0.260 4.601 4.340 0.002 0.000 0.205 259 Q C 1.509 177.637 176.000 0.214 0.000 0.896 259 Q CA 0.344 56.234 55.803 0.144 0.000 0.950 259 Q CB 0.122 28.930 28.738 0.116 0.000 1.054 259 Q HN 0.697 nan 8.270 nan 0.000 0.482 260 G N 2.065 111.027 108.800 0.270 0.000 2.153 260 G HA2 -0.307 3.654 3.960 0.002 0.000 0.252 260 G HA3 -0.307 3.654 3.960 0.002 0.000 0.252 260 G C -0.031 175.294 174.900 0.708 0.000 0.994 260 G CA 0.554 45.893 45.100 0.398 0.000 0.698 260 G HN 0.422 nan 8.290 nan 0.000 0.521 261 K N 0.317 121.007 120.400 0.483 0.000 2.322 261 K HA 0.595 4.916 4.320 0.002 0.000 0.283 261 K C 0.503 177.232 176.600 0.215 0.000 1.042 261 K CA -0.846 55.639 56.287 0.331 0.000 0.958 261 K CB 1.585 34.190 32.500 0.174 0.000 0.984 261 K HN 0.224 nan 8.250 nan 0.000 0.473 262 I N 2.353 122.906 120.570 -0.027 0.000 2.618 262 I HA -0.073 4.098 4.170 0.002 0.000 0.284 262 I C 0.718 176.708 176.117 -0.212 0.000 1.146 262 I CA 0.350 61.371 61.300 -0.464 0.000 1.425 262 I CB 0.960 38.757 38.000 -0.338 0.000 1.383 262 I HN 0.935 nan 8.210 nan 0.000 0.562 263 A N 4.911 127.607 122.820 -0.207 0.000 2.635 263 A HA 0.665 4.986 4.320 0.002 0.000 0.279 263 A C 0.395 177.943 177.584 -0.060 0.000 1.122 263 A CA 0.291 52.277 52.037 -0.084 0.000 0.965 263 A CB 0.270 19.247 19.000 -0.039 0.000 1.221 263 A HN 0.967 nan 8.150 nan 0.000 0.566 264 G N -1.812 106.951 108.800 -0.062 0.000 2.369 264 G HA2 0.589 4.550 3.960 0.002 0.000 0.307 264 G HA3 0.589 4.550 3.960 0.002 0.000 0.307 264 G C -0.687 174.265 174.900 0.087 0.000 1.327 264 G CA -0.077 45.024 45.100 0.001 0.000 0.963 264 G HN 1.637 nan 8.290 nan 0.000 0.590 265 A N -0.372 122.511 122.820 0.105 0.000 2.533 265 A HA 1.018 5.339 4.320 0.002 0.000 0.293 265 A C -1.428 176.209 177.584 0.088 0.000 1.228 265 A CA 0.599 52.687 52.037 0.084 0.000 0.689 265 A CB 2.091 21.078 19.000 -0.022 0.000 1.303 265 A HN 2.408 nan 8.150 nan 0.000 0.444 266 D N -1.032 119.373 120.400 0.007 0.000 2.884 266 D HA 0.286 4.927 4.640 0.002 0.000 0.255 266 D C -1.711 174.554 176.300 -0.058 0.000 1.142 266 D CA -0.208 53.786 54.000 -0.010 0.000 0.726 266 D CB 0.151 40.969 40.800 0.030 0.000 1.436 266 D HN 0.538 nan 8.370 nan 0.000 0.441 267 I N 0.633 121.174 120.570 -0.048 0.000 2.436 267 I HA 0.287 4.458 4.170 0.002 0.000 0.289 267 I C 0.094 176.200 176.117 -0.018 0.000 1.010 267 I CA -0.645 60.641 61.300 -0.023 0.000 1.098 267 I CB 1.897 39.900 38.000 0.005 0.000 1.266 267 I HN 0.194 nan 8.210 nan 0.000 0.434 268 E N 3.918 124.129 120.200 0.018 0.000 2.214 268 E HA 0.536 4.887 4.350 0.002 0.000 0.274 268 E C -0.705 175.867 176.600 -0.047 0.000 0.977 268 E CA -0.638 55.727 56.400 -0.059 0.000 0.827 268 E CB 2.171 31.851 29.700 -0.034 0.000 1.130 268 E HN 0.611 nan 8.360 nan 0.000 0.394 269 T N -0.480 113.954 114.554 -0.200 0.000 2.886 269 T HA 0.572 4.923 4.350 0.002 0.000 0.292 269 T C -1.110 173.454 174.700 -0.227 0.000 1.012 269 T CA -0.770 61.346 62.100 0.027 0.000 0.982 269 T CB 0.461 69.569 68.868 0.399 0.000 1.018 269 T HN 0.298 nan 8.240 nan 0.000 0.451 270 Y N 1.315 121.713 120.300 0.163 0.000 2.570 270 Y HA 0.640 5.191 4.550 0.002 0.000 0.345 270 Y C 0.263 176.173 175.900 0.017 0.000 1.014 270 Y CA -2.118 56.010 58.100 0.047 0.000 1.063 270 Y CB 1.329 39.771 38.460 -0.030 0.000 1.272 270 Y HN 0.772 nan 8.280 nan 0.000 0.477 271 L N 1.909 123.196 121.223 0.106 0.000 3.760 271 L HA -0.243 4.098 4.340 0.002 0.000 0.604 271 L C -0.885 175.989 176.870 0.006 0.000 1.108 271 L CA 0.163 54.982 54.840 -0.036 0.000 0.941 271 L CB -1.169 40.790 42.059 -0.167 0.000 1.244 271 L HN 0.418 nan 8.230 nan 0.000 0.789 272 L N 2.009 123.210 121.223 -0.036 0.000 2.326 272 L HA 0.305 4.646 4.340 0.002 0.000 0.278 272 L C 1.010 177.907 176.870 0.044 0.000 1.092 272 L CA 0.197 54.997 54.840 -0.066 0.000 0.810 272 L CB 1.335 43.174 42.059 -0.367 0.000 1.153 272 L HN 0.314 nan 8.230 nan 0.000 0.439 273 E N 4.067 124.363 120.200 0.159 0.000 1.774 273 E HA -0.012 4.339 4.350 0.002 0.000 0.265 273 E C 0.612 177.328 176.600 0.193 0.000 1.207 273 E CA 0.107 56.602 56.400 0.158 0.000 1.054 273 E CB 0.220 30.004 29.700 0.140 0.000 1.074 273 E HN 0.621 nan 8.360 nan 0.000 0.433 274 K N 1.064 121.546 120.400 0.137 0.000 2.000 274 K HA -0.209 4.112 4.320 0.002 0.000 0.218 274 K C 1.904 178.550 176.600 0.077 0.000 1.053 274 K CA 1.873 58.238 56.287 0.129 0.000 0.946 274 K CB -0.226 32.333 32.500 0.098 0.000 0.723 274 K HN 0.366 nan 8.250 nan 0.000 0.446 275 S N 0.875 116.612 115.700 0.063 0.000 2.429 275 S HA -0.310 4.161 4.470 0.002 0.000 0.251 275 S C 1.850 176.456 174.600 0.009 0.000 1.104 275 S CA 2.062 60.285 58.200 0.038 0.000 1.130 275 S CB -0.549 62.701 63.200 0.084 0.000 1.000 275 S HN 0.348 nan 8.310 nan 0.000 0.449 276 R N 0.682 121.180 120.500 -0.003 0.000 2.154 276 R HA -0.134 4.207 4.340 0.002 0.000 0.248 276 R C 1.913 178.099 176.300 -0.190 0.000 1.155 276 R CA 1.482 57.510 56.100 -0.119 0.000 0.979 276 R CB -0.501 29.616 30.300 -0.305 0.000 0.869 276 R HN 0.357 nan 8.270 nan 0.000 0.452 277 V N -0.321 119.489 119.914 -0.174 0.000 2.720 277 V HA -0.168 3.953 4.120 0.002 0.000 0.256 277 V C 1.782 177.538 176.094 -0.564 0.000 1.082 277 V CA 2.080 64.175 62.300 -0.342 0.000 1.101 277 V CB -0.179 31.463 31.823 -0.300 0.000 0.693 277 V HN 0.689 nan 8.190 nan 0.000 0.479 278 T N -4.424 109.844 114.554 -0.476 0.000 3.144 278 T HA 0.230 4.581 4.350 0.002 0.000 0.290 278 T C -0.419 174.206 174.700 -0.124 0.000 0.966 278 T CA -0.262 61.416 62.100 -0.703 0.000 0.907 278 T CB 0.081 68.424 68.868 -0.875 0.000 1.152 278 T HN 0.271 nan 8.240 nan 0.000 0.532 279 Y N 1.214 121.404 120.300 -0.184 0.000 2.513 279 Y HA 0.674 5.225 4.550 0.002 0.000 0.340 279 Y C -1.892 173.977 175.900 -0.051 0.000 1.055 279 Y CA -1.012 57.050 58.100 -0.064 0.000 1.020 279 Y CB 2.096 40.537 38.460 -0.032 0.000 1.301 279 Y HN 0.066 nan 8.280 nan 0.000 0.453 280 Q N 3.551 122.875 119.800 -0.793 0.000 2.323 280 Q HA 0.409 4.750 4.340 0.002 0.000 0.271 280 Q C -1.421 174.120 176.000 -0.764 0.000 1.048 280 Q CA -0.642 54.796 55.803 -0.609 0.000 0.792 280 Q CB 2.337 30.914 28.738 -0.268 0.000 1.280 280 Q HN 0.624 nan 8.270 nan 0.000 0.441 281 Q N 1.580 121.111 119.800 -0.448 0.000 2.678 281 Q HA 0.170 4.511 4.340 0.002 0.000 0.222 281 Q C 0.420 176.350 176.000 -0.117 0.000 1.281 281 Q CA 0.112 55.787 55.803 -0.212 0.000 0.994 281 Q CB 0.517 29.266 28.738 0.018 0.000 1.452 281 Q HN 0.928 nan 8.270 nan 0.000 0.570 282 S N 2.386 118.011 115.700 -0.124 0.000 3.981 282 S HA -0.395 4.076 4.470 0.002 0.000 0.531 282 S C 1.165 175.721 174.600 -0.074 0.000 1.192 282 S CA 2.075 60.228 58.200 -0.079 0.000 3.534 282 S CB -0.946 62.221 63.200 -0.056 0.000 2.071 282 S HN 0.805 nan 8.310 nan 0.000 0.464 283 A N 2.322 125.100 122.820 -0.069 0.000 2.411 283 A HA 0.479 4.800 4.320 0.002 0.000 0.251 283 A C 0.681 178.209 177.584 -0.093 0.000 1.317 283 A CA 0.236 52.228 52.037 -0.076 0.000 0.904 283 A CB -0.137 18.818 19.000 -0.075 0.000 0.993 283 A HN 0.732 nan 8.150 nan 0.000 0.504 284 E N -0.645 119.493 120.200 -0.103 0.000 2.754 284 E HA 0.681 5.032 4.350 0.002 0.000 0.224 284 E C -0.304 176.213 176.600 -0.139 0.000 0.851 284 E CA -0.971 55.358 56.400 -0.119 0.000 1.047 284 E CB 1.151 30.785 29.700 -0.110 0.000 1.584 284 E HN 0.270 nan 8.360 nan 0.000 0.429 285 R N 0.538 120.940 120.500 -0.163 0.000 2.664 285 R HA 0.165 4.506 4.340 0.002 0.000 0.266 285 R C -1.143 175.075 176.300 -0.137 0.000 1.046 285 R CA -0.580 55.425 56.100 -0.159 0.000 0.885 285 R CB 1.410 31.524 30.300 -0.309 0.000 1.254 285 R HN 0.494 nan 8.270 nan 0.000 0.465 286 N N 0.924 119.668 118.700 0.074 0.000 2.317 286 N HA 0.048 4.789 4.740 0.002 0.000 0.245 286 N C -0.702 174.862 175.510 0.090 0.000 1.294 286 N CA 0.276 53.326 53.050 -0.001 0.000 0.924 286 N CB 0.231 38.696 38.487 -0.037 0.000 1.186 286 N HN 0.318 nan 8.380 nan 0.000 0.495 287 Y N 1.186 121.601 120.300 0.192 0.000 2.788 287 Y HA -0.074 4.477 4.550 0.002 0.000 0.341 287 Y C 2.109 178.159 175.900 0.251 0.000 1.258 287 Y CA 0.279 58.455 58.100 0.127 0.000 1.503 287 Y CB 0.219 38.782 38.460 0.172 0.000 1.325 287 Y HN 0.524 nan 8.280 nan 0.000 0.614 288 H N 1.795 121.080 119.070 0.359 0.000 2.353 288 H HA -0.243 4.314 4.556 0.002 0.000 0.298 288 H C 2.351 177.788 175.328 0.182 0.000 1.103 288 H CA 2.092 58.286 56.048 0.244 0.000 1.293 288 H CB -0.159 29.678 29.762 0.124 0.000 1.372 288 H HN 0.760 nan 8.280 nan 0.000 0.501 289 I N 0.553 121.156 120.570 0.056 0.000 2.423 289 I HA -0.296 3.875 4.170 0.002 0.000 0.254 289 I C 1.766 177.684 176.117 -0.331 0.000 1.151 289 I CA 1.072 62.188 61.300 -0.308 0.000 1.421 289 I CB -0.271 37.190 38.000 -0.899 0.000 1.079 289 I HN -0.032 nan 8.210 nan 0.000 0.431 290 F N 0.668 120.570 119.950 -0.079 0.000 2.051 290 F HA -0.243 4.285 4.527 0.002 0.000 0.296 290 F C 2.329 177.975 175.800 -0.257 0.000 1.122 290 F CA 2.000 59.859 58.000 -0.234 0.000 1.201 290 F CB -1.296 37.481 39.000 -0.371 0.000 0.978 290 F HN 0.051 nan 8.300 nan 0.000 0.472 291 Y N 0.039 120.433 120.300 0.156 0.000 2.181 291 Y HA -0.251 4.300 4.550 0.002 0.000 0.288 291 Y C 2.530 178.458 175.900 0.046 0.000 1.146 291 Y CA 1.397 59.552 58.100 0.092 0.000 1.164 291 Y CB -1.280 37.244 38.460 0.106 0.000 0.982 291 Y HN 0.130 nan 8.280 nan 0.000 0.515 292 Q N 0.185 120.094 119.800 0.182 0.000 2.014 292 Q HA -0.231 4.110 4.340 0.002 0.000 0.207 292 Q C 2.344 178.369 176.000 0.043 0.000 0.993 292 Q CA 2.008 57.865 55.803 0.090 0.000 0.850 292 Q CB -0.627 28.130 28.738 0.031 0.000 0.916 292 Q HN 0.491 nan 8.270 nan 0.000 0.417 293 L N 0.437 121.622 121.223 -0.063 0.000 2.151 293 L HA -0.218 4.123 4.340 0.002 0.000 0.215 293 L C 1.260 178.142 176.870 0.021 0.000 1.084 293 L CA 0.863 55.655 54.840 -0.080 0.000 0.764 293 L CB -0.324 41.620 42.059 -0.190 0.000 0.891 293 L HN 0.285 nan 8.230 nan 0.000 0.435 294 L N -0.060 121.177 121.223 0.023 0.000 2.934 294 L HA 0.162 4.503 4.340 0.002 0.000 0.233 294 L C 0.435 177.358 176.870 0.088 0.000 1.358 294 L CA -0.309 54.561 54.840 0.049 0.000 1.233 294 L CB -0.487 41.580 42.059 0.013 0.000 1.594 294 L HN 0.164 nan 8.230 nan 0.000 0.439 295 S N -0.650 115.114 115.700 0.106 0.000 2.599 295 S HA 0.611 5.082 4.470 0.002 0.000 0.287 295 S C -2.762 171.895 174.600 0.095 0.000 1.105 295 S CA -1.466 56.795 58.200 0.101 0.000 0.899 295 S CB 2.296 65.559 63.200 0.106 0.000 1.100 295 S HN 0.030 nan 8.310 nan 0.000 0.482 296 P HA 0.304 nan 4.420 nan 0.000 0.252 296 P C 0.078 177.370 177.300 -0.013 0.000 1.694 296 P CA -0.044 63.074 63.100 0.030 0.000 1.163 296 P CB 0.130 31.841 31.700 0.019 0.000 1.934 297 A N 1.475 124.283 122.820 -0.019 0.000 1.757 297 A HA 0.340 4.661 4.320 0.002 0.000 0.205 297 A C 0.329 177.574 177.584 -0.564 0.000 1.791 297 A CA 0.097 51.993 52.037 -0.236 0.000 1.282 297 A CB 0.162 19.142 19.000 -0.032 0.000 1.297 297 A HN 0.243 nan 8.150 nan 0.000 0.422 298 F N -0.206 119.786 119.950 0.071 0.000 2.566 298 F HA 0.362 4.890 4.527 0.002 0.000 0.347 298 F C -2.170 173.674 175.800 0.075 0.000 1.515 298 F CA -1.669 56.378 58.000 0.079 0.000 1.103 298 F CB 0.998 40.067 39.000 0.115 0.000 1.385 298 F HN 0.013 nan 8.300 nan 0.000 0.560 299 P HA -0.300 nan 4.420 nan 0.000 0.219 299 P C 1.574 178.954 177.300 0.134 0.000 1.161 299 P CA 2.650 65.823 63.100 0.123 0.000 0.909 299 P CB 0.120 31.863 31.700 0.072 0.000 0.793 300 E N -0.785 119.493 120.200 0.130 0.000 2.132 300 E HA -0.333 4.018 4.350 0.002 0.000 0.218 300 E C 1.741 178.416 176.600 0.126 0.000 1.058 300 E CA 1.800 58.269 56.400 0.116 0.000 0.882 300 E CB -1.351 28.418 29.700 0.114 0.000 0.774 300 E HN 0.272 nan 8.360 nan 0.000 0.467 301 N N 1.104 119.901 118.700 0.161 0.000 2.069 301 N HA -0.147 4.594 4.740 0.002 0.000 0.191 301 N C 2.126 177.722 175.510 0.144 0.000 1.031 301 N CA 1.648 54.791 53.050 0.156 0.000 0.852 301 N CB -0.407 38.205 38.487 0.208 0.000 1.018 301 N HN 0.303 nan 8.380 nan 0.000 0.423 302 I N 1.455 122.114 120.570 0.147 0.000 2.367 302 I HA -0.252 3.919 4.170 0.002 0.000 0.256 302 I C 1.761 177.953 176.117 0.124 0.000 1.132 302 I CA 1.301 62.675 61.300 0.124 0.000 1.397 302 I CB -0.111 37.959 38.000 0.117 0.000 1.074 302 I HN 0.132 nan 8.210 nan 0.000 0.435 303 E N 0.411 120.682 120.200 0.118 0.000 2.307 303 E HA -0.027 4.323 4.350 0.002 0.000 0.195 303 E C 2.004 178.673 176.600 0.115 0.000 0.975 303 E CA 0.379 56.845 56.400 0.110 0.000 0.878 303 E CB 0.021 29.775 29.700 0.090 0.000 0.845 303 E HN 0.497 nan 8.360 nan 0.000 0.488 304 K N 0.848 121.315 120.400 0.112 0.000 2.057 304 K HA 0.010 4.330 4.320 0.002 0.000 0.207 304 K C 2.183 178.858 176.600 0.125 0.000 1.049 304 K CA 0.872 57.225 56.287 0.109 0.000 0.931 304 K CB -0.085 32.465 32.500 0.084 0.000 0.714 304 K HN 0.097 nan 8.250 nan 0.000 0.440 305 I N 1.001 121.652 120.570 0.135 0.000 2.614 305 I HA -0.176 3.994 4.170 0.002 0.000 0.258 305 I C 0.375 176.645 176.117 0.255 0.000 1.189 305 I CA 0.819 62.218 61.300 0.165 0.000 1.462 305 I CB -0.152 37.929 38.000 0.135 0.000 1.092 305 I HN 0.249 nan 8.210 nan 0.000 0.442 306 L N -0.028 121.322 121.223 0.211 0.000 3.610 306 L HA -0.193 4.148 4.340 0.002 0.000 0.425 306 L C -0.118 176.954 176.870 0.337 0.000 1.254 306 L CA 0.019 54.982 54.840 0.205 0.000 0.874 306 L CB -2.175 39.928 42.059 0.074 0.000 1.932 306 L HN 0.368 nan 8.230 nan 0.000 0.790 307 A N -0.061 122.918 122.820 0.265 0.000 2.532 307 A HA 0.961 5.282 4.320 0.002 0.000 0.290 307 A C -0.401 177.310 177.584 0.213 0.000 1.143 307 A CA -0.013 52.199 52.037 0.291 0.000 0.728 307 A CB 2.277 21.368 19.000 0.152 0.000 1.317 307 A HN 0.710 nan 8.150 nan 0.000 0.414 308 V N -1.348 118.713 119.914 0.246 0.000 2.409 308 V HA 0.615 4.736 4.120 0.002 0.000 0.291 308 V C -2.304 173.892 176.094 0.170 0.000 1.020 308 V CA -2.076 60.325 62.300 0.167 0.000 0.848 308 V CB 1.328 33.230 31.823 0.131 0.000 0.990 308 V HN 0.687 nan 8.190 nan 0.000 0.430 309 P HA -0.088 nan 4.420 nan 0.000 0.236 309 P C -0.225 177.144 177.300 0.116 0.000 1.333 309 P CA 0.877 64.041 63.100 0.107 0.000 0.806 309 P CB -0.192 31.562 31.700 0.089 0.000 1.619 310 D N 1.244 121.740 120.400 0.159 0.000 2.458 310 D HA 0.120 4.761 4.640 0.002 0.000 0.258 310 D C -1.203 175.235 176.300 0.231 0.000 1.134 310 D CA -2.317 51.775 54.000 0.153 0.000 0.915 310 D CB 1.398 42.266 40.800 0.113 0.000 1.028 310 D HN 0.029 nan 8.370 nan 0.000 0.508 311 P HA -0.175 nan 4.420 nan 0.000 0.216 311 P C 1.499 178.937 177.300 0.230 0.000 1.157 311 P CA 1.274 64.469 63.100 0.157 0.000 0.880 311 P CB 0.037 31.817 31.700 0.133 0.000 0.791 312 G N 0.409 109.302 108.800 0.156 0.000 2.532 312 G HA2 -0.208 3.753 3.960 0.002 0.000 0.222 312 G HA3 -0.208 3.753 3.960 0.002 0.000 0.222 312 G C 1.368 176.293 174.900 0.042 0.000 1.102 312 G CA 0.289 45.449 45.100 0.100 0.000 0.742 312 G HN 0.302 nan 8.290 nan 0.000 0.577 313 L N 0.156 121.377 121.223 -0.003 0.000 2.777 313 L HA 0.280 4.621 4.340 0.002 0.000 0.244 313 L C -0.726 175.660 176.870 -0.808 0.000 1.235 313 L CA -0.258 54.369 54.840 -0.354 0.000 1.062 313 L CB -0.352 41.438 42.059 -0.448 0.000 1.340 313 L HN 0.146 nan 8.230 nan 0.000 0.439 314 Y N -1.988 118.267 120.300 -0.074 0.000 2.287 314 Y HA 0.263 4.814 4.550 0.002 0.000 0.325 314 Y C 1.220 177.063 175.900 -0.094 0.000 1.139 314 Y CA -0.961 57.071 58.100 -0.113 0.000 1.167 314 Y CB 1.070 39.444 38.460 -0.142 0.000 1.158 314 Y HN 0.008 nan 8.280 nan 0.000 0.434 315 G N 1.798 110.585 108.800 -0.021 0.000 2.532 315 G HA2 -0.259 3.702 3.960 0.002 0.000 0.222 315 G HA3 -0.259 3.702 3.960 0.002 0.000 0.222 315 G C 1.137 176.137 174.900 0.168 0.000 1.102 315 G CA 0.783 45.894 45.100 0.019 0.000 0.742 315 G HN 0.694 nan 8.290 nan 0.000 0.577 316 F N -0.643 119.277 119.950 -0.051 0.000 2.789 316 F HA 0.331 4.859 4.527 0.002 0.000 0.300 316 F C 2.051 177.702 175.800 -0.247 0.000 1.132 316 F CA -0.135 57.781 58.000 -0.140 0.000 1.404 316 F CB 0.304 39.188 39.000 -0.192 0.000 1.114 316 F HN 0.147 nan 8.300 nan 0.000 0.584 317 I N -0.566 120.000 120.570 -0.007 0.000 4.197 317 I HA -0.125 4.046 4.170 0.002 0.000 0.307 317 I C 1.527 177.663 176.117 0.031 0.000 1.236 317 I CA 0.215 61.437 61.300 -0.130 0.000 1.321 317 I CB -0.075 37.736 38.000 -0.316 0.000 1.309 317 I HN 0.003 nan 8.210 nan 0.000 0.450 318 N N 1.128 119.862 118.700 0.056 0.000 2.494 318 N HA -0.146 4.595 4.740 0.002 0.000 0.182 318 N C 1.407 176.939 175.510 0.035 0.000 1.076 318 N CA 0.717 53.808 53.050 0.069 0.000 0.908 318 N CB -0.476 38.043 38.487 0.054 0.000 0.967 318 N HN 0.371 nan 8.380 nan 0.000 0.449 319 Q N -0.071 119.738 119.800 0.015 0.000 2.173 319 Q HA -0.101 4.240 4.340 0.002 0.000 0.208 319 Q C 1.271 177.226 176.000 -0.074 0.000 0.989 319 Q CA 1.815 57.598 55.803 -0.034 0.000 0.872 319 Q CB -0.212 28.477 28.738 -0.082 0.000 0.909 319 Q HN 0.620 nan 8.270 nan 0.000 0.420 320 G N -0.692 108.070 108.800 -0.064 0.000 3.434 320 G HA2 0.200 4.161 3.960 0.002 0.000 0.192 320 G HA3 0.200 4.161 3.960 0.002 0.000 0.192 320 G C 0.024 174.907 174.900 -0.028 0.000 1.704 320 G CA -0.140 44.916 45.100 -0.075 0.000 0.936 320 G HN 0.118 nan 8.290 nan 0.000 0.623 321 T N -0.147 114.385 114.554 -0.035 0.000 2.880 321 T HA 0.449 4.800 4.350 0.002 0.000 0.279 321 T C 1.431 176.141 174.700 0.018 0.000 0.990 321 T CA -0.403 61.680 62.100 -0.028 0.000 0.938 321 T CB 1.343 70.169 68.868 -0.069 0.000 1.206 321 T HN 0.170 nan 8.240 nan 0.000 0.573 322 L N 0.140 121.371 121.223 0.014 0.000 2.347 322 L HA 0.274 4.615 4.340 0.002 0.000 0.196 322 L C 1.213 178.072 176.870 -0.018 0.000 1.072 322 L CA 0.225 55.114 54.840 0.081 0.000 0.817 322 L CB -0.051 42.056 42.059 0.081 0.000 1.029 322 L HN 0.774 nan 8.230 nan 0.000 0.478 323 T N -2.830 111.691 114.554 -0.055 0.000 2.841 323 T HA 0.680 5.031 4.350 0.002 0.000 0.296 323 T C -0.671 173.982 174.700 -0.078 0.000 1.166 323 T CA -0.692 61.361 62.100 -0.078 0.000 1.007 323 T CB 2.174 71.032 68.868 -0.015 0.000 1.253 323 T HN -0.204 nan 8.240 nan 0.000 0.511 324 V N 0.605 120.478 119.914 -0.067 0.000 2.919 324 V HA 0.484 4.605 4.120 0.002 0.000 0.316 324 V C -0.514 175.559 176.094 -0.035 0.000 1.077 324 V CA -1.116 61.153 62.300 -0.052 0.000 0.977 324 V CB 1.792 33.590 31.823 -0.042 0.000 1.039 324 V HN 0.952 nan 8.190 nan 0.000 0.441 325 D N 2.350 122.731 120.400 -0.031 0.000 2.371 325 D HA 0.418 5.059 4.640 0.002 0.000 0.256 325 D C 0.995 177.282 176.300 -0.023 0.000 1.193 325 D CA 1.442 55.427 54.000 -0.026 0.000 0.881 325 D CB 1.066 41.850 40.800 -0.027 0.000 1.143 325 D HN 1.095 nan 8.370 nan 0.000 0.473 326 G N 2.552 111.340 108.800 -0.020 0.000 2.204 326 G HA2 -0.242 3.719 3.960 0.002 0.000 0.244 326 G HA3 -0.242 3.719 3.960 0.002 0.000 0.244 326 G C 0.069 174.956 174.900 -0.022 0.000 1.062 326 G CA -0.389 44.700 45.100 -0.018 0.000 0.798 326 G HN 0.542 nan 8.290 nan 0.000 0.496 327 I N 0.374 120.930 120.570 -0.023 0.000 2.500 327 I HA 0.350 4.521 4.170 0.002 0.000 0.286 327 I C -1.284 174.823 176.117 -0.017 0.000 1.063 327 I CA -0.858 60.424 61.300 -0.031 0.000 1.062 327 I CB 1.598 39.570 38.000 -0.046 0.000 1.223 327 I HN 0.017 nan 8.210 nan 0.000 0.435 328 D N 6.985 127.377 120.400 -0.012 0.000 2.557 328 D HA 0.091 4.732 4.640 0.002 0.000 0.236 328 D C 0.766 177.074 176.300 0.014 0.000 1.154 328 D CA -0.147 53.855 54.000 0.004 0.000 0.985 328 D CB 0.634 41.437 40.800 0.005 0.000 1.010 328 D HN 0.498 nan 8.370 nan 0.000 0.516 329 D N 2.120 122.534 120.400 0.023 0.000 2.633 329 D HA -0.294 4.346 4.640 0.002 0.000 0.206 329 D C 1.492 177.828 176.300 0.059 0.000 1.055 329 D CA 1.551 55.579 54.000 0.047 0.000 0.903 329 D CB 0.076 40.927 40.800 0.084 0.000 1.115 329 D HN 0.569 nan 8.370 nan 