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 1o98_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKKPVALIIL DGFALRDETY GNAVAQANKP NFDRYWNEYP HTTLKACGEA DATA SEQUENCE VGLPEGQMGN SEVGHLNIGA GRIVYQSLTR INIAIREGEF DRNETFLAAM DATA SEQUENCE NHVKQHGTSL HLFGLLSDGG VHSHIHHLYA LLRLAAKEGV KRVYIHGFLD DATA SEQUENCE GRDVGPQTAP QYIKELQEKI KEYGVGEIAT LSGRYYSMDR DKRWDRVEKA DATA SEQUENCE YRAMVYGEGP TYRDPLECIE DSYKHGIYDE FVLPSVIVRE DGRPVATIQD DATA SEQUENCE NDAIIFYNFR PDRAIQISNT FTNEDFREFD RGPKHPKHLF FVCLTHFSET DATA SEQUENCE VAGYVAFKPT NLDNTIGEVL SQHGLRQLRI AETEKYPHVT FFMSGGREEE DATA SEQUENCE FPGEDRILIN SPKVPTYDLK PEMSAYEVTD ALLKEIEADK YDAIILNYAN DATA SEQUENCE PDMVGHSGKL EPTIKAVEAV DECLGKVVDA ILAKGGIAII TADHGNADEV DATA SEQUENCE LTPDGKPQTA HTTNPVPVIV TKKGIKLRDG GILGDLAPTM LDLLGLPQPK DATA SEQUENCE EMTGKSLIV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.594 174.600 -0.010 0.000 1.055 2 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 2 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 3 K N 1.718 122.111 120.400 -0.012 0.000 2.295 3 K HA 0.378 4.697 4.320 -0.000 0.000 0.270 3 K C -0.774 175.824 176.600 -0.003 0.000 1.011 3 K CA 0.053 56.335 56.287 -0.009 0.000 0.953 3 K CB 0.289 32.783 32.500 -0.009 0.000 0.956 3 K HN 0.277 nan 8.250 nan 0.000 0.477 4 K N 3.802 124.199 120.400 -0.005 0.000 2.432 4 K HA 0.201 4.521 4.320 -0.000 0.000 0.226 4 K C -2.350 174.245 176.600 -0.009 0.000 1.057 4 K CA -1.664 54.618 56.287 -0.009 0.000 1.034 4 K CB 0.774 33.265 32.500 -0.014 0.000 1.561 4 K HN 0.436 nan 8.250 nan 0.000 0.492 5 P HA 0.002 nan 4.420 nan 0.000 0.269 5 P C -0.334 176.955 177.300 -0.018 0.000 1.209 5 P CA -0.238 62.867 63.100 0.007 0.000 0.776 5 P CB 1.078 32.797 31.700 0.031 0.000 0.876 6 V N 2.590 122.492 119.914 -0.019 0.000 2.357 6 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 6 V C 0.437 176.508 176.094 -0.039 0.000 1.018 6 V CA -0.598 61.678 62.300 -0.041 0.000 0.841 6 V CB 1.052 32.850 31.823 -0.042 0.000 0.991 6 V HN 0.777 nan 8.190 nan 0.000 0.437 7 A N 5.504 128.291 122.820 -0.056 0.000 2.303 7 A HA 0.801 5.121 4.320 -0.000 0.000 0.320 7 A C -0.957 176.589 177.584 -0.063 0.000 1.192 7 A CA -0.536 51.468 52.037 -0.056 0.000 0.821 7 A CB 1.082 20.049 19.000 -0.056 0.000 1.188 7 A HN 0.786 nan 8.150 nan 0.000 0.492 8 L N 4.236 125.427 121.223 -0.053 0.000 2.257 8 L HA 0.594 4.933 4.340 -0.000 0.000 0.290 8 L C -0.828 176.013 176.870 -0.049 0.000 1.044 8 L CA -0.056 54.755 54.840 -0.049 0.000 0.810 8 L CB 0.221 42.257 42.059 -0.038 0.000 1.193 8 L HN 0.557 nan 8.230 nan 0.000 0.425 9 I N 6.799 127.344 120.570 -0.042 0.000 2.355 9 I HA 0.350 4.520 4.170 -0.000 0.000 0.288 9 I C -0.501 175.607 176.117 -0.014 0.000 0.999 9 I CA -0.398 60.886 61.300 -0.028 0.000 1.163 9 I CB 1.323 39.328 38.000 0.007 0.000 1.316 9 I HN 0.492 nan 8.210 nan 0.000 0.454 10 I N 7.191 127.750 120.570 -0.018 0.000 2.312 10 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 10 I C -0.214 175.915 176.117 0.019 0.000 1.008 10 I CA -0.446 60.841 61.300 -0.021 0.000 1.226 10 I CB 1.026 39.004 38.000 -0.037 0.000 1.371 10 I HN 0.355 nan 8.210 nan 0.000 0.468 11 L N 5.936 127.145 121.223 -0.023 0.000 2.302 11 L HA 0.245 4.585 4.340 -0.000 0.000 0.285 11 L C 0.372 177.232 176.870 -0.016 0.000 1.090 11 L CA -0.335 54.490 54.840 -0.024 0.000 0.866 11 L CB -0.014 41.870 42.059 -0.291 0.000 1.244 11 L HN 0.571 nan 8.230 nan 0.000 0.435 12 D N 3.344 123.753 120.400 0.015 0.000 2.450 12 D HA 0.049 4.689 4.640 -0.000 0.000 0.247 12 D C 1.145 177.369 176.300 -0.127 0.000 1.162 12 D CA 1.251 55.212 54.000 -0.065 0.000 0.879 12 D CB 1.163 41.977 40.800 0.024 0.000 1.163 12 D HN 0.829 nan 8.370 nan 0.000 0.472 13 G N 3.731 112.283 108.800 -0.414 0.000 2.176 13 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.252 13 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.252 13 G C 0.023 174.851 174.900 -0.121 0.000 1.024 13 G CA 0.010 44.903 45.100 -0.345 0.000 0.755 13 G HN 0.482 nan 8.290 nan 0.000 0.507 14 F N 1.455 121.256 119.950 -0.249 0.000 2.347 14 F HA 0.733 5.260 4.527 -0.000 0.000 0.366 14 F C 0.204 175.897 175.800 -0.180 0.000 1.107 14 F CA -0.562 57.316 58.000 -0.203 0.000 1.058 14 F CB 0.825 39.703 39.000 -0.202 0.000 1.236 14 F HN 0.473 nan 8.300 nan 0.000 0.456 15 A N 5.865 128.589 122.820 -0.160 0.000 2.435 15 A HA 0.819 5.139 4.320 -0.000 0.000 0.296 15 A C -1.569 175.896 177.584 -0.198 0.000 1.147 15 A CA -0.874 51.117 52.037 -0.078 0.000 0.775 15 A CB 1.340 20.311 19.000 -0.047 0.000 1.340 15 A HN 0.684 nan 8.150 nan 0.000 0.427 16 L N 1.159 122.328 121.223 -0.089 0.000 2.264 16 L HA 0.625 4.965 4.340 -0.000 0.000 0.289 16 L C 0.338 177.156 176.870 -0.086 0.000 1.044 16 L CA -0.265 54.503 54.840 -0.120 0.000 0.807 16 L CB 0.954 42.980 42.059 -0.056 0.000 1.192 16 L HN 0.782 nan 8.230 nan 0.000 0.425 17 R N 2.258 122.689 120.500 -0.115 0.000 2.538 17 R HA 0.214 4.554 4.340 -0.000 0.000 0.292 17 R C -0.277 175.984 176.300 -0.066 0.000 1.008 17 R CA -0.604 55.454 56.100 -0.071 0.000 0.896 17 R CB 1.851 32.106 30.300 -0.075 0.000 1.187 17 R HN 0.590 nan 8.270 nan 0.000 0.440 18 D N 1.574 121.953 120.400 -0.034 0.000 2.117 18 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 18 D C 0.140 176.427 176.300 -0.021 0.000 0.987 18 D CA 1.378 55.363 54.000 -0.025 0.000 0.829 18 D CB 0.239 41.036 40.800 -0.005 0.000 0.961 18 D HN 0.481 nan 8.370 nan 0.000 0.460 19 E N 0.663 120.857 120.200 -0.011 0.000 2.417 19 E HA -0.011 4.339 4.350 -0.000 0.000 0.261 19 E C 0.894 177.496 176.600 0.004 0.000 1.000 19 E CA 0.220 56.624 56.400 0.008 0.000 0.919 19 E CB 0.785 30.497 29.700 0.020 0.000 0.955 19 E HN 0.098 nan 8.360 nan 0.000 0.455 20 T N 1.888 116.454 114.554 0.019 0.000 3.044 20 T HA 0.013 4.363 4.350 -0.000 0.000 0.250 20 T C 0.603 175.315 174.700 0.019 0.000 1.081 20 T CA -0.196 61.901 62.100 -0.005 0.000 1.040 20 T CB -0.385 68.471 68.868 -0.019 0.000 0.962 20 T HN 0.456 nan 8.240 nan 0.000 0.506 21 Y N 2.836 123.110 120.300 -0.044 0.000 2.569 21 Y HA 0.386 4.936 4.550 -0.000 0.000 0.332 21 Y C 1.436 177.311 175.900 -0.042 0.000 1.120 21 Y CA 0.480 58.558 58.100 -0.038 0.000 1.416 21 Y CB -0.204 38.239 38.460 -0.029 0.000 1.210 21 Y HN 0.434 nan 8.280 nan 0.000 0.528 22 G N 4.213 112.793 108.800 -0.367 0.000 2.168 22 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.257 22 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.257 22 G C 0.007 174.840 174.900 -0.111 0.000 0.997 22 G CA 0.293 45.263 45.100 -0.216 0.000 0.708 22 G HN 0.757 nan 8.290 nan 0.000 0.520 23 N N 0.570 119.202 118.700 -0.113 0.000 2.558 23 N HA 0.588 5.328 4.740 -0.000 0.000 0.233 23 N C 1.376 176.793 175.510 -0.154 0.000 1.038 23 N CA 0.487 53.463 53.050 -0.123 0.000 0.934 23 N CB 0.741 39.162 38.487 -0.110 0.000 1.175 23 N HN 0.372 nan 8.380 nan 0.000 0.512 24 A N 3.166 125.891 122.820 -0.158 0.000 2.015 24 A HA -0.059 4.260 4.320 -0.000 0.000 0.219 24 A C 1.951 179.410 177.584 -0.208 0.000 1.163 24 A CA 1.057 53.001 52.037 -0.155 0.000 0.646 24 A CB -0.192 18.734 19.000 -0.124 0.000 0.806 24 A HN 0.465 nan 8.150 nan 0.000 0.448 25 V N -0.230 119.496 119.914 -0.313 0.000 2.307 25 V HA -0.234 3.885 4.120 -0.000 0.000 0.245 25 V C 3.053 178.929 176.094 -0.363 0.000 1.045 25 V CA 1.986 63.987 62.300 -0.498 0.000 1.024 25 V CB -1.157 30.162 31.823 -0.841 0.000 0.651 25 V HN 0.595 nan 8.190 nan 0.000 0.449 26 A N -0.966 121.685 122.820 -0.282 0.000 1.898 26 A HA -0.240 4.079 4.320 -0.000 0.000 0.216 26 A C 2.145 179.646 177.584 -0.138 0.000 1.181 26 A CA 1.666 53.585 52.037 -0.196 0.000 0.620 26 A CB -0.425 18.481 19.000 -0.156 0.000 0.819 26 A HN 0.628 nan 8.150 nan 0.000 0.442 27 Q N -0.388 119.333 119.800 -0.131 0.000 2.311 27 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 27 Q C 0.980 176.930 176.000 -0.084 0.000 0.954 27 Q CA 0.287 56.031 55.803 -0.098 0.000 0.885 27 Q CB -0.281 28.396 28.738 -0.102 0.000 0.963 27 Q HN 0.640 nan 8.270 nan 0.000 0.471 28 A N 1.820 124.583 122.820 -0.096 0.000 2.407 28 A HA 0.116 4.436 4.320 -0.000 0.000 0.248 28 A C -0.126 177.432 177.584 -0.044 0.000 1.082 28 A CA -0.376 51.621 52.037 -0.067 0.000 0.785 28 A CB 0.152 19.110 19.000 -0.069 0.000 1.020 28 A HN 0.184 nan 8.150 nan 0.000 0.489 29 N N 0.721 119.406 118.700 -0.026 0.000 2.402 29 N HA 0.215 4.955 4.740 -0.000 0.000 0.252 29 N C -0.676 174.839 175.510 0.008 0.000 1.118 29 N CA 0.168 53.212 53.050 -0.010 0.000 0.945 29 N CB 0.138 38.619 38.487 -0.011 0.000 1.147 29 N HN 0.465 nan 8.380 nan 0.000 0.495 30 K N 5.434 125.853 120.400 0.031 0.000 2.800 30 K HA 0.226 4.546 4.320 -0.000 0.000 0.185 30 K C -1.838 174.814 176.600 0.086 0.000 1.082 30 K CA -1.463 54.871 56.287 0.078 0.000 0.978 30 K CB 1.576 34.155 32.500 0.131 0.000 1.364 30 K HN 0.479 nan 8.250 nan 0.000 0.592 31 P HA -0.220 nan 4.420 nan 0.000 0.216 31 P C 0.292 177.557 177.300 -0.058 0.000 1.150 31 P CA 1.492 64.590 63.100 -0.003 0.000 0.837 31 P CB 0.237 31.927 31.700 -0.016 0.000 0.786 32 N N -0.914 117.747 118.700 -0.065 0.000 2.109 32 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 32 N C 1.752 177.110 175.510 -0.254 0.000 1.034 32 N CA 0.558 53.461 53.050 -0.246 0.000 0.846 32 N CB -0.740 37.698 38.487 -0.082 0.000 1.010 32 N HN 0.001 nan 8.380 nan 0.000 0.425 33 F N 2.283 122.209 119.950 -0.039 0.000 2.126 33 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 33 F C 1.669 177.541 175.800 0.120 0.000 1.096 33 F CA 1.517 59.583 58.000 0.109 0.000 1.255 33 F CB -0.159 38.890 39.000 0.082 0.000 0.997 33 F HN -0.014 nan 8.300 nan 0.000 0.479 34 D N 0.181 120.694 120.400 0.188 0.000 2.117 34 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 34 D C 2.329 178.663 176.300 0.056 0.000 0.987 34 D CA 1.752 55.826 54.000 0.123 0.000 0.829 34 D CB -0.486 40.376 40.800 0.104 0.000 0.961 34 D HN 0.468 nan 8.370 nan 0.000 0.460 35 R N -0.238 120.224 120.500 -0.064 0.000 2.092 35 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 35 R C 1.905 178.210 176.300 0.008 0.000 1.119 35 R CA 1.049 57.100 56.100 -0.081 0.000 0.970 35 R CB -0.689 29.499 30.300 -0.187 0.000 0.864 35 R HN 0.150 nan 8.270 nan 0.000 0.440 36 Y N -0.042 120.309 120.300 0.085 0.000 2.242 36 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 36 Y C 2.252 178.233 175.900 0.136 0.000 1.137 36 Y CA 0.490 58.691 58.100 0.169 0.000 1.181 36 Y CB -0.948 37.548 38.460 0.060 0.000 0.989 36 Y HN 0.236 nan 8.280 nan 0.000 0.527 37 W N 1.528 122.782 121.300 -0.076 0.000 2.358 37 W HA -0.203 4.457 4.660 -0.000 0.000 0.303 37 W C 1.152 177.715 176.519 0.073 0.000 1.208 37 W CA 1.775 59.040 57.345 -0.134 0.000 1.274 37 W CB -0.303 28.927 29.460 -0.382 0.000 1.138 37 W HN 0.125 nan 8.180 nan 0.000 0.515 38 N N 0.527 119.364 118.700 0.228 0.000 2.300 38 N HA -0.118 4.621 4.740 -0.000 0.000 0.179 38 N C 1.396 176.917 175.510 0.019 0.000 1.016 38 N CA 1.425 54.562 53.050 0.144 0.000 0.876 38 N CB -0.443 38.124 38.487 0.134 0.000 0.979 38 N HN 0.422 nan 8.380 nan 0.000 0.432 39 E N -1.053 119.125 120.200 -0.036 0.000 2.340 39 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 39 E C -0.290 176.060 176.600 -0.417 0.000 0.996 39 E CA 0.318 56.571 56.400 -0.245 0.000 0.869 39 E CB 0.342 29.832 29.700 -0.350 0.000 0.835 39 E HN 0.262 nan 8.360 nan 0.000 0.493 40 Y N -0.141 120.158 120.300 -0.002 0.000 2.549 40 Y HA 0.328 4.877 4.550 -0.000 0.000 0.339 40 Y C -2.283 173.530 175.900 -0.144 0.000 1.053 40 Y CA -3.240 54.827 58.100 -0.055 0.000 1.105 40 Y CB 0.692 39.132 38.460 -0.032 0.000 1.258 40 Y HN -0.202 nan 8.280 nan 0.000 0.478 41 P HA 0.068 nan 4.420 nan 0.000 0.265 41 P C -0.916 176.256 177.300 -0.214 0.000 1.193 41 P CA 0.651 63.637 63.100 -0.190 0.000 0.765 41 P CB 0.217 31.853 31.700 -0.106 0.000 0.823 42 H N -0.201 118.672 119.070 -0.328 0.000 2.966 42 H HA 0.837 5.393 4.556 -0.000 0.000 0.330 42 H C -1.141 173.993 175.328 -0.323 0.000 1.292 42 H CA -0.898 54.883 56.048 -0.445 0.000 1.127 42 H CB 1.888 30.994 29.762 -1.094 0.000 1.863 42 H HN 0.414 nan 8.280 nan 0.000 0.543 43 T N -0.179 114.407 114.554 0.053 0.000 2.661 43 T HA 0.383 4.733 4.350 -0.000 0.000 0.303 43 T C -1.384 173.479 174.700 0.270 0.000 1.658 43 T CA 0.126 62.314 62.100 0.147 0.000 0.974 43 T CB 1.054 69.959 68.868 0.062 0.000 1.857 43 T HN 1.127 nan 8.240 nan 0.000 0.475 44 T N 0.363 115.055 114.554 0.229 0.000 2.906 44 T HA 0.825 5.174 4.350 -0.000 0.000 0.295 44 T C -1.156 173.631 174.700 0.145 0.000 1.075 44 T CA -0.820 61.416 62.100 0.228 0.000 1.005 44 T CB 1.227 70.234 68.868 0.232 0.000 1.136 44 T HN 0.578 nan 8.240 nan 0.000 0.498 45 L N 0.917 122.216 121.223 0.126 0.000 2.354 45 L HA 0.588 4.928 4.340 -0.000 0.000 0.264 45 L C -0.024 176.894 176.870 0.081 0.000 1.008 45 L CA -1.294 53.600 54.840 0.090 0.000 0.819 45 L CB 2.318 44.422 42.059 0.075 0.000 1.339 45 L HN 0.614 nan 8.230 nan 0.000 0.420 46 K N 1.124 121.565 120.400 0.067 0.000 2.276 46 K HA 0.486 4.806 4.320 -0.000 0.000 0.283 46 K C 0.123 176.759 176.600 0.061 0.000 1.044 46 K CA -0.108 56.217 56.287 0.063 0.000 0.944 46 K CB 1.421 33.955 32.500 0.056 0.000 1.012 46 K HN 0.743 nan 8.250 nan 0.000 0.472 47 A N 2.483 125.343 122.820 0.066 0.000 2.609 47 A HA 0.241 4.560 4.320 -0.000 0.000 0.286 47 A C -0.378 177.252 177.584 0.076 0.000 1.138 47 A CA -0.413 51.666 52.037 0.071 0.000 0.960 47 A CB 0.065 19.111 19.000 0.078 0.000 1.208 47 A HN 0.679 nan 8.150 nan 0.000 0.541 48 C N -2.498 116.842 119.300 0.067 0.000 3.108 48 C HA 0.890 5.350 4.460 -0.000 0.000 0.321 48 C C 1.443 176.465 174.990 0.055 0.000 1.357 48 C CA -0.088 58.968 59.018 0.064 0.000 1.562 