0.000 0.479 330 E N 0.374 120.616 120.200 0.069 0.000 2.242 330 E HA -0.343 4.008 4.350 0.002 0.000 0.247 330 E C 1.991 178.643 176.600 0.087 0.000 1.056 330 E CA 1.936 58.384 56.400 0.080 0.000 0.999 330 E CB -0.425 29.304 29.700 0.048 0.000 0.891 330 E HN 0.446 nan 8.360 nan 0.000 0.512 331 E N 0.187 120.420 120.200 0.055 0.000 2.197 331 E HA -0.314 4.037 4.350 0.002 0.000 0.205 331 E C 1.981 178.620 176.600 0.065 0.000 1.029 331 E CA 1.723 58.154 56.400 0.052 0.000 0.828 331 E CB 0.080 29.797 29.700 0.027 0.000 0.737 331 E HN 0.229 nan 8.360 nan 0.000 0.464 332 E N 0.095 120.325 120.200 0.050 0.000 2.028 332 E HA -0.165 4.186 4.350 0.002 0.000 0.191 332 E C 2.018 178.665 176.600 0.077 0.000 0.988 332 E CA 0.665 57.088 56.400 0.038 0.000 0.799 332 E CB -0.425 29.273 29.700 -0.005 0.000 0.755 332 E HN 0.345 nan 8.360 nan 0.000 0.447 333 M N 0.920 120.587 119.600 0.111 0.000 2.337 333 M HA -0.109 4.372 4.480 0.002 0.000 0.261 333 M C 1.835 178.294 176.300 0.264 0.000 1.067 333 M CA 1.173 56.567 55.300 0.157 0.000 1.074 333 M CB -1.109 31.626 32.600 0.225 0.000 1.395 333 M HN 0.108 nan 8.290 nan 0.000 0.431 334 G N -0.182 108.769 108.800 0.251 0.000 2.551 334 G HA2 -0.117 3.844 3.960 0.002 0.000 0.214 334 G HA3 -0.117 3.844 3.960 0.002 0.000 0.214 334 G C 1.464 176.479 174.900 0.193 0.000 1.250 334 G CA 0.252 45.521 45.100 0.282 0.000 0.825 334 G HN 0.445 nan 8.290 nan 0.000 0.549 335 L N 0.671 121.964 121.223 0.116 0.000 2.089 335 L HA -0.191 4.150 4.340 0.002 0.000 0.213 335 L C 3.157 180.068 176.870 0.068 0.000 1.079 335 L CA 1.713 56.599 54.840 0.076 0.000 0.758 335 L CB -0.976 41.108 42.059 0.042 0.000 0.891 335 L HN 0.232 nan 8.230 nan 0.000 0.433 336 T N -0.992 113.603 114.554 0.068 0.000 2.622 336 T HA -0.245 4.106 4.350 0.002 0.000 0.266 336 T C 1.621 176.398 174.700 0.129 0.000 1.047 336 T CA 1.851 63.974 62.100 0.038 0.000 1.159 336 T CB -0.297 68.592 68.868 0.035 0.000 0.863 336 T HN 0.374 nan 8.240 nan 0.000 0.422 337 D N 0.405 120.923 120.400 0.196 0.000 2.144 337 D HA -0.088 4.553 4.640 0.002 0.000 0.199 337 D C 2.183 178.606 176.300 0.204 0.000 0.984 337 D CA 1.241 55.379 54.000 0.230 0.000 0.834 337 D CB -0.430 40.360 40.800 -0.016 0.000 0.955 337 D HN 0.286 nan 8.370 nan 0.000 0.465 338 T N -0.277 114.377 114.554 0.166 0.000 2.746 338 T HA -0.045 4.306 4.350 0.002 0.000 0.267 338 T C 1.888 176.642 174.700 0.091 0.000 1.039 338 T CA 1.564 63.738 62.100 0.123 0.000 1.142 338 T CB -0.377 68.553 68.868 0.104 0.000 0.866 338 T HN 0.272 nan 8.240 nan 0.000 0.444 339 A N 0.590 123.452 122.820 0.068 0.000 2.015 339 A HA 0.046 4.367 4.320 0.002 0.000 0.219 339 A C 1.853 179.466 177.584 0.049 0.000 1.163 339 A CA 0.919 52.965 52.037 0.015 0.000 0.646 339 A CB -0.851 18.120 19.000 -0.047 0.000 0.806 339 A HN 0.426 nan 8.150 nan 0.000 0.448 340 F N 1.061 121.026 119.950 0.023 0.000 2.333 340 F HA -0.106 4.422 4.527 0.002 0.000 0.300 340 F C 1.198 176.981 175.800 -0.028 0.000 1.083 340 F CA 1.505 59.522 58.000 0.029 0.000 1.395 340 F CB -0.252 38.782 39.000 0.058 0.000 1.056 340 F HN 0.374 nan 8.300 nan 0.000 0.529 341 D N -1.653 118.835 120.400 0.146 0.000 2.327 341 D HA -0.021 4.620 4.640 0.002 0.000 0.205 341 D C 2.267 178.530 176.300 -0.061 0.000 0.989 341 D CA 0.443 54.453 54.000 0.016 0.000 0.873 341 D CB -0.232 40.580 40.800 0.019 0.000 0.955 341 D HN 0.050 nan 8.370 nan 0.000 0.515 342 V N 1.079 120.971 119.914 -0.036 0.000 2.307 342 V HA -0.159 3.962 4.120 0.002 0.000 0.245 342 V C 2.226 178.234 176.094 -0.143 0.000 1.045 342 V CA 1.160 63.417 62.300 -0.071 0.000 1.024 342 V CB -0.403 31.395 31.823 -0.042 0.000 0.651 342 V HN 0.305 nan 8.190 nan 0.000 0.449 343 L N 0.535 121.673 121.223 -0.142 0.000 2.362 343 L HA 0.107 4.447 4.340 0.002 0.000 0.219 343 L C 1.489 177.929 176.870 -0.717 0.000 1.134 343 L CA 1.064 55.757 54.840 -0.246 0.000 0.807 343 L CB -1.416 40.635 42.059 -0.013 0.000 0.927 343 L HN 0.628 nan 8.230 nan 0.000 0.447 344 G N 1.199 109.715 108.800 -0.475 0.000 2.354 344 G HA2 -0.298 3.663 3.960 0.002 0.000 0.278 344 G HA3 -0.298 3.663 3.960 0.002 0.000 0.278 344 G C -0.500 173.919 174.900 -0.802 0.000 0.953 344 G CA -0.088 44.695 45.100 -0.529 0.000 1.346 344 G HN 0.268 nan 8.290 nan 0.000 0.467 345 F N 0.055 120.016 119.950 0.017 0.000 2.556 345 F HA 0.456 4.984 4.527 0.002 0.000 0.314 345 F C 1.246 177.006 175.800 -0.067 0.000 1.106 345 F CA -0.832 57.159 58.000 -0.014 0.000 0.911 345 F CB 1.843 40.844 39.000 0.002 0.000 1.190 345 F HN 0.218 nan 8.300 nan 0.000 0.448 346 T N 2.299 116.943 114.554 0.149 0.000 2.274 346 T HA -0.179 4.171 4.350 0.002 0.000 0.178 346 T C 0.716 175.371 174.700 -0.074 0.000 1.049 346 T CA 0.437 62.553 62.100 0.026 0.000 1.255 346 T CB -0.072 68.815 68.868 0.031 0.000 0.980 346 T HN 0.534 nan 8.240 nan 0.000 0.434 347 D N 2.133 122.474 120.400 -0.097 0.000 2.403 347 D HA -0.071 4.570 4.640 0.002 0.000 0.227 347 D C 1.699 177.886 176.300 -0.190 0.000 0.995 347 D CA 0.617 54.517 54.000 -0.167 0.000 0.928 347 D CB 0.244 40.976 40.800 -0.114 0.000 0.887 347 D HN 0.628 nan 8.370 nan 0.000 0.529 348 E N 1.220 121.337 120.200 -0.138 0.000 2.099 348 E HA -0.056 4.295 4.350 0.002 0.000 0.191 348 E C 1.734 178.232 176.600 -0.169 0.000 0.962 348 E CA 0.634 56.953 56.400 -0.134 0.000 0.826 348 E CB 0.106 29.755 29.700 -0.086 0.000 0.788 348 E HN 0.202 nan 8.360 nan 0.000 0.461 349 E N 0.947 121.065 120.200 -0.136 0.000 2.049 349 E HA -0.262 4.088 4.350 0.002 0.000 0.198 349 E C 1.996 178.452 176.600 -0.239 0.000 1.007 349 E CA 1.451 57.768 56.400 -0.138 0.000 0.809 349 E CB -0.257 29.446 29.700 0.005 0.000 0.749 349 E HN 0.132 nan 8.360 nan 0.000 0.450 350 K N 0.847 121.031 120.400 -0.361 0.000 2.189 350 K HA -0.248 4.073 4.320 0.002 0.000 0.207 350 K C 2.108 178.270 176.600 -0.730 0.000 1.046 350 K CA 1.079 56.948 56.287 -0.697 0.000 0.928 350 K CB -0.093 31.968 32.500 -0.732 0.000 0.720 350 K HN 0.035 nan 8.250 nan 0.000 0.458 351 L N 0.566 121.518 121.223 -0.453 0.000 1.971 351 L HA -0.099 4.242 4.340 0.002 0.000 0.208 351 L C 2.063 178.823 176.870 -0.183 0.000 1.083 351 L CA 1.850 56.493 54.840 -0.328 0.000 0.753 351 L CB -0.945 40.989 42.059 -0.207 0.000 0.893 351 L HN 0.088 nan 8.230 nan 0.000 0.436 352 S N -0.308 115.288 115.700 -0.174 0.000 2.406 352 S HA -0.386 4.085 4.470 0.002 0.000 0.242 352 S C 1.926 176.473 174.600 -0.090 0.000 1.079 352 S CA 2.359 60.467 58.200 -0.154 0.000 1.133 352 S CB -0.698 62.371 63.200 -0.218 0.000 1.005 352 S HN 0.538 nan 8.310 nan 0.000 0.443 353 M N 0.727 120.282 119.600 -0.075 0.000 2.163 353 M HA -0.166 4.315 4.480 0.002 0.000 0.258 353 M C 1.668 178.115 176.300 0.245 0.000 1.071 353 M CA 1.784 57.131 55.300 0.079 0.000 1.093 353 M CB -0.995 31.695 32.600 0.150 0.000 1.285 353 M HN 0.472 nan 8.290 nan 0.000 0.420 354 Y N -0.151 120.139 120.300 -0.017 0.000 2.030 354 Y HA -0.377 4.174 4.550 0.002 0.000 0.274 354 Y C 2.454 178.349 175.900 -0.009 0.000 1.153 354 Y CA 1.507 59.605 58.100 -0.004 0.000 1.115 354 Y CB -0.602 37.830 38.460 -0.047 0.000 0.969 354 Y HN 0.253 nan 8.280 nan 0.000 0.488 355 K N -0.278 120.213 120.400 0.153 0.000 2.071 355 K HA -0.315 4.006 4.320 0.002 0.000 0.217 355 K C 2.091 178.732 176.600 0.068 0.000 1.054 355 K CA 2.091 58.419 56.287 0.068 0.000 0.937 355 K CB -0.743 31.742 32.500 -0.024 0.000 0.719 355 K HN 0.375 nan 8.250 nan 0.000 0.454 356 C N 0.401 119.730 119.300 0.049 0.000 2.376 356 C HA -0.174 4.287 4.460 0.002 0.000 0.275 356 C C 2.841 177.911 174.990 0.133 0.000 1.200 356 C CA 1.466 60.521 59.018 0.062 0.000 1.756 356 C CB -1.227 26.529 27.740 0.025 0.000 2.050 356 C HN 0.576 nan 8.230 nan 0.000 0.460 357 T N 0.595 115.231 114.554 0.137 0.000 2.624 357 T HA -0.138 4.213 4.350 0.002 0.000 0.268 357 T C 1.969 176.768 174.700 0.164 0.000 1.041 357 T CA 2.088 64.261 62.100 0.122 0.000 1.159 357 T CB -0.857 67.961 68.868 -0.083 0.000 0.863 357 T HN 0.730 nan 8.240 nan 0.000 0.434 358 G N 0.003 108.853 108.800 0.084 0.000 2.418 358 G HA2 -0.274 3.687 3.960 0.002 0.000 0.217 358 G HA3 -0.274 3.687 3.960 0.002 0.000 0.217 358 G C 1.971 176.902 174.900 0.052 0.000 1.158 358 G CA 1.021 46.140 45.100 0.032 0.000 0.771 358 G HN 0.603 nan 8.290 nan 0.000 0.545 359 C N 0.540 119.934 119.300 0.158 0.000 2.398 359 C HA -0.050 4.411 4.460 0.002 0.000 0.279 359 C C 2.850 177.959 174.990 0.198 0.000 1.250 359 C CA 0.853 60.004 59.018 0.221 0.000 1.786 359 C CB -1.064 26.769 27.740 0.155 0.000 2.018 359 C HN 0.480 nan 8.230 nan 0.000 0.494 360 I N 0.311 121.012 120.570 0.220 0.000 2.493 360 I HA -0.166 4.005 4.170 0.002 0.000 0.254 360 I C 2.216 178.455 176.117 0.203 0.000 1.160 360 I CA 1.245 62.719 61.300 0.291 0.000 1.445 360 I CB -0.332 37.927 38.000 0.432 0.000 1.086 360 I HN 0.379 nan 8.210 nan 0.000 0.433 361 L N -0.244 120.974 121.223 -0.009 0.000 2.291 361 L HA -0.155 4.186 4.340 0.002 0.000 0.214 361 L C 2.333 179.099 176.870 -0.174 0.000 1.120 361 L CA 0.808 55.516 54.840 -0.219 0.000 0.799 361 L CB -0.664 41.024 42.059 -0.619 0.000 0.925 361 L HN 0.388 nan 8.230 nan 0.000 0.446 362 H N -0.707 118.432 119.070 0.116 0.000 2.553 362 H HA 0.117 4.674 4.556 0.002 0.000 0.276 362 H C 2.278 177.593 175.328 -0.022 0.000 0.979 362 H CA 0.537 56.626 56.048 0.069 0.000 1.268 362 H CB 0.216 30.026 29.762 0.081 0.000 1.450 362 H HN 0.265 nan 8.280 nan 0.000 0.527 363 L N 0.308 121.597 121.223 0.109 0.000 2.265 363 L HA -0.038 4.303 4.340 0.002 0.000 0.215 363 L C 2.473 179.224 176.870 -0.199 0.000 1.117 363 L CA 1.182 56.063 54.840 0.069 0.000 0.782 363 L CB -0.263 41.928 42.059 0.219 0.000 0.914 363 L HN 0.244 nan 8.230 nan 0.000 0.441 364 G N -1.395 107.067 108.800 -0.563 0.000 2.683 364 G HA2 -0.082 3.879 3.960 0.002 0.000 0.213 364 G HA3 -0.082 3.879 3.960 0.002 0.000 0.213 364 G C 1.497 176.080 174.900 -0.529 0.000 1.142 364 G CA -0.022 44.354 45.100 -1.207 0.000 0.793 364 G HN 0.185 nan 8.290 nan 0.000 0.534 365 E N 0.461 120.491 120.200 -0.282 0.000 2.140 365 E HA 0.100 4.451 4.350 0.002 0.000 0.191 365 E C 1.365 177.815 176.600 -0.249 0.000 0.973 365 E CA -0.037 56.240 56.400 -0.204 0.000 0.829 365 E CB -0.221 29.428 29.700 -0.085 0.000 0.781 365 E HN 0.404 nan 8.360 nan 0.000 0.466 366 M N 2.351 121.792 119.600 -0.265 0.000 2.323 366 M HA -0.094 4.387 4.480 0.002 0.000 0.386 366 M C 0.046 175.902 176.300 -0.739 0.000 1.525 366 M CA 0.739 55.751 55.300 -0.479 0.000 0.914 366 M CB -0.274 32.090 32.600 -0.394 0.000 2.042 366 M HN -0.311 nan 8.290 nan 0.000 0.483 367 K N 2.942 122.865 120.400 -0.795 0.000 2.132 367 K HA 0.742 5.063 4.320 0.002 0.000 0.241 367 K C -1.257 174.758 176.600 -0.976 0.000 1.000 367 K CA -0.226 55.664 56.287 -0.661 0.000 0.911 367 K CB 1.110 33.418 32.500 -0.321 0.000 1.093 367 K HN 0.573 nan 8.250 nan 0.000 0.460 368 W N -0.706 120.593 121.300 -0.002 0.000 3.042 368 W HA 0.537 5.197 4.660 0.002 0.000 0.342 368 W C -0.466 176.055 176.519 0.004 0.000 1.240 368 W CA -0.796 56.551 57.345 0.003 0.000 1.166 368 W CB 1.845 31.311 29.460 0.010 0.000 1.469 368 W HN 0.351 nan 8.180 nan 0.000 0.579 369 K N 1.075 121.660 120.400 0.308 0.000 2.533 369 K HA 0.506 4.827 4.320 0.002 0.000 0.284 369 K C -1.675 174.999 176.600 0.125 0.000 1.025 369 K CA -0.701 55.683 56.287 0.161 0.000 0.900 369 K CB 1.901 34.466 32.500 0.109 0.000 1.519 369 K HN 0.487 nan 8.250 nan 0.000 0.432 370 Q N 1.133 120.979 119.800 0.077 0.000 2.416 370 Q HA 0.607 4.948 4.340 0.002 0.000 0.281 370 Q C -1.014 175.007 176.000 0.035 0.000 1.067 370 Q CA -1.170 54.662 55.803 0.048 0.000 0.809 370 Q CB 1.810 30.568 28.738 0.035 0.000 1.418 370 Q HN 0.260 nan 8.270 nan 0.000 0.411 371 R N 0.930 121.444 120.500 0.024 0.000 2.288 371 R HA 0.457 4.798 4.340 0.002 0.000 0.326 371 R C 0.664 176.972 176.300 0.013 0.000 0.959 371 R CA 0.596 56.707 56.100 0.018 0.000 0.834 371 R CB 0.635 30.945 30.300 0.016 0.000 1.157 371 R HN 1.077 nan 8.270 nan 0.000 0.470 372 G N 3.498 112.306 108.800 0.013 0.000 5.059 372 G HA2 -0.367 3.594 3.960 0.002 0.000 0.336 372 G HA3 -0.367 3.594 3.960 0.002 0.000 0.336 372 G C 0.171 175.077 174.900 0.010 0.000 1.364 372 G CA 0.643 45.750 45.100 0.011 0.000 1.020 372 G HN 0.541 nan 8.290 nan 0.000 0.807 373 E N -0.476 119.727 120.200 0.007 0.000 3.653 373 E HA 0.453 4.804 4.350 0.002 0.000 0.275 373 E C -0.858 175.740 176.600 -0.004 0.000 1.139 373 E CA -0.082 56.320 56.400 0.003 0.000 1.227 373 E CB 1.004 30.706 29.700 0.003 0.000 1.277 373 E HN 0.378 nan 8.360 nan 0.000 0.394 374 Q N 0.962 120.759 119.800 -0.006 0.000 2.331 374 Q HA 0.555 4.896 4.340 0.002 0.000 0.249 374 Q C -1.779 174.210 176.000 -0.019 0.000 0.913 374 Q CA -0.318 55.473 55.803 -0.019 0.000 0.874 374 Q CB 1.559 30.287 28.738 -0.016 0.000 1.384 374 Q HN 0.279 nan 8.270 nan 0.000 0.427 375 A N 3.669 126.460 122.820 -0.048 0.000 2.340 375 A HA 0.736 5.057 4.320 0.002 0.000 0.268 375 A C -0.435 177.121 177.584 -0.046 0.000 1.100 375 A CA -0.045 51.967 52.037 -0.042 0.000 0.803 375 A CB 0.468 19.404 19.000 -0.108 0.000 1.043 375 A HN 0.786 nan 8.150 nan 0.000 0.488 376 E N 0.817 121.056 120.200 0.067 0.000 2.416 376 E HA 0.689 5.040 4.350 0.002 0.000 0.273 376 E C -0.279 176.556 176.600 0.392 0.000 0.935 376 E CA -0.862 55.618 56.400 0.133 0.000 0.784 376 E CB 1.634 31.391 29.700 0.094 0.000 1.301 376 E HN 0.832 nan 8.360 nan 0.000 0.454 377 A N 0.811 123.912 122.820 0.468 0.000 2.492 377 A HA 0.103 4.424 4.320 0.002 0.000 0.236 377 A C 0.110 177.806 177.584 0.187 0.000 1.078 377 A CA 0.347 52.692 52.037 0.513 0.000 0.773 377 A CB 0.141 19.352 19.000 0.351 0.000 1.023 377 A HN 0.706 nan 8.150 nan 0.000 0.504 378 D N -0.384 120.005 120.400 -0.018 0.000 2.945 378 D HA 0.454 5.094 4.640 0.002 0.000 0.366 378 D C 0.165 176.394 176.300 -0.118 0.000 1.352 378 D CA 1.049 55.016 54.000 -0.055 0.000 0.810 378 D CB -0.039 40.716 40.800 -0.075 0.000 1.170 378 D HN 1.064 nan 8.370 nan 0.000 0.461 379 G N -1.060 107.686 108.800 -0.090 0.000 2.350 379 G HA2 0.168 4.129 3.960 0.002 0.000 0.276 379 G HA3 0.168 4.129 3.960 0.002 0.000 0.276 379 G C -0.038 174.823 174.900 -0.066 0.000 1.313 379 G CA 0.113 45.157 45.100 -0.093 0.000 0.903 379 G HN -0.056 nan 8.290 nan 0.000 0.490 380 T N -0.726 113.791 114.554 -0.063 0.000 3.526 380 T HA 0.354 4.705 4.350 0.002 0.000 0.292 380 T C 1.769 176.447 174.700 -0.036 0.000 0.872 380 T CA 1.155 63.238 62.100 -0.029 0.000 0.843 380 T CB -0.102 68.763 68.868 -0.005 0.000 1.227 380 T HN 1.412 nan 8.240 nan 0.000 0.776 381 A N 1.828 124.614 122.820 -0.057 0.000 1.840 381 A HA 0.018 4.339 4.320 0.002 0.000 0.214 381 A C 1.965 179.507 177.584 -0.070 0.000 1.198 381 A CA 1.814 53.815 52.037 -0.060 0.000 0.608 381 A CB -0.437 18.525 19.000 -0.064 0.000 0.839 381 A HN 0.394 nan 8.150 nan 0.000 0.443 382 E N 0.503 120.653 120.200 -0.084 0.000 2.049 382 E HA -0.133 4.218 4.350 0.002 0.000 0.198 382 E C 2.234 178.815 176.600 -0.031 0.000 1.007 382 E CA 1.556 57.913 56.400 -0.072 0.000 0.809 382 E CB -0.652 28.998 29.700 -0.084 0.000 0.749 382 E HN 0.563 nan 8.360 nan 0.000 0.450 383 A N 1.651 124.457 122.820 -0.023 0.000 1.870 383 A HA -0.385 3.936 4.320 0.002 0.000 0.219 383 A C 2.165 179.778 177.584 0.048 0.000 1.224 383 A CA 2.627 54.689 52.037 0.042 0.000 0.650 383 A CB -1.079 17.960 19.000 0.064 0.000 0.836 383 A HN 0.506 nan 8.150 nan 0.000 0.454 384 E N -0.148 120.068 120.200 0.026 0.000 2.160 384 E HA -0.237 4.113 4.350 0.002 0.000 0.195 384 E C 1.900 178.542 176.600 0.069 0.000 0.991 384 E CA 1.342 57.766 56.400 0.041 0.000 0.810 384 E CB -0.346 29.357 29.700 0.005 0.000 0.742 384 E HN 0.660 nan 8.360 nan 0.000 0.466 385 K N 0.938 121.343 120.400 0.009 0.000 2.032 385 K HA -0.157 4.164 4.320 0.002 0.000 0.209 385 K C 2.530 179.161 176.600 0.053 0.000 1.048 385 K CA 2.057 58.328 56.287 -0.026 0.000 0.927 385 K CB -0.343 31.984 32.500 -0.290 0.000 0.712 385 K HN 0.252 nan 8.250 nan 0.000 0.441 386 V N -1.456 118.498 119.914 0.068 0.000 2.379 386 V HA -0.067 4.054 4.120 0.002 0.000 0.245 386 V C 2.303 178.451 176.094 0.091 0.000 1.044 386 V CA 1.546 63.911 62.300 0.108 0.000 1.036 386 V CB -1.031 30.871 31.823 0.132 0.000 0.664 386 V HN 0.211 nan 8.190 nan 0.000 0.453 387 A N 0.317 123.197 122.820 0.101 0.000 1.917 387 A HA -0.185 4.135 4.320 0.002 0.000 0.219 387 A C 2.104 179.773 177.584 0.142 0.000 1.182 387 A CA 2.326 54.424 52.037 0.102 0.000 0.633 387 A CB -0.841 18.216 19.000 0.096 0.000 0.819 387 A HN 0.688 nan 8.150 nan 0.000 0.448 388 F N 0.159 120.107 119.950 -0.004 0.000 2.074 388 F HA 0.029 4.557 4.527 0.002 0.000 0.290 388 F C 1.872 177.671 175.800 -0.003 0.000 1.118 388 F CA 1.243 59.237 58.000 -0.009 0.000 1.199 388 F CB -0.857 38.133 39.000 -0.017 0.000 1.012 388 F HN 0.107 nan 8.300 nan 0.000 0.472 389 L N 0.151 121.211 121.223 -0.272 0.000 2.151 389 L HA -0.303 4.038 4.340 0.002 0.000 0.215 389 L C 2.316 179.030 176.870 -0.260 0.000 1.084 389 L CA 1.409 56.038 54.840 -0.351 0.000 0.764 389 L CB -0.653 41.361 42.059 -0.073 0.000 0.891 389 L HN 0.304 nan 8.230 nan 0.000 0.435 390 L N -1.526 119.613 121.223 -0.140 0.000 2.298 390 L HA 0.185 4.526 4.340 0.002 0.000 0.209 390 L C 1.236 178.035 176.870 -0.119 0.000 1.084 390 L CA 0.587 55.364 54.840 -0.105 0.000 0.816 390 L CB -0.350 41.684 42.059 -0.041 0.000 0.967 390 L HN 0.401 nan 8.230 nan 0.000 0.460 391 G N 1.084 109.835 108.800 -0.082 0.000 2.467 391 G HA2 -0.116 3.845 3.960 0.002 0.000 0.242 391 G HA3 -0.116 3.845 3.960 0.002 0.000 0.242 391 G C -0.534 174.360 174.900 -0.010 0.000 1.127 391 G CA -0.071 45.008 45.100 -0.035 0.000 0.924 391 G HN 0.065 nan 8.290 nan 0.000 0.499 392 V N -0.398 119.531 119.914 0.025 0.000 3.206 392 V HA 0.581 4.702 4.120 0.002 0.000 0.305 392 V C -0.534 175.585 176.094 0.043 0.000 1.257 392 V CA -1.621 60.688 62.300 0.015 0.000 1.057 392 V CB 2.160 33.981 31.823 -0.003 0.000 1.075 392 V HN 0.301 nan 8.190 nan 0.000 0.443 393 N N 1.266 119.984 118.700 0.029 0.000 2.439 393 N HA 0.413 5.154 4.740 0.002 0.000 0.249 393 N C 0.991 176.523 175.510 0.037 0.000 1.003 393 N CA 0.445 53.516 53.050 0.034 0.000 0.942 393 N CB 1.806 40.306 38.487 0.021 0.000 1.115 393 N HN 0.890 nan 8.380 nan 0.000 0.505 394 A N 3.448 126.296 122.820 0.048 0.000 1.906 394 A HA -0.281 4.040 4.320 0.002 0.000 0.222 394 A C 2.083 179.697 177.584 0.051 0.000 1.282 394 A CA 2.606 54.676 52.037 0.055 0.000 0.675 394 A CB -1.374 17.656 19.000 0.050 0.000 0.838 394 A HN 0.693 nan 8.150 nan 0.000 0.469 395 G N -0.265 108.557 108.800 0.037 0.000 2.672 395 G HA2 -0.384 3.577 3.960 0.002 0.000 0.218 395 G HA3 -0.384 3.577 3.960 0.002 0.000 0.218 395 G C 1.170 176.086 174.900 0.027 0.000 1.238 395 G CA 1.381 46.499 45.100 0.031 0.000 0.791 395 G HN 0.576 nan 8.290 nan 0.000 0.606 396 D N 0.342 120.754 120.400 0.019 0.000 2.116 396 D HA -0.150 4.491 4.640 0.002 0.000 0.193 396 D C 2.431 178.741 176.300 0.016 0.000 0.998 396 D CA 1.283 55.290 54.000 0.012 0.000 0.836 396 D CB -0.533 40.272 40.800 0.007 0.000 0.951 396 D HN 0.239 nan 8.370 nan 0.000 0.449 397 L N 1.167 122.408 121.223 0.029 0.000 1.956 397 L HA -0.194 4.147 4.340 0.002 0.000 0.216 397 L C 2.416 179.313 176.870 0.044 0.000 1.073 397 L CA 1.589 56.453 54.840 0.040 0.000 0.762 397 L CB -0.885 41.212 42.059 0.064 0.000 0.889 397 L HN 0.029 nan 8.230 nan 0.000 0.433 398 L N -0.751 120.514 121.223 0.071 0.000 2.081 398 L HA -0.245 4.096 4.340 0.002 0.000 0.212 398 L C 2.734 179.606 176.870 0.004 0.000 1.080 398 L CA 1.197 56.084 54.840 0.077 0.000 0.754 398 L CB -0.699 41.437 42.059 0.129 0.000 0.893 398 L HN 0.339 nan 8.230 nan 0.000 0.433 399 K N 0.235 120.638 120.400 0.006 0.000 1.973 399 K HA -0.188 4.133 4.320 0.002 0.000 0.212 399 K