48 C CB 0.843 28.622 27.740 0.065 0.000 2.003 48 C HN 1.431 nan 8.230 nan 0.000 0.460 49 G N 1.011 109.841 108.800 0.050 0.000 2.581 49 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.291 49 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.291 49 G C 0.587 175.515 174.900 0.047 0.000 1.277 49 G CA 0.914 46.041 45.100 0.045 0.000 0.959 49 G HN 0.875 nan 8.290 nan 0.000 0.554 50 E N 0.388 120.617 120.200 0.049 0.000 2.209 50 E HA -0.041 4.309 4.350 -0.000 0.000 0.196 50 E C 2.890 179.525 176.600 0.057 0.000 0.993 50 E CA 1.150 57.584 56.400 0.056 0.000 0.819 50 E CB -0.280 29.452 29.700 0.053 0.000 0.745 50 E HN 0.751 nan 8.360 nan 0.000 0.477 51 A N 1.264 124.115 122.820 0.052 0.000 2.070 51 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 51 A C 2.158 179.774 177.584 0.053 0.000 1.159 51 A CA 1.474 53.541 52.037 0.050 0.000 0.656 51 A CB -0.216 18.814 19.000 0.049 0.000 0.800 51 A HN 0.226 nan 8.150 nan 0.000 0.453 52 V N -5.453 114.494 119.914 0.055 0.000 3.070 52 V HA 0.624 4.744 4.120 -0.000 0.000 0.345 52 V C 0.957 177.085 176.094 0.058 0.000 1.403 52 V CA 0.339 62.673 62.300 0.056 0.000 1.155 52 V CB -0.679 31.176 31.823 0.054 0.000 1.140 52 V HN 1.402 nan 8.190 nan 0.000 0.505 53 G N 0.831 109.674 108.800 0.072 0.000 2.143 53 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.249 53 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.249 53 G C -0.160 174.758 174.900 0.029 0.000 0.981 53 G CA 0.578 45.734 45.100 0.093 0.000 0.665 53 G HN 0.579 nan 8.290 nan 0.000 0.528 54 L N -0.071 121.164 121.223 0.020 0.000 2.365 54 L HA 0.589 4.928 4.340 -0.000 0.000 0.267 54 L C -1.889 174.988 176.870 0.011 0.000 1.033 54 L CA -2.673 52.161 54.840 -0.011 0.000 0.802 54 L CB 1.388 43.450 42.059 0.005 0.000 1.267 54 L HN -0.151 nan 8.230 nan 0.000 0.457 55 P HA 0.016 nan 4.420 nan 0.000 0.272 55 P C -0.912 176.406 177.300 0.031 0.000 1.230 55 P CA -0.390 62.721 63.100 0.017 0.000 0.788 55 P CB 0.418 32.122 31.700 0.006 0.000 0.949 56 E N 1.087 121.309 120.200 0.036 0.000 2.529 56 E HA 0.086 4.436 4.350 -0.000 0.000 0.259 56 E C 1.069 177.693 176.600 0.040 0.000 0.966 56 E CA 1.028 57.452 56.400 0.039 0.000 0.937 56 E CB -0.509 29.214 29.700 0.038 0.000 0.923 56 E HN 0.748 nan 8.360 nan 0.000 0.468 57 G N 3.326 112.151 108.800 0.042 0.000 2.234 57 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 57 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 57 G C 0.279 175.208 174.900 0.048 0.000 0.987 57 G CA 0.584 45.711 45.100 0.044 0.000 0.625 57 G HN 0.594 nan 8.290 nan 0.000 0.532 58 Q N 1.851 121.679 119.800 0.047 0.000 2.296 58 Q HA 0.582 4.922 4.340 -0.000 0.000 0.262 58 Q C 1.296 177.329 176.000 0.055 0.000 0.981 58 Q CA -0.301 55.532 55.803 0.051 0.000 0.905 58 Q CB 0.293 29.058 28.738 0.045 0.000 1.186 58 Q HN 0.674 nan 8.270 nan 0.000 0.399 59 M N 1.966 121.603 119.600 0.062 0.000 2.245 59 M HA 0.460 4.940 4.480 -0.000 0.000 0.330 59 M C 0.470 176.817 176.300 0.079 0.000 1.098 59 M CA 0.153 55.501 55.300 0.079 0.000 1.172 59 M CB 0.336 32.995 32.600 0.099 0.000 1.467 59 M HN 0.556 nan 8.290 nan 0.000 0.454 60 G N 1.670 110.523 108.800 0.088 0.000 2.535 60 G HA2 0.563 4.523 3.960 -0.000 0.000 0.282 60 G HA3 0.563 4.523 3.960 -0.000 0.000 0.282 60 G C -0.833 174.066 174.900 -0.003 0.000 1.350 60 G CA -0.583 44.555 45.100 0.064 0.000 1.039 60 G HN 1.113 nan 8.290 nan 0.000 0.509 61 N N -4.164 114.480 118.700 -0.094 0.000 3.261 61 N HA 0.188 4.928 4.740 -0.000 0.000 0.248 61 N C 0.501 176.008 175.510 -0.006 0.000 1.498 61 N CA -0.082 52.805 53.050 -0.272 0.000 0.884 61 N CB 0.631 39.115 38.487 -0.005 0.000 1.428 61 N HN 0.145 nan 8.380 nan 0.000 0.517 62 S N -0.758 114.986 115.700 0.074 0.000 2.382 62 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 62 S C 1.256 175.954 174.600 0.162 0.000 1.027 62 S CA 1.427 59.753 58.200 0.210 0.000 0.991 62 S CB -0.526 62.558 63.200 -0.192 0.000 0.823 62 S HN 0.678 nan 8.310 nan 0.000 0.469 63 E N 1.084 121.200 120.200 -0.140 0.000 2.015 63 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 63 E C 1.989 178.462 176.600 -0.212 0.000 0.991 63 E CA 1.370 57.401 56.400 -0.615 0.000 0.802 63 E CB -0.147 29.108 29.700 -0.742 0.000 0.759 63 E HN 0.269 nan 8.360 nan 0.000 0.447 64 V N 1.110 120.977 119.914 -0.079 0.000 2.287 64 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 64 V C 2.479 178.612 176.094 0.066 0.000 1.053 64 V CA 2.057 64.362 62.300 0.007 0.000 1.027 64 V CB -1.109 30.723 31.823 0.015 0.000 0.646 64 V HN 0.557 nan 8.190 nan 0.000 0.447 65 G N -1.141 107.726 108.800 0.111 0.000 2.433 65 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 65 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 65 G C 1.340 176.279 174.900 0.064 0.000 1.186 65 G CA 1.165 46.326 45.100 0.102 0.000 0.779 65 G HN 0.617 nan 8.290 nan 0.000 0.543 66 H N -0.060 119.072 119.070 0.104 0.000 2.423 66 H HA 0.155 4.711 4.556 -0.000 0.000 0.297 66 H C 2.597 178.010 175.328 0.143 0.000 1.075 66 H CA 0.747 56.882 56.048 0.145 0.000 1.342 66 H CB -0.115 29.796 29.762 0.249 0.000 1.395 66 H HN 0.240 nan 8.280 nan 0.000 0.530 67 L N 0.045 121.410 121.223 0.235 0.000 2.017 67 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 67 L C 2.170 179.111 176.870 0.118 0.000 1.073 67 L CA 1.175 56.126 54.840 0.184 0.000 0.745 67 L CB -0.300 41.854 42.059 0.158 0.000 0.894 67 L HN 0.400 nan 8.230 nan 0.000 0.432 68 N N 0.122 118.876 118.700 0.090 0.000 2.142 68 N HA -0.141 4.598 4.740 -0.000 0.000 0.186 68 N C 1.942 177.480 175.510 0.045 0.000 1.023 68 N CA 1.398 54.486 53.050 0.063 0.000 0.852 68 N CB -0.053 38.466 38.487 0.054 0.000 0.998 68 N HN 0.323 nan 8.380 nan 0.000 0.424 69 I N 0.770 121.358 120.570 0.029 0.000 2.179 69 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 69 I C 2.474 178.604 176.117 0.022 0.000 1.088 69 I CA 1.293 62.595 61.300 0.002 0.000 1.357 69 I CB -0.531 37.434 38.000 -0.059 0.000 1.051 69 I HN 0.145 nan 8.210 nan 0.000 0.409 70 G N 0.011 108.844 108.800 0.055 0.000 2.448 70 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 70 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 70 G C 1.765 176.691 174.900 0.044 0.000 1.135 70 G CA 0.689 45.823 45.100 0.058 0.000 0.784 70 G HN 0.483 nan 8.290 nan 0.000 0.543 71 A N -0.020 122.831 122.820 0.051 0.000 2.016 71 A HA 0.428 4.748 4.320 -0.000 0.000 0.217 71 A C 2.133 179.734 177.584 0.027 0.000 1.162 71 A CA 1.452 53.515 52.037 0.043 0.000 0.662 71 A CB -0.548 18.486 19.000 0.056 0.000 0.812 71 A HN 1.548 nan 8.150 nan 0.000 0.450 72 G N -0.212 108.602 108.800 0.024 0.000 2.221 72 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.265 72 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.265 72 G C 0.112 175.024 174.900 0.020 0.000 1.041 72 G CA 0.836 45.945 45.100 0.015 0.000 0.807 72 G HN 1.361 nan 8.290 nan 0.000 0.502 73 R N -1.714 118.803 120.500 0.029 0.000 2.741 73 R HA 0.558 4.897 4.340 -0.000 0.000 0.276 73 R C -0.877 175.449 176.300 0.044 0.000 1.028 73 R CA -1.352 54.767 56.100 0.032 0.000 0.865 73 R CB 0.628 30.946 30.300 0.031 0.000 1.268 73 R HN 0.199 nan 8.270 nan 0.000 0.475 74 I N 2.294 122.892 120.570 0.046 0.000 2.436 74 I HA 0.114 4.284 4.170 -0.000 0.000 0.289 74 I C -0.086 176.080 176.117 0.081 0.000 1.083 74 I CA -0.632 60.704 61.300 0.061 0.000 1.372 74 I CB 1.380 39.416 38.000 0.060 0.000 1.408 74 I HN 0.229 nan 8.210 nan 0.000 0.516 75 V N 7.885 127.853 119.914 0.091 0.000 2.385 75 V HA 0.053 4.173 4.120 -0.000 0.000 0.269 75 V C -0.085 176.102 176.094 0.154 0.000 1.043 75 V CA -0.609 61.759 62.300 0.114 0.000 0.906 75 V CB 0.716 32.598 31.823 0.097 0.000 0.995 75 V HN 0.410 nan 8.190 nan 0.000 0.467 76 Y N 5.714 126.028 120.300 0.024 0.000 2.650 76 Y HA 0.150 4.700 4.550 -0.000 0.000 0.331 76 Y C 0.624 176.529 175.900 0.008 0.000 1.165 76 Y CA -0.020 58.088 58.100 0.013 0.000 1.473 76 Y CB 0.302 38.769 38.460 0.013 0.000 1.224 76 Y HN 0.587 nan 8.280 nan 0.000 0.533 77 Q N 3.404 123.033 119.800 -0.285 0.000 2.214 77 Q HA 0.231 4.571 4.340 -0.000 0.000 0.251 77 Q C 1.181 176.882 176.000 -0.499 0.000 0.936 77 Q CA -0.209 55.419 55.803 -0.291 0.000 0.894 77 Q CB 1.701 30.327 28.738 -0.188 0.000 1.252 77 Q HN 0.838 nan 8.270 nan 0.000 0.448 78 S N 0.869 116.344 115.700 -0.375 0.000 2.370 78 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 78 S C 1.747 175.899 174.600 -0.746 0.000 1.033 78 S CA 1.240 59.151 58.200 -0.481 0.000 1.011 78 S CB -0.152 62.862 63.200 -0.310 0.000 0.852 78 S HN 0.552 nan 8.310 nan 0.000 0.457 79 L N 2.026 122.697 121.223 -0.920 0.000 2.012 79 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 79 L C 2.203 178.841 176.870 -0.387 0.000 1.073 79 L CA 2.070 56.454 54.840 -0.759 0.000 0.748 79 L CB -1.519 40.269 42.059 -0.453 0.000 0.891 79 L HN 0.243 nan 8.230 nan 0.000 0.431 80 T N -0.388 113.931 114.554 -0.391 0.000 2.708 80 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 80 T C 1.968 176.481 174.700 -0.312 0.000 1.037 80 T CA 1.642 63.561 62.100 -0.301 0.000 1.146 80 T CB -0.364 68.302 68.868 -0.337 0.000 0.865 80 T HN 0.381 nan 8.240 nan 0.000 0.435 81 R N 0.759 120.925 120.500 -0.558 0.000 2.083 81 R HA -0.054 4.286 4.340 -0.000 0.000 0.237 81 R C 2.396 178.538 176.300 -0.264 0.000 1.137 81 R CA 1.542 57.444 56.100 -0.329 0.000 0.951 81 R CB -0.451 29.622 30.300 -0.378 0.000 0.851 81 R HN 0.403 nan 8.270 nan 0.000 0.434 82 I N 1.063 121.360 120.570 -0.454 0.000 2.353 82 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 82 I C 1.749 177.711 176.117 -0.259 0.000 1.119 82 I CA 0.790 61.774 61.300 -0.527 0.000 1.417 82 I CB -0.398 37.185 38.000 -0.694 0.000 1.078 82 I HN 0.222 nan 8.210 nan 0.000 0.421 83 N N 1.028 119.639 118.700 -0.148 0.000 2.120 83 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 83 N C 1.817 177.317 175.510 -0.017 0.000 1.024 83 N CA 1.297 54.325 53.050 -0.038 0.000 0.852 83 N CB -0.186 38.291 38.487 -0.015 0.000 1.003 83 N HN 0.203 nan 8.380 nan 0.000 0.424 84 I N 1.046 121.618 120.570 0.003 0.000 2.286 84 I HA -0.133 4.036 4.170 -0.000 0.000 0.248 84 I C 2.206 178.377 176.117 0.090 0.000 1.115 84 I CA 0.626 61.962 61.300 0.061 0.000 1.392 84 I CB -1.508 36.561 38.000 0.114 0.000 1.065 84 I HN 0.013 nan 8.210 nan 0.000 0.418 85 A N 1.045 123.936 122.820 0.119 0.000 1.933 85 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 85 A C 2.381 180.105 177.584 0.232 0.000 1.175 85 A CA 1.436 53.617 52.037 0.240 0.000 0.628 85 A CB -0.684 18.576 19.000 0.433 0.000 0.814 85 A HN 0.383 nan 8.150 nan 0.000 0.444 86 I N -1.338 119.308 120.570 0.126 0.000 2.233 86 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 86 I C 2.696 178.832 176.117 0.031 0.000 1.093 86 I CA 1.442 62.751 61.300 0.015 0.000 1.380 86 I CB -0.326 37.561 38.000 -0.188 0.000 1.067 86 I HN 0.352 nan 8.210 nan 0.000 0.413 87 R N 1.020 121.539 120.500 0.031 0.000 2.105 87 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 87 R C 1.593 177.922 176.300 0.048 0.000 1.135 87 R CA 1.411 57.531 56.100 0.033 0.000 0.967 87 R CB 0.051 30.372 30.300 0.035 0.000 0.861 87 R HN 0.271 nan 8.270 nan 0.000 0.442 88 E N -0.874 119.367 120.200 0.069 0.000 2.479 88 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 88 E C 0.757 177.403 176.600 0.077 0.000 1.049 88 E CA 0.701 57.142 56.400 0.069 0.000 0.870 88 E CB 0.783 30.529 29.700 0.076 0.000 0.944 88 E HN 0.604 nan 8.360 nan 0.000 0.492 89 G N 1.958 110.813 108.800 0.093 0.000 2.147 89 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.244 89 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.244 89 G C 0.741 175.715 174.900 0.123 0.000 1.005 89 G CA 0.469 45.629 45.100 0.099 0.000 0.713 89 G HN 0.189 nan 8.290 nan 0.000 0.515 90 E N -1.098 119.200 120.200 0.164 0.000 2.364 90 E HA 0.190 4.539 4.350 -0.000 0.000 0.196 90 E C 1.849 178.577 176.600 0.213 0.000 0.990 90 E CA -0.009 56.483 56.400 0.153 0.000 0.886 90 E CB -0.102 29.684 29.700 0.144 0.000 0.866 90 E HN 0.539 nan 8.360 nan 0.000 0.493 91 F N 2.914 122.961 119.950 0.162 0.000 2.091 91 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 91 F C 1.432 177.377 175.800 0.241 0.000 1.103 91 F CA 1.727 59.887 58.000 0.267 0.000 1.228 91 F CB 0.183 39.327 39.000 0.241 0.000 0.984 91 F HN -0.097 nan 8.300 nan 0.000 0.477 92 D N -0.278 120.352 120.400 0.383 0.000 2.350 92 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 92 D C 1.873 178.233 176.300 0.100 0.000 0.968 92 D CA 0.792 54.930 54.000 0.231 0.000 0.894 92 D CB -0.259 40.641 40.800 0.165 0.000 0.909 92 D HN 0.412 nan 8.370 nan 0.000 0.520 93 R N 0.248 120.783 120.500 0.058 0.000 2.334 93 R HA 0.076 4.416 4.340 -0.000 0.000 0.216 93 R C 0.648 176.894 176.300 -0.091 0.000 0.905 93 R CA -0.345 55.750 56.100 -0.008 0.000 1.064 93 R CB 0.091 30.390 30.300 -0.002 0.000 1.046 93 R HN 0.015 nan 8.270 nan 0.000 0.508 94 N N 2.546 121.147 118.700 -0.165 0.000 2.414 94 N HA -0.105 4.635 4.740 -0.000 0.000 0.268 94 N C 0.366 175.692 175.510 -0.307 0.000 1.286 94 N CA 0.530 53.336 53.050 -0.407 0.000 0.896 94 N CB 0.762 38.719 38.487 -0.884 0.000 1.093 94 N HN 0.266 nan 8.380 nan 0.000 0.480 95 E N 1.995 122.032 120.200 -0.272 0.000 2.153 95 E HA -0.148 4.201 4.350 -0.000 0.000 0.194 95 E C 1.110 177.605 176.600 -0.175 0.000 0.988 95 E CA 1.342 57.635 56.400 -0.179 0.000 0.811 95 E CB 0.170 29.786 29.700 -0.140 0.000 0.746 95 E HN 0.652 nan 8.360 nan 0.000 0.466 96 T N 0.709 115.101 114.554 -0.271 0.000 2.812 96 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 96 T C 1.435 176.103 174.700 -0.053 0.000 1.042 96 T CA 0.755 62.750 62.100 -0.175 0.000 1.140 