C 2.184 178.765 176.600 -0.032 0.000 1.047 399 K CA 1.940 58.217 56.287 -0.016 0.000 0.937 399 K CB -0.826 31.668 32.500 -0.009 0.000 0.721 399 K HN 0.534 nan 8.250 nan 0.000 0.440 400 C N 0.633 119.921 119.300 -0.020 0.000 2.422 400 C HA 0.086 4.547 4.460 0.002 0.000 0.286 400 C C 2.611 177.579 174.990 -0.037 0.000 1.412 400 C CA -0.003 59.002 59.018 -0.022 0.000 1.786 400 C CB -1.401 26.332 27.740 -0.011 0.000 1.835 400 C HN 0.237 nan 8.230 nan 0.000 0.533 401 L N -0.055 121.136 121.223 -0.053 0.000 2.145 401 L HA 0.113 4.454 4.340 0.002 0.000 0.201 401 L C 2.820 179.566 176.870 -0.205 0.000 1.075 401 L CA 1.143 55.921 54.840 -0.105 0.000 0.773 401 L CB -0.405 41.603 42.059 -0.085 0.000 0.936 401 L HN 0.291 nan 8.230 nan 0.000 0.451 402 L N -0.146 120.944 121.223 -0.221 0.000 2.209 402 L HA -0.023 4.318 4.340 0.002 0.000 0.207 402 L C 0.402 177.187 176.870 -0.142 0.000 1.094 402 L CA 0.743 55.432 54.840 -0.251 0.000 0.790 402 L CB 0.061 41.988 42.059 -0.219 0.000 0.932 402 L HN 0.256 nan 8.230 nan 0.000 0.447 403 K N -0.093 120.250 120.400 -0.096 0.000 2.762 403 K HA 0.375 4.696 4.320 0.002 0.000 0.272 403 K C -3.049 173.519 176.600 -0.054 0.000 1.093 403 K CA -1.334 54.910 56.287 -0.071 0.000 1.048 403 K CB 1.622 34.078 32.500 -0.072 0.000 1.304 403 K HN -0.231 nan 8.250 nan 0.000 0.511 404 P HA 0.331 nan 4.420 nan 0.000 0.284 404 P C -1.192 176.098 177.300 -0.018 0.000 1.287 404 P CA -0.703 62.387 63.100 -0.017 0.000 0.824 404 P CB 1.195 32.900 31.700 0.008 0.000 1.180 405 K N 0.725 121.122 120.400 -0.005 0.000 2.471 405 K HA 0.568 4.889 4.320 0.002 0.000 0.252 405 K C -0.136 176.483 176.600 0.032 0.000 0.938 405 K CA -0.535 55.751 56.287 -0.002 0.000 0.796 405 K CB 2.045 34.531 32.500 -0.023 0.000 1.161 405 K HN 0.369 nan 8.250 nan 0.000 0.425 406 I N 0.893 121.500 120.570 0.062 0.000 4.630 406 I HA 0.427 4.598 4.170 0.002 0.000 0.188 406 I C 0.213 176.374 176.117 0.074 0.000 0.920 406 I CA -0.954 60.389 61.300 0.072 0.000 1.706 406 I CB 0.952 39.005 38.000 0.089 0.000 1.234 406 I HN 0.454 nan 8.210 nan 0.000 0.390 407 K N -0.884 119.559 120.400 0.073 0.000 1.790 407 K HA 0.701 5.022 4.320 0.002 0.000 0.263 407 K C -0.647 175.982 176.600 0.049 0.000 0.838 407 K CA -0.604 55.719 56.287 0.061 0.000 0.662 407 K CB 1.992 34.519 32.500 0.045 0.000 2.216 407 K HN 0.272 nan 8.250 nan 0.000 0.769 408 V N -2.262 117.672 119.914 0.034 0.000 4.245 408 V HA -0.020 4.100 4.120 0.002 0.000 0.202 408 V C 0.399 176.504 176.094 0.018 0.000 1.565 408 V CA 0.745 63.056 62.300 0.019 0.000 0.796 408 V CB 0.556 32.384 31.823 0.009 0.000 0.857 408 V HN 0.951 nan 8.190 nan 0.000 0.546 409 G N 0.008 108.822 108.800 0.023 0.000 4.180 409 G HA2 0.272 4.233 3.960 0.002 0.000 0.166 409 G HA3 0.272 4.233 3.960 0.002 0.000 0.166 409 G C 0.292 175.207 174.900 0.025 0.000 0.816 409 G CA 1.091 46.203 45.100 0.020 0.000 0.880 409 G HN 0.892 nan 8.290 nan 0.000 0.399 410 T N -0.842 113.732 114.554 0.032 0.000 2.938 410 T HA 0.746 5.097 4.350 0.002 0.000 0.285 410 T C -0.995 173.740 174.700 0.058 0.000 1.028 410 T CA -0.674 61.451 62.100 0.042 0.000 1.005 410 T CB 2.766 71.662 68.868 0.047 0.000 1.157 410 T HN 0.026 nan 8.240 nan 0.000 0.550 411 E N 0.408 120.647 120.200 0.065 0.000 2.207 411 E HA 0.278 4.629 4.350 0.002 0.000 0.250 411 E C -1.620 175.042 176.600 0.103 0.000 0.890 411 E CA -0.587 55.858 56.400 0.075 0.000 0.749 411 E CB 1.312 31.037 29.700 0.042 0.000 1.193 411 E HN 0.587 nan 8.360 nan 0.000 0.423 412 Y N 1.924 122.225 120.300 0.003 0.000 2.300 412 Y HA 0.148 4.699 4.550 0.002 0.000 0.328 412 Y C 0.187 176.087 175.900 0.000 0.000 1.270 412 Y CA -0.550 57.550 58.100 -0.001 0.000 1.352 412 Y CB 0.965 39.423 38.460 -0.004 0.000 1.286 412 Y HN 0.194 nan 8.280 nan 0.000 0.536 413 V N 4.432 123.962 119.914 -0.640 0.000 2.229 413 V HA -0.003 4.118 4.120 0.002 0.000 0.245 413 V C 0.984 176.956 176.094 -0.203 0.000 1.243 413 V CA 0.471 62.528 62.300 -0.404 0.000 1.176 413 V CB -0.890 30.655 31.823 -0.463 0.000 1.323 413 V HN 0.987 nan 8.190 nan 0.000 0.499 414 T N -0.303 114.276 114.554 0.041 0.000 3.288 414 T HA -0.260 4.091 4.350 0.002 0.000 0.267 414 T C 1.442 176.175 174.700 0.056 0.000 1.201 414 T CA 1.041 63.216 62.100 0.126 0.000 1.036 414 T CB -0.523 68.411 68.868 0.110 0.000 0.891 414 T HN 0.672 nan 8.240 nan 0.000 0.571 415 Q N 1.014 120.806 119.800 -0.012 0.000 2.540 415 Q HA -0.172 4.169 4.340 0.002 0.000 0.218 415 Q C 2.281 178.276 176.000 -0.009 0.000 0.990 415 Q CA 1.196 56.979 55.803 -0.034 0.000 0.908 415 Q CB -1.162 27.528 28.738 -0.079 0.000 0.937 415 Q HN 0.778 nan 8.270 nan 0.000 0.499 416 G N 1.555 110.373 108.800 0.029 0.000 2.950 416 G HA2 -0.321 3.640 3.960 0.002 0.000 0.225 416 G HA3 -0.321 3.640 3.960 0.002 0.000 0.225 416 G C 0.432 175.326 174.900 -0.010 0.000 1.069 416 G CA 0.523 45.634 45.100 0.018 0.000 0.716 416 G HN 0.305 nan 8.290 nan 0.000 0.644 417 R N 0.694 121.181 120.500 -0.023 0.000 2.595 417 R HA -0.020 4.321 4.340 0.002 0.000 0.269 417 R C 0.547 176.814 176.300 -0.054 0.000 0.977 417 R CA 1.153 57.224 56.100 -0.049 0.000 1.093 417 R CB -0.450 29.799 30.300 -0.085 0.000 0.904 417 R HN 0.699 nan 8.270 nan 0.000 0.425 418 N N -1.154 117.509 118.700 -0.063 0.000 3.418 418 N HA 0.176 4.917 4.740 0.002 0.000 0.316 418 N C 0.167 175.638 175.510 -0.065 0.000 1.601 418 N CA -0.790 52.232 53.050 -0.047 0.000 0.805 418 N CB 0.717 39.192 38.487 -0.019 0.000 1.873 418 N HN 0.366 nan 8.380 nan 0.000 0.615 419 K N -0.851 119.539 120.400 -0.018 0.000 2.031 419 K HA -0.016 4.305 4.320 0.002 0.000 0.205 419 K C 0.243 176.860 176.600 0.028 0.000 1.049 419 K CA 1.380 57.676 56.287 0.015 0.000 0.939 419 K CB -0.323 32.227 32.500 0.083 0.000 0.717 419 K HN 0.476 nan 8.250 nan 0.000 0.438 420 D N 0.909 121.328 120.400 0.032 0.000 2.265 420 D HA -0.157 4.484 4.640 0.002 0.000 0.208 420 D C 1.796 178.112 176.300 0.027 0.000 0.977 420 D CA 1.117 55.141 54.000 0.040 0.000 0.871 420 D CB 0.123 40.942 40.800 0.032 0.000 0.925 420 D HN 0.431 nan 8.370 nan 0.000 0.485 421 Q N 0.049 119.847 119.800 -0.002 0.000 2.212 421 Q HA -0.042 4.299 4.340 0.002 0.000 0.199 421 Q C 2.500 178.484 176.000 -0.028 0.000 0.950 421 Q CA 0.681 56.480 55.803 -0.006 0.000 0.863 421 Q CB 0.348 29.076 28.738 -0.017 0.000 0.944 421 Q HN 0.303 nan 8.270 nan 0.000 0.465 422 V N -1.676 118.175 119.914 -0.105 0.000 2.346 422 V HA -0.152 3.968 4.120 0.002 0.000 0.244 422 V C 2.259 178.357 176.094 0.006 0.000 1.037 422 V CA 1.673 63.855 62.300 -0.196 0.000 1.029 422 V CB -1.567 29.839 31.823 -0.695 0.000 0.663 422 V HN 0.239 nan 8.190 nan 0.000 0.454 423 T N 0.418 115.038 114.554 0.110 0.000 2.597 423 T HA -0.312 4.039 4.350 0.002 0.000 0.267 423 T C 1.932 176.740 174.700 0.180 0.000 1.053 423 T CA 2.242 64.484 62.100 0.237 0.000 1.165 423 T CB -0.894 68.099 68.868 0.208 0.000 0.863 423 T HN 0.468 nan 8.240 nan 0.000 0.427 424 N N 1.131 119.901 118.700 0.117 0.000 2.025 424 N HA -0.091 4.650 4.740 0.002 0.000 0.194 424 N C 2.254 177.828 175.510 0.107 0.000 1.044 424 N CA 1.610 54.721 53.050 0.101 0.000 0.851 424 N CB -0.746 37.782 38.487 0.068 0.000 1.036 424 N HN 0.413 nan 8.380 nan 0.000 0.422 425 S N 1.050 116.799 115.700 0.082 0.000 2.378 425 S HA -0.155 4.316 4.470 0.002 0.000 0.229 425 S C 2.132 176.798 174.600 0.109 0.000 1.052 425 S CA 1.270 59.512 58.200 0.069 0.000 1.084 425 S CB -0.414 62.800 63.200 0.023 0.000 0.950 425 S HN 0.341 nan 8.310 nan 0.000 0.440 426 I N 1.625 122.296 120.570 0.169 0.000 2.208 426 I HA -0.268 3.903 4.170 0.002 0.000 0.245 426 I C 2.718 178.994 176.117 0.265 0.000 1.097 426 I CA 1.096 62.536 61.300 0.234 0.000 1.363 426 I CB -0.703 37.493 38.000 0.327 0.000 1.051 426 I HN 0.289 nan 8.210 nan 0.000 0.413 427 A N 1.120 124.117 122.820 0.295 0.000 1.859 427 A HA -0.293 4.028 4.320 0.002 0.000 0.217 427 A C 2.609 180.273 177.584 0.132 0.000 1.198 427 A CA 2.513 54.717 52.037 0.277 0.000 0.629 427 A CB -1.206 17.914 19.000 0.199 0.000 0.830 427 A HN 0.449 nan 8.150 nan 0.000 0.446 428 A N -0.469 122.410 122.820 0.098 0.000 1.894 428 A HA -0.248 4.073 4.320 0.002 0.000 0.220 428 A C 2.172 179.801 177.584 0.074 0.000 1.237 428 A CA 2.369 54.443 52.037 0.062 0.000 0.660 428 A CB -1.076 17.949 19.000 0.041 0.000 0.835 428 A HN 1.028 nan 8.150 nan 0.000 0.461 429 L N -0.398 120.880 121.223 0.092 0.000 1.991 429 L HA -0.245 4.095 4.340 0.002 0.000 0.221 429 L C 2.766 179.710 176.870 0.125 0.000 1.079 429 L CA 2.852 57.749 54.840 0.095 0.000 0.778 429 L CB -1.160 40.966 42.059 0.112 0.000 0.893 429 L HN 0.475 nan 8.230 nan 0.000 0.437 430 A N -0.771 122.151 122.820 0.171 0.000 1.869 430 A HA -0.330 3.991 4.320 0.002 0.000 0.218 430 A C 2.304 179.991 177.584 0.171 0.000 1.203 430 A CA 2.551 54.707 52.037 0.198 0.000 0.638 430 A CB -0.735 18.407 19.000 0.236 0.000 0.831 430 A HN 0.581 nan 8.150 nan 0.000 0.450 431 K N -0.688 119.772 120.400 0.099 0.000 2.000 431 K HA -0.196 4.125 4.320 0.002 0.000 0.218 431 K C 2.526 179.222 176.600 0.161 0.000 1.053 431 K CA 1.763 58.118 56.287 0.113 0.000 0.946 431 K CB -0.465 32.068 32.500 0.054 0.000 0.723 431 K HN 0.474 nan 8.250 nan 0.000 0.446 432 S N 1.027 116.791 115.700 0.107 0.000 2.374 432 S HA -0.187 4.284 4.470 0.002 0.000 0.227 432 S C 1.968 176.627 174.600 0.098 0.000 1.037 432 S CA 1.354 59.606 58.200 0.086 0.000 1.024 432 S CB -0.286 62.944 63.200 0.050 0.000 0.861 432 S HN 0.279 nan 8.310 nan 0.000 0.456 433 L N 0.415 121.711 121.223 0.121 0.000 2.012 433 L HA -0.036 4.304 4.340 0.002 0.000 0.210 433 L C 2.107 179.056 176.870 0.133 0.000 1.073 433 L CA 2.196 57.102 54.840 0.111 0.000 0.748 433 L CB -1.076 41.069 42.059 0.143 0.000 0.891 433 L HN 0.503 nan 8.230 nan 0.000 0.431 434 Y N 0.076 120.442 120.300 0.111 0.000 2.207 434 Y HA -0.288 4.263 4.550 0.002 0.000 0.287 434 Y C 2.321 178.281 175.900 0.101 0.000 1.156 434 Y CA 2.103 60.286 58.100 0.139 0.000 1.182 434 Y CB -0.269 38.298 38.460 0.178 0.000 0.979 434 Y HN 0.456 nan 8.280 nan 0.000 0.521 435 D N -0.931 119.553 120.400 0.139 0.000 2.075 435 D HA -0.142 4.499 4.640 0.002 0.000 0.196 435 D C 2.201 178.518 176.300 0.029 0.000 0.985 435 D CA 1.609 55.648 54.000 0.065 0.000 0.834 435 D CB -0.062 40.787 40.800 0.080 0.000 0.987 435 D HN 0.201 nan 8.370 nan 0.000 0.452 436 R N -0.185 120.334 120.500 0.031 0.000 2.113 436 R HA -0.210 4.131 4.340 0.002 0.000 0.244 436 R C 2.559 178.871 176.300 0.020 0.000 1.142 436 R CA 1.553 57.669 56.100 0.028 0.000 0.953 436 R CB -0.516 29.789 30.300 0.008 0.000 0.860 436 R HN 0.345 nan 8.270 nan 0.000 0.438 437 M N -0.220 119.353 119.600 -0.046 0.000 2.110 437 M HA -0.250 4.231 4.480 0.002 0.000 0.257 437 M C 2.250 178.474 176.300 -0.127 0.000 1.071 437 M CA 1.956 57.196 55.300 -0.101 0.000 1.096 437 M CB -0.544 31.920 32.600 -0.225 0.000 1.300 437 M HN 0.115 nan 8.290 nan 0.000 0.411 438 F N 1.406 121.113 119.950 -0.404 0.000 2.095 438 F HA -0.298 4.229 4.527 0.002 0.000 0.298 438 F C 2.240 177.878 175.800 -0.271 0.000 1.104 438 F CA 1.679 59.413 58.000 -0.444 0.000 1.232 438 F CB -0.329 38.399 39.000 -0.452 0.000 0.987 438 F HN 0.207 nan 8.300 nan 0.000 0.475 439 N N -0.013 118.758 118.700 0.119 0.000 2.018 439 N HA -0.291 4.450 4.740 0.002 0.000 0.196 439 N C 1.609 177.083 175.510 -0.059 0.000 1.043 439 N CA 1.885 54.971 53.050 0.061 0.000 0.856 439 N CB -1.376 37.154 38.487 0.072 0.000 1.042 439 N HN 0.498 nan 8.380 nan 0.000 0.423 440 W N 2.245 123.440 121.300 -0.174 0.000 2.274 440 W HA -0.246 4.415 4.660 0.002 0.000 0.333 440 W C 2.395 178.747 176.519 -0.277 0.000 1.290 440 W CA 1.693 58.915 57.345 -0.205 0.000 1.208 440 W CB -1.073 28.270 29.460 -0.195 0.000 1.155 440 W HN 0.131 nan 8.180 nan 0.000 0.462 441 L N 0.556 121.559 121.223 -0.367 0.000 2.113 441 L HA -0.332 4.009 4.340 0.002 0.000 0.221 441 L C 2.159 178.637 176.870 -0.653 0.000 1.084 441 L CA 2.830 57.310 54.840 -0.601 0.000 0.787 441 L CB -1.528 40.133 42.059 -0.664 0.000 0.893 441 L HN 0.072 nan 8.230 nan 0.000 0.440 442 V N -0.606 118.956 119.914 -0.587 0.000 2.244 442 V HA -0.290 3.831 4.120 0.002 0.000 0.244 442 V C 2.643 178.501 176.094 -0.394 0.000 1.042 442 V CA 2.088 64.123 62.300 -0.442 0.000 1.006 442 V CB -0.683 30.947 31.823 -0.322 0.000 0.641 442 V HN 0.479 nan 8.190 nan 0.000 0.446 443 R N -0.431 119.828 120.500 -0.400 0.000 2.159 443 R HA -0.324 4.017 4.340 0.002 0.000 0.252 443 R C 2.509 178.540 176.300 -0.448 0.000 1.144 443 R CA 2.504 58.380 56.100 -0.373 0.000 0.961 443 R CB -0.353 29.720 30.300 -0.379 0.000 0.877 443 R HN 0.279 nan 8.270 nan 0.000 0.444 444 R N 0.232 120.298 120.500 -0.724 0.000 2.081 444 R HA -0.117 4.224 4.340 0.002 0.000 0.235 444 R C 2.183 178.266 176.300 -0.361 0.000 1.131 444 R CA 1.832 57.467 56.100 -0.775 0.000 0.960 444 R CB -0.585 28.952 30.300 -1.271 0.000 0.856 444 R HN 0.341 nan 8.270 nan 0.000 0.436 445 V N -0.953 118.801 119.914 -0.267 0.000 2.515 445 V HA -0.152 3.969 4.120 0.002 0.000 0.250 445 V C 1.761 177.811 176.094 -0.074 0.000 1.058 445 V CA 1.975 64.223 62.300 -0.087 0.000 1.064 445 V CB -0.655 31.093 31.823 -0.126 0.000 0.675 445 V HN 0.221 nan 8.190 nan 0.000 0.461 446 N N 0.740 119.363 118.700 -0.130 0.000 2.120 446 N HA -0.181 4.560 4.740 0.002 0.000 0.188 446 N C 2.038 177.509 175.510 -0.065 0.000 1.024 446 N CA 2.101 55.096 53.050 -0.092 0.000 0.852 446 N CB -0.326 38.094 38.487 -0.112 0.000 1.003 446 N HN 0.676 nan 8.380 nan 0.000 0.424 447 Q N -0.003 119.746 119.800 -0.085 0.000 2.096 447 Q HA -0.091 4.250 4.340 0.002 0.000 0.204 447 Q C 1.884 177.910 176.000 0.044 0.000 0.982 447 Q CA 1.515 57.297 55.803 -0.034 0.000 0.850 447 Q CB -0.229 28.470 28.738 -0.065 0.000 0.901 447 Q HN 0.325 nan 8.270 nan 0.000 0.422 448 T N 1.297 115.913 114.554 0.103 0.000 2.699 448 T HA -0.158 4.193 4.350 0.002 0.000 0.268 448 T C 1.763 176.475 174.700 0.019 0.000 1.036 448 T CA 1.109 63.265 62.100 0.093 0.000 1.147 448 T CB -0.156 68.763 68.868 0.085 0.000 0.862 448 T HN 0.198 nan 8.240 nan 0.000 0.446 449 L N 0.577 121.800 121.223 0.001 0.000 2.095 449 L HA 0.039 4.380 4.340 0.002 0.000 0.204 449 L C 2.104 178.966 176.870 -0.014 0.000 1.080 449 L CA 0.727 55.561 54.840 -0.011 0.000 0.759 449 L CB -0.489 41.561 42.059 -0.015 0.000 0.914 449 L HN 0.111 nan 8.230 nan 0.000 0.439 450 D N 1.102 121.490 120.400 -0.019 0.000 2.430 450 D HA -0.101 4.540 4.640 0.002 0.000 0.260 450 D C 0.157 176.441 176.300 -0.026 0.000 1.244 450 D CA 0.329 54.311 54.000 -0.029 0.000 0.986 450 D CB -0.154 40.623 40.800 -0.038 0.000 0.925 450 D HN 0.218 nan 8.370 nan 0.000 0.506 451 T N 0.272 114.813 114.554 -0.021 0.000 4.508 451 T HA 0.077 4.428 4.350 0.002 0.000 0.232 451 T C 0.648 175.331 174.700 -0.029 0.000 1.027 451 T CA -0.362 61.725 62.100 -0.022 0.000 0.999 451 T CB -0.076 68.780 68.868 -0.020 0.000 1.402 451 T HN 0.309 nan 8.240 nan 0.000 1.003 452 K N -0.336 120.042 120.400 -0.036 0.000 2.354 452 K HA 0.886 5.207 4.320 0.002 0.000 0.238 452 K C 0.371 176.945 176.600 -0.044 0.000 1.068 452 K CA -1.056 55.205 56.287 -0.045 0.000 0.925 452 K CB 1.342 33.804 32.500 -0.063 0.000 1.286 452 K HN 0.042 nan 8.250 nan 0.000 0.500 453 A N 0.274 123.064 122.820 -0.050 0.000 2.039 453 A HA 0.327 4.648 4.320 0.002 0.000 0.205 453 A C -0.529 177.021 177.584 -0.058 0.000 2.297 453 A CA 0.052 52.062 52.037 -0.045 0.000 1.472 453 A CB 0.203 19.182 19.000 -0.036 0.000 1.030 453 A HN 0.608 nan 8.150 nan 0.000 0.511 454 K N 0.644 121.006 120.400 -0.063 0.000 2.535 454 K HA 0.488 4.809 4.320 0.002 0.000 0.250 454 K C -1.456 175.086 176.600 -0.096 0.000 0.948 454 K CA -0.414 55.825 56.287 -0.079 0.000 0.796 454 K CB 1.486 33.947 32.500 -0.064 0.000 1.216 454 K HN 0.482 nan 8.250 nan 0.000 0.432 455 R N 2.804 123.220 120.500 -0.140 0.000 2.428 455 R HA 0.267 4.608 4.340 0.002 0.000 0.294 455 R C 0.353 176.565 176.300 -0.146 0.000 1.000 455 R CA -0.431 55.576 56.100 -0.156 0.000 0.960 455 R CB 1.621 31.698 30.300 -0.371 0.000 1.076 455 R HN 0.668 nan 8.270 nan 0.000 0.475 456 Q N 0.701 120.396 119.800 -0.174 0.000 2.534 456 Q HA 0.241 4.581 4.340 0.002 0.000 0.252 456 Q C -0.504 175.227 176.000 -0.448 0.000 0.850 456 Q CA 0.516 56.044 55.803 -0.458 0.000 0.974 456 Q CB 0.736 28.959 28.738 -0.858 0.000 1.205 456 Q HN 0.343 nan 8.270 nan 0.000 0.593 457 F N -0.626 119.470 119.950 0.243 0.000 2.706 457 F HA 0.588 5.116 4.527 0.002 0.000 0.328 457 F C -0.675 175.392 175.800 0.446 0.000 1.123 457 F CA -1.651 56.485 58.000 0.227 0.000 0.978 457 F CB 1.198 40.241 39.000 0.072 0.000 1.404 457 F HN -0.034 nan 8.300 nan 0.000 0.497 458 F N -1.061 119.127 119.950 0.397 0.000 2.713 458 F HA 0.813 5.341 4.527 0.002 0.000 0.311 458 F C -2.101 173.718 175.800 0.031 0.000 1.141 458 F CA -1.514 56.589 58.000 0.171 0.000 0.939 458 F CB 1.403 40.358 39.000 -0.075 0.000 1.325 458 F HN 0.286 nan 8.300 nan 0.000 0.453 459 I N 1.918 122.595 120.570 0.179 0.000 2.468 459 I HA 0.583 4.754 4.170 0.002 0.000 0.284 459 I C 0.088 176.233 176.117 0.047 0.000 1.038 459 I CA -0.720 60.565 61.300 -0.025 0.000 1.083 459 I CB 1.617 39.385 38.000 -0.388 0.000 1.223 459 I HN 1.006 nan 8.210 nan 0.000 0.443 460 G N 4.922 113.779 108.800 0.094 0.000 2.488 460 G HA2 0.690 4.651 3.960 0.002 0.000 0.318 460 G HA3 0.690 4.651 3.960 0.002 0.000 0.318 460 G C -0.998 173.918 174.900 0.028 0.000 1.188 460 G CA -0.426 44.495 45.100 -0.299 0.000 0.944 460 G HN 0.293 nan 8.290 nan 0.000 0.495 461 V N 1.008 120.969 119.914 0.078 0.000 2.482 461 V HA 0.307 4.428 4.120 0.002 0.000 0.295 461 V C -0.765 175.605 176.094 0.460 0.000 1.026 461 V CA -0.662 61.813 62.300 0.292 0.000 0.856 461 V CB 1.348 33.300 31.823 0.215 0.000 1.001 461 V HN 0.662 nan 8.190 nan 0.000 0.424 462 L N 4.469 125.971 121.223 0.465 0.000 2.276 462 L HA 0.636 4.977 4.340 0.002 0.000 0.286 462 L C -0.299 176.641 176.870 0.118 0.000 1.061 462 L CA 0.507 55.516 54.840 0.281 0.000 0.807 462 L CB 1.193 43.207 42.059 -0.074 0.000 1.177 462 L HN 0.699 nan 8.230 nan 0.000 0.429 463 D N 5.294 125.738 120.400 0.073 0.000 2.308 463 D HA 0.428 5.069 4.640 0.002 0.000 0.242 463 D C -1.363 174.892 176.300 -0.075 0.000 1.059 463 D CA -0.219 53.779 54.000 -0.004 0.000 0.830 463 D CB 1.560 42.339 40.800 -0.034 0.000 1.161 463 D HN 0.537 nan 8.370 nan 0.000 0.494 464 I N 2.125 122.660 120.570 -0.059 0.000 2.752 464 I HA 0.458 4.629 4.170 0.002 0.000 0.295 464 I C -0.835 175.263 176.117 -0.032 0.000 1.219 464 I CA -0.554 60.703 61.300 -0.072 0.000 1.030 464 I CB 1.983 39.938 38.000 -0.074 0.000 1.259 464 I HN 0.448 nan 8.210 nan 0.000 0.423 465 A N 4.819 127.623 122.820 -0.027 0.000 2.546 465 A HA 0.528 4.849 4.320 0.002 0.000 0.243 465 A C 0.620 178.221 177.584 0.027 0.000 1.063 465 A CA 0.599 52.642 52.037 0.010 0.000 0.757 465 A CB -0.658 18.353 19.000 0.018 0.000 0.991 465 A HN 0.988 nan 8.150 nan 0.000 0.503 466 G N 0.740 109.573 108.800 0.054 0.000 2.599 466 G HA2 0.418 4.379 3.960 0.002 0.000 0.264 466 G HA3 0.418 4.379 3.960 0.002 0.000 0.264 466 G C -0.063 174.902 174.900 0.108 0.000 1.200 466 G CA -0.669 44.487 45.100 0.092 0.000 0.896 466 G HN 0.731 nan 8.290 nan 0.000 0.536 467 F N 0.276 120.231 119.950 0.008 0.000 2.635 467 F HA 0.069 4.597 4.527 0.002 0.000 0.379 467 F C 0.939 176.693 175.800 -0.077 0.000 1.094 467 F CA 0.842 58.816 58.000 -0.043 0.000 1.300 467 F CB 0.512 39.467 39.000 -0.075 0.000 1.035 467 F HN 0.389 nan 8.300 nan 0.000 0.581 468 E N 6.069 125.943 120.200 -0.545 0.000 2.227 468 E HA 0.622 4.973 4.350 0.002 0.000 0.268 468 E C -1.009 175.304 176.600 -0.479 0.000 0.907 468 E CA -0.895 55.270 56.400 -0.391 0.000 0.786 468 E CB 2.587 31.942 29.700 -0.575 0.000 1.191 468 E HN 0.494 nan 8.360 nan 0.000 0.411 469 