96 T CB -0.204 68.523 68.868 -0.234 0.000 0.870 96 T HN 0.062 nan 8.240 nan 0.000 0.445 97 F N 1.543 121.397 119.950 -0.161 0.000 2.134 97 F HA 0.078 4.605 4.527 -0.000 0.000 0.299 97 F C 2.154 177.859 175.800 -0.158 0.000 1.097 97 F CA 0.163 58.068 58.000 -0.157 0.000 1.264 97 F CB -1.258 37.609 39.000 -0.221 0.000 1.001 97 F HN 0.105 nan 8.300 nan 0.000 0.479 98 L N -0.556 120.689 121.223 0.037 0.000 2.083 98 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 98 L C 2.661 179.462 176.870 -0.115 0.000 1.083 98 L CA 1.131 55.946 54.840 -0.041 0.000 0.752 98 L CB -1.037 40.992 42.059 -0.050 0.000 0.899 98 L HN 0.127 nan 8.230 nan 0.000 0.433 99 A N 0.066 122.801 122.820 -0.141 0.000 1.930 99 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 99 A C 2.543 179.765 177.584 -0.603 0.000 1.175 99 A CA 1.593 53.483 52.037 -0.245 0.000 0.627 99 A CB -0.581 18.352 19.000 -0.112 0.000 0.815 99 A HN 0.389 nan 8.150 nan 0.000 0.443 100 A N -0.474 122.002 122.820 -0.574 0.000 1.902 100 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 100 A C 2.244 179.601 177.584 -0.378 0.000 1.181 100 A CA 1.783 53.373 52.037 -0.745 0.000 0.623 100 A CB -0.511 18.381 19.000 -0.180 0.000 0.818 100 A HN 0.526 nan 8.150 nan 0.000 0.443 101 M N -0.888 118.583 119.600 -0.216 0.000 2.254 101 M HA -0.104 4.376 4.480 -0.000 0.000 0.265 101 M C 2.063 178.272 176.300 -0.151 0.000 1.066 101 M CA 1.629 56.841 55.300 -0.146 0.000 1.123 101 M CB -0.389 32.147 32.600 -0.106 0.000 1.388 101 M HN 0.569 nan 8.290 nan 0.000 0.425 102 N N 0.060 118.654 118.700 -0.177 0.000 2.188 102 N HA -0.209 4.531 4.740 -0.000 0.000 0.184 102 N C 1.586 176.983 175.510 -0.189 0.000 1.018 102 N CA 1.569 54.520 53.050 -0.166 0.000 0.858 102 N CB -0.129 38.269 38.487 -0.149 0.000 0.989 102 N HN 0.375 nan 8.380 nan 0.000 0.426 103 H N -0.615 118.267 119.070 -0.313 0.000 2.290 103 H HA -0.028 4.527 4.556 -0.000 0.000 0.298 103 H C 1.823 177.108 175.328 -0.073 0.000 1.087 103 H CA 2.289 58.222 56.048 -0.191 0.000 1.291 103 H CB -0.354 29.161 29.762 -0.411 0.000 1.369 103 H HN 0.056 nan 8.280 nan 0.000 0.492 104 V N 0.848 120.750 119.914 -0.020 0.000 2.343 104 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 104 V C 2.286 178.315 176.094 -0.108 0.000 1.051 104 V CA 2.284 64.572 62.300 -0.021 0.000 1.036 104 V CB -0.421 31.399 31.823 -0.005 0.000 0.654 104 V HN 0.430 nan 8.190 nan 0.000 0.451 105 K N -0.360 119.954 120.400 -0.143 0.000 2.025 105 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 105 K C 2.274 178.749 176.600 -0.209 0.000 1.049 105 K CA 1.455 57.653 56.287 -0.149 0.000 0.933 105 K CB -0.221 32.198 32.500 -0.134 0.000 0.714 105 K HN 0.506 nan 8.250 nan 0.000 0.438 106 Q N -0.307 119.288 119.800 -0.342 0.000 2.167 106 Q HA -0.101 4.238 4.340 -0.000 0.000 0.202 106 Q C 1.215 176.859 176.000 -0.593 0.000 0.970 106 Q CA 0.953 56.458 55.803 -0.497 0.000 0.855 106 Q CB 0.184 28.515 28.738 -0.678 0.000 0.911 106 Q HN 0.485 nan 8.270 nan 0.000 0.438 107 H N -1.577 117.371 119.070 -0.203 0.000 2.652 107 H HA 0.215 4.771 4.556 -0.000 0.000 0.274 107 H C 0.833 176.097 175.328 -0.107 0.000 1.021 107 H CA 0.634 56.573 56.048 -0.182 0.000 1.187 107 H CB 0.878 30.452 29.762 -0.313 0.000 1.505 107 H HN 0.340 nan 8.280 nan 0.000 0.530 108 G N 2.524 111.301 108.800 -0.038 0.000 2.295 108 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.287 108 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.287 108 G C 0.692 175.610 174.900 0.030 0.000 1.055 108 G CA 0.902 45.997 45.100 -0.009 0.000 0.922 108 G HN 0.601 nan 8.290 nan 0.000 0.503 109 T N -3.213 111.367 114.554 0.043 0.000 2.769 109 T HA 0.836 5.186 4.350 -0.000 0.000 0.258 109 T C 0.348 175.098 174.700 0.084 0.000 1.008 109 T CA 0.161 62.317 62.100 0.094 0.000 1.021 109 T CB 1.867 70.825 68.868 0.150 0.000 1.788 109 T HN 0.611 nan 8.240 nan 0.000 0.577 110 S N 0.072 115.844 115.700 0.121 0.000 2.568 110 S HA 0.690 5.160 4.470 -0.000 0.000 0.293 110 S C -1.436 173.147 174.600 -0.028 0.000 1.089 110 S CA -0.738 57.489 58.200 0.044 0.000 0.945 110 S CB 1.504 64.799 63.200 0.158 0.000 1.077 110 S HN 0.767 nan 8.310 nan 0.000 0.485 111 L N 3.368 124.494 121.223 -0.162 0.000 2.282 111 L HA 0.510 4.849 4.340 -0.000 0.000 0.288 111 L C -1.026 175.698 176.870 -0.243 0.000 1.033 111 L CA 0.035 54.792 54.840 -0.139 0.000 0.807 111 L CB 0.497 42.481 42.059 -0.125 0.000 1.209 111 L HN 0.663 nan 8.230 nan 0.000 0.423 112 H N 6.407 125.522 119.070 0.075 0.000 2.469 112 H HA 0.492 5.048 4.556 -0.000 0.000 0.342 112 H C -1.039 174.285 175.328 -0.006 0.000 1.115 112 H CA -0.591 55.548 56.048 0.152 0.000 1.204 112 H CB 1.899 31.784 29.762 0.206 0.000 1.492 112 H HN 0.536 nan 8.280 nan 0.000 0.499 113 L N 5.146 126.479 121.223 0.184 0.000 2.325 113 L HA 0.421 4.761 4.340 -0.000 0.000 0.281 113 L C -0.591 176.410 176.870 0.218 0.000 1.004 113 L CA -0.767 54.132 54.840 0.098 0.000 0.823 113 L CB 0.768 42.897 42.059 0.116 0.000 1.236 113 L HN 0.490 nan 8.230 nan 0.000 0.415 114 F N 0.537 120.499 119.950 0.021 0.000 2.613 114 F HA 1.021 5.548 4.527 -0.000 0.000 0.314 114 F C 0.111 175.467 175.800 -0.740 0.000 1.075 114 F CA -0.804 56.968 58.000 -0.380 0.000 0.945 114 F CB 2.356 41.016 39.000 -0.566 0.000 1.310 114 F HN 0.564 nan 8.300 nan 0.000 0.467 115 G N 0.916 109.140 108.800 -0.960 0.000 2.337 115 G HA2 0.353 4.312 3.960 -0.000 0.000 0.298 115 G HA3 0.353 4.312 3.960 -0.000 0.000 0.298 115 G C -2.505 172.055 174.900 -0.567 0.000 1.335 115 G CA -1.241 43.347 45.100 -0.853 0.000 0.875 115 G HN 0.896 nan 8.290 nan 0.000 0.579 116 L N 0.557 121.663 121.223 -0.195 0.000 2.534 116 L HA 0.421 4.761 4.340 -0.000 0.000 0.271 116 L C 0.570 177.446 176.870 0.010 0.000 1.178 116 L CA -0.009 54.823 54.840 -0.013 0.000 0.907 116 L CB 0.150 42.181 42.059 -0.047 0.000 1.164 116 L HN 0.392 nan 8.230 nan 0.000 0.482 117 L N 6.326 127.556 121.223 0.011 0.000 2.399 117 L HA 0.318 4.657 4.340 -0.000 0.000 0.257 117 L C 0.064 176.730 176.870 -0.340 0.000 1.236 117 L CA -0.048 54.775 54.840 -0.029 0.000 1.144 117 L CB -0.783 41.314 42.059 0.063 0.000 1.379 117 L HN 0.918 nan 8.230 nan 0.000 0.414 118 S N -0.891 114.497 115.700 -0.521 0.000 2.636 118 S HA 0.239 4.709 4.470 -0.000 0.000 0.266 118 S C -0.643 173.488 174.600 -0.782 0.000 1.147 118 S CA -0.801 56.732 58.200 -1.112 0.000 0.815 118 S CB 1.504 64.173 63.200 -0.884 0.000 1.119 118 S HN 0.366 nan 8.310 nan 0.000 0.470 119 D N -0.201 119.754 120.400 -0.742 0.000 2.491 119 D HA 0.266 4.906 4.640 -0.000 0.000 0.228 119 D C 1.440 177.450 176.300 -0.483 0.000 1.183 119 D CA 0.226 53.742 54.000 -0.807 0.000 0.827 119 D CB -0.456 40.041 40.800 -0.506 0.000 0.989 119 D HN 0.712 nan 8.370 nan 0.000 0.494 120 G N 1.010 109.602 108.800 -0.345 0.000 2.440 120 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.218 120 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.218 120 G C 1.479 176.324 174.900 -0.092 0.000 1.154 120 G CA 0.900 45.897 45.100 -0.171 0.000 0.767 120 G HN 0.840 nan 8.290 nan 0.000 0.552 121 G N -1.552 107.200 108.800 -0.079 0.000 2.179 121 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 121 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 121 G C 1.141 176.169 174.900 0.214 0.000 0.977 121 G CA 0.824 46.011 45.100 0.144 0.000 0.641 121 G HN 0.719 nan 8.290 nan 0.000 0.533 122 V N -0.309 119.633 119.914 0.048 0.000 2.500 122 V HA 0.064 4.184 4.120 -0.000 0.000 0.243 122 V C 2.073 178.053 176.094 -0.190 0.000 1.039 122 V CA 2.042 64.329 62.300 -0.022 0.000 1.053 122 V CB -0.292 31.473 31.823 -0.096 0.000 0.695 122 V HN 0.563 nan 8.190 nan 0.000 0.463 123 H N -0.763 118.155 119.070 -0.253 0.000 2.855 123 H HA 0.357 4.913 4.556 -0.000 0.000 0.259 123 H C 0.877 175.568 175.328 -1.062 0.000 0.972 123 H CA 0.934 56.689 56.048 -0.488 0.000 1.213 123 H CB 1.273 30.870 29.762 -0.276 0.000 1.451 123 H HN 0.595 nan 8.280 nan 0.000 0.484 124 S N -0.417 114.817 115.700 -0.777 0.000 2.683 124 S HA 0.265 4.735 4.470 -0.000 0.000 0.269 124 S C -1.595 172.939 174.600 -0.111 0.000 1.165 124 S CA -0.954 56.893 58.200 -0.588 0.000 0.840 124 S CB 3.129 66.253 63.200 -0.127 0.000 1.169 124 S HN 0.286 nan 8.310 nan 0.000 0.490 125 H N 0.109 119.108 119.070 -0.118 0.000 2.966 125 H HA 0.459 5.015 4.556 -0.000 0.000 0.347 125 H C 0.347 175.484 175.328 -0.319 0.000 1.048 125 H CA -0.448 55.415 56.048 -0.308 0.000 1.295 125 H CB 1.746 31.175 29.762 -0.554 0.000 1.744 125 H HN 0.755 nan 8.280 nan 0.000 0.513 126 I N 4.054 124.436 120.570 -0.314 0.000 2.423 126 I HA -0.271 3.899 4.170 -0.000 0.000 0.254 126 I C 1.442 177.261 176.117 -0.497 0.000 1.151 126 I CA 1.251 62.313 61.300 -0.397 0.000 1.421 126 I CB -0.058 37.694 38.000 -0.413 0.000 1.079 126 I HN 0.663 nan 8.210 nan 0.000 0.431 127 H N -1.095 117.912 119.070 -0.105 0.000 2.491 127 H HA -0.155 4.401 4.556 -0.000 0.000 0.290 127 H C 1.808 177.096 175.328 -0.067 0.000 1.050 127 H CA 1.181 57.165 56.048 -0.107 0.000 1.309 127 H CB -0.072 29.692 29.762 0.003 0.000 1.392 127 H HN 0.595 nan 8.280 nan 0.000 0.554 128 H N -0.295 118.745 119.070 -0.051 0.000 2.395 128 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 128 H C 2.263 177.444 175.328 -0.245 0.000 1.070 128 H CA 0.499 56.472 56.048 -0.124 0.000 1.356 128 H CB 0.283 30.123 29.762 0.130 0.000 1.401 128 H HN 0.180 nan 8.280 nan 0.000 0.524 129 L N 0.676 121.669 121.223 -0.384 0.000 2.056 129 L HA -0.202 4.137 4.340 -0.000 0.000 0.207 129 L C 1.732 178.532 176.870 -0.115 0.000 1.078 129 L CA 1.497 56.008 54.840 -0.548 0.000 0.749 129 L CB -0.734 40.812 42.059 -0.855 0.000 0.901 129 L HN 0.149 nan 8.230 nan 0.000 0.433 130 Y N 0.315 120.590 120.300 -0.042 0.000 2.181 130 Y HA -0.096 4.454 4.550 -0.000 0.000 0.288 130 Y C 2.696 178.552 175.900 -0.073 0.000 1.146 130 Y CA 0.692 58.835 58.100 0.072 0.000 1.164 130 Y CB -1.672 36.874 38.460 0.144 0.000 0.982 130 Y HN 0.324 nan 8.280 nan 0.000 0.515 131 A N -0.023 122.783 122.820 -0.022 0.000 1.933 131 A HA -0.127 4.192 4.320 -0.000 0.000 0.218 131 A C 2.369 179.893 177.584 -0.099 0.000 1.175 131 A CA 1.396 53.301 52.037 -0.220 0.000 0.628 131 A CB -1.075 17.517 19.000 -0.680 0.000 0.814 131 A HN 0.458 nan 8.150 nan 0.000 0.444 132 L N -0.834 120.368 121.223 -0.035 0.000 2.093 132 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 132 L C 2.513 179.317 176.870 -0.110 0.000 1.085 132 L CA 0.788 55.595 54.840 -0.055 0.000 0.755 132 L CB -0.408 41.577 42.059 -0.123 0.000 0.904 132 L HN 0.374 nan 8.230 nan 0.000 0.435 133 L N -0.608 120.560 121.223 -0.093 0.000 2.056 133 L HA -0.206 4.133 4.340 -0.000 0.000 0.207 133 L C 2.811 179.510 176.870 -0.286 0.000 1.078 133 L CA 1.171 55.954 54.840 -0.094 0.000 0.749 133 L CB -0.448 41.673 42.059 0.104 0.000 0.901 133 L HN 0.234 nan 8.230 nan 0.000 0.433 134 R N 0.188 120.338 120.500 -0.584 0.000 2.096 134 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 134 R C 2.305 178.413 176.300 -0.320 0.000 1.127 134 R CA 1.417 57.059 56.100 -0.762 0.000 0.968 134 R CB -0.208 29.573 30.300 -0.865 0.000 0.861 134 R HN 0.194 nan 8.270 nan 0.000 0.440 135 L N 0.577 121.688 121.223 -0.187 0.000 2.056 135 L HA 0.000 4.340 4.340 -0.000 0.000 0.207 135 L C 2.239 179.050 176.870 -0.099 0.000 1.078 135 L CA 2.086 56.876 54.840 -0.084 0.000 0.749 135 L CB -0.693 41.366 42.059 -0.001 0.000 0.901 135 L HN 0.224 nan 8.230 nan 0.000 0.433 136 A N -0.347 122.401 122.820 -0.120 0.000 1.908 136 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 136 A C 2.458 179.981 177.584 -0.101 0.000 1.181 136 A CA 1.950 53.921 52.037 -0.111 0.000 0.627 136 A CB -1.203 17.726 19.000 -0.118 0.000 0.818 136 A HN 0.585 nan 8.150 nan 0.000 0.445 137 A N -0.249 122.504 122.820 -0.112 0.000 1.902 137 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 137 A C 2.147 179.687 177.584 -0.074 0.000 1.181 137 A CA 1.989 53.974 52.037 -0.085 0.000 0.623 137 A CB -0.470 18.482 19.000 -0.080 0.000 0.818 137 A HN 0.567 nan 8.150 nan 0.000 0.443 138 K N -0.439 119.910 120.400 -0.085 0.000 2.097 138 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 138 K C 1.138 177.707 176.600 -0.052 0.000 1.049 138 K CA 1.539 57.789 56.287 -0.061 0.000 0.933 138 K CB -0.071 32.395 32.500 -0.057 0.000 0.717 138 K HN 0.336 nan 8.250 nan 0.000 0.442 139 E N -0.467 119.698 120.200 -0.059 0.000 2.502 139 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 139 E C 0.773 177.335 176.600 -0.063 0.000 1.062 139 E CA 0.748 57.113 56.400 -0.058 0.000 0.867 139 E CB 0.448 30.111 29.700 -0.062 0.000 0.888 139 E HN 0.593 nan 8.360 nan 0.000 0.510 140 G N 1.215 109.977 108.800 -0.063 0.000 2.176 140 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 140 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 140 G C 0.338 175.194 174.900 -0.072 0.000 1.024 140 G CA 0.360 45.423 45.100 -0.062 0.000 0.755 140 G HN 0.174 nan 8.290 nan 0.000 0.507 141 V N 0.922 120.786 119.914 -0.084 0.000 2.470 141 V HA 0.248 4.368 4.120 -0.000 0.000 0.276 141 V C 1.511 177.542 176.094 -0.105 0.000 1.040 141 V CA 0.054 62.295 62.300 -0.098 0.000 1.008 141 V CB 1.397 33.154 31.823 -0.111 0.000 0.990 141 V HN 0.256 nan 8.190 nan 0.000 0.477 142 K N 3.910 124.249 120.400 -0.102 0.000 2.067 142 K HA 0.139 4.459 4.320 -0.000 0.000 0.203 142 K C 0.777 177.281 176.600 -0.160 0.000 1.048 142 K CA 0.916 57.141 56.287 -0.103 0.000 0.954 142 K CB 0.075 32.533 32.500 -0.070 0.000 0.737 142 K HN 0.469 nan 8.250 nan 0.000 0.444 143 R N 1.335 121.718 120.500 -0.195 0.000 2.215 143 R HA 0.357 4.697 4.340 -0.000 0.000 0.337 143 R C -0.970 174.995 176.300 -0.557 0.000 1.010 143 R CA -0.263 