I N 3.126 123.548 120.570 -0.247 0.000 2.651 469 I HA 0.299 4.470 4.170 0.002 0.000 0.287 469 I C -0.983 175.216 176.117 0.137 0.000 1.244 469 I CA -0.268 60.962 61.300 -0.116 0.000 1.061 469 I CB 0.949 39.072 38.000 0.205 0.000 1.286 469 I HN 0.454 nan 8.210 nan 0.000 0.434 470 F N 2.898 122.824 119.950 -0.041 0.000 2.746 470 F HA 0.415 4.943 4.527 0.002 0.000 0.378 470 F C 1.104 176.892 175.800 -0.020 0.000 1.165 470 F CA -1.066 56.923 58.000 -0.018 0.000 1.089 470 F CB 1.077 40.082 39.000 0.009 0.000 1.439 470 F HN 0.357 nan 8.300 nan 0.000 0.516 471 D N 0.062 120.616 120.400 0.258 0.000 2.149 471 D HA -0.082 4.559 4.640 0.002 0.000 0.201 471 D C -0.240 176.188 176.300 0.214 0.000 0.972 471 D CA 1.602 55.699 54.000 0.161 0.000 0.835 471 D CB 0.215 41.091 40.800 0.127 0.000 0.966 471 D HN 0.075 nan 8.370 nan 0.000 0.476 472 F N 2.248 122.275 119.950 0.128 0.000 2.382 472 F HA 0.305 4.832 4.527 0.002 0.000 0.361 472 F C -0.777 175.110 175.800 0.145 0.000 1.109 472 F CA -1.112 56.957 58.000 0.115 0.000 1.031 472 F CB 0.542 39.618 39.000 0.128 0.000 1.234 472 F HN -0.351 nan 8.300 nan 0.000 0.445 473 N N 4.386 122.801 118.700 -0.475 0.000 2.419 473 N HA 0.307 5.048 4.740 0.002 0.000 0.277 473 N C -0.666 174.618 175.510 -0.377 0.000 1.006 473 N CA -0.228 52.574 53.050 -0.414 0.000 0.923 473 N CB 1.979 40.177 38.487 -0.482 0.000 1.140 473 N HN 0.573 nan 8.380 nan 0.000 0.488 474 S N 0.693 116.296 115.700 -0.162 0.000 2.823 474 S HA 0.368 4.839 4.470 0.002 0.000 0.316 474 S C 0.843 175.441 174.600 -0.003 0.000 1.116 474 S CA -0.633 57.636 58.200 0.114 0.000 0.911 474 S CB 0.362 63.628 63.200 0.110 0.000 1.276 474 S HN 0.427 nan 8.310 nan 0.000 0.565 475 F N 1.820 121.309 119.950 -0.768 0.000 2.271 475 F HA -0.125 4.403 4.527 0.002 0.000 0.302 475 F C 1.652 177.077 175.800 -0.625 0.000 1.063 475 F CA 2.297 59.389 58.000 -1.514 0.000 1.362 475 F CB -0.130 37.790 39.000 -1.800 0.000 1.060 475 F HN 0.645 nan 8.300 nan 0.000 0.521 476 E N -0.052 119.979 120.200 -0.282 0.000 2.028 476 E HA -0.190 4.161 4.350 0.002 0.000 0.190 476 E C 2.111 178.557 176.600 -0.257 0.000 0.984 476 E CA 1.334 57.615 56.400 -0.199 0.000 0.800 476 E CB -0.426 29.269 29.700 -0.008 0.000 0.758 476 E HN 0.342 nan 8.360 nan 0.000 0.448 477 Q N 0.406 120.082 119.800 -0.207 0.000 2.045 477 Q HA -0.170 4.171 4.340 0.002 0.000 0.206 477 Q C 2.183 178.082 176.000 -0.168 0.000 0.991 477 Q CA 1.161 56.819 55.803 -0.242 0.000 0.851 477 Q CB -0.607 27.974 28.738 -0.262 0.000 0.911 477 Q HN 0.217 nan 8.270 nan 0.000 0.418 478 L N -0.194 120.982 121.223 -0.079 0.000 2.013 478 L HA -0.255 4.086 4.340 0.002 0.000 0.212 478 L C 2.188 178.877 176.870 -0.301 0.000 1.073 478 L CA 1.825 56.506 54.840 -0.265 0.000 0.753 478 L CB -0.866 40.881 42.059 -0.520 0.000 0.890 478 L HN 0.375 nan 8.230 nan 0.000 0.432 479 C N -0.557 118.449 119.300 -0.489 0.000 2.401 479 C HA -0.219 4.242 4.460 0.002 0.000 0.276 479 C C 2.681 177.658 174.990 -0.022 0.000 1.233 479 C CA 1.323 60.123 59.018 -0.362 0.000 1.753 479 C CB -0.945 26.583 27.740 -0.354 0.000 2.029 479 C HN 0.604 nan 8.230 nan 0.000 0.478 480 I N 0.486 120.996 120.570 -0.101 0.000 2.235 480 I HA -0.124 4.047 4.170 0.002 0.000 0.241 480 I C 2.213 178.245 176.117 -0.141 0.000 1.085 480 I CA 1.144 62.395 61.300 -0.082 0.000 1.378 480 I CB -0.711 37.193 38.000 -0.160 0.000 1.076 480 I HN 0.355 nan 8.210 nan 0.000 0.415 481 N N 0.915 119.410 118.700 -0.342 0.000 2.037 481 N HA -0.298 4.443 4.740 0.002 0.000 0.196 481 N C 1.864 177.391 175.510 0.028 0.000 1.034 481 N CA 1.814 54.602 53.050 -0.437 0.000 0.861 481 N CB -0.929 37.065 38.487 -0.822 0.000 1.039 481 N HN 0.328 nan 8.380 nan 0.000 0.427 482 Y N 2.252 122.509 120.300 -0.071 0.000 2.029 482 Y HA -0.308 4.243 4.550 0.002 0.000 0.269 482 Y C 2.390 178.324 175.900 0.057 0.000 1.201 482 Y CA 1.925 60.029 58.100 0.007 0.000 1.115 482 Y CB -1.148 37.215 38.460 -0.161 0.000 0.945 482 Y HN 0.044 nan 8.280 nan 0.000 0.497 483 T N 1.482 115.992 114.554 -0.072 0.000 2.569 483 T HA -0.237 4.114 4.350 0.002 0.000 0.263 483 T C 1.795 176.491 174.700 -0.006 0.000 1.074 483 T CA 1.649 63.673 62.100 -0.127 0.000 1.176 483 T CB -0.595 68.256 68.868 -0.029 0.000 0.863 483 T HN 0.422 nan 8.240 nan 0.000 0.410 484 N N 0.644 119.389 118.700 0.074 0.000 2.096 484 N HA -0.192 4.549 4.740 0.002 0.000 0.195 484 N C 1.956 177.586 175.510 0.199 0.000 1.017 484 N CA 1.633 54.790 53.050 0.178 0.000 0.870 484 N CB -0.385 38.312 38.487 0.350 0.000 1.024 484 N HN 0.446 nan 8.380 nan 0.000 0.434 485 E N 0.915 121.301 120.200 0.310 0.000 2.153 485 E HA -0.067 4.284 4.350 0.002 0.000 0.194 485 E C 1.719 178.422 176.600 0.172 0.000 0.988 485 E CA 0.984 57.574 56.400 0.318 0.000 0.811 485 E CB 0.077 30.072 29.700 0.492 0.000 0.746 485 E HN 0.256 nan 8.360 nan 0.000 0.466 486 R N -0.580 119.994 120.500 0.124 0.000 2.275 486 R HA 0.078 4.419 4.340 0.002 0.000 0.199 486 R C 1.938 178.317 176.300 0.132 0.000 0.989 486 R CA 0.380 56.541 56.100 0.102 0.000 1.016 486 R CB 0.094 30.382 30.300 -0.020 0.000 0.918 486 R HN 0.283 nan 8.270 nan 0.000 0.473 487 L N -0.312 120.970 121.223 0.098 0.000 2.168 487 L HA -0.053 4.288 4.340 0.002 0.000 0.203 487 L C 2.401 179.402 176.870 0.218 0.000 1.078 487 L CA 0.605 55.539 54.840 0.156 0.000 0.780 487 L CB -0.169 41.944 42.059 0.091 0.000 0.939 487 L HN 0.013 nan 8.230 nan 0.000 0.451 488 Q N 0.496 120.294 119.800 -0.003 0.000 2.124 488 Q HA -0.269 4.072 4.340 0.002 0.000 0.202 488 Q C 2.066 178.144 176.000 0.130 0.000 0.977 488 Q CA 1.733 57.468 55.803 -0.114 0.000 0.850 488 Q CB -0.179 28.108 28.738 -0.751 0.000 0.901 488 Q HN 0.419 nan 8.270 nan 0.000 0.429 489 Q N -1.330 118.568 119.800 0.163 0.000 2.084 489 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 489 Q C 1.772 177.985 176.000 0.355 0.000 0.978 489 Q CA 1.454 57.404 55.803 0.244 0.000 0.844 489 Q CB -0.339 28.544 28.738 0.241 0.000 0.898 489 Q HN 0.454 nan 8.270 nan 0.000 0.426 490 F N 0.542 120.614 119.950 0.203 0.000 2.091 490 F HA -0.253 4.275 4.527 0.002 0.000 0.299 490 F C 1.695 177.587 175.800 0.153 0.000 1.103 490 F CA 1.515 59.562 58.000 0.077 0.000 1.228 490 F CB -0.804 38.177 39.000 -0.032 0.000 0.984 490 F HN 0.212 nan 8.300 nan 0.000 0.477 491 F N 1.596 121.572 119.950 0.044 0.000 1.997 491 F HA -0.258 4.270 4.527 0.002 0.000 0.296 491 F C 2.321 178.056 175.800 -0.108 0.000 1.160 491 F CA 2.350 60.234 58.000 -0.192 0.000 1.176 491 F CB -1.229 37.629 39.000 -0.236 0.000 0.964 491 F HN -0.044 nan 8.300 nan 0.000 0.484 492 N N -0.374 118.379 118.700 0.088 0.000 2.144 492 N HA -0.325 4.416 4.740 0.002 0.000 0.195 492 N C 1.765 177.372 175.510 0.163 0.000 1.006 492 N CA 1.881 54.987 53.050 0.094 0.000 0.880 492 N CB -0.908 37.721 38.487 0.237 0.000 1.018 492 N HN 0.546 nan 8.380 nan 0.000 0.443 493 H N -0.425 118.685 119.070 0.067 0.000 2.321 493 H HA -0.100 4.457 4.556 0.002 0.000 0.300 493 H C 2.089 177.456 175.328 0.065 0.000 1.087 493 H CA 2.168 58.277 56.048 0.102 0.000 1.319 493 H CB -0.506 29.340 29.762 0.140 0.000 1.379 493 H HN 0.360 nan 8.280 nan 0.000 0.501 494 H N -0.095 118.789 119.070 -0.311 0.000 2.251 494 H HA -0.193 4.364 4.556 0.002 0.000 0.294 494 H C 2.631 177.718 175.328 -0.402 0.000 1.078 494 H CA 2.291 58.062 56.048 -0.462 0.000 1.246 494 H CB -0.671 28.751 29.762 -0.567 0.000 1.358 494 H HN 0.410 nan 8.280 nan 0.000 0.488 495 M N -1.107 118.194 119.600 -0.498 0.000 2.113 495 M HA -0.280 4.201 4.480 0.002 0.000 0.255 495 M C 2.111 178.356 176.300 -0.092 0.000 1.073 495 M CA 2.276 57.334 55.300 -0.405 0.000 1.091 495 M CB -0.456 31.889 32.600 -0.425 0.000 1.309 495 M HN 0.374 nan 8.290 nan 0.000 0.407 496 F N 0.210 120.226 119.950 0.111 0.000 2.027 496 F HA -0.318 4.210 4.527 0.002 0.000 0.297 496 F C 1.945 177.590 175.800 -0.259 0.000 1.129 496 F CA 2.389 60.406 58.000 0.028 0.000 1.195 496 F CB -0.857 38.018 39.000 -0.209 0.000 0.960 496 F HN -0.033 nan 8.300 nan 0.000 0.485 497 V N 1.101 120.862 119.914 -0.254 0.000 2.219 497 V HA -0.371 3.750 4.120 0.002 0.000 0.248 497 V C 2.529 178.339 176.094 -0.472 0.000 1.053 497 V CA 2.248 64.326 62.300 -0.369 0.000 1.009 497 V CB -1.084 30.532 31.823 -0.345 0.000 0.636 497 V HN 0.438 nan 8.190 nan 0.000 0.445 498 L N -0.343 120.592 121.223 -0.480 0.000 1.951 498 L HA -0.249 4.092 4.340 0.002 0.000 0.222 498 L C 2.827 179.474 176.870 -0.371 0.000 1.078 498 L CA 2.028 56.615 54.840 -0.423 0.000 0.778 498 L CB -1.067 40.707 42.059 -0.474 0.000 0.893 498 L HN 0.367 nan 8.230 nan 0.000 0.436 499 E N 0.019 120.017 120.200 -0.337 0.000 2.108 499 E HA -0.355 3.996 4.350 0.002 0.000 0.203 499 E C 2.007 178.266 176.600 -0.569 0.000 1.022 499 E CA 1.773 58.016 56.400 -0.262 0.000 0.823 499 E CB -0.502 29.126 29.700 -0.120 0.000 0.744 499 E HN 0.525 nan 8.360 nan 0.000 0.456 500 Q N 0.355 119.516 119.800 -1.065 0.000 2.173 500 Q HA -0.253 4.088 4.340 0.002 0.000 0.208 500 Q C 2.067 177.654 176.000 -0.689 0.000 0.989 500 Q CA 2.001 56.965 55.803 -1.398 0.000 0.872 500 Q CB -0.020 27.929 28.738 -1.315 0.000 0.909 500 Q HN 0.291 nan 8.270 nan 0.000 0.420 501 E N -0.113 119.823 120.200 -0.440 0.000 2.028 501 E HA -0.204 4.147 4.350 0.002 0.000 0.190 501 E C 1.732 178.237 176.600 -0.159 0.000 0.984 501 E CA 1.104 57.352 56.400 -0.254 0.000 0.800 501 E CB -0.003 29.570 29.700 -0.213 0.000 0.758 501 E HN 0.227 nan 8.360 nan 0.000 0.448 502 E N -0.655 119.472 120.200 -0.122 0.000 2.233 502 E HA -0.227 4.124 4.350 0.002 0.000 0.199 502 E C 1.297 177.900 176.600 0.006 0.000 1.004 502 E CA 1.418 57.804 56.400 -0.023 0.000 0.819 502 E CB -0.147 29.569 29.700 0.026 0.000 0.738 502 E HN 0.409 nan 8.360 nan 0.000 0.478 503 Y N -0.066 120.077 120.300 -0.260 0.000 2.230 503 Y HA 0.107 4.658 4.550 0.002 0.000 0.294 503 Y C 2.257 178.016 175.900 -0.234 0.000 1.120 503 Y CA 1.236 59.155 58.100 -0.302 0.000 1.129 503 Y CB -0.462 37.795 38.460 -0.338 0.000 1.040 503 Y HN -0.057 nan 8.280 nan 0.000 0.519 504 K N 1.093 121.465 120.400 -0.046 0.000 2.074 504 K HA -0.290 4.031 4.320 0.002 0.000 0.209 504 K C 2.218 178.783 176.600 -0.058 0.000 1.048 504 K CA 1.945 58.194 56.287 -0.063 0.000 0.926 504 K CB -0.175 32.268 32.500 -0.095 0.000 0.713 504 K HN 0.162 nan 8.250 nan 0.000 0.444 505 K N 0.361 120.724 120.400 -0.061 0.000 2.152 505 K HA -0.142 4.179 4.320 0.002 0.000 0.206 505 K C 0.542 177.116 176.600 -0.043 0.000 1.048 505 K CA 1.424 57.682 56.287 -0.049 0.000 0.933 505 K CB 0.178 32.652 32.500 -0.044 0.000 0.721 505 K HN 0.175 nan 8.250 nan 0.000 0.447 506 E N -0.391 119.771 120.200 -0.063 0.000 2.496 506 E HA 0.076 4.427 4.350 0.002 0.000 0.200 506 E C 0.297 176.833 176.600 -0.106 0.000 1.016 506 E CA 0.301 56.659 56.400 -0.070 0.000 0.962 506 E CB 0.772 30.441 29.700 -0.053 0.000 1.071 506 E HN 0.520 nan 8.360 nan 0.000 0.457 507 G N 2.073 110.828 108.800 -0.075 0.000 2.361 507 G HA2 -0.301 3.660 3.960 0.002 0.000 0.294 507 G HA3 -0.301 3.660 3.960 0.002 0.000 0.294 507 G C 0.419 175.271 174.900 -0.080 0.000 1.004 507 G CA 0.431 45.495 45.100 -0.060 0.000 0.870 507 G HN 0.325 nan 8.290 nan 0.000 0.510 508 I N -0.266 120.235 120.570 -0.116 0.000 2.499 508 I HA 0.247 4.418 4.170 0.002 0.000 0.296 508 I C 1.056 177.216 176.117 0.071 0.000 0.992 508 I CA -0.928 60.309 61.300 -0.106 0.000 1.297 508 I CB 1.596 39.393 38.000 -0.338 0.000 1.410 508 I HN -0.160 nan 8.210 nan 0.000 0.507 509 V N 5.813 125.764 119.914 0.061 0.000 2.521 509 V HA -0.056 4.065 4.120 0.002 0.000 0.286 509 V C -0.237 175.977 176.094 0.201 0.000 1.034 509 V CA 0.068 62.426 62.300 0.096 0.000 1.045 509 V CB 0.674 32.514 31.823 0.027 0.000 0.974 509 V HN 0.629 nan 8.190 nan 0.000 0.480 510 W N 6.759 127.999 121.300 -0.099 0.000 2.308 510 W HA 0.389 5.050 4.660 0.002 0.000 0.311 510 W C 0.101 176.536 176.519 -0.140 0.000 1.088 510 W CA -0.808 56.429 57.345 -0.179 0.000 1.309 510 W CB 1.043 30.369 29.460 -0.224 0.000 1.229 510 W HN 0.733 nan 8.180 nan 0.000 0.427 511 E N 6.332 126.073 120.200 -0.764 0.000 3.588 511 E HA 0.274 4.625 4.350 0.002 0.000 0.213 511 E C -1.348 174.535 176.600 -1.195 0.000 1.168 511 E CA -0.447 55.485 56.400 -0.781 0.000 1.254 511 E CB 0.126 29.474 29.700 -0.587 0.000 1.302 511 E HN 0.279 nan 8.360 nan 0.000 0.429 512 F N 1.151 120.425 119.950 -1.127 0.000 2.604 512 F HA 0.365 4.893 4.527 0.002 0.000 0.316 512 F C -0.387 175.262 175.800 -0.250 0.000 1.136 512 F CA -1.277 56.263 58.000 -0.767 0.000 0.989 512 F CB 2.046 40.344 39.000 -1.170 0.000 1.258 512 F HN 0.220 nan 8.300 nan 0.000 0.451 513 I N 3.859 124.506 120.570 0.127 0.000 2.474 513 I HA 0.104 4.275 4.170 0.002 0.000 0.287 513 I C 0.305 176.238 176.117 -0.306 0.000 1.048 513 I CA -0.210 61.078 61.300 -0.020 0.000 1.383 513 I CB 0.533 38.521 38.000 -0.020 0.000 1.412 513 I HN 0.561 nan 8.210 nan 0.000 0.531 514 D N 5.926 125.787 120.400 -0.899 0.000 2.973 514 D HA -0.234 4.407 4.640 0.002 0.000 0.214 514 D C 0.724 176.585 176.300 -0.732 0.000 1.079 514 D CA 0.751 53.690 54.000 -1.769 0.000 0.797 514 D CB 0.436 40.656 40.800 -0.966 0.000 1.168 514 D HN 0.392 nan 8.370 nan 0.000 0.515 515 F N 2.723 122.546 119.950 -0.212 0.000 2.171 515 F HA 0.016 4.544 4.527 0.002 0.000 0.300 515 F C 2.623 178.438 175.800 0.026 0.000 1.090 515 F CA 1.004 59.017 58.000 0.021 0.000 1.293 515 F CB -0.997 38.071 39.000 0.112 0.000 1.013 515 F HN 0.557 nan 8.300 nan 0.000 0.486 516 G N 0.514 109.430 108.800 0.193 0.000 2.475 516 G HA2 -0.239 3.721 3.960 0.002 0.000 0.220 516 G HA3 -0.239 3.721 3.960 0.002 0.000 0.220 516 G C 1.802 176.774 174.900 0.120 0.000 1.125 516 G CA 0.802 46.009 45.100 0.179 0.000 0.755 516 G HN 0.361 nan 8.290 nan 0.000 0.565 517 L N 0.468 121.721 121.223 0.050 0.000 2.189 517 L HA -0.149 4.192 4.340 0.002 0.000 0.214 517 L C 2.328 179.252 176.870 0.091 0.000 1.097 517 L CA 1.282 56.147 54.840 0.041 0.000 0.764 517 L CB -0.459 41.590 42.059 -0.016 0.000 0.900 517 L HN 0.143 nan 8.230 nan 0.000 0.436 518 D N 0.021 120.499 120.400 0.130 0.000 2.218 518 D HA -0.139 4.502 4.640 0.002 0.000 0.204 518 D C 2.040 178.443 176.300 0.172 0.000 0.976 518 D CA 1.074 55.168 54.000 0.156 0.000 0.853 518 D CB -0.007 40.902 40.800 0.182 0.000 0.939 518 D HN 0.342 nan 8.370 nan 0.000 0.481 519 L N -0.213 121.111 121.223 0.168 0.000 2.616 519 L HA 0.156 4.496 4.340 0.002 0.000 0.229 519 L C 1.970 178.940 176.870 0.167 0.000 1.110 519 L CA -0.012 54.940 54.840 0.186 0.000 0.884 519 L CB -0.087 42.086 42.059 0.190 0.000 1.115 519 L HN -0.075 nan 8.230 nan 0.000 0.481 520 Q N 1.710 121.589 119.800 0.132 0.000 2.152 520 Q HA -0.214 4.127 4.340 0.002 0.000 0.206 520 Q C 2.217 178.282 176.000 0.109 0.000 0.985 520 Q CA 2.262 58.130 55.803 0.108 0.000 0.863 520 Q CB -0.100 28.682 28.738 0.073 0.000 0.904 520 Q HN 0.453 nan 8.270 nan 0.000 0.422 521 A N 0.283 123.171 122.820 0.113 0.000 1.862 521 A HA -0.341 3.980 4.320 0.002 0.000 0.217 521 A C 2.526 180.175 177.584 0.108 0.000 1.251 521 A CA 1.928 54.028 52.037 0.105 0.000 0.673 521 A CB -1.836 17.236 19.000 0.120 0.000 0.843 521 A HN 0.733 nan 8.150 nan 0.000 0.458 522 C N -0.425 118.958 119.300 0.138 0.000 2.336 522 C HA -0.214 4.247 4.460 0.002 0.000 0.275 522 C C 2.556 177.621 174.990 0.125 0.000 1.175 522 C CA 1.550 60.643 59.018 0.125 0.000 1.771 522 C CB -1.688 26.136 27.740 0.141 0.000 2.030 522 C HN 0.593 nan 8.230 nan 0.000 0.442 523 I N 0.443 121.118 120.570 0.176 0.000 2.113 523 I HA -0.319 3.852 4.170 0.002 0.000 0.242 523 I C 2.689 178.871 176.117 0.108 0.000 1.057 523 I CA 2.546 63.965 61.300 0.198 0.000 1.314 523 I CB -0.698 37.433 38.000 0.217 0.000 1.022 523 I HN 0.556 nan 8.210 nan 0.000 0.408 524 E N 0.140 120.389 120.200 0.082 0.000 2.085 524 E HA -0.265 4.086 4.350 0.002 0.000 0.194 524 E C 1.973 178.568 176.600 -0.007 0.000 0.994 524 E CA 1.066 57.491 56.400 0.042 0.000 0.801 524 E CB -0.150 29.577 29.700 0.045 0.000 0.743 524 E HN 0.262 nan 8.360 nan 0.000 0.453 525 L N 0.774 121.988 121.223 -0.016 0.000 2.642 525 L HA -0.108 4.233 4.340 0.002 0.000 0.236 525 L C 1.352 178.141 176.870 -0.135 0.000 1.169 525 L CA 1.140 55.919 54.840 -0.103 0.000 0.851 525 L CB -0.004 42.022 42.059 -0.056 0.000 0.968 525 L HN 0.162 nan 8.230 nan 0.000 0.453 526 I N -2.124 118.375 120.570 -0.119 0.000 3.196 526 I HA -0.046 4.125 4.170 0.002 0.000 0.248 526 I C 1.967 177.932 176.117 -0.253 0.000 1.105 526 I CA 0.250 61.405 61.300 -0.241 0.000 1.482 526 I CB 0.012 37.754 38.000 -0.430 0.000 1.400 526 I HN 0.116 nan 8.210 nan 0.000 0.464 527 E N 2.061 122.142 120.200 -0.199 0.000 2.001 527 E HA -0.169 4.182 4.350 0.002 0.000 0.193 527 E C 0.662 177.250 176.600 -0.020 0.000 0.994 527 E CA 0.572 56.922 56.400 -0.082 0.000 0.815 527 E CB -0.420 29.309 29.700 0.049 0.000 0.770 527 E HN 0.385 nan 8.360 nan 0.000 0.453 528 K N 2.228 122.629 120.400 0.002 0.000 2.611 528 K HA -0.047 4.274 4.320 0.002 0.000 0.280 528 K C -2.531 174.080 176.600 0.018 0.000 0.964 528 K CA -0.672 55.625 56.287 0.016 0.000 1.029 528 K CB -0.359 32.153 32.500 0.021 0.000 0.862 528 K HN -0.230 nan 8.250 nan 0.000 0.501 529 P HA -0.117 nan 4.420 nan 0.000 0.264 529 P C -0.335 176.983 177.300 0.031 0.000 1.183 529 P CA 0.407 63.524 63.100 0.028 0.000 0.763 529 P CB 0.325 32.039 31.700 0.024 0.000 0.807 530 M N -0.945 118.676 119.600 0.034 0.000 2.976 530 M HA -0.124 4.357 4.480 0.002 0.000 0.209 530 M C 0.621 176.990 176.300 0.115 0.000 0.579 530 M CA 1.062 56.388 55.300 0.043 0.000 0.783 530 M CB -2.828 29.778 32.600 0.009 0.000 2.807 530 M HN 0.529 nan 8.290 nan 0.000 0.362 531 G N 0.164 108.991 108.800 0.044 0.000 2.543 531 G HA2 0.604 4.565 3.960 0.002 0.000 0.290 531 G HA3 0.604 4.565 3.960 0.002 0.000 0.290 531 G C 1.156 176.012 174.900 -0.073 0.000 1.310 531 G CA -0.259 44.819 45.100 -0.037 0.000 1.025 531 G HN 0.262 nan 8.290 nan 0.000 0.502 532 I N -0.413 120.064 120.570 -0.155 0.000 2.076 532 I HA -0.203 3.968 4.170 0.002 0.000 0.237 532 I C 2.781 178.950 176.117 0.087 0.000 1.059 532 I CA 1.196 62.437 61.300 -0.098 0.000 1.317 532 I CB -0.452 37.516 38.000 -0.054 0.000 1.037 532 I HN 0.353 nan 8.210 nan 0.000 0.398 533 L N 0.418 121.683 121.223 0.070 0.000 1.970 533 L HA -0.283 4.058 4.340 0.002 0.000 0.212 533 L C 2.895 179.851 176.870 0.142 0.000 1.071 533 L CA 1.964 56.892 54.840 0.146 0.000 0.751 533 L CB -0.884 41.193 42.059 0.029 0.000 0.889 533 L HN 0.381 nan 8.230 nan 0.000 0.432 534 S N 0.554 116.301 115.700 0.079 0.000 2.378 534 S HA -0.292 4.179 4.470 0.002 0.000 0.229 534 S C 1.996 176.664 174.600 0.113 0.000 1.052 534 S CA 2.027 60.276 58.200 0.082 0.000 1.084 534 S CB -0.630 62.602 63.200 0.054 0.000 0.950 534 S HN 0.325 nan 8.310 nan 0.000 0.440 535 I N 0.948 121.588 120.570 0.117 0.000 2.113 535 I HA -0.213 3.958 4.170 0.002 0.000 0.242 535 I C 2.573 178.861 176.117 0.286 0.000 1.064 535 I CA 1.664 63.050 61.300 0.144 0.000 1.320 535 I CB -0.538 37.501 38.000 0.064 0.000 1.028 535 I HN 0.367 nan 8.210 nan 0.000 0.406 536 L N 0.980 122.461 121.223 0.431 0.000 2.013 536 L HA -0.271 4.070 4.340 0.002 0.000 0.212 536 L C 2.435 179.358 176.870 0.088 0.000 1.073 536 L CA 1.945 56.964 54.840 0.298 0.000 0.753 536 L CB -0.606 41.589 42.059 0.227 0.000 0.890 536 L HN 0.259 nan 8.230 nan 0.000 0.432 537 E N -0.597 119.672 120.200 0.116 0.000 2.012 537 E HA -0.290 4.061 4.350 0.002 0.000 0.197 537 E C 2.106 178.767 176.600 0.103 0.000 1.007 537 E CA 1.696 58.146 56.400 0.083 0.000 0.816 537 E CB -0.394 29.360 29.700 0.090 0.000 0.762 537 E HN 0.605 nan 8.360 nan 0.000 0.451 538 E N 0.548 120.828 120.200 0.133 0.000 2.070 538 E HA -0.250 4.101 4.350 0.002 0.000 0.197 538 E C 1.962 178.727 176.600 0.274 0.000 1.004 538 E CA 1.206 57.718 