55.613 56.100 -0.374 0.000 0.871 143 R CB 1.338 31.529 30.300 -0.182 0.000 1.134 143 R HN -0.205 nan 8.270 nan 0.000 0.477 144 V N 4.644 124.118 119.914 -0.732 0.000 2.483 144 V HA 0.387 4.507 4.120 -0.000 0.000 0.297 144 V C -1.125 174.537 176.094 -0.720 0.000 1.027 144 V CA -0.940 61.018 62.300 -0.571 0.000 0.855 144 V CB 1.349 33.002 31.823 -0.284 0.000 0.995 144 V HN 0.564 nan 8.190 nan 0.000 0.424 145 Y N 4.220 124.439 120.300 -0.136 0.000 2.409 145 Y HA 0.684 5.234 4.550 -0.000 0.000 0.343 145 Y C 0.065 175.928 175.900 -0.062 0.000 0.973 145 Y CA -1.078 56.964 58.100 -0.097 0.000 1.064 145 Y CB 1.831 40.252 38.460 -0.065 0.000 1.207 145 Y HN 0.445 nan 8.280 nan 0.000 0.452 146 I N 3.959 124.548 120.570 0.031 0.000 2.377 146 I HA 0.291 4.461 4.170 -0.000 0.000 0.293 146 I C -0.604 175.424 176.117 -0.149 0.000 0.987 146 I CA -0.697 60.616 61.300 0.022 0.000 1.185 146 I CB 1.036 39.076 38.000 0.068 0.000 1.341 146 I HN 0.567 nan 8.210 nan 0.000 0.455 147 H N 5.182 124.353 119.070 0.168 0.000 2.725 147 H HA 0.290 4.846 4.556 -0.000 0.000 0.283 147 H C 0.197 175.485 175.328 -0.067 0.000 1.110 147 H CA -0.445 55.669 56.048 0.110 0.000 1.289 147 H CB 1.570 31.425 29.762 0.156 0.000 1.400 147 H HN 0.789 nan 8.280 nan 0.000 0.493 148 G N 2.557 111.411 108.800 0.090 0.000 2.370 148 G HA2 0.295 4.255 3.960 -0.000 0.000 0.272 148 G HA3 0.295 4.255 3.960 -0.000 0.000 0.272 148 G C -0.623 174.409 174.900 0.220 0.000 1.208 148 G CA -0.302 44.836 45.100 0.063 0.000 0.856 148 G HN 0.294 nan 8.290 nan 0.000 0.500 149 F N 2.272 122.258 119.950 0.061 0.000 2.361 149 F HA 0.366 4.893 4.527 -0.000 0.000 0.364 149 F C 0.688 176.486 175.800 -0.004 0.000 1.120 149 F CA -1.575 56.429 58.000 0.007 0.000 1.102 149 F CB 1.127 40.102 39.000 -0.041 0.000 1.183 149 F HN 0.139 nan 8.300 nan 0.000 0.476 150 L N 3.427 124.766 121.223 0.192 0.000 2.426 150 L HA 0.147 4.487 4.340 -0.000 0.000 0.271 150 L C 1.072 177.961 176.870 0.031 0.000 1.169 150 L CA -0.095 54.808 54.840 0.105 0.000 0.836 150 L CB 0.570 42.699 42.059 0.117 0.000 1.112 150 L HN 0.511 nan 8.230 nan 0.000 0.465 151 D N 1.749 122.146 120.400 -0.005 0.000 2.237 151 D HA 0.070 4.710 4.640 -0.000 0.000 0.267 151 D C 1.472 177.730 176.300 -0.070 0.000 1.226 151 D CA 1.198 55.159 54.000 -0.067 0.000 0.947 151 D CB 0.076 40.809 40.800 -0.112 0.000 0.941 151 D HN 0.718 nan 8.370 nan 0.000 0.333 152 G N 0.506 109.296 108.800 -0.017 0.000 2.189 152 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.267 152 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.267 152 G C 1.180 176.063 174.900 -0.029 0.000 0.975 152 G CA 1.076 46.175 45.100 -0.001 0.000 0.644 152 G HN 0.485 nan 8.290 nan 0.000 0.537 153 R N -0.810 119.649 120.500 -0.068 0.000 2.310 153 R HA 0.159 4.498 4.340 -0.000 0.000 0.199 153 R C 1.012 177.287 176.300 -0.042 0.000 0.891 153 R CA 0.618 56.678 56.100 -0.067 0.000 1.060 153 R CB 0.336 30.520 30.300 -0.194 0.000 1.188 153 R HN 0.233 nan 8.270 nan 0.000 0.607 154 D N 0.613 120.968 120.400 -0.075 0.000 2.369 154 D HA 0.070 4.710 4.640 -0.000 0.000 0.211 154 D C 0.419 176.692 176.300 -0.045 0.000 1.077 154 D CA 0.477 54.425 54.000 -0.088 0.000 0.842 154 D CB 1.211 41.949 40.800 -0.104 0.000 0.947 154 D HN 0.124 nan 8.370 nan 0.000 0.509 155 V N -3.745 116.162 119.914 -0.012 0.000 3.112 155 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 155 V C 0.495 176.623 176.094 0.056 0.000 1.364 155 V CA -1.064 61.259 62.300 0.039 0.000 1.058 155 V CB 0.680 32.556 31.823 0.087 0.000 1.079 155 V HN -0.044 nan 8.190 nan 0.000 0.463 156 G N 0.939 109.783 108.800 0.073 0.000 2.391 156 G HA2 0.363 4.323 3.960 -0.000 0.000 0.234 156 G HA3 0.363 4.323 3.960 -0.000 0.000 0.234 156 G C -0.954 173.970 174.900 0.039 0.000 1.284 156 G CA -0.018 45.108 45.100 0.043 0.000 0.873 156 G HN 0.823 nan 8.290 nan 0.000 0.549 157 P HA -0.091 nan 4.420 nan 0.000 0.225 157 P C 0.450 177.726 177.300 -0.040 0.000 1.148 157 P CA 1.184 64.284 63.100 -0.001 0.000 0.779 157 P CB 0.449 32.145 31.700 -0.007 0.000 0.780 158 Q N -0.492 119.246 119.800 -0.104 0.000 2.506 158 Q HA 0.158 4.498 4.340 -0.000 0.000 0.380 158 Q C 0.378 176.423 176.000 0.074 0.000 0.867 158 Q CA -0.038 55.692 55.803 -0.121 0.000 1.093 158 Q CB 0.531 28.931 28.738 -0.564 0.000 1.388 158 Q HN 0.155 nan 8.270 nan 0.000 0.400 159 T N -4.527 110.112 114.554 0.141 0.000 3.054 159 T HA 0.249 4.598 4.350 -0.000 0.000 0.255 159 T C 1.796 176.596 174.700 0.167 0.000 1.035 159 T CA 0.458 62.627 62.100 0.116 0.000 0.941 159 T CB 0.418 69.373 68.868 0.146 0.000 1.026 159 T HN 0.246 nan 8.240 nan 0.000 0.533 160 A N 3.087 126.075 122.820 0.281 0.000 1.927 160 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 160 A C 0.119 177.794 177.584 0.151 0.000 1.185 160 A CA 1.474 53.679 52.037 0.280 0.000 0.639 160 A CB -1.689 17.438 19.000 0.212 0.000 0.820 160 A HN 0.454 nan 8.150 nan 0.000 0.451 161 P HA -0.186 nan 4.420 nan 0.000 0.216 161 P C 1.413 178.696 177.300 -0.028 0.000 1.150 161 P CA 1.602 64.708 63.100 0.011 0.000 0.843 161 P CB -0.114 31.595 31.700 0.015 0.000 0.787 162 Q N -2.135 117.592 119.800 -0.121 0.000 2.119 162 Q HA -0.178 4.162 4.340 -0.000 0.000 0.201 162 Q C 1.893 177.759 176.000 -0.223 0.000 0.972 162 Q CA 1.368 57.031 55.803 -0.233 0.000 0.847 162 Q CB -0.568 27.925 28.738 -0.408 0.000 0.903 162 Q HN 0.370 nan 8.270 nan 0.000 0.433 163 Y N 0.169 120.506 120.300 0.063 0.000 2.263 163 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 163 Y C 1.973 177.931 175.900 0.096 0.000 1.130 163 Y CA 0.527 58.679 58.100 0.086 0.000 1.179 163 Y CB -0.176 38.322 38.460 0.063 0.000 0.998 163 Y HN 0.061 nan 8.280 nan 0.000 0.532 164 I N 0.100 120.784 120.570 0.189 0.000 2.252 164 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 164 I C 2.524 178.689 176.117 0.080 0.000 1.102 164 I CA 1.492 62.866 61.300 0.124 0.000 1.385 164 I CB -0.318 37.725 38.000 0.070 0.000 1.064 164 I HN 0.127 nan 8.210 nan 0.000 0.414 165 K N 1.144 121.570 120.400 0.042 0.000 2.026 165 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 165 K C 2.114 178.721 176.600 0.011 0.000 1.048 165 K CA 1.793 58.086 56.287 0.010 0.000 0.929 165 K CB -0.087 32.404 32.500 -0.015 0.000 0.713 165 K HN 0.269 nan 8.250 nan 0.000 0.439 166 E N 0.392 120.619 120.200 0.045 0.000 2.077 166 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 166 E C 2.081 178.687 176.600 0.010 0.000 0.989 166 E CA 0.887 57.311 56.400 0.039 0.000 0.800 166 E CB -0.050 29.741 29.700 0.152 0.000 0.746 166 E HN 0.259 nan 8.360 nan 0.000 0.452 167 L N 1.341 122.655 121.223 0.152 0.000 2.046 167 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 167 L C 2.122 179.003 176.870 0.017 0.000 1.077 167 L CA 1.829 56.771 54.840 0.170 0.000 0.747 167 L CB -0.455 41.754 42.059 0.249 0.000 