56.400 0.188 0.000 0.805 538 E CB -0.029 29.773 29.700 0.169 0.000 0.744 538 E HN 0.070 nan 8.360 nan 0.000 0.451 539 E N -0.407 119.913 120.200 0.200 0.000 2.510 539 E HA -0.118 4.233 4.350 0.002 0.000 0.202 539 E C 1.166 177.859 176.600 0.155 0.000 1.072 539 E CA 0.475 56.983 56.400 0.181 0.000 0.883 539 E CB -0.133 29.692 29.700 0.209 0.000 0.818 539 E HN 0.226 nan 8.360 nan 0.000 0.548 540 C N -0.599 118.770 119.300 0.115 0.000 2.551 540 C HA 0.186 4.647 4.460 0.002 0.000 0.277 540 C C 1.833 176.860 174.990 0.061 0.000 1.349 540 C CA -0.018 59.026 59.018 0.044 0.000 1.750 540 C CB -0.488 27.247 27.740 -0.008 0.000 2.058 540 C HN 0.461 nan 8.230 nan 0.000 0.518 541 M N -0.404 119.242 119.600 0.078 0.000 2.633 541 M HA 0.152 4.633 4.480 0.002 0.000 0.226 541 M C -0.705 175.444 176.300 -0.251 0.000 1.137 541 M CA 0.810 56.055 55.300 -0.091 0.000 1.020 541 M CB -0.274 32.224 32.600 -0.170 0.000 1.675 541 M HN 0.178 nan 8.290 nan 0.000 0.500 542 F N -0.003 119.934 119.950 -0.022 0.000 2.366 542 F HA 0.336 4.864 4.527 0.002 0.000 0.366 542 F C -1.666 174.121 175.800 -0.020 0.000 1.096 542 F CA -2.283 55.705 58.000 -0.020 0.000 1.060 542 F CB 0.651 39.644 39.000 -0.013 0.000 1.282 542 F HN -0.115 nan 8.300 nan 0.000 0.450 543 P HA -0.306 nan 4.420 nan 0.000 0.218 543 P C 1.081 178.421 177.300 0.066 0.000 1.132 543 P CA 1.853 64.981 63.100 0.046 0.000 0.968 543 P CB 0.228 31.941 31.700 0.022 0.000 0.783 544 K N -0.856 119.595 120.400 0.084 0.000 2.546 544 K HA 0.236 4.557 4.320 0.002 0.000 0.198 544 K C 0.500 177.135 176.600 0.058 0.000 1.028 544 K CA 0.017 56.340 56.287 0.060 0.000 1.150 544 K CB -0.575 31.955 32.500 0.050 0.000 0.876 544 K HN 0.146 nan 8.250 nan 0.000 0.508 545 A N 1.319 124.190 122.820 0.085 0.000 2.488 545 A HA 0.171 4.492 4.320 0.002 0.000 0.249 545 A C 0.368 177.968 177.584 0.026 0.000 1.083 545 A CA 0.138 52.208 52.037 0.056 0.000 0.768 545 A CB 0.324 19.380 19.000 0.094 0.000 1.017 545 A HN 0.164 nan 8.150 nan 0.000 0.496 546 S N 0.526 116.232 115.700 0.010 0.000 2.638 546 S HA 0.411 4.882 4.470 0.002 0.000 0.302 546 S C 0.564 175.167 174.600 0.006 0.000 1.096 546 S CA -0.622 57.580 58.200 0.004 0.000 0.953 546 S CB 0.998 64.197 63.200 -0.001 0.000 1.107 546 S HN 0.666 nan 8.310 nan 0.000 0.503 547 D N 1.629 122.030 120.400 0.001 0.000 2.149 547 D HA -0.110 4.531 4.640 0.002 0.000 0.194 547 D C 1.710 177.986 176.300 -0.040 0.000 1.001 547 D CA 1.949 55.949 54.000 0.000 0.000 0.849 547 D CB -0.691 40.107 40.800 -0.003 0.000 0.939 547 D HN 0.628 nan 8.370 nan 0.000 0.449 548 T N 0.367 114.878 114.554 -0.072 0.000 2.777 548 T HA -0.133 4.218 4.350 0.002 0.000 0.266 548 T C 2.119 176.746 174.700 -0.122 0.000 1.040 548 T CA 1.710 63.734 62.100 -0.128 0.000 1.141 548 T CB -0.363 68.446 68.868 -0.098 0.000 0.868 548 T HN 0.265 nan 8.240 nan 0.000 0.444 549 S N 1.142 116.803 115.700 -0.065 0.000 2.465 549 S HA -0.099 4.372 4.470 0.002 0.000 0.241 549 S C 1.720 176.295 174.600 -0.042 0.000 1.000 549 S CA 0.607 58.766 58.200 -0.068 0.000 0.964 549 S CB -0.720 62.449 63.200 -0.051 0.000 0.763 549 S HN 0.456 nan 8.310 nan 0.000 0.512 550 F N 2.495 122.334 119.950 -0.185 0.000 2.220 550 F HA 0.280 4.808 4.527 0.002 0.000 0.290 550 F C 2.223 177.868 175.800 -0.259 0.000 1.080 550 F CA 0.930 58.814 58.000 -0.192 0.000 1.318 550 F CB -0.557 38.344 39.000 -0.166 0.000 1.063 550 F HN 0.141 nan 8.300 nan 0.000 0.498 551 K N 0.622 120.772 120.400 -0.416 0.000 2.001 551 K HA -0.256 4.065 4.320 0.002 0.000 0.214 551 K C 1.885 178.062 176.600 -0.706 0.000 1.050 551 K CA 2.083 57.960 56.287 -0.684 0.000 0.934 551 K CB -0.471 31.613 32.500 -0.693 0.000 0.718 551 K HN 0.245 nan 8.250 nan 0.000 0.443 552 N N 1.289 119.684 118.700 -0.509 0.000 2.036 552 N HA -0.252 4.489 4.740 0.002 0.000 0.199 552 N C 1.761 177.123 175.510 -0.247 0.000 1.036 552 N CA 1.648 54.499 53.050 -0.331 0.000 0.870 552 N CB -0.452 37.910 38.487 -0.208 0.000 1.055 552 N HN 0.319 nan 8.380 nan 0.000 0.436 553 K N 0.900 121.141 120.400 -0.266 0.000 2.113 553 K HA -0.089 4.232 4.320 0.002 0.000 0.208 553 K C 2.181 178.610 176.600 -0.284 0.000 1.047 553 K CA 0.853 56.996 56.287 -0.240 0.000 0.928 553 K CB -0.104 32.271 32.500 -0.207 0.000 0.716 553 K HN 0.123 nan 8.250 nan 0.000 0.446 554 L N -0.494 120.479 121.223 -0.417 0.000 2.005 554 L HA -0.197 4.144 4.340 0.002 0.000 0.207 554 L C 2.329 179.090 176.870 -0.182 0.000 1.072 554 L CA 1.472 56.061 54.840 -0.419 0.000 0.744 554 L CB -0.686 41.003 42.059 -0.617 0.000 0.895 554 L HN 0.282 nan 8.230 nan 0.000 0.433 555 Y N 0.321 120.484 120.300 -0.229 0.000 2.097 555 Y HA -0.345 4.206 4.550 0.002 0.000 0.282 555 Y C 2.564 178.390 175.900 -0.123 0.000 1.152 555 Y CA 0.698 58.764 58.100 -0.056 0.000 1.136 555 Y CB -0.292 38.167 38.460 -0.001 0.000 0.975 555 Y HN 0.270 nan 8.280 nan 0.000 0.498 556 D N 0.179 120.590 120.400 0.019 0.000 2.137 556 D HA -0.229 4.412 4.640 0.002 0.000 0.189 556 D C 1.635 177.836 176.300 -0.164 0.000 0.998 556 D CA 1.414 55.371 54.000 -0.071 0.000 0.839 556 D CB -0.683 40.051 40.800 -0.110 0.000 0.962 556 D HN 0.239 nan 8.370 nan 0.000 0.446 557 N N -0.509 118.020 118.700 -0.283 0.000 2.443 557 N HA -0.112 4.629 4.740 0.002 0.000 0.184 557 N C 0.869 175.834 175.510 -0.908 0.000 1.037 557 N CA 0.866 53.583 53.050 -0.556 0.000 0.896 557 N CB 0.207 38.326 38.487 -0.613 0.000 0.959 557 N HN 0.460 nan 8.380 nan 0.000 0.442 558 H N -1.977 116.911 119.070 -0.303 0.000 3.838 558 H HA 0.065 4.622 4.556 0.002 0.000 0.255 558 H C 1.659 176.954 175.328 -0.055 0.000 1.074 558 H CA -0.553 55.309 56.048 -0.310 0.000 1.143 558 H CB 0.213 29.532 29.762 -0.740 0.000 1.479 558 H HN -0.028 nan 8.280 nan 0.000 0.644 559 L N 1.430 122.738 121.223 0.141 0.000 2.056 559 L HA -0.189 4.152 4.340 0.002 0.000 0.245 559 L C 2.340 179.298 176.870 0.146 0.000 1.099 559 L CA 2.605 57.579 54.840 0.222 0.000 0.840 559 L CB -1.321 40.769 42.059 0.051 0.000 0.929 559 L HN 0.410 nan 8.230 nan 0.000 0.440 560 G N -1.101 107.734 108.800 0.058 0.000 2.484 560 G HA2 -0.206 3.755 3.960 0.002 0.000 0.218 560 G HA3 -0.206 3.755 3.960 0.002 0.000 0.218 560 G C 1.532 176.458 174.900 0.044 0.000 1.130 560 G CA 0.606 45.730 45.100 0.039 0.000 0.784 560 G HN 0.580 nan 8.290 nan 0.000 0.543 561 K N -0.190 120.233 120.400 0.040 0.000 2.280 561 K HA -0.040 4.281 4.320 0.002 0.000 0.202 561 K C 0.511 177.153 176.600 0.069 0.000 1.047 561 K CA 0.546 56.850 56.287 0.029 0.000 0.942 561 K CB 0.041 32.527 32.500 -0.024 0.000 0.739 561 K HN 0.240 nan 8.250 nan 0.000 0.457 562 N N -0.409 118.362 118.700 0.119 0.000 2.454 562 N HA 0.091 4.832 4.740 0.002 0.000 0.291 562 N C -2.380 173.205 175.510 0.124 0.000 1.079 562 N CA -1.710 51.415 53.050 0.126 0.000 0.893 562 N CB 1.883 40.470 38.487 0.165 0.000 1.512 562 N HN -0.269 nan 8.380 nan 0.000 0.497 563 P HA -0.155 nan 4.420 nan 0.000 0.217 563 P C 1.465 178.793 177.300 0.047 0.000 1.148 563 P CA 1.101 64.223 63.100 0.036 0.000 0.828 563 P CB 0.363 32.063 31.700 0.001 0.000 0.783 564 M N -1.494 118.158 119.600 0.088 0.000 2.175 564 M HA -0.006 4.475 4.480 0.002 0.000 0.264 564 M C 1.155 177.558 176.300 0.172 0.000 1.063 564 M CA 0.608 55.981 55.300 0.121 0.000 1.119 564 M CB -1.430 31.249 32.600 0.132 0.000 1.377 564 M HN -0.091 nan 8.290 nan 0.000 0.415 565 F N 0.935 120.913 119.950 0.047 0.000 2.411 565 F HA 0.548 5.076 4.527 0.002 0.000 0.350 565 F C 0.541 176.380 175.800 0.065 0.000 1.114 565 F CA -0.571 57.477 58.000 0.080 0.000 1.135 565 F CB 0.718 39.740 39.000 0.035 0.000 1.120 565 F HN 0.023 nan 8.300 nan 0.000 0.495 566 G N 4.587 113.066 108.800 -0.536 0.000 3.086 566 G HA2 0.517 4.478 3.960 0.002 0.000 0.282 566 G HA3 0.517 4.478 3.960 0.002 0.000 0.282 566 G C -1.970 172.604 174.900 -0.544 0.000 1.343 566 G CA -1.043 43.823 45.100 -0.390 0.000 0.895 566 G HN 0.677 nan 8.290 nan 0.000 0.557 567 K N 0.675 120.894 120.400 -0.301 0.000 2.535 567 K HA 0.507 4.828 4.320 0.002 0.000 0.250 567 K C -2.330 174.201 176.600 -0.116 0.000 0.948 567 K CA -1.237 54.910 56.287 -0.232 0.000 0.796 567 K CB 2.495 34.827 32.500 -0.280 0.000 1.216 567 K HN 0.434 nan 8.250 nan 0.000 0.432 568 P HA 0.336 nan 4.420 nan 0.000 0.307 568 P C -1.529 175.768 177.300 -0.005 0.000 1.306 568 P CA -0.488 62.588 63.100 -0.040 0.000 0.742 568 P CB 0.442 32.114 31.700 -0.046 0.000 1.349 569 K N -1.607 118.795 120.400 0.003 0.000 2.553 569 K HA 0.527 4.848 4.320 0.002 0.000 0.250 569 K C -2.939 173.676 176.600 0.024 0.000 0.953 569 K CA -1.845 54.454 56.287 0.020 0.000 0.800 569 K CB -0.323 32.183 32.500 0.010 0.000 1.243 569 K HN 0.070 nan 8.250 nan 0.000 0.435 570 P HA -0.119 nan 4.420 nan 0.000 0.258 570 P C -2.158 175.159 177.300 0.028 0.000 1.128 570 P CA -0.128 62.998 63.100 0.042 0.000 0.760 570 P CB -0.068 31.662 31.700 0.050 0.000 0.715 571 P HA 0.171 nan 4.420 nan 0.000 0.311 571 P C 0.617 177.928 177.300 0.019 0.000 1.395 571 P CA -0.013 63.099 63.100 0.020 0.000 0.860 571 P CB 0.416 32.129 31.700 0.021 0.000 2.148 572 K N -0.675 119.736 120.400 0.017 0.000 2.916 572 K HA 0.286 4.607 4.320 0.002 0.000 0.320 572 K C 1.361 177.972 176.600 0.017 0.000 1.032 572 K CA 0.556 56.851 56.287 0.014 0.000 1.074 572 K CB -0.657 31.849 32.500 0.010 0.000 1.192 572 K HN 0.210 nan 8.250 nan 0.000 0.468 573 A N -0.220 122.608 122.820 0.013 0.000 1.909 573 A HA 0.114 4.435 4.320 0.002 0.000 0.209 573 A C 2.054 179.645 177.584 0.012 0.000 1.247 573 A CA 1.316 53.361 52.037 0.014 0.000 0.660 573 A CB -0.795 18.211 19.000 0.010 0.000 0.910 573 A HN 0.677 nan 8.150 nan 0.000 0.465 574 G N -1.229 107.573 108.800 0.005 0.000 2.453 574 G HA2 -0.039 3.922 3.960 0.002 0.000 0.215 574 G HA3 -0.039 3.922 3.960 0.002 0.000 0.215 574 G C 0.841 175.739 174.900 -0.003 0.000 1.147 574 G CA 0.787 45.884 45.100 -0.005 0.000 0.802 574 G HN 0.517 nan 8.290 nan 0.000 0.535 575 C N 3.147 122.453 119.300 0.010 0.000 2.757 575 C HA 0.493 4.954 4.460 0.002 0.000 0.394 575 C C 1.661 176.678 174.990 0.045 0.000 1.311 575 C CA -1.008 58.026 59.018 0.026 0.000 1.323 575 C CB -2.647 25.109 27.740 0.026 0.000 2.159 575 C HN 0.713 nan 8.230 nan 0.000 0.611 576 A N 4.891 127.741 122.820 0.050 0.000 2.603 576 A HA -0.103 4.218 4.320 0.002 0.000 0.228 576 A C 0.491 178.138 177.584 0.106 0.000 1.118 576 A CA 0.818 52.910 52.037 0.093 0.000 0.921 576 A CB 0.155 19.291 19.000 0.228 0.000 0.938 576 A HN 0.901 nan 8.150 nan 0.000 0.475 577 E N 0.816 121.073 120.200 0.095 0.000 2.289 577 E HA 0.483 4.834 4.350 0.002 0.000 0.278 577 E C 0.243 176.751 176.600 -0.152 0.000 1.032 577 E CA 0.077 56.500 56.400 0.038 0.000 0.854 577 E CB 0.779 30.555 29.700 0.125 0.000 1.046 577 E HN 0.868 nan 8.360 nan 0.000 0.409 578 A N 3.887 126.613 122.820 -0.157 0.000 2.282 578 A HA 0.356 4.677 4.320 0.002 0.000 0.319 578 A C -0.422 177.002 177.584 -0.268 0.000 1.121 578 A CA -0.291 51.590 52.037 -0.261 0.000 0.836 578 A CB 0.481 19.415 19.000 -0.110 0.000 1.146 578 A HN 0.952 nan 8.150 nan 0.000 0.494 579 H N -0.810 118.377 119.070 0.196 0.000 3.457 579 H HA 0.377 4.934 4.556 0.002 0.000 0.255 579 H C -0.757 174.883 175.328 0.520 0.000 1.082 579 H CA 0.631 56.887 56.048 0.346 0.000 1.189 579 H CB 0.806 30.761 29.762 0.321 0.000 1.511 579 H HN 0.699 nan 8.280 nan 0.000 0.527 580 F N -0.154 119.881 119.950 0.141 0.000 2.804 580 F HA 0.414 4.942 4.527 0.002 0.000 0.320 580 F C -1.965 173.815 175.800 -0.033 0.000 1.135 580 F CA -2.140 55.804 58.000 -0.094 0.000 0.947 580 F CB 0.621 39.571 39.000 -0.083 0.000 1.260 580 F HN 0.021 nan 8.300 nan 0.000 0.447 581 C N 2.175 121.299 119.300 -0.294 0.000 2.712 581 C HA 0.945 5.406 4.460 0.002 0.000 0.308 581 C C -0.924 174.042 174.990 -0.040 0.000 1.201 581 C CA -0.918 57.967 59.018 -0.222 0.000 1.554 581 C CB 1.005 28.644 27.740 -0.168 0.000 2.117 581 C HN 1.083 nan 8.230 nan 0.000 0.480 582 L N 1.971 123.236 121.223 0.070 0.000 2.286 582 L HA 0.534 4.875 4.340 0.002 0.000 0.265 582 L C 0.087 176.937 176.870 -0.034 0.000 1.012 582 L CA -0.518 54.357 54.840 0.059 0.000 0.818 582 L CB 1.312 43.386 42.059 0.025 0.000 1.337 582 L HN 0.862 nan 8.230 nan 0.000 0.438 583 H N 1.743 120.730 119.070 -0.138 0.000 2.700 583 H HA 0.275 4.832 4.556 0.002 0.000 0.269 583 H C -1.085 174.196 175.328 -0.078 0.000 1.222 583 H CA -0.594 55.405 56.048 -0.081 0.000 1.254 583 H CB 0.151 29.905 29.762 -0.013 0.000 1.413 583 H HN 0.480 nan 8.280 nan 0.000 0.507 584 H N 4.669 123.645 119.070 -0.157 0.000 2.511 584 H HA -0.092 4.464 4.556 0.002 0.000 0.346 584 H C 0.946 176.034 175.328 -0.401 0.000 1.128 584 H CA -0.127 55.861 56.048 -0.100 0.000 1.342 584 H CB 1.076 30.929 29.762 0.152 0.000 1.470 584 H HN 0.720 nan 8.280 nan 0.000 0.546 585 Y N 0.702 120.921 120.300 -0.135 0.000 2.332 585 Y HA -0.211 4.340 4.550 0.002 0.000 0.283 585 Y C 1.700 177.426 175.900 -0.290 0.000 1.186 585 Y CA 1.085 59.074 58.100 -0.186 0.000 1.266 585 Y CB -0.724 37.696 38.460 -0.066 0.000 0.973 585 Y HN 0.518 nan 8.280 nan 0.000 0.548 586 A N 0.343 122.299 122.820 -1.438 0.000 2.278 586 A HA 0.565 4.886 4.320 0.002 0.000 0.212 586 A C 1.472 178.647 177.584 -0.683 0.000 1.213 586 A CA 0.676 51.877 52.037 -1.393 0.000 0.840 586 A CB -1.128 16.407 19.000 -2.441 0.000 0.866 586 A HN 1.150 nan 8.150 nan 0.000 0.489 587 G N -1.122 107.419 108.800 -0.431 0.000 2.342 587 G HA2 0.122 4.083 3.960 0.002 0.000 0.220 587 G HA3 0.122 4.083 3.960 0.002 0.000 0.220 587 G C -0.144 174.710 174.900 -0.076 0.000 1.243 587 G CA -0.087 44.899 45.100 -0.190 0.000 1.083 587 G HN 1.089 nan 8.290 nan 0.000 0.500 588 S N -0.464 115.239 115.700 0.005 0.000 2.448 588 S HA 0.630 5.101 4.470 0.002 0.000 0.320 588 S C -0.059 174.554 174.600 0.021 0.000 1.071 588 S CA -0.284 57.940 58.200 0.040 0.000 1.113 588 S CB 0.805 64.027 63.200 0.038 0.000 0.972 588 S HN 1.272 nan 8.310 nan 0.000 0.465 589 V N 4.995 124.947 119.914 0.063 0.000 2.472 589 V HA 0.520 4.641 4.120 0.002 0.000 0.290 589 V C -0.026 175.857 176.094 -0.351 0.000 1.037 589 V CA -0.608 61.620 62.300 -0.120 0.000 0.908 589 V CB 1.966 33.736 31.823 -0.089 0.000 0.985 589 V HN 0.927 nan 8.190 nan 0.000 0.454 590 S N 4.134 119.557 115.700 -0.461 0.000 2.449 590 S HA 0.707 5.178 4.470 0.002 0.000 0.310 590 S C -1.044 173.181 174.600 -0.626 0.000 1.096 590 S CA -0.482 57.449 58.200 -0.450 0.000 1.095 590 S CB 0.695 63.748 63.200 -0.245 0.000 1.007 590 S HN 0.516 nan 8.310 nan 0.000 0.474 591 Y N 0.931 120.945 120.300 -0.476 0.000 2.457 591 Y HA 0.620 5.171 4.550 0.002 0.000 0.333 591 Y C 0.766 176.535 175.900 -0.219 0.000 1.119 591 Y CA -0.686 57.196 58.100 -0.364 0.000 1.143 591 Y CB 1.467 39.652 38.460 -0.459 0.000 1.230 591 Y HN 0.570 nan 8.280 nan 0.000 0.469 592 S N 1.920 117.684 115.700 0.108 0.000 2.473 592 S HA 0.413 4.884 4.470 0.002 0.000 0.307 592 S C 0.358 175.197 174.600 0.400 0.000 1.094 592 S CA -0.630 57.623 58.200 0.088 0.000 1.070 592 S CB 0.442 63.715 63.200 0.120 0.000 1.019 592 S HN 0.618 nan 8.310 nan 0.000 0.480 593 I N 3.878 124.803 120.570 0.592 0.000 3.226 593 I HA 0.092 4.263 4.170 0.002 0.000 0.277 593 I C 2.348 178.589 176.117 0.206 0.000 1.243 593 I CA 0.965 62.236 61.300 -0.048 0.000 1.459 593 I CB -1.944 36.064 38.000 0.014 0.000 1.093 593 I HN 0.885 nan 8.210 nan 0.000 0.453 594 A N 1.593 124.697 122.820 0.473 0.000 2.557 594 A HA -0.352 3.969 4.320 0.002 0.000 0.260 594 A C 2.038 179.810 177.584 0.312 0.000 2.292 594 A CA 2.764 55.049 52.037 0.414 0.000 1.035 594 A CB -1.716 17.591 19.000 0.512 0.000 0.477 594 A HN 0.438 nan 8.150 nan 0.000 0.426 595 G N -4.140 104.872 108.800 0.354 0.000 3.434 595 G HA2 0.279 4.240 3.960 0.002 0.000 0.258 595 G HA3 0.279 4.240 3.960 0.002 0.000 0.258 595 G C 0.733 175.713 174.900 0.134 0.000 1.128 595 G CA 0.696 45.899 45.100 0.172 0.000 0.792 595 G HN 0.566 nan 8.290 nan 0.000 0.539 596 W N 1.073 122.298 121.300 -0.124 0.000 2.290 596 W HA -0.165 4.496 4.660 0.002 0.000 0.318 596 W C 2.307 178.564 176.519 -0.436 0.000 1.248 596 W CA 0.639 57.789 57.345 -0.325 0.000 1.263 596 W CB -0.993 28.299 29.460 -0.280 0.000 1.147 596 W HN 0.171 nan 8.180 nan 0.000 0.494 597 L N -0.341 120.805 121.223 -0.128 0.000 2.051 597 L HA -0.287 4.054 4.340 0.002 0.000 0.214 597 L C 2.160 178.944 176.870 -0.143 0.000 1.076 597 L CA 1.742 56.471 54.840 -0.186 0.000 0.758 597 L CB -0.760 41.221 42.059 -0.131 0.000 0.890 597 L HN 0.039 nan 8.230 nan 0.000 0.433 598 D N -0.186 120.147 120.400 -0.112 0.000 2.084 598 D HA -0.142 4.499 4.640 0.002 0.000 0.199 598 D C 2.066 178.267 176.300 -0.164 0.000 0.981 598 D CA 1.053 54.989 54.000 -0.106 0.000 0.841 598 D CB -0.166 40.585 40.800 -0.081 0.000 0.997 598 D HN 0.286 nan 8.370 nan 0.000 0.454 599 K N 0.996 121.253 120.400 -0.238 0.000 2.077 599 K HA -0.206 4.115 4.320 0.002 0.000 0.213 599 K C 1.884 178.311 176.600 -0.289 0.000 1.051 599 K CA 1.172 57.288 56.287 -0.285 0.000 0.929 599 K CB -0.401 31.876 32.500 -0.371 0.000 0.715 599 K HN 0.167 nan 8.250 nan 0.000 0.451 600 N N 1.205 119.645 118.700 -0.432 0.000 2.430 600 N HA -0.122 4.619 4.740 0.002 0.000 0.186 600 N C -0.314 175.103 175.510 -0.156 0.000 1.032 600 N CA 0.387 53.212 53.050 -0.376 0.000 0.893 600 N CB 0.186 38.391 38.487 -0.470 0.000 0.957 600 N HN 0.153 nan 8.380 nan 0.000 0.442 601 K N 1.370 121.704 120.400 -0.111 0.000 2.349 601 K HA 0.005 4.326 4.320 0.002 0.000 0.289 601 K C -0.893 175.703 176.600 -0.006 0.000 1.064 601 K CA 0.106 56.373 56.287 -0.035 0.000 0.947 601 K CB 0.828 33.319 32.500 -0.016 0.000 1.007 601 K HN 0.069 nan 8.250 nan 0.000 0.478 602 D N 5.185 125.596 120.400 0.019 0.000 2.656 602 D HA 0.154 4.795 4.640 0.002 0.000 0.303 602 D C -2.538 173.781 176.300 0.032 0.000 1.199 602 D CA -1.541 52.475 54.000 0.027 0.000 0.797 602 D CB 1.016 41.834 40.800 0.031 0.000 1.170 602 D HN 0.262 nan 8.370 nan 0.000 0.509 603 P HA 0.358 nan 4.420 nan 0.000 0.282 603 P C 0.190 177.403 177.300 -0.145 0.000 1.249 603 P CA -0.503 62.608 63.100 0.018 0.000 0.806 603 P CB 1.898 33.710 31.700 0.188 0.000 0.984 604 I N 2.790 123.162 120.570 -0.331 0.000 2.396 604 I HA 0.187 4.358 4.170 0.002 0.000 0.292 604 I C 0.749 176.481 176.117 -0.641 0.000 0.999 604 I CA -0.453 60.634 61.300 -0.355 0.000 1.310 604 I CB 0.748 38.594 38.000 -0.258 0.000 1.404 604 I HN 0.195 nan 8.210 nan 0.000 0.496 605 N N 6.429 124.909 118.700 -0.366 0.000 2.990 605 N HA 0.136 4.877 4.740 0.002 0.000 0.288 605 N C 0.560 175.963 175.510 -0.178 0.000 1.624 605 N CA -0.191 52.670 53.050 -0.314 0.000 0.961 605 N CB 0.913 39.312 38.487 -0.146 0.000 1.259 605 N HN 0.607 nan 8.380 nan 0.000 0.489 606 E N 1.207 121.290 120.200 -0.195 0.000 2.464 606 E HA -0.373 3.978 4.350 0.002 0.000 0.250 606 E C 1.034 177.607 176.600 -0.044 0.000 1.063 606 E CA 1.915 58.263 56.400 -0.087 0.000 1.155 606 E CB -0.121 29.556 29.700 -0.039 0.000 1.041 606 E HN 0.483 nan 8.360 nan 0.000 0.495 607 N N 0.163 118.848 118.700 -0.024 0.000 2.133 607 N HA -0.189 4.552 4.740 0.002 0.000 0.193 607 N C 1.952 177.449 175.510 -0.022 0.000 1.012 607 N CA 1.837 54.880 53.050 -0.012 0.000 0.871 607 N CB -0.466 38.020 38.487 -0.002 0.000 1.011 607 N HN 0.105 nan 8.380 nan 0.000 0.435 608 V N 0.925 120.819 119.914 -0.033 0.000 2.490 608 V HA -0.142 3.979 4.120 0.002 0.000 0.250 608 V C 2.498 178.570 176.094 -0.037 0.000 1.061 608 V CA 1.001 63.284 62.300 -0.029 0.000 1.064 608 V CB -0.539 31.268 31.823 -0.027 0.000 0.670 608 V HN 0.049 nan 8.190 nan 0.000 0.461 609 V N -0.012 119.878 119.914 -0.040 0.000 2.221 609 V HA -0.191 3.930 4.120 0.002 0.000 0.242 609 V C 2.623 178.690 176.094 -0.045 0.000 1.041 609 V CA 1.972 64.249 62.300 -0.038 0.000 0.995 609 V CB -0.687 31.124 31.823 -0.021 0.000 0.635 609 V HN 0.503 nan 8.190 nan 0.000 0.448 610 E N 0.047 120.235 120.200 -0.020 0.000 2.086 610 E HA -0.305 4.046 4.350 0.002 0.000 0.200 610 E C 2.142 178.713 176.600 -0.048 0.000 1.012 610 E CA 1.782 58.176 56.400 -0.011 0.000 0.812 610 E CB -0.662 29.044 29.700 0.011 0.000 0.743 610 E HN 0.450 nan 8.360 nan 0.000 0.453 611 L N 0.828 122.026 121.223 -0.041 0.000 2.042 611 L HA -0.136 4.205 4.340 0.002 0.000 0.210 611 L C 2.195 179.017 176.870 -0.081 0.000 1.076 611 L CA 1.425 56.237 54.840 -0.047 0.000 0.749 611 L CB -0.340 41.702 42.059 -0.028 0.000 0.893 611 L HN 0.054 nan 8.230 nan 0.000 0.432 612 L N -0.451 120.717 121.223 -0.092 0.000 2.675 612 L HA -0.027 4.313 4.340 0.002 0.000 0.239 612 L C 0.986 177.711 176.870 -0.240 0.000 1.151 612 L CA 0.236 55.000 54.840 -0.127 0.000 0.905 612 L CB -0.388 41.617 42.059 -0.091 0.000 1.057 612 L HN 0.415 nan 8.230 nan 0.000 0.435 613 Q N 0.361 119.983 119.800 -0.297 0.000 2.375 613 Q HA 0.222 4.563 4.340 0.002 0.000 0.316 613 Q C -0.733 174.950 176.000 -0.528 0.000 0.927 613 Q CA -0.153 55.271 55.803 -0.632 0.000 1.029 613 Q CB 0.291 28.717 28.738 -0.519 0.000 1.202 613 Q HN 0.328 nan 8.270 nan 0.000 0.431 614 N N -0.118 118.384 118.700 -0.331 0.000 2.329 614 N HA 0.299 5.040 4.740 0.002 0.000 0.282 614 N C -0.705 174.709 175.510 -0.159 0.000 1.198 614 N CA -0.290 52.641 53.050 -0.199 0.000 0.790 614 N CB 2.004 40.425 38.487 -0.109 0.000 1.579 614 N HN 0.064 nan 8.380 nan 0.000 0.475 615 S N 0.570 116.205 115.700 -0.108 0.000 3.678 615 S HA -0.206 4.265 4.470 0.002 0.000 0.657 615 S C -1.097 173.437 174.600 -0.110 0.000 2.117 615 S CA 0.361 58.511 58.200 -0.082 0.000 2.262 615 S CB -0.176 62.989 63.200 -0.059 0.000 0.326 615 S HN 0.702 nan 8.310 nan 0.000 1.652 616 K N 1.278 121.620 120.400 -0.096 0.000 4.789 616 K HA -0.189 4.132 4.320 0.002 0.000 0.520 616 K C 1.221 177.739 176.600 -0.137 0.000 1.309 616 K CA 1.460 57.674 56.287 -0.121 0.000 1.141 616 K CB -1.017 31.392 32.500 -0.151 0.000 1.885 616 K HN 0.704 nan 8.250 nan 0.000 0.283 617 E N 3.283 123.413 120.200 -0.117 0.000 2.160 617 E HA -0.276 4.075 4.350 0.002 0.000 0.237 617 E C -0.686 175.811 176.600 -0.173 0.000 1.069 617 E CA 2.397 58.727 56.400 -0.116 0.000 0.950 617 E CB -0.503 29.133 29.700 -0.106 0.000 0.832 617 E HN 0.564 nan 8.360 nan 0.000 0.496 618 P HA -0.215 nan 4.420 nan 0.000 0.211 618 P C 1.685 178.801 177.300 -0.307 0.000 1.181 618 P CA 1.670 64.528 63.100 -0.402 0.000 0.929 618 P CB -0.315 31.059 31.700 -0.543 0.000 0.789 619 I N -0.493 119.916 120.570 -0.268 0.000 2.188 619 I HA -0.305 3.866 4.170 0.002 0.000 0.246 619 I C 2.561 178.538 176.117 -0.232 0.000 1.033 619 I CA 2.337 63.504 61.300 -0.222 0.000 1.307 619 I CB -1.437 36.447 38.000 -0.193 0.000 1.005 619 I HN -0.107 nan 8.210 nan 0.000 0.421 620 V N 0.435 120.207 119.914 -0.237 0.000 2.214 620 V HA -0.338 3.783 4.120 0.002 0.000 0.245 620 V C 2.563 178.612 176.094 -0.076 0.000 1.047 620 V CA 2.343 64.447 62.300 -0.326 0.000 0.998 620 V CB -1.199 30.549 31.823 -0.126 0.000 0.633 620 V HN 0.414 nan 8.190 nan 0.000 0.446 621 K N -0.169 120.252 120.400 0.036 0.000 2.030 621 K HA -0.322 3.999 4.320 0.002 0.000 0.222 621 K C 2.181 178.793 176.600 0.021 0.000 1.056 621 K CA 2.853 59.176 56.287 0.060 0.000 0.957 621 K CB -0.428 32.016 32.500 -0.093 0.000 0.727 621 K HN 0.405 nan 8.250 nan 0.000 0.452 622 M N 0.726 120.253 119.600 -0.122 0.000 2.605 622 M HA -0.243 4.238 4.480 0.002 0.000 0.269 622 M C 2.188 178.480 176.300 -0.013 0.000 1.064 622 M CA 1.932 57.175 55.300 -0.095 0.000 1.078 622 M CB -0.601 31.904 32.600 -0.159 0.000 1.234 622 M HN 0.150 nan 8.290 nan 0.000 0.483 623 L N -1.142 120.053 121.223 -0.047 0.000 2.642 623 L HA -0.097 4.244 4.340 0.002 0.000 0.236 623 L C 1.795 178.709 176.870 0.074 0.000 1.169 623 L CA 0.671 55.497 54.840 -0.022 0.000 0.851 623 L CB -0.827 41.179 42.059 -0.088 0.000 0.968 623 L HN 0.285 nan 8.230 nan 0.000 0.453 624 F N -0.463 119.458 119.950 -0.048 0.000 2.765 624 F HA 0.043 4.571 4.527 0.002 0.000 0.302 624 F C 1.528 177.313 175.800 -0.024 0.000 1.111 624 F CA -0.715 57.262 58.000 -0.037 0.000 1.359 624 F CB 0.306 39.278 39.000 -0.046 0.000 1.097 624 F HN 0.026 nan 8.300 nan 0.000 0.577 644 F N 1.220 121.174 119.950 0.007 0.000 2.259 644 F HA -0.094 4.434 4.527 0.002 0.000 0.309 644 F C 0.593 176.398 175.800 0.008 0.000 1.079 644 F CA 0.415 58.418 58.000 0.006 0.000 1.099 644 F CB -1.546 37.452 39.000 -0.004 0.000 1.521 644 F HN 0.482 nan 8.300 nan 0.000 0.783 645 Q N 0.661 120.550 119.800 0.149 0.000 2.179 645 Q HA 0.761 5.102 4.340 0.002 0.000 0.174 645 Q C 0.893 176.942 176.000 0.082 0.000 1.044 645 Q CA 0.112 55.978 55.803 0.104 0.000 1.105 645 Q CB 0.702 29.490 28.738 0.084 0.000 1.213 645 Q HN 0.637 nan 8.270 nan 0.000 0.574 646 T N -3.940 110.658 114.554 0.073 0.000 2.858 646 T HA 0.575 4.926 4.350 0.002 0.000 0.285 646 T C 1.356 176.105 174.700 0.082 0.000 1.052 646 T CA -0.749 61.385 62.100 0.056 0.000 1.009 646 T CB 0.425 69.316 68.868 0.038 0.000 1.241 646 T HN 0.371 nan 8.240 nan 0.000 0.542 647 I N 1.089 121.709 120.570 0.084 0.000 2.202 647 I HA -0.174 3.997 4.170 0.002 0.000 0.242 647 I C 3.036 179.296 176.117 0.239 0.000 1.091 647 I CA 1.736 63.128 61.300 0.153 0.000 1.368 647 I CB -0.464 37.639 38.000 0.172 0.000 1.058 647 I HN 0.889 nan 8.210 nan 0.000 0.410 648 S N 1.015 116.882 115.700 0.278 0.000 2.359 648 S HA -0.278 4.193 4.470 0.002 0.000 0.223 648 S C 2.227 176.963 174.600 0.227 0.000 1.039 648 S CA 1.805 60.184 58.200 0.297 0.000 1.042 648 S CB -1.218 62.151 63.200 0.281 0.000 0.915 648 S HN 0.580 nan 8.310 nan 0.000 0.439 649 S N 2.055 117.857 115.700 0.169 0.000 2.380 649 S HA -0.152 4.319 4.470 0.002 0.000 0.229 649 S C 1.847 176.541 174.600 0.156 0.000 1.043 649 S CA 1.496 59.782 58.200 0.142 0.000 1.038 649 S CB -1.336 61.930 63.200 0.111 0.000 0.872 649 S HN 0.457 nan 8.310 nan 0.000 0.456 650 V N 2.487 122.498 119.914 0.161 0.000 2.229 650 V HA -0.181 3.940 4.120 0.002 0.000 0.243 650 V C 2.737 178.947 176.094 0.194 0.000 1.042 650 V CA 2.093 64.482 62.300 0.149 0.000 1.000 650 V CB -1.295 30.604 31.823 0.126 0.000 0.637 650 V HN 0.635 nan 8.190 nan 0.000 0.446 651 H N 1.090 120.232 119.070 0.120 0.000 2.330 651 H HA -0.233 4.323 4.556 0.002 0.000 0.290 651 H C 2.344 177.740 175.328 0.114 0.000 1.111 651 H CA 2.463 58.578 56.048 0.111 0.000 1.226 651 H CB -0.191 29.652 29.762 0.134 0.000 1.355 651 H HN 0.384 nan 8.280 nan 0.000 0.485 652 K N 0.136 120.763 120.400 0.379 0.000 2.020 652 K HA -0.195 4.126 4.320 0.002 0.000 0.212 652 K C 2.375 179.086 176.600 0.185 0.000 1.050 652 K CA 1.675 58.140 56.287 0.297 0.000 0.929 652 K CB -0.192 32.449 32.500 0.235 0.000 0.714 652 K HN 0.434 nan 8.250 nan 0.000 0.443 653 E N 0.296 120.586 120.200 0.151 0.000 2.085 653 E HA -0.186 4.165 4.350 0.002 0.000 0.194 653 E C 2.100 178.758 176.600 0.096 0.000 0.994 653 E CA 1.280 57.745 56.400 0.108 0.000 0.801 653 E CB 0.045 29.804 29.700 0.097 0.000 0.743 653 E HN 0.103 nan 8.360 nan 0.000 0.453 654 S N -0.163 115.596 115.700 0.097 0.000 2.338 654 S HA -0.142 4.329 4.470 0.002 0.000 0.218 654 S C 1.822 176.445 174.600 0.039 0.000 1.032 654 S CA 0.965 59.226 58.200 0.100 0.000 0.999 654 S CB -0.427 62.817 63.200 0.073 0.000 0.905 654 S HN 0.280 nan 8.310 nan 0.000 0.439 655 L N 3.225 124.441 121.223 -0.013 0.000 1.991 655 L HA -0.196 4.145 4.340 0.002 0.000 0.221 655 L C 1.935 178.747 176.870 -0.097 0.000 1.079 655 L CA 2.025 56.802 54.840 -0.104 0.000 0.778 655 L CB -1.689 40.306 42.059 -0.107 0.000 0.893 655 L HN 0.290 nan 8.230 nan 0.000 0.437 656 N N -0.014 118.672 118.700 -0.023 0.000 2.049 656 N HA -0.285 4.456 4.740 0.002 0.000 0.198 656 N C 1.899 177.393 175.510 -0.027 0.000 1.030 656 N CA 1.973 55.014 53.050 -0.016 0.000 0.870 656 N CB -0.367 38.139 38.487 0.031 0.000 1.045 656 N HN 0.476 nan 8.380 nan 0.000 0.434 657 K N 0.518 120.925 120.400 0.013 0.000 1.985 657 K HA -0.118 4.202 4.320 0.002 0.000 0.210 657 K C 2.053 178.626 176.600 -0.046 0.000 1.047 657 K CA 0.883 57.198 56.287 0.047 0.000 0.932 657 K CB -0.392 32.202 32.500 0.155 0.000 0.716 657 K HN 0.050 nan 8.250 nan 0.000 0.439 658 L N 1.391 122.462 121.223 -0.253 0.000 2.054 658 L HA -0.286 4.054 4.340 0.002 0.000 0.220 658 L C 2.083 178.669 176.870 -0.472 0.000 1.081 658 L CA 2.011 56.382 54.840 -0.783 0.000 0.780 658 L CB -0.573 40.876 42.059 -1.018 0.000 0.893 658 L HN 0.327 nan 8.230 nan 0.000 0.438 659 M N -0.425 118.996 119.600 -0.298 0.000 2.077 659 M HA -0.156 4.325 4.480 0.002 0.000 0.261 659 M C 2.287 178.564 176.300 -0.038 0.000 1.070 659 M CA 1.976 57.164 55.300 -0.186 0.000 1.125 659 M CB -1.397 31.144 32.600 -0.099 0.000 1.339 659 M HN 0.332 nan 8.290 nan 0.000 0.409 660 K N 1.263 121.643 120.400 -0.032 0.000 2.228 660 K HA -0.168 4.153 4.320 0.002 0.000 0.205 660 K C 1.271 177.923 176.600 0.087 0.000 1.045 660 K CA 1.953 58.258 56.287 0.030 0.000 0.931 660 K CB -0.683 31.834 32.500 0.028 0.000 0.727 660 K HN 0.579 nan 8.250 nan 0.000 0.458 661 N N -0.469 118.255 118.700 0.041 0.000 2.207 661 N HA -0.008 4.733 4.740 0.002 0.000 0.182 661 N C 1.661 177.225 175.510 0.089 0.000 1.020 661 N CA 1.095 54.213 53.050 0.113 0.000 0.858 661 N CB -0.075 38.474 38.487 0.103 0.000 0.991 661 N HN 0.067 nan 8.380 nan 0.000 0.427 662 L N -0.040 121.099 121.223 -0.140 0.000 2.005 662 L HA -0.139 4.202 4.340 0.002 0.000 0.207 662 L C 1.737 178.586 176.870 -0.035 0.000 1.072 662 L CA 1.200 55.852 54.840 -0.314 0.000 0.744 662 L CB -0.531 40.904 42.059 -1.040 0.000 0.895 662 L HN 0.208 nan 8.230 nan 0.000 0.433 663 Y N -0.537 119.737 120.300 -0.044 0.000 2.556 663 Y HA -0.196 4.355 4.550 0.002 0.000 0.290 663 Y C 2.775 178.812 175.900 0.228 0.000 1.149 663 Y CA 0.987 59.286 58.100 0.330 0.000 1.329 663 Y CB -0.385 38.203 38.460 0.213 0.000 0.975 663 Y HN 0.108 nan 8.280 nan 0.000 0.561 664 S N -1.188 114.684 115.700 0.286 0.000 2.470 664 S HA -0.032 4.439 4.470 0.002 0.000 0.225 664 S C 1.066 175.770 174.600 0.174 0.000 1.006 664 S CA 0.750 59.082 58.200 0.220 0.000 0.934 664 S CB -0.285 63.047 63.200 0.220 0.000 0.778 664 S HN 0.528 nan 8.310 nan 0.000 0.517 665 T N -0.879 113.791 114.554 0.192 0.000 2.927 665 T HA 0.383 4.734 4.350 0.002 0.000 0.281 665 T C -0.500 174.256 174.700 0.093 0.000 0.998 665 T CA -0.733 61.437 62.100 0.117 0.000 1.019 665 T CB 1.080 70.051 68.868 0.172 0.000 1.061 665 T HN 0.332 nan 8.240 nan 0.000 0.518 666 H N 2.875 121.870 119.070 -0.126 0.000 2.652 666 H HA 0.380 4.937 4.556 0.002 0.000 0.298 666 H C -2.378 172.701 175.328 -0.416 0.000 1.076 666 H CA -2.464 53.419 56.048 -0.274 0.000 1.360 666 H CB 1.076 30.683 29.762 -0.259 0.000 1.421 666 H HN 0.436 nan 8.280 nan 0.000 0.464 667 P HA 0.185 nan 4.420 nan 0.000 0.278 667 P C -1.102 175.552 177.300 -1.077 0.000 1.258 667 P CA -0.287 62.416 63.100 -0.662 0.000 0.811 667 P CB 1.857 33.115 31.700 -0.738 0.000 1.063 668 H N 0.241 119.016 119.070 -0.493 0.000 3.099 668 H HA 0.315 4.872 4.556 0.002 0.000 0.342 668 H C -1.058 174.129 175.328 -0.235 0.000 1.054 668 H CA -0.156 55.798 56.048 -0.157 0.000 1.328 668 H CB 0.643 30.367 29.762 -0.064 0.000 1.876 668 H HN 0.254 nan 8.280 nan 0.000 0.495 669 F N 1.789 121.916 119.950 0.295 0.000 2.402 669 F HA 0.391 4.919 4.527 0.002 0.000 0.355 669 F C 0.403 176.404 175.800 0.335 0.000 1.123 669 F CA -0.829 57.368 58.000 0.328 0.000 1.021 669 F CB 1.367 40.623 39.000 0.427 0.000 1.160 669 F HN 0.077 nan 8.300 nan 0.000 0.451 670 V N 4.620 124.755 119.914 0.367 0.000 2.483 670 V HA 0.571 4.691 4.120 0.002 0.000 0.295 670 V C -0.192 176.020 176.094 0.196 0.000 1.035 670 V CA -0.905 61.560 62.300 0.275 0.000 0.896 670 V CB 1.800 33.741 31.823 0.196 0.000 0.986 670 V HN 0.531 nan 8.190 nan 0.000 0.447 671 R N 2.807 123.380 120.500 0.123 0.000 2.320 671 R HA 0.442 4.783 4.340 0.002 0.000 0.319 671 R C -0.887 175.400 176.300 -0.023 0.000 0.969 671 R CA -0.323 55.775 56.100 -0.004 0.000 0.857 671 R CB 1.078 31.287 30.300 -0.151 0.000 1.160 671 R HN 0.621 nan 8.270 nan 0.000 0.491 672 C N 3.572 122.857 119.300 -0.025 0.000 2.459 672 C HA 0.628 5.088 4.460 0.002 0.000 0.374 672 C C 0.616 175.554 174.990 -0.088 0.000 1.241 672 C CA -0.217 58.766 59.018 -0.058 0.000 2.352 672 C CB 0.310 28.025 27.740 -0.042 0.000 2.490 672 C HN 0.678 nan 8.230 nan 0.000 0.583 673 I N 3.168 123.660 120.570 -0.130 0.000 2.610 673 I HA 0.336 4.507 4.170 0.002 0.000 0.289 673 I C -0.601 175.423 176.117 -0.155 0.000 1.163 673 I CA -0.318 60.902 61.300 -0.133 0.000 1.044 673 I CB 1.380 39.289 38.000 -0.151 0.000 1.251 673 I HN 0.482 nan 8.210 nan 0.000 0.424 674 I N 7.803 128.321 120.570 -0.086 0.000 2.496 674 I HA 0.144 4.315 4.170 0.002 0.000 0.285 674 I C -1.279 174.806 176.117 -0.055 0.000 1.080 674 I CA -1.075 60.200 61.300 -0.041 0.000 1.404 674 I CB 0.930 38.951 38.000 0.035 0.000 1.403 674 I HN 0.415 nan 8.210 nan 0.000 0.539 675 P HA 0.019 nan 4.420 nan 0.000 0.232 675 P C -0.682 176.656 177.300 0.063 0.000 1.170 675 P CA 0.748 63.808 63.100 -0.067 0.000 0.824 675 P CB 0.275 31.862 31.700 -0.187 0.000 0.896 676 N N -2.117 116.658 118.700 0.124 0.000 2.591 676 N HA 0.111 4.852 4.740 0.002 0.000 0.263 676 N C 0.454 175.998 175.510 0.057 0.000 1.308 676 N CA -0.699 52.401 53.050 0.082 0.000 0.837 676 N CB 0.385 38.920 38.487 0.079 0.000 1.548 676 N HN -0.386 nan 8.380 nan 0.000 0.493 677 E N 0.168 120.378 120.200 0.016 0.000 2.150 677 E HA 0.025 4.376 4.350 0.002 0.000 0.193 677 E C 0.065 176.643 176.600 -0.037 0.000 0.985 677 E CA 0.933 57.332 56.400 -0.002 0.000 0.814 677 E CB -0.044 29.646 29.700 -0.016 0.000 0.752 677 E HN 0.531 nan 8.360 nan 0.000 0.466 678 L N 2.375 123.560 121.223 -0.065 0.000 2.397 678 L HA 0.181 4.522 4.340 0.002 0.000 0.263 678 L C 0.026 176.741 176.870 -0.257 0.000 1.136 678 L CA -0.415 54.353 54.840 -0.120 0.000 1.019 678 L CB 0.019 42.025 42.059 -0.087 0.000 1.352 678 L HN -0.262 nan 8.230 nan 0.000 0.420 679 K N 1.793 121.950 120.400 -0.406 0.000 2.007 679 K HA -0.111 4.210 4.320 0.002 0.000 0.229 679 K C -0.205 175.866 176.600 -0.883 0.000 1.282 679 K CA 0.457 56.121 56.287 -1.040 0.000 1.456 679 K CB -1.077 31.056 32.500 -0.612 0.000 0.818 679 K HN 0.431 nan 8.250 nan 0.000 0.433 680 T N 2.475 116.623 114.554 -0.677 0.000 3.050 680 T HA 0.240 4.591 4.350 0.002 0.000 0.310 680 T C -2.541 172.156 174.700 -0.005 0.000 0.978 680 T CA -1.648 60.305 62.100 -0.245 0.000 1.013 680 T CB 1.753 70.548 68.868 -0.123 0.000 1.000 680 T HN 0.064 nan 8.240 nan 0.000 0.447 681 P HA 0.087 nan 4.420 nan 0.000 0.269 681 P C 1.282 178.627 177.300 0.076 0.000 1.200 681 P CA 1.252 64.464 63.100 0.187 0.000 0.779 681 P CB 0.263 32.020 31.700 0.094 0.000 0.841 682 G N -0.752 107.986 108.800 -0.103 0.000 2.494 682 G HA2 -0.313 3.648 3.960 0.002 0.000 0.252 682 G HA3 -0.313 3.648 3.960 0.002 0.000 0.252 682 G C 0.153 175.069 174.900 0.026 0.000 1.025 682 G CA 0.516 45.465 45.100 -0.252 0.000 0.638 682 G HN 0.608 nan 8.290 nan 0.000 0.544 683 L N 0.933 122.268 121.223 0.187 0.000 2.464 683 L HA 0.669 5.010 4.340 0.002 0.000 0.264 683 L C 0.133 177.183 176.870 0.301 0.000 1.199 683 L CA -0.267 54.694 54.840 0.202 0.000 0.818 683 L CB 0.689 42.824 42.059 0.127 0.000 1.102 683 L HN 0.192 nan 8.230 nan 0.000 0.473 684 I N 3.318 124.012 120.570 0.207 0.000 2.560 684 I HA 0.156 4.327 4.170 0.002 0.000 0.283 684 I C -0.873 175.314 176.117 0.117 0.000 1.115 684 I CA -0.659 60.742 61.300 0.168 0.000 1.066 684 I CB 1.347 39.460 38.000 0.187 0.000 1.221 684 I HN 0.509 nan 8.210 nan 0.000 0.450 685 D N 5.623 126.070 120.400 0.079 0.000 2.374 685 D HA 0.346 4.987 4.640 0.002 0.000 0.240 685 D C 1.093 177.426 176.300 0.054 0.000 1.229 685 D CA 0.172 54.204 54.000 0.054 0.000 0.895 685 D CB 1.637 42.456 40.800 0.031 0.000 1.046 685 D HN 0.661 nan 8.370 nan 0.000 0.498 686 A N 4.764 127.627 122.820 0.073 0.000 1.862 686 A HA -0.268 4.053 4.320 0.002 0.000 0.217 686 A C 2.200 179.819 177.584 0.059 0.000 1.251 686 A CA 2.656 54.742 52.037 0.082 0.000 0.673 686 A CB -1.184 17.875 19.000 0.099 0.000 0.843 686 A HN 0.673 nan 8.150 nan 0.000 0.458 687 A N -1.066 121.771 122.820 0.030 0.000 1.929 687 A HA -0.223 4.098 4.320 0.002 0.000 0.221 687 A C 2.211 179.826 177.584 0.051 0.000 1.211 687 A CA 2.450 54.501 52.037 0.023 0.000 0.657 687 A CB -0.918 18.070 19.000 -0.021 0.000 0.827 687 A HN 1.063 nan 8.150 nan 0.000 0.462 688 L N -0.212 121.034 121.223 0.038 0.000 1.989 688 L HA -0.141 4.199 4.340 0.002 0.000 0.211 688 L C 2.482 179.392 176.870 0.066 0.000 1.071 688 L CA 2.261 57.134 54.840 0.055 0.000 0.749 688 L CB -0.707 41.372 42.059 0.033 0.000 0.890 688 L HN 0.195 nan 8.230 nan 0.000 0.431 689 V N -0.314 119.622 119.914 0.037 0.000 2.233 689 V HA -0.341 3.780 4.120 0.002 0.000 0.247 689 V C 2.600 178.704 176.094 0.016 0.000 1.050 689 V CA 2.109 64.414 62.300 0.008 0.000 1.010 689 V CB -0.654 31.167 31.823 -0.002 0.000 0.637 689 V HN 0.444 nan 8.190 nan 0.000 0.444 690 L N -0.608 120.642 121.223 0.045 0.000 1.963 690 L HA -0.328 4.013 4.340 0.002 0.000 0.220 690 L C 2.619 179.513 176.870 0.040 0.000 1.076 690 L CA 2.563 57.432 54.840 0.049 0.000 0.772 690 L CB -1.080 41.041 42.059 0.103 0.000 0.892 690 L HN 0.448 nan 8.230 nan 0.000 0.435 691 H N 0.118 119.177 119.070 -0.018 0.000 2.325 691 H HA -0.260 4.297 4.556 0.002 0.000 0.293 691 H C 2.367 177.668 175.328 -0.045 0.000 1.106 691 H CA 2.378 58.409 56.048 -0.030 0.000 1.247 691 H CB -0.137 29.621 29.762 -0.008 0.000 1.359 691 H HN 0.347 nan 8.280 nan 0.000 0.488 692 Q N -0.348 119.429 119.800 -0.038 0.000 2.061 692 Q HA -0.165 4.176 4.340 0.002 0.000 0.204 692 Q C 2.650 178.551 176.000 -0.165 0.000 0.984 692 Q CA 1.720 57.461 55.803 -0.104 0.000 0.846 692 Q CB -0.195 28.514 28.738 -0.048 0.000 0.902 692 Q HN 0.493 nan 8.270 nan 0.000 0.421 693 L N 0.289 121.428 121.223 -0.141 0.000 2.127 693 L HA -0.212 4.129 4.340 0.002 0.000 0.211 693 L C 2.525 179.280 176.870 -0.192 0.000 1.089 693 L CA 1.254 55.994 54.840 -0.167 0.000 0.757 693 L CB -0.383 41.606 42.059 -0.117 0.000 0.899 693 L HN 0.185 nan 8.230 nan 0.000 0.434 694 R N -0.968 119.399 120.500 -0.221 0.000 2.073 694 R HA -0.068 4.273 4.340 0.002 0.000 0.229 694 R C 2.354 178.419 176.300 -0.391 0.000 1.120 694 R CA 1.523 57.453 56.100 -0.283 0.000 0.967 694 R CB -0.633 29.481 30.300 -0.310 0.000 0.862 694 R HN 0.406 nan 8.270 nan 0.000 0.436 695 C N 0.911 119.962 119.300 -0.414 0.000 2.457 695 C HA 0.032 4.493 4.460 0.002 0.000 0.278 695 C C 2.347 177.310 174.990 -0.044 0.000 1.309 695 C CA 0.034 58.857 59.018 -0.325 0.000 1.735 695 C CB -1.063 26.539 27.740 -0.231 0.000 1.992 695 C HN 0.482 nan 8.230 nan 0.000 0.493 696 N N 0.516 119.137 118.700 -0.131 0.000 2.036 696 N HA -0.094 4.647 4.740 0.002 0.000 0.195 696 N C 1.759 177.141 175.510 -0.214 0.000 1.037 696 N CA 2.511 55.447 53.050 -0.191 0.000 0.855 696 N CB -0.339 37.953 38.487 -0.326 0.000 1.033 696 N HN 0.670 nan 8.380 nan 0.000 0.423 697 G N -1.416 107.288 108.800 -0.161 0.000 2.255 697 G HA2 -0.238 3.723 3.960 0.002 0.000 0.196 697 G HA3 -0.238 3.723 3.960 0.002 0.000 0.196 697 G C 1.043 175.822 174.900 -0.202 0.000 0.998 697 G CA 0.347 45.392 45.100 -0.091 0.000 0.656 697 G HN 0.212 nan 8.290 nan 0.000 0.490 698 V N 1.417 120.993 119.914 -0.563 0.000 2.317 698 V HA -0.213 3.908 4.120 0.002 0.000 0.251 698 V C 2.841 178.894 176.094 -0.069 0.000 1.065 698 V CA 2.614 64.603 62.300 -0.518 0.000 1.049 698 V CB -0.397 31.133 31.823 -0.488 0.000 0.651 698 V HN 0.522 nan 8.190 nan 0.000 0.450 699 L N -0.536 120.641 121.223 -0.077 0.000 2.313 699 L HA -0.078 4.263 4.340 0.002 0.000 0.214 699 L C 2.436 179.331 176.870 0.041 0.000 1.119 699 L CA 1.285 56.115 54.840 -0.016 0.000 0.809 699 L CB -0.487 41.541 42.059 -0.051 0.000 0.933 699 L HN 0.378 nan 8.230 nan 0.000 0.449 700 E N 0.875 121.122 120.200 0.080 0.000 2.216 700 E HA -0.091 4.260 4.350 0.002 0.000 0.192 700 E C 2.103 178.790 176.600 0.144 0.000 0.988 700 E CA 1.130 57.607 56.400 0.128 0.000 0.834 700 E CB -0.042 29.779 29.700 0.201 0.000 0.772 700 E HN 0.283 nan 8.360 nan 0.000 0.479 701 G N 0.814 109.753 108.800 0.233 0.000 2.414 701 G HA2 -0.212 3.749 3.960 0.002 0.000 0.215 701 G HA3 -0.212 3.749 3.960 0.002 0.000 0.215 701 G C 1.605 176.568 174.900 0.105 0.000 1.188 701 G CA 0.865 46.122 45.100 0.261 0.000 0.783 701 G HN 0.311 nan 8.290 nan 0.000 0.537 702 I N 0.293 120.935 120.570 0.119 0.000 2.315 702 I HA -0.185 3.986 4.170 0.002 0.000 0.251 702 I C 2.818 178.954 176.117 0.031 0.000 1.125 702 I CA 0.962 62.304 61.300 0.070 0.000 1.392 702 I CB -0.130 37.911 38.000 0.067 0.000 1.065 702 I HN 0.091 nan 8.210 nan 0.000 0.424 703 R N 1.039 121.555 120.500 0.027 0.000 2.070 703 R HA -0.166 4.175 4.340 0.002 0.000 0.233 703 R C 2.344 178.616 176.300 -0.045 0.000 1.137 703 R CA 1.805 57.911 56.100 0.011 0.000 0.945 703 R CB -0.263 30.057 30.300 0.033 0.000 0.845 703 R HN 0.325 nan 8.270 nan 0.000 0.430 704 I N -0.150 120.346 120.570 -0.124 0.000 2.252 704 I HA -0.320 3.851 4.170 0.002 0.000 0.245 704 I C 2.667 178.607 176.117 -0.296 0.000 1.102 704 I CA 0.679 61.772 61.300 -0.345 0.000 1.385 704 I CB -0.405 37.210 38.000 -0.643 0.000 1.064 704 I HN 0.329 nan 8.210 nan 0.000 0.414 705 C N 1.009 120.217 119.300 -0.154 0.000 2.398 705 C HA -0.205 4.256 4.460 0.002 0.000 0.276 705 C C 3.031 178.028 174.990 0.012 0.000 1.222 705 C CA 1.226 60.218 59.018 -0.043 0.000 1.746 705 C CB -1.083 26.669 27.740 0.020 0.000 2.039 705 C HN 0.410 nan 8.230 nan 0.000 0.470 706 R N 0.937 121.443 120.500 0.011 0.000 2.115 706 R HA -0.201 4.140 4.340 0.002 0.000 0.239 706 R C 2.107 178.429 176.300 0.037 0.000 1.133 706 R CA 2.246 58.368 56.100 0.036 0.000 0.935 706 R CB -0.407 29.914 30.300 0.035 0.000 0.853 706 R HN 0.711 nan 8.270 nan 0.000 0.433 707 K N -0.111 120.307 120.400 0.029 0.000 2.589 707 K HA -0.025 4.296 4.320 0.002 0.000 0.195 707 K C 0.880 177.598 176.600 0.198 0.000 1.040 707 K CA 1.223 57.578 56.287 0.114 0.000 0.950 707 K CB 0.104 32.689 32.500 0.141 0.000 0.781 707 K HN 0.203 nan 8.250 nan 0.000 0.486 708 G N 0.404 109.278 108.800 0.124 0.000 3.212 708 G HA2 0.492 4.453 3.960 0.002 0.000 0.188 708 G HA3 0.492 4.453 3.960 0.002 0.000 0.188 708 G C -1.261 173.627 174.900 -0.019 0.000 1.254 708 G CA -1.117 44.094 45.100 0.185 0.000 0.957 708 G HN 0.146 nan 8.290 nan 0.000 0.596 709 F N 2.012 122.253 119.950 0.485 0.000 2.318 709 F HA 0.321 4.849 4.527 0.002 0.000 0.356 709 F C -1.112 174.878 175.800 0.317 0.000 1.109 709 F CA -1.847 56.398 58.000 0.408 0.000 1.234 709 F CB 1.834 41.127 39.000 0.489 0.000 1.545 709 F HN 0.188 nan 8.300 nan 0.000 0.534 710 P HA -0.156 nan 4.420 nan 0.000 0.214 710 P C -0.148 177.225 177.300 0.122 0.000 1.162 710 P CA 1.168 64.387 63.100 0.198 0.000 0.879 710 P CB 0.257 32.047 31.700 0.149 0.000 0.786 711 N N 1.402 120.197 118.700 0.158 0.000 2.497 711 N HA 0.184 4.925 4.740 0.002 0.000 0.271 711 N C 0.084 175.517 175.510 -0.128 0.000 1.142 711 N CA 0.227 53.334 53.050 0.096 0.000 0.965 711 N CB 0.515 39.156 38.487 0.258 0.000 1.077 711 N HN 0.168 nan 8.380 nan 0.000 0.462 712 R N 1.557 121.880 120.500 -0.296 0.000 2.574 712 R HA 0.566 4.907 4.340 0.002 0.000 0.288 712 R C -0.923 175.122 176.300 -0.425 0.000 1.004 712 R CA -0.647 55.068 56.100 -0.642 0.000 0.895 712 R CB 1.457 31.149 30.300 -1.014 0.000 1.191 712 R HN 0.392 nan 8.270 nan 0.000 0.444 713 I N 3.396 123.688 120.570 -0.463 0.000 2.498 713 I HA 0.366 4.537 4.170 0.002 0.000 0.290 713 I C 0.040 175.963 176.117 -0.323 0.000 1.032 713 I CA -0.580 60.569 61.300 -0.250 0.000 1.073 713 I CB 1.817 39.825 38.000 0.012 0.000 1.251 713 I HN 0.464 nan 8.210 nan 0.000 0.426 714 I N 4.872 125.306 120.570 -0.227 0.000 2.752 714 I HA -0.032 4.139 4.170 0.002 0.000 0.287 714 I C 0.898 176.923 176.117 -0.153 0.000 1.188 714 I CA 0.229 61.381 61.300 -0.247 0.000 1.427 714 I CB 0.159 38.089 38.000 -0.117 0.000 1.365 714 I HN 0.631 nan 8.210 nan 0.000 0.585 715 Y N 3.149 123.455 120.300 0.011 0.000 2.081 715 Y HA -0.336 4.215 4.550 0.002 0.000 0.280 715 Y C 2.900 178.868 175.900 0.114 0.000 1.163 715 Y CA 1.774 59.912 58.100 0.064 0.000 1.135 715 Y CB -0.382 38.097 38.460 0.031 0.000 0.970 715 Y HN 0.822 nan 8.280 nan 0.000 0.498 716 S N 0.147 115.966 115.700 0.197 0.000 2.389 716 S HA -0.324 4.147 4.470 0.002 0.000 0.231 716 S C 1.659 176.306 174.600 0.078 0.000 1.052 716 S CA 1.911 60.180 58.200 0.114 0.000 1.053 716 S CB -0.637 62.597 63.200 0.056 0.000 0.886 716 S HN 0.569 nan 8.310 nan 0.000 0.456 717 E N -0.205 120.033 120.200 0.062 0.000 2.106 717 E HA -0.038 4.313 4.350 0.002 0.000 0.192 717 E C 1.776 178.403 176.600 0.045 0.000 0.984 717 E CA 1.114 57.524 56.400 0.016 0.000 0.806 717 E CB -0.271 29.428 29.700 -0.002 0.000 0.750 717 E HN 0.687 nan 8.360 nan 0.000 0.458 718 F N 2.038 122.017 119.950 0.050 0.000 2.186 718 F HA -0.147 4.381 4.527 0.002 0.000 0.299 718 F C 2.295 178.153 175.800 0.098 0.000 1.090 718 F CA 1.425 59.513 58.000 0.148 0.000 1.307 718 F CB 0.085 39.241 39.000 0.260 0.000 1.019 718 F HN -0.204 nan 8.300 nan 0.000 0.489 719 K N 0.144 120.672 120.400 0.213 0.000 1.985 719 K HA -0.296 4.025 4.320 0.002 0.000 0.210 719 K C 2.246 178.794 176.600 -0.087 0.000 1.047 719 K CA 1.903 58.246 56.287 0.093 0.000 0.932 719 K CB -0.486 32.080 32.500 0.109 0.000 0.716 719 K HN 0.351 nan 8.250 nan 0.000 0.439 720 Q N -0.059 119.681 119.800 -0.100 0.000 2.376 720 Q HA -0.216 4.125 4.340 0.002 0.000 0.211 720 Q C 1.759 177.589 176.000 -0.285 0.000 0.986 720 Q CA 1.409 57.117 55.803 -0.159 0.000 0.886 720 Q CB 0.116 28.776 28.738 -0.130 0.000 0.927 720 Q HN 0.085 nan 8.270 nan 0.000 0.457 721 R N -1.440 118.783 120.500 -0.461 0.000 2.195 721 R HA 0.047 4.388 4.340 0.002 0.000 0.197 721 R C 0.426 176.116 176.300 -1.017 0.000 0.990 721 R CA 1.072 56.691 56.100 -0.801 0.000 1.048 721 R CB 0.294 29.926 30.300 -1.114 0.000 0.997 721 R HN 0.315 nan 8.270 nan 0.000 0.502 722 Y N -0.835 119.196 120.300 -0.449 0.000 2.500 722 Y HA 0.379 4.929 4.550 0.001 0.000 0.246 722 Y C 1.758 177.544 175.900 -0.190 0.000 1.146 722 Y CA -0.153 57.730 58.100 -0.361 0.000 1.230 722 Y CB 0.620 38.755 38.460 -0.543 0.000 1.214 722 Y HN -0.079 nan 8.280 nan 0.000 0.526 723 S N 1.262 116.918 115.700 -0.072 0.000 2.378 723 S HA -0.306 4.165 4.470 0.002 0.000 0.229 723 S C 2.057 176.653 174.600 -0.006 0.000 1.052 723 S CA 2.041 60.238 58.200 -0.006 0.000 1.084 723 S CB -0.542 62.638 63.200 -0.033 0.000 0.950 723 S HN 0.595 nan 8.310 nan 0.000 0.440 724 I N 1.250 121.793 120.570 -0.044 0.000 2.285 724 I HA -0.290 3.881 4.170 0.002 0.000 0.253 724 I C 1.662 177.780 176.117 0.001 0.000 1.104 724 I CA 1.409 62.688 61.300 -0.034 0.000 1.372 724 I CB -0.101 37.864 38.000 -0.057 0.000 1.057 724 I HN 0.311 nan 8.210 nan 0.000 0.431 725 L N 0.311 121.553 121.223 0.031 0.000 2.201 725 L HA -0.051 4.290 4.340 0.002 0.000 0.212 725 L C 1.233 178.126 176.870 0.039 0.000 1.105 725 L CA 0.950 55.817 54.840 0.044 0.000 0.775 725 L CB -0.390 41.709 42.059 0.068 0.000 0.913 725 L HN 0.382 nan 8.230 nan 0.000 0.440 726 A N -0.425 122.420 122.820 0.043 0.000 3.448 726 A HA 0.369 4.690 4.320 0.002 0.000 0.232 726 A C -2.320 175.284 177.584 0.033 0.000 1.018 726 A CA -0.822 51.239 52.037 0.040 0.000 0.996 726 A CB -0.370 18.661 19.000 0.053 0.000 1.283 726 A HN -0.064 nan 8.150 nan 0.000 0.586 727 P HA 0.228 nan 4.420 nan 0.000 0.271 727 P C -0.652 176.656 177.300 0.013 0.000 1.233 727 P CA 0.381 63.485 63.100 0.007 0.000 0.795 727 P CB 0.603 32.300 31.700 -0.005 0.000 0.936 728 N N -2.794 115.911 118.700 0.008 0.000 2.815 728 N HA 0.325 5.066 4.740 0.002 0.000 0.253 728 N C 0.269 175.786 175.510 0.010 0.000 1.202 728 N CA -0.433 52.626 53.050 0.014 0.000 0.925 728 N CB 0.178 38.678 38.487 0.022 0.000 1.622 728 N HN 0.216 nan 8.380 nan 0.000 0.497 729 A N 0.297 123.127 122.820 0.017 0.000 2.148 729 A HA -0.014 4.307 4.320 0.002 0.000 0.222 729 A C 0.461 178.059 177.584 0.023 0.000 1.161 729 A CA 1.167 53.216 52.037 0.019 0.000 0.662 729 A CB -0.811 18.206 19.000 0.028 0.000 0.799 729 A HN 0.549 nan 8.150 nan 0.000 0.466 730 V N 1.515 121.446 119.914 0.029 0.000 2.479 730 V HA 0.150 4.271 4.120 0.002 0.000 0.281 730 V C -2.100 173.981 176.094 -0.021 0.000 1.031 730 V CA -1.382 60.945 62.300 0.044 0.000 1.038 730 V CB 0.243 32.105 31.823 0.065 0.000 0.981 730 V HN 0.244 nan 8.190 nan 0.000 0.478 731 P HA -0.002 nan 4.420 nan 0.000 0.261 731 P C 0.909 178.049 177.300 -0.267 0.000 1.173 731 P CA 0.414 63.370 63.100 -0.239 0.000 0.760 731 P CB 0.390 31.789 31.700 -0.501 0.000 0.783 732 S N 2.282 117.863 115.700 -0.199 0.000 2.520 732 S HA -0.105 4.366 4.470 0.002 0.000 0.249 732 S C 1.923 176.405 174.600 -0.196 0.000 0.983 732 S CA 1.502 59.609 58.200 -0.154 0.000 0.958 732 S CB -0.655 62.473 63.200 -0.120 0.000 0.750 732 S HN 0.761 nan 8.310 nan 0.000 0.527 733 G N -0.675 107.897 108.800 -0.380 0.000 2.595 733 G HA2 0.110 4.071 3.960 0.002 0.000 0.213 733 G HA3 0.110 4.071 3.960 0.002 0.000 0.213 733 G C 0.787 175.542 174.900 -0.242 0.000 1.141 733 G CA -0.118 44.749 45.100 -0.388 0.000 0.806 733 G HN 0.608 nan 8.290 nan 0.000 0.530 734 F N 0.987 120.937 119.950 0.001 0.000 2.678 734 F HA 0.529 5.057 4.527 0.002 0.000 0.305 734 F C 1.368 177.169 175.800 0.003 0.000 1.090 734 F CA -0.684 57.317 58.000 0.002 0.000 1.272 734 F CB 0.713 39.713 39.000 0.001 0.000 1.060 734 F HN 0.073 nan 8.300 nan 0.000 0.576 735 A N 1.462 124.337 122.820 0.092 0.000 2.309 735 A HA 0.140 4.461 4.320 0.002 0.000 0.290 735 A C -0.201 177.414 177.584 0.052 0.000 1.206 735 A CA -0.499 51.576 52.037 0.064 0.000 0.850 735 A CB 0.022 19.037 19.000 0.025 0.000 1.118 735 A HN 0.212 nan 8.150 nan 0.000 0.523 736 D N 2.804 123.231 120.400 0.044 0.000 2.414 736 D HA 0.178 4.819 4.640 0.002 0.000 0.242 736 D C 1.369 177.676 176.300 0.012 0.000 1.129 736 D CA 0.785 54.801 54.000 0.026 0.000 0.885 736 D CB 1.432 42.233 40.800 0.001 0.000 1.198 736 D HN 0.408 nan 8.370 nan 0.000 0.437 737 G N 3.965 112.788 108.800 0.038 0.000 2.453 737 G HA2 -0.280 3.681 3.960 0.002 0.000 0.215 737 G HA3 -0.280 3.681 3.960 0.002 0.000 0.215 737 G C 1.469 176.285 174.900 -0.140 0.000 1.201 737 G CA 0.956 46.103 45.100 0.079 0.000 0.784 737 G HN 0.634 nan 8.290 nan 0.000 0.545 738 K N -0.153 119.945 120.400 -0.503 0.000 2.032 738 K HA -0.181 4.140 4.320 0.002 0.000 0.218 738 K C 2.620 178.932 176.600 -0.480 0.000 1.054 738 K CA 1.984 57.609 56.287 -1.102 0.000 0.941 738 K CB -0.530 31.480 32.500 -0.816 0.000 0.720 738 K HN 0.170 nan 8.250 nan 0.000 0.449 739 V N 0.600 120.372 119.914 -0.238 0.000 2.217 739 V HA -0.352 3.769 4.120 0.002 0.000 0.248 739 V C 2.346 178.404 176.094 -0.059 0.000 1.050 739 V CA 2.216 64.448 62.300 -0.113 0.000 1.007 739 V CB -0.721 31.071 31.823 -0.051 0.000 0.639 739 V HN 0.238 nan 8.190 nan 0.000 0.452 740 V N -0.122 119.788 119.914 -0.006 0.000 2.223 740 V HA -0.412 3.709 4.120 0.002 0.000 0.253 740 V C 2.560 178.723 176.094 0.116 0.000 1.061 740 V CA 3.063 65.404 62.300 0.069 0.000 1.035 740 V CB -1.302 30.587 31.823 0.110 0.000 0.653 740 V HN 0.755 nan 8.190 nan 0.000 0.454 741 T N -0.574 114.068 114.554 0.146 0.000 2.592 741 T HA -0.334 4.017 4.350 0.002 0.000 0.267 741 T C 1.677 176.346 174.700 -0.051 0.000 1.060 741 T CA 2.031 64.181 62.100 0.084 0.000 1.167 741 T CB -0.589 68.197 68.868 -0.136 0.000 0.863 741 T HN 0.665 nan 8.240 nan 0.000 0.431 742 D N 1.055 121.401 120.400 -0.091 0.000 2.212 742 D HA -0.143 4.498 4.640 0.002 0.000 0.197 742 D C 2.098 178.404 176.300 0.009 0.000 1.004 742 D CA 1.500 55.476 54.000 -0.039 0.000 0.864 742 D CB -0.270 40.496 40.800 -0.056 0.000 1.027 742 D HN 0.345 nan 8.370 nan 0.000 0.455 743 K N 0.129 120.539 120.400 0.017 0.000 2.242 743 K HA -0.185 4.136 4.320 0.002 0.000 0.206 743 K C 2.095 178.729 176.600 0.057 0.000 1.045 743 K CA 1.205 57.514 56.287 0.037 0.000 0.930 743 K CB -0.215 32.304 32.500 0.033 0.000 0.726 743 K HN 0.206 nan 8.250 nan 0.000 0.462 744 A N 1.296 124.171 122.820 0.092 0.000 1.929 744 A HA -0.080 4.241 4.320 0.002 0.000 0.216 744 A C 2.114 179.739 177.584 0.068 0.000 1.176 744 A CA 1.004 53.117 52.037 0.127 0.000 0.628 744 A CB -0.375 18.802 19.000 0.295 0.000 0.816 744 A HN 0.132 nan 8.150 nan 0.000 0.444 745 L N -0.743 120.486 121.223 0.010 0.000 2.023 745 L HA -0.120 4.221 4.340 0.002 0.000 0.205 745 L C 2.839 179.714 176.870 0.008 0.000 1.073 745 L CA 1.314 56.112 54.840 -0.069 0.000 0.745 745 L CB -0.762 41.122 42.059 -0.292 0.000 0.900 745 L HN 0.297 nan 8.230 nan 0.000 0.435 746 S N 0.500 116.229 115.700 0.049 0.000 2.381 746 S HA -0.321 4.150 4.470 0.002 0.000 0.230 746 S C 2.183 176.810 174.600 0.046 0.000 1.052 746 S CA 1.648 59.888 58.200 0.066 0.000 1.068 746 S CB -0.509 62.726 63.200 0.057 0.000 0.918 746 S HN 0.528 nan 8.310 nan 0.000 0.448 747 A N 0.910 123.753 122.820 0.037 0.000 1.933 747 A HA 0.027 4.348 4.320 0.002 0.000 0.218 747 A C 1.888 179.487 177.584 0.024 0.000 1.175 747 A CA 1.147 53.203 52.037 0.032 0.000 0.628 747 A CB -0.529 18.492 19.000 0.035 0.000 0.814 747 A HN 0.498 nan 8.150 nan 0.000 0.444 748 L N -1.162 120.070 121.223 0.015 0.000 2.612 748 L HA 0.074 4.415 4.340 0.002 0.000 0.230 748 L C -0.037 176.840 176.870 0.012 0.000 1.140 748 L CA -0.165 54.677 54.840 0.003 0.000 0.896 748 L CB -0.489 41.555 42.059 -0.024 0.000 1.065 748 L HN 0.459 nan 8.230 nan 0.000 0.447 749 Q N 1.095 120.913 119.800 0.030 0.000 2.397 749 Q HA -0.198 4.142 4.340 0.002 0.000 0.362 749 Q C -0.818 175.216 176.000 0.056 0.000 1.324 749 Q CA 0.393 56.224 55.803 0.047 0.000 1.063 749 Q CB -0.630 28.130 28.738 0.038 0.000 1.185 749 Q HN 0.164 nan 8.270 nan 0.000 0.305 750 L N 2.229 123.508 121.223 0.093 0.000 2.313 750 L HA 0.378 4.719 4.340 0.002 0.000 0.283 750 L C -0.342 176.659 176.870 0.218 0.000 1.013 750 L CA -0.481 54.435 54.840 0.126 0.000 0.816 750 L CB 1.546 43.648 42.059 0.072 0.000 1.236 750 L HN 0.332 nan 8.230 nan 0.000 0.419 751 D N 7.423 127.918 120.400 0.159 0.000 2.536 751 D HA -0.042 4.598 4.640 0.002 0.000 0.260 751 D C -1.460 174.946 176.300 0.176 0.000 1.270 751 D CA -1.028 53.053 54.000 0.136 0.000 0.934 751 D CB 1.038 41.902 40.800 0.107 0.000 1.129 751 D HN 0.413 nan 8.370 nan 0.000 0.533 752 P HA -0.204 nan 4.420 nan 0.000 0.221 752 P C 0.864 178.075 177.300 -0.148 0.000 1.141 752 P CA 0.696 63.725 63.100 -0.119 0.000 0.794 752 P CB 0.315 31.952 31.700 -0.105 0.000 0.764 753 N N -0.123 118.594 118.700 0.029 0.000 2.459 753 N HA -0.075 4.666 4.740 0.002 0.000 0.181 753 N C 1.317 176.962 175.510 0.225 0.000 1.046 753 N CA 0.755 53.863 53.050 0.096 0.000 0.904 753 N CB 0.007 38.543 38.487 0.082 0.000 0.964 753 N HN 0.235 nan 8.380 nan 0.000 0.444 754 E N -0.032 120.335 120.200 0.278 0.000 2.489 754 E HA -0.016 4.335 4.350 0.002 0.000 0.193 754 E C -0.218 176.783 176.600 0.668 0.000 1.057 754 E CA 0.200 56.846 56.400 0.410 0.000 0.866 754 E CB 0.085 29.977 29.700 0.320 0.000 0.916 754 E HN 0.475 nan 8.360 nan 0.000 0.500 755 Y N -2.160 118.374 120.300 0.389 0.000 2.641 755 Y HA 0.594 5.145 4.550 0.002 0.000 0.333 755 Y C -1.080 174.843 175.900 0.038 0.000 1.174 755 Y CA -1.444 56.858 58.100 0.336 0.000 1.057 755 Y CB 0.882 39.651 38.460 0.515 0.000 1.322 755 Y HN -0.345 nan 8.280 nan 0.000 0.457 756 R N 2.338 122.746 120.500 -0.154 0.000 2.673 756 R HA 0.585 4.926 4.340 0.002 0.000 0.281 756 R C -1.657 174.607 176.300 -0.059 0.000 0.991 756 R CA -1.092 54.836 56.100 -0.287 0.000 0.896 756 R CB 2.770 32.746 30.300 -0.541 0.000 1.201 756 R HN 0.802 nan 8.270 nan 0.000 0.457 757 L N 2.344 123.562 121.223 -0.007 0.000 2.268 757 L HA 0.357 4.698 4.340 0.002 0.000 0.289 757 L C 1.109 178.023 176.870 0.074 0.000 1.064 757 L CA -0.436 54.476 54.840 0.120 0.000 0.824 757 L CB 1.012 43.155 42.059 0.140 0.000 1.202 757 L HN 0.738 nan 8.230 nan 0.000 0.433 758 G N 1.682 110.542 108.800 0.101 0.000 2.535 758 G HA2 0.059 4.020 3.960 0.002 0.000 0.282 758 G HA3 0.059 4.020 3.960 0.002 0.000 0.282 758 G C 0.648 175.607 174.900 0.098 0.000 1.350 758 G CA -0.467 44.656 45.100 0.038 0.000 1.039 758 G HN 0.598 nan 8.290 nan 0.000 0.509 759 N N -0.839 117.887 118.700 0.043 0.000 2.409 759 N HA -0.044 4.697 4.740 0.002 0.000 0.179 759 N C 1.809 177.369 175.510 0.084 0.000 1.032 759 N CA 1.617 54.710 53.050 0.072 0.000 0.898 759 N CB 0.322 38.824 38.487 0.024 0.000 0.971 759 N HN 0.616 nan 8.380 nan 0.000 0.441 760 T N -4.210 110.308 114.554 -0.060 0.000 3.131 760 T HA 0.317 4.668 4.350 0.002 0.000 0.283 760 T C 0.310 174.647 174.700 -0.604 0.000 0.906 760 T CA -0.306 61.674 62.100 -0.199 0.000 0.882 760 T CB 0.921 69.723 68.868 -0.111 0.000 1.208 760 T HN -0.100 nan 8.240 nan 0.000 0.561 761 K N 0.046 120.062 120.400 -0.640 0.000 2.469 761 K HA 0.771 5.092 4.320 0.002 0.000 0.268 761 K C -1.958 174.274 176.600 -0.613 0.000 1.027 761 K CA -1.064 54.773 56.287 -0.749 0.000 0.893 761 K CB 2.887 35.069 32.500 -0.530 0.000 1.460 761 K HN -0.037 nan 8.250 nan 0.000 0.449 762 V N 2.432 122.003 119.914 -0.572 0.000 2.443 762 V HA 0.447 4.568 4.120 0.002 0.000 0.293 762 V C -1.594 174.075 176.094 -0.707 0.000 1.021 762 V CA -0.644 61.409 62.300 -0.412 0.000 0.848 762 V CB 0.454 32.022 31.823 -0.425 0.000 0.998 762 V HN 0.525 nan 8.190 nan 0.000 0.424 763 F N 7.218 126.834 119.950 -0.557 0.000 2.427 763 F HA 0.554 5.082 4.527 0.002 0.000 0.352 763 F C 0.239 175.940 175.800 -0.165 0.000 1.100 763 F CA -0.096 57.651 58.000 -0.421 0.000 1.191 763 F CB 0.587 39.325 39.000 -0.438 0.000 1.128 763 F HN 0.354 nan 8.300 nan 0.000 0.533 764 F N 2.289 122.441 119.950 0.337 0.000 2.594 764 F HA 0.511 5.039 4.527 0.002 0.000 0.335 764 F C 0.515 176.601 175.800 0.477 0.000 1.058 764 F CA -1.270 56.960 58.000 0.383 0.000 0.981 764 F CB 1.718 40.839 39.000 0.201 0.000 1.289 764 F HN 0.229 nan 8.300 nan 0.000 0.490 765 K N 0.453 121.212 120.400 0.597 0.000 2.502 765 K HA 0.654 4.975 4.320 0.002 0.000 0.252 765 K C -0.592 176.137 176.600 0.216 0.000 1.043 765 K CA -0.883 55.597 56.287 0.322 0.000 0.999 765 K CB 1.202 33.828 32.500 0.210 0.000 1.343 765 K HN 0.663 nan 8.250 nan 0.000 0.513 766 A N -0.081 122.824 122.820 0.142 0.000 2.540 766 A HA 0.331 4.652 4.320 0.002 0.000 0.239 766 A C 1.016 178.673 177.584 0.123 0.000 1.061 766 A CA 1.071 53.186 52.037 0.130 0.000 0.758 766 A CB -0.999 18.083 19.000 0.135 0.000 0.991 766 A HN 0.835 nan 8.150 nan 0.000 0.502 767 G N 1.339 110.171 108.800 0.053 0.000 2.200 767 G HA2 -0.272 3.688 3.960 0.002 0.000 0.267 767 G HA3 -0.272 3.688 3.960 0.002 0.000 0.267 767 G C 0.866 175.717 174.900 -0.081 0.000 0.993 767 G CA 0.763 45.843 45.100 -0.034 0.000 0.701 767 G HN 1.072 nan 8.290 nan 0.000 0.524 768 V N 0.802 120.666 119.914 -0.083 0.000 2.221 768 V HA -0.159 3.962 4.120 0.002 0.000 0.240 768 V C 2.926 178.861 176.094 -0.264 0.000 1.041 768 V CA 2.271 64.460 62.300 -0.185 0.000 0.991 768 V CB -0.797 30.832 31.823 -0.323 0.000 0.634 768 V HN 0.440 nan 8.190 nan 0.000 0.450 769 L N 0.663 121.735 121.223 -0.251 0.000 2.103 769 L HA -0.232 4.109 4.340 0.002 0.000 0.215 769 L C 2.592 179.399 176.870 -0.105 0.000 1.080 769 L CA 1.821 56.584 54.840 -0.129 0.000 0.764 769 L CB -1.398 40.766 42.059 0.176 0.000 0.890 769 L HN 0.562 nan 8.230 nan 0.000 0.435 770 G N -0.462 108.191 108.800 -0.246 0.000 2.469 770 G HA2 -0.337 3.623 3.960 0.002 0.000 0.219 770 G HA3 -0.337 3.623 3.960 0.002 0.000 0.219 770 G C 1.599 176.466 174.900 -0.054 0.000 1.150 770 G CA 1.106 46.040 45.100 -0.276 0.000 0.763 770 G HN 0.302 nan 8.290 nan 0.000 0.561 771 M N -0.122 119.439 119.600 -0.066 0.000 2.073 771 M HA 0.076 4.557 4.480 0.002 0.000 0.259 771 M C 2.618 178.874 176.300 -0.073 0.000 1.079 771 M CA 1.187 56.468 55.300 -0.032 0.000 1.131 771 M CB -0.299 32.271 32.600 -0.050 0.000 1.316 771 M HN 0.204 nan 8.290 nan 0.000 0.415 772 L N 0.198 121.303 121.223 -0.197 0.000 2.010 772 L HA -0.312 4.029 4.340 0.002 0.000 0.219 772 L C 2.433 179.263 176.870 -0.067 0.000 1.077 772 L CA 1.885 56.533 54.840 -0.320 0.000 0.773 772 L CB -1.125 40.419 42.059 -0.858 0.000 0.892 772 L HN 0.390 nan 8.230 nan 0.000 0.436 773 E N 0.374 120.612 120.200 0.063 0.000 2.033 773 E HA -0.294 4.057 4.350 0.002 0.000 0.199 773 E C 1.876 178.543 176.600 0.112 0.000 1.011 773 E CA 1.805 58.312 56.400 0.179 0.000 0.815 773 E CB -0.319 29.472 29.700 0.152 0.000 0.755 773 E HN 0.417 nan 8.360 nan 0.000 0.451 774 D N -0.742 119.714 120.400 0.094 0.000 2.263 774 D HA -0.167 4.474 4.640 0.002 0.000 0.208 774 D C 1.644 177.984 176.300 0.066 0.000 0.971 774 D CA 0.908 54.969 54.000 0.102 0.000 0.867 774 D CB 0.040 40.914 40.800 0.123 0.000 0.929 774 D HN 0.315 nan 8.370 nan 0.000 0.492 775 M N -0.368 119.258 119.600 0.043 0.000 2.447 775 M HA 0.023 4.504 4.480 0.002 0.000 0.264 775 M C 2.397 178.722 176.300 0.042 0.000 1.095 775 M CA 0.274 55.591 55.300 0.029 0.000 1.125 775 M CB 0.105 32.705 32.600 -0.001 0.000 1.389 775 M HN -0.094 nan 8.290 nan 0.000 0.459 776 R N 1.038 121.581 120.500 0.071 0.000 2.055 776 R HA -0.178 4.163 4.340 0.002 0.000 0.228 776 R C 1.935 178.254 176.300 0.032 0.000 1.143 776 R CA 2.079 58.219 56.100 0.066 0.000 0.945 776 R CB -0.347 30.012 30.300 0.097 0.000 0.841 776 R HN 0.149 nan 8.270 nan 0.000 0.429 777 D N 0.249 120.673 120.400 0.040 0.000 2.149 777 D HA -0.235 4.406 4.640 0.002 0.000 0.194 777 D C 1.680 177.997 176.300 0.028 0.000 1.001 777 D CA 1.723 55.742 54.000 0.033 0.000 0.849 777 D CB -0.082 40.754 40.800 0.060 0.000 0.939 777 D HN 0.322 nan 8.370 nan 0.000 0.449 778 E N -0.148 120.072 120.200 0.033 0.000 2.007 778 E HA -0.160 4.191 4.350 0.002 0.000 0.194 778 E C 2.149 178.760 176.600 0.018 0.000 0.999 778 E CA 1.105 57.520 56.400 0.026 0.000 0.811 778 E CB -0.115 29.601 29.700 0.026 0.000 0.762 778 E HN -0.048 nan 8.360 nan 0.000 0.450 779 R N 0.239 120.750 120.500 0.017 0.000 2.097 779 R HA -0.168 4.173 4.340 0.002 0.000 0.236 779 R C 2.500 178.802 176.300 0.003 0.000 1.135 779 R CA 1.448 57.555 56.100 0.011 0.000 0.934 779 R CB -1.408 28.899 30.300 0.012 0.000 0.846 779 R HN 0.353 nan 8.270 nan 0.000 0.431 780 L N 0.516 121.736 121.223 -0.005 0.000 1.991 780 L HA -0.284 4.057 4.340 0.002 0.000 0.221 780 L C 2.433 179.298 176.870 -0.009 0.000 1.079 780 L CA 2.475 57.304 54.840 -0.018 0.000 0.778 780 L CB -1.078 40.965 42.059 -0.026 0.000 0.893 780 L HN 0.186 nan 8.230 nan 0.000 0.437 781 S N -1.163 114.538 115.700 0.001 0.000 2.359 781 S HA -0.316 4.155 4.470 0.002 0.000 0.223 781 S C 2.055 176.663 174.600 0.014 0.000 1.039 781 S CA 1.941 60.146 58.200 0.008 0.000 1.042 781 S CB -0.354 62.853 63.200 0.011 0.000 0.915 781 S HN 0.471 nan 8.310 nan 0.000 0.439 782 K N 0.687 121.096 120.400 0.016 0.000 1.988 782 K HA -0.136 4.185 4.320 0.002 0.000 0.221 782 K C 1.926 178.541 176.600 0.027 0.000 1.053 782 K CA 2.217 58.517 56.287 0.022 0.000 0.959 782 K CB -0.546 31.966 32.500 0.020 0.000 0.728 782 K HN 0.405 nan 8.250 nan 0.000 0.447 783 I N 0.995 121.575 120.570 0.016 0.000 2.576 783 I HA -0.308 3.862 4.170 0.002 0.000 0.263 783 I C 2.099 178.232 176.117 0.028 0.000 1.183 783 I CA 1.163 62.471 61.300 0.013 0.000 1.432 783 I CB -0.271 37.722 38.000 -0.012 0.000 1.100 783 I HN 0.360 nan 8.210 nan 0.000 0.452 784 I N -0.552 120.035 120.570 0.027 0.000 2.585 784 I HA -0.158 4.013 4.170 0.002 0.000 0.254 784 I C 2.457 178.627 176.117 0.089 0.000 1.129 784 I CA 0.670 61.999 61.300 0.048 0.000 1.455 784 I CB -0.070 37.943 38.000 0.021 0.000 1.111 784 I HN 0.076 nan 8.210 nan 0.000 0.433 785 S N 0.935 116.673 115.700 0.064 0.000 2.400 785 S HA -0.164 4.307 4.470 0.002 0.000 0.232 785 S C 1.989 176.642 174.600 0.089 0.000 1.025 785 S CA 1.378 59.617 58.200 0.065 0.000 0.993 785 S CB -0.155 63.073 63.200 0.046 0.000 0.808 785 S HN 0.344 nan 8.310 nan 0.000 0.478 786 M N -0.184 119.476 119.600 0.100 0.000 2.064 786 M HA -0.039 4.442 4.480 0.002 0.000 0.260 786 M C 2.015 178.415 176.300 0.167 0.000 1.073 786 M CA 1.441 56.818 55.300 0.128 0.000 1.124 786 M CB -0.791 31.862 32.600 0.088 0.000 1.326 786 M HN 0.272 nan 8.290 nan 0.000 0.410 787 F N 1.957 121.889 119.950 -0.029 0.000 2.115 787 F HA -0.295 4.233 4.527 0.002 0.000 0.300 787 F C 2.497 178.320 175.800 0.038 0.000 1.092 787 F CA 1.932 59.907 58.000 -0.043 0.000 1.245 787 F CB -0.502 38.464 39.000 -0.056 0.000 0.995 787 F HN 0.217 nan 8.300 nan 0.000 0.481 788 Q N -0.204 119.686 119.800 0.150 0.000 2.096 788 Q HA -0.228 4.112 4.340 0.002 0.000 0.204 788 Q C 2.505 178.514 176.000 0.014 0.000 0.982 788 Q CA 1.660 57.495 55.803 0.054 0.000 0.850 788 Q CB -0.658 28.126 28.738 0.077 0.000 0.901 788 Q HN 0.534 nan 8.270 nan 0.000 0.422 789 A N 0.953 123.814 122.820 0.068 0.000 1.883 789 A HA -0.243 4.078 4.320 0.002 0.000 0.217 789 A C 1.627 179.234 177.584 0.038 0.000 1.186 789 A CA 1.923 53.999 52.037 0.064 0.000 0.624 789 A CB -0.863 18.202 19.000 0.109 0.000 0.822 789 A HN 0.366 nan 8.150 nan 0.000 0.444 790 H N -0.495 118.507 119.070 -0.113 0.000 2.489 790 H HA 0.049 4.606 4.556 0.002 0.000 0.293 790 H C 1.795 177.008 175.328 -0.191 0.000 1.066 790 H CA 1.266 57.228 56.048 -0.144 0.000 1.305 790 H CB -0.214 29.432 29.762 -0.195 0.000 1.386 790 H HN 0.494 nan 8.280 nan 0.000 0.551 791 I N -0.210 120.273 120.570 -0.145 0.000 2.233 791 I HA -0.200 3.971 4.170 0.002 0.000 0.243 791 I C 2.141 178.228 176.117 -0.051 0.000 1.093 791 I CA 0.969 62.163 61.300 -0.176 0.000 1.380 791 I CB -0.137 37.736 38.000 -0.211 0.000 1.067 791 I HN 0.134 nan 8.210 nan 0.000 0.413 792 R N 0.736 121.215 120.500 -0.036 0.000 2.120 792 R HA -0.095 4.246 4.340 0.002 0.000 0.234 792 R C 2.369 178.665 176.300 -0.008 0.000 1.123 792 R CA 1.317 57.409 56.100 -0.013 0.000 0.975 792 R CB -0.603 29.687 30.300 -0.017 0.000 0.866 792 R HN 0.429 nan 8.270 nan 0.000 0.446 793 G N -0.437 108.344 108.800 -0.031 0.000 2.422 793 G HA2 -0.311 3.650 3.960 0.002 0.000 0.218 793 G HA3 -0.311 3.650 3.960 0.002 0.000 0.218 793 G C 1.217 176.128 174.900 0.018 0.000 1.146 793 G CA 0.571 45.641 45.100 -0.050 0.000 0.769 793 G HN 0.389 nan 8.290 nan 0.000 0.547 794 Y N 0.513 120.763 120.300 -0.084 0.000 2.231 794 Y HA 0.175 4.726 4.550 0.001 0.000 0.294 794 Y C 2.645 178.521 175.900 -0.039 0.000 1.120 794 Y CA 0.623 58.690 58.100 -0.056 0.000 1.141 794 Y CB -0.044 38.380 38.460 -0.061 0.000 1.022 794 Y HN 0.030 nan 8.280 nan 0.000 0.523 795 L N -0.340 121.030 121.223 0.246 0.000 2.013 795 L HA -0.285 4.056 4.340 0.002 0.000 0.212 795 L C 2.421 179.336 176.870 0.075 0.000 1.073 795 L CA 1.939 56.873 54.840 0.156 0.000 0.753 795 L CB -0.487 41.617 42.059 0.075 0.000 0.890 795 L HN 0.431 nan 8.230 nan 0.000 0.432 796 M N -0.300 119.319 119.600 0.033 0.000 2.191 796 M HA -0.108 4.373 4.480 0.002 0.000 0.262 796 M C 2.250 178.548 176.300 -0.003 0.000 1.083 796 M CA 1.574 56.876 55.300 0.004 0.000 1.154 796 M CB -0.515 32.069 32.600 -0.027 0.000 1.344 796 M HN -0.110 nan 8.290 nan 0.000 0.431 797 R N -0.061 120.420 120.500 -0.032 0.000 2.226 797 R HA -0.216 4.125 4.340 0.002 0.000 0.246 797 R C 2.139 178.435 176.300 -0.008 0.000 1.161 797 R CA 1.707 57.788 56.100 -0.031 0.000 0.997 797 R CB -0.226 30.031 30.300 -0.072 0.000 0.870 797 R HN 0.476 nan 8.270 nan 0.000 0.465 798 K N -0.762 119.608 120.400 -0.050 0.000 2.167 798 K HA -0.006 4.315 4.320 0.002 0.000 0.203 798 K C 1.787 178.392 176.600 0.009 0.000 1.052 798 K CA 0.985 57.232 56.287 -0.067 0.000 0.956 798 K CB 0.040 32.495 32.500 -0.075 0.000 0.735 798 K HN 0.184 nan 8.250 nan 0.000 0.451 799 A N 0.529 123.373 122.820 0.040 0.000 1.969 799 A HA -0.172 4.149 4.320 0.002 0.000 0.218 799 A C 1.851 179.498 177.584 0.105 0.000 1.169 799 A CA 0.989 53.059 52.037 0.055 0.000 0.635 799 A CB -0.820 18.210 19.000 0.051 0.000 0.810 799 A HN 0.487 nan 8.150 nan 0.000 0.445 800 Y N 1.013 121.288 120.300 -0.041 0.000 2.003 800 Y HA -0.372 4.179 4.550 0.001 0.000 0.261 800 Y C 2.325 178.202 175.900 -0.037 0.000 1.211 800 Y CA 2.341 60.418 58.100 -0.039 0.000 1.098 800 Y CB -0.790 37.641 38.460 -0.048 0.000 0.925 800 Y HN 0.416 nan 8.280 nan 0.000 0.498 801 K N 0.244 120.611 120.400 -0.055 0.000 2.020 801 K HA -0.302 4.019 4.320 0.002 0.000 0.212 801 K C 2.396 178.935 176.600 -0.101 0.000 1.050 801 K CA 2.240 58.432 56.287 -0.158 0.000 0.929 801 K CB -0.350 32.088 32.500 -0.102 0.000 0.714 801 K HN 0.351 nan 8.250 nan 0.000 0.443 802 K N 0.778 121.155 120.400 -0.038 0.000 1.987 802 K HA -0.184 4.137 4.320 0.002 0.000 0.216 802 K C 2.157 178.742 176.600 -0.024 0.000 1.051 802 K CA 1.979 58.251 56.287 -0.025 0.000 0.942 802 K CB -0.309 32.190 32.500 -0.002 0.000 0.722 802 K HN 0.173 nan 8.250 nan 0.000 0.444 803 L N 0.886 122.113 121.223 0.006 0.000 2.151 803 L HA -0.314 4.027 4.340 0.002 0.000 0.215 803 L C 2.726 179.584 176.870 -0.020 0.000 1.084 803 L CA 1.561 56.412 54.840 0.018 0.000 0.764 803 L CB -0.574 41.534 42.059 0.083 0.000 0.891 803 L HN 0.434 nan 8.230 nan 0.000 0.435 804 Q N -0.275 119.474 119.800 -0.085 0.000 1.965 804 Q HA -0.193 4.148 4.340 0.002 0.000 0.200 804 Q C 1.897 177.847 176.000 -0.083 0.000 0.981 804 Q CA 1.564 57.290 55.803 -0.128 0.000 0.834 804 Q CB -0.282 28.302 28.738 -0.258 0.000 0.900 804 Q HN 0.509 nan 8.270 nan 0.000 0.426 805 D N 1.273 121.625 120.400 -0.080 0.000 2.160 805 D HA -0.219 4.422 4.640 0.002 0.000 0.189 805 D C 1.814 178.090 176.300 -0.039 0.000 1.003 805 D CA 1.509 55.476 54.000 -0.056 0.000 0.846 805 D CB -0.341 40.430 40.800 -0.047 0.000 0.949 805 D HN 0.373 nan 8.370 nan 0.000 0.446 806 Q N 0.069 119.851 119.800 -0.030 0.000 2.561 806 Q HA -0.091 4.250 4.340 0.002 0.000 0.217 806 Q C 2.054 178.044 176.000 -0.017 0.000 0.980 806 Q CA 0.301 56.092 55.803 -0.020 0.000 0.927 806 Q CB 0.065 28.796 28.738 -0.012 0.000 0.980 806 Q HN 0.270 nan 8.270 nan 0.000 0.525 807 R N 0.660 121.147 120.500 -0.022 0.000 2.055 807 R HA -0.098 4.242 4.340 0.002 0.000 0.226 807 R C 1.889 178.178 176.300 -0.019 0.000 1.135 807 R CA 0.726 56.816 56.100 -0.017 0.000 0.959 807 R CB -0.025 30.263 30.300 -0.020 0.000 0.854 807 R HN 0.101 nan 8.270 nan 0.000 0.431 808 I N 0.987 121.542 120.570 -0.026 0.000 2.143 808 I HA -0.274 3.897 4.170 0.002 0.000 0.245 808 I C 2.378 178.483 176.117 -0.020 0.000 1.068 808 I CA 2.150 63.435 61.300 -0.025 0.000 1.326 808 I CB -0.990 36.993 38.000 -0.029 0.000 1.028 808 I HN 0.431 nan 8.210 nan 0.000 0.412 809 G N -0.199 108.589 108.800 -0.020 0.000 2.453 809 G HA2 -0.243 3.718 3.960 0.002 0.000 0.215 809 G HA3 -0.243 3.718 3.960 0.002 0.000 0.215 809 G C 1.662 176.552 174.900 -0.016 0.000 1.201 809 G CA 0.796 45.885 45.100 -0.018 0.000 0.784 809 G HN 0.343 nan 8.290 nan 0.000 0.545 810 L N 1.115 122.330 121.223 -0.014 0.000 2.127 810 L HA -0.040 4.301 4.340 0.002 0.000 0.211 810 L C 2.919 179.782 176.870 -0.011 0.000 1.089 810 L CA 2.351 57.184 54.840 -0.011 0.000 0.757 810 L CB -0.761 41.293 42.059 -0.008 0.000 0.899 810 L HN 0.232 nan 8.230 nan 0.000 0.434 811 T N -0.431 114.116 114.554 -0.012 0.000 2.612 811 T HA -0.159 4.192 4.350 0.002 0.000 0.259 811 T C 1.910 176.603 174.700 -0.012 0.000 1.065 811 T CA 1.622 63.716 62.100 -0.011 0.000 1.167 811 T CB -0.465 68.395 68.868 -0.012 0.000 0.863 811 T HN 0.272 nan 8.240 nan 0.000 0.407 812 L N 0.399 121.614 121.223 -0.013 0.000 2.011 812 L HA -0.236 4.105 4.340 0.002 0.000 0.225 812 L C 2.442 179.303 176.870 -0.015 0.000 1.084 812 L CA 1.568 56.400 54.840 -0.013 0.000 0.791 812 L CB -0.978 41.073 42.059 -0.014 0.000 0.898 812 L HN 0.284 nan 8.230 nan 0.000 0.440 813 I N -0.897 119.662 120.570 -0.019 0.000 2.070 813 I HA -0.337 3.834 4.170 0.002 0.000 0.224 813 I C 2.603 178.711 176.117 -0.014 0.000 1.049 813 I CA 1.285 62.571 61.300 -0.024 0.000 1.334 813 I CB -0.640 37.343 38.000 -0.027 0.000 1.095 813 I HN 0.280 nan 8.210 nan 0.000 0.391 814 Q N 0.056 119.851 119.800 -0.009 0.000 2.293 814 Q HA -0.350 3.991 4.340 0.002 0.000 0.218 814 Q C 2.169 178.172 176.000 0.004 0.000 1.015 814 Q CA 2.694 58.496 55.803 -0.000 0.000 0.941 814 Q CB -0.469 28.268 28.738 -0.002 0.000 0.979 814 Q HN 0.591 nan 8.270 nan 0.000 0.416 815 R N -1.023 119.476 120.500 -0.002 0.000 2.175 815 R HA 0.081 4.422 4.340 0.002 0.000 0.202 815 R C 1.560 177.861 176.300 0.002 0.000 1.018 815 R CA 0.709 56.807 56.100 -0.003 0.000 1.029 815 R CB -0.075 30.219 30.300 -0.010 0.000 0.959 815 R HN 0.098 nan 8.270 nan 0.000 0.480 816 N N 1.013 119.714 118.700 0.002 0.000 2.396 816 N HA -0.060 4.681 4.740 0.002 0.000 0.180 816 N C 1.686 177.220 175.510 0.040 0.000 1.028 816 N CA 1.055 54.111 53.050 0.009 0.000 0.893 816 N CB 0.225 38.709 38.487 -0.005 0.000 0.967 816 N HN 0.087 nan 8.380 nan 0.000 0.440 817 V N 1.449 121.387 119.914 0.039 0.000 2.379 817 V HA -0.114 4.007 4.120 0.002 0.000 0.245 817 V C 2.304 178.520 176.094 0.204 0.000 1.044 817 V CA 1.254 63.615 62.300 0.100 0.000 1.036 817 V CB -0.247 31.605 31.823 0.049 0.000 0.664 817 V HN 0.223 nan 8.190 nan 0.000 0.453 818 R N 0.153 120.711 120.500 0.096 0.000 2.061 818 R HA -0.152 4.189 4.340 0.002 0.000 0.230 818 R C 2.407 178.714 176.300 0.011 0.000 1.140 818 R CA 1.321 57.452 56.100 0.052 0.000 0.940 818 R CB -0.430 29.876 30.300 0.009 0.000 0.839 818 R HN 0.191 nan 8.270 nan 0.000 0.429 819 K N 0.139 120.529 120.400 -0.017 0.000 2.286 819 K HA -0.198 4.123 4.320 0.002 0.000 0.203 819 K C 1.458 177.975 176.600 -0.139 0.000 1.045 819 K CA 1.148 57.372 56.287 -0.104 0.000 0.935 819 K CB -0.368 32.068 32.500 -0.105 0.000 0.737 819 K HN 0.301 nan 8.250 nan 0.000 0.460 820 W N 0.153 121.328 121.300 -0.207 0.000 2.443 820 W HA -0.018 4.642 4.660 0.000 0.000 0.296 820 W C 1.222 177.643 176.519 -0.163 0.000 1.202 820 W CA 0.956 58.174 57.345 -0.212 0.000 1.312 820 W CB -0.125 29.286 29.460 -0.081 0.000 1.120 820 W HN -0.048 nan 8.180 nan 0.000 0.536 821 L N -0.042 121.124 121.223 -0.096 0.000 2.191 821 L HA -0.205 4.136 4.340 0.002 0.000 0.212 821 L C 2.137 178.833 176.870 -0.291 0.000 1.103 821 L CA 0.940 55.615 54.840 -0.275 0.000 0.769 821 L CB -1.138 40.886 42.059 -0.058 0.000 0.908 821 L HN -0.102 nan 8.230 nan 0.000 0.438 822 V N 0.231 119.996 119.914 -0.249 0.000 2.323 822 V HA -0.241 3.880 4.120 0.002 0.000 0.244 822 V C 2.320 178.251 176.094 -0.271 0.000 1.041 822 V CA 1.414 63.574 62.300 -0.233 0.000 1.025 822 V CB -0.149 31.524 31.823 -0.249 0.000 0.656 822 V HN 0.352 nan 8.190 nan 0.000 0.451 823 L N 0.427 121.382 121.223 -0.447 0.000 2.291 823 L HA -0.111 4.229 4.340 0.002 0.000 0.214 823 L C 2.603 179.317 176.870 -0.260 0.000 1.120 823 L CA 1.234 55.755 54.840 -0.533 0.000 0.799 823 L CB -0.731 40.483 42.059 -1.409 0.000 0.925 823 L HN 0.434 nan 8.230 nan 0.000 0.446 824 R N -0.024 120.227 120.500 -0.416 0.000 2.303 824 R HA -0.093 4.248 4.340 0.002 0.000 0.225 824 R C 0.944 177.225 176.300 -0.031 0.000 1.114 824 R CA 1.312 57.262 56.100 -0.250 0.000 1.007 824 R CB -0.453 29.444 30.300 -0.672 0.000 0.861 824 R HN 0.402 nan 8.270 nan 0.000 0.471 825 N N -0.657 118.047 118.700 0.008 0.000 2.159 825 N HA -0.036 4.705 4.740 0.002 0.000 0.217 825 N C -0.910 174.721 175.510 0.202 0.000 1.223 825 N CA -0.139 52.953 53.050 0.071 0.000 0.896 825 N CB 0.326 38.824 38.487 0.018 0.000 1.064 825 N HN 0.319 nan 8.380 nan 0.000 0.518 826 W N 3.409 124.743 121.300 0.058 0.000 2.290 826 W HA 0.082 4.743 4.660 0.001 0.000 0.408 826 W C 0.268 176.897 176.519 0.184 0.000 0.966 826 W CA -0.217 57.211 57.345 0.138 0.000 1.579 826 W CB 0.510 30.079 29.460 0.182 0.000 1.662 826 W HN -0.004 nan 8.180 nan 0.000 0.341 827 E N 3.162 123.296 120.200 -0.111 0.000 2.332 827 E HA -0.330 4.021 4.350 0.002 0.000 0.243 827 E C 1.388 177.849 176.600 -0.232 0.000 1.088 827 E CA 3.359 59.581 56.400 -0.297 0.000 1.048 827 E CB -0.972 28.370 29.700 -0.597 0.000 0.911 827 E HN 0.731 nan 8.360 nan 0.000 0.487 828 W N 0.075 121.181 121.300 -0.324 0.000 2.315 828 W HA -0.223 4.437 4.660 0.001 0.000 0.323 828 W C 2.456 179.134 176.519 0.266 0.000 1.233 828 W CA 1.318 58.631 57.345 -0.054 0.000 1.267 828 W CB -1.124 28.281 29.460 -0.091 0.000 1.160 828 W HN 0.282 nan 8.180 nan 0.000 0.474 829 W N 1.828 123.483 121.300 0.591 0.000 2.277 829 W HA -0.406 4.255 4.660 0.002 0.000 0.327 829 W C 2.102 178.645 176.519 0.041 0.000 1.284 829 W CA 2.407 59.979 57.345 0.378 0.000 1.277 829 W CB -0.566 29.109 29.460 0.360 0.000 1.141 829 W HN 0.002 nan 8.180 nan 0.000 0.482 830 R N -0.146 120.380 120.500 0.043 0.000 2.096 830 R HA -0.219 4.122 4.340 0.002 0.000 0.240 830 R C 2.409 178.586 176.300 -0.205 0.000 1.139 830 R CA 2.012 58.015 56.100 -0.161 0.000 0.952 830 R CB -1.086 29.185 30.300 -0.048 0.000 0.854 830 R HN 0.325 nan 8.270 nan 0.000 0.436 831 L N 0.366 121.555 121.223 -0.058 0.000 1.944 831 L HA -0.226 4.115 4.340 0.002 0.000 0.218 831 L C 2.348 179.228 176.870 0.016 0.000 1.075 831 L CA 1.734 56.581 54.840 0.010 0.000 0.767 831 L CB -0.691 41.454 42.059 0.143 0.000 0.890 831 L HN 0.254 nan 8.230 nan 0.000 0.434 832 F N -0.688 119.263 119.950 0.002 0.000 2.802 832 F HA 0.012 4.540 4.527 0.002 0.000 0.302 832 F C 1.339 177.059 175.800 -0.133 0.000 1.211 832 F CA 0.496 58.477 58.000 -0.032 0.000 1.431 832 F CB -1.188 37.825 39.000 0.022 0.000 1.114 832 F HN 0.105 nan 8.300 nan 0.000 0.567 833 N N -0.176 118.180 118.700 -0.572 0.000 2.236 833 N HA 0.042 4.783 4.740 0.002 0.000 0.196 833 N C 1.362 176.711 175.510 -0.268 0.000 1.114 833 N CA -0.132 52.565 53.050 -0.587 0.000 0.859 833 N CB 0.230 38.256 38.487 -0.768 0.000 0.982 833 N HN 0.188 nan 8.380 nan 0.000 0.493 834 K N -0.154 120.150 120.400 -0.161 0.000 2.494 834 K HA 0.178 4.499 4.320 0.002 0.000 0.201 834 K C 1.619 178.203 176.600 -0.027 0.000 1.338 834 K CA 0.356 56.595 56.287 -0.081 0.000 0.935 834 K CB -0.187 32.272 32.500 -0.069 0.000 1.514 834 K HN -0.139 nan 8.250 nan 0.000 0.490 835 V N 2.610 122.531 119.914 0.012 0.000 2.794 835 V HA -0.225 3.896 4.120 0.002 0.000 0.260 835 V C 2.116 178.243 176.094 0.055 0.000 1.103 835 V CA 1.799 64.129 62.300 0.050 0.000 1.125 835 V CB -0.424 31.459 31.823 0.100 0.000 0.702 835 V HN 0.278 nan 8.190 nan 0.000 0.494 836 K N -0.266 120.167 120.400 0.055 0.000 2.214 836 K HA 0.066 4.387 4.320 0.002 0.000 0.201 836 K C -0.515 176.100 176.600 0.026 0.000 1.049 836 K CA 0.478 56.799 56.287 0.057 0.000 0.978 836 K CB -0.561 31.999 32.500 0.099 0.000 0.842 836 K HN 0.411 nan 8.250 nan 0.000 0.474 837 P HA -0.118 nan 4.420 nan 0.000 0.236 837 P C -0.055 177.246 177.300 0.002 0.000 1.172 837 P CA 1.080 64.179 63.100 -0.001 0.000 0.759 837 P CB 0.017 31.706 31.700 -0.017 0.000 0.843 838 L N -0.569 120.659 121.223 0.007 0.000 3.100 838 L HA 0.311 4.652 4.340 0.002 0.000 0.259 838 L C 0.724 177.602 176.870 0.014 0.000 1.316 838 L CA -0.375 54.469 54.840 0.008 0.000 0.992 838 L CB 0.188 42.250 42.059 0.004 0.000 1.390 838 L HN -0.111 nan 8.230 nan 0.000 0.550 839 L N 0.000 121.233 121.223 0.017 0.000 2.949 839 L HA 0.000 4.341 4.340 0.002 0.000 0.249 839 L CA 0.000 54.851 54.840 0.019 0.000 0.813 839 L CB 0.000 42.073 42.059 0.024 0.000 0.961 839 L HN 0.000 nan 8.230 nan 0.000 0.502