0.896 167 L HN 0.153 nan 8.230 nan 0.000 0.432 168 Q N -0.566 119.240 119.800 0.011 0.000 2.124 168 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 168 Q C 2.056 178.008 176.000 -0.079 0.000 0.977 168 Q CA 1.976 57.766 55.803 -0.021 0.000 0.850 168 Q CB -0.175 28.557 28.738 -0.009 0.000 0.901 168 Q HN 0.669 nan 8.270 nan 0.000 0.429 169 E N 0.402 120.534 120.200 -0.114 0.000 2.072 169 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 169 E C 1.937 178.367 176.600 -0.283 0.000 0.985 169 E CA 0.681 56.980 56.400 -0.169 0.000 0.801 169 E CB 0.128 29.731 29.700 -0.161 0.000 0.750 169 E HN 0.128 nan 8.360 nan 0.000 0.452 170 K N 0.793 120.959 120.400 -0.390 0.000 2.097 170 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 170 K C 2.123 178.445 176.600 -0.464 0.000 1.050 170 K CA 0.824 56.720 56.287 -0.652 0.000 0.938 170 K CB -0.354 31.653 32.500 -0.821 0.000 0.718 170 K HN 0.220 nan 8.250 nan 0.000 0.442 171 I N 1.235 121.692 120.570 -0.189 0.000 2.179 171 I HA -0.305 3.864 4.170 -0.000 0.000 0.242 171 I C 2.249 178.318 176.117 -0.080 0.000 1.088 171 I CA 1.435 62.700 61.300 -0.058 0.000 1.357 171 I CB -0.163 37.826 38.000 -0.018 0.000 1.051 171 I HN 0.171 nan 8.210 nan 0.000 0.409 172 K N 0.284 120.616 120.400 -0.115 0.000 2.057 172 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 172 K C 2.080 178.609 176.600 -0.118 0.000 1.049 172 K CA 1.463 57.693 56.287 -0.095 0.000 0.931 172 K CB -0.168 32.277 32.500 -0.091 0.000 0.714 172 K HN 0.313 nan 8.250 nan 0.000 0.440 173 E N -0.030 120.037 120.200 -0.222 0.000 2.072 173 E HA -0.184 4.165 4.350 -0.000 0.000 0.191 173 E C 1.470 177.992 176.600 -0.130 0.000 0.985 173 E CA 1.162 57.414 56.400 -0.247 0.000 0.801 173 E CB 0.071 29.507 29.700 -0.439 0.000 0.750 173 E HN 0.303 nan 8.360 nan 0.000 0.452 174 Y N -0.615 119.638 120.300 -0.079 0.000 2.516 174 Y HA 0.200 4.750 4.550 -0.000 0.000 0.291 174 Y C 1.764 177.629 175.900 -0.058 0.000 1.131 174 Y CA 0.750 58.810 58.100 -0.067 0.000 1.281 174 Y CB -0.003 38.415 38.460 -0.069 0.000 1.013 174 Y HN 0.240 nan 8.280 nan 0.000 0.554 175 G N 0.327 109.173 108.800 0.077 0.000 2.143 175 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.248 175 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.248 175 G C -0.123 174.784 174.900 0.012 0.000 0.991 175 G CA 0.330 45.445 45.100 0.026 0.000 0.689 175 G HN 0.631 nan 8.290 nan 0.000 0.522 176 V N -4.010 115.920 119.914 0.026 0.000 3.087 176 V HA 1.034 5.154 4.120 -0.000 0.000 0.306 176 V C 0.453 176.533 176.094 -0.024 0.000 1.187 176 V CA -0.150 62.137 62.300 -0.022 0.000 0.999 176 V CB 1.654 33.453 31.823 -0.039 0.000 1.049 176 V HN 2.312 nan 8.190 nan 0.000 0.431 177 G N 1.270 110.017 108.800 -0.088 0.000 2.697 177 G HA2 0.321 4.280 3.960 -0.000 0.000 0.686 177 G HA3 0.321 4.280 3.960 -0.000 0.000 0.686 177 G C -1.022 173.851 174.900 -0.045 0.000 1.179 177 G CA 0.010 45.060 45.100 -0.084 0.000 0.765 177 G HN 1.821 nan 8.290 nan 0.000 0.649 178 E N 0.335 120.527 120.200 -0.014 0.000 2.347 178 E HA 0.468 4.818 4.350 -0.000 0.000 0.285 178 E C -0.153 176.511 176.600 0.106 0.000 0.925 178 E CA -1.018 55.426 56.400 0.073 0.000 0.779 178 E CB 1.271 31.060 29.700 0.148 0.000 1.233 178 E HN 0.650 nan 8.360 nan 0.000 0.414 179 I N 4.089 124.702 120.570 0.071 0.000 2.517 179 I HA 0.132 4.302 4.170 -0.000 0.000 0.285 179 I C 0.915 177.051 176.117 0.032 0.000 1.106 179 I CA 0.296 61.623 61.300 0.045 0.000 1.402 179 I CB 1.176 39.205 38.000 0.048 0.000 1.399 179 I HN 0.728 nan 8.210 nan 0.000 0.535 180 A N 4.950 127.738 122.820 -0.053 0.000 1.963 180 A HA 0.191 4.511 4.320 -0.000 0.000 0.207 180 A C 0.872 178.455 177.584 -0.002 0.000 1.243 180 A CA 0.907 52.898 52.037 -0.076 0.000 0.728 180 A CB 0.212 19.073 19.000 -0.233 0.000 0.895 180 A HN 0.689 nan 8.150 nan 0.000 0.467 181 T N -2.840 111.723 114.554 0.016 0.000 2.883 181 T HA 0.690 5.040 4.350 -0.000 0.000 0.301 181 T C -1.186 173.604 174.700 0.150 0.000 1.158 181 T CA -0.627 61.560 62.100 0.146 0.000 1.007 181 T CB 1.322 70.367 68.868 0.294 0.000 1.186 181 T HN 0.180 nan 8.240 nan 0.000 0.499 182 L N 2.038 123.350 121.223 0.149 0.000 2.438 182 L HA 0.744 5.084 4.340 -0.000 0.000 0.270 182 L C -0.523 176.439 176.870 0.154 0.000 0.972 182 L CA -0.851 54.078 54.840 0.148 0.000 0.831 182 L CB 2.337 44.446 42.059 0.083 0.000 1.273 182 L HN 1.082 nan 8.230 nan 0.000 0.405 183 S N 0.750 116.573 115.700 0.206 0.000 2.548 183 S HA 0.710 5.179 4.470 -0.000 0.000 0.276 183 S C -0.215 174.485 174.600 0.166 0.000 1.129 183 S CA -0.701 57.594 58.200 0.158 0.000 0.931 183 S CB 1.831 65.097 63.200 0.110 0.000 1.068 183 S HN 0.722 nan 8.310 nan 0.000 0.480 184 G N 1.543 110.462 108.800 0.198 0.000 2.432 184 G HA2 0.304 4.264 3.960 -0.000 0.000 0.239 184 G HA3 0.304 4.264 3.960 -0.000 0.000 0.239 184 G C 0.970 175.907 174.900 0.062 0.000 1.291 184 G CA -0.764 44.427 45.100 0.151 0.000 0.863 184 G HN 0.989 nan 8.290 nan 0.000 0.560 185 R N 1.243 121.711 120.500 -0.054 0.000 2.241 185 R HA -0.187 4.153 4.340 -0.000 0.000 0.224 185 R C 1.671 177.856 176.300 -0.192 0.000 1.101 185 R CA 1.251 57.256 56.100 -0.158 0.000 0.995 185 R CB -0.478 29.717 30.300 -0.175 0.000 0.870 185 R HN 0.618 nan 8.270 nan 0.000 0.463 186 Y N 0.960 121.059 120.300 -0.335 0.000 2.256 186 Y HA -0.248 4.302 4.550 -0.000 0.000 0.288 186 Y C 1.069 176.657 175.900 -0.519 0.000 1.155 186 Y CA 1.451 59.288 58.100 -0.437 0.000 1.203 186 Y CB 0.018 38.186 38.460 -0.486 0.000 0.980 186 Y HN -0.001 nan 8.280 nan 0.000 0.530 187 Y N -1.668 118.598 120.300 -0.056 0.000 2.353 187 Y HA -0.021 4.529 4.550 -0.000 0.000 0.294 187 Y C 2.777 178.506 175.900 -0.286 0.000 1.135 187 Y CA 0.995 59.006 58.100 -0.147 0.000 1.176 187 Y CB -0.754 37.674 38.460 -0.053 0.000 1.124 187 Y HN 0.094 nan 8.280 nan 0.000 0.537 188 S N -0.679 114.857 115.700 -0.274 0.000 2.496 188 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 188 S C 1.016 175.263 174.600 -0.588 0.000 0.996 188 S CA 0.592 58.393 58.200 -0.666 0.000 0.927 188 S CB -0.275 61.975 63.200 -1.583 0.000 0.774 188 S HN 0.354 nan 8.310 nan 0.000 0.524 189 M N 2.090 121.444 119.600 -0.410 0.000 3.075 189 M HA 0.363 4.843 4.480 -0.000 0.000 0.340 189 M C -0.852 175.282 176.300 -0.278 0.000 1.329 189 M CA -0.323 54.803 55.300 -0.290 0.000 0.778 189 M CB 0.751 33.184 32.600 -0.278 0.000 1.389 189 M HN 0.105 nan 8.290 nan 0.000 0.499 190 D N 1.025 121.243 120.400 -0.303 0.000 2.304 190 D HA 0.201 4.840 4.640 -0.000 0.000 0.247 190 D C 0.952 177.087 176.300 -0.274 0.000 1.089 190 D CA 0.037 53.835 54.000 -0.336 0.000 0.910 190 D CB 0.943 41.489 40.800 -0.423 0.000 1.199 190 D HN 0.493 nan 8.370 nan 0.000 0.426 191 R N 1.071 121.438 120.500 -0.222 0.000 2.572 191 R HA 0.261 4.601 4.340 -0.000 0.000 0.370 191 R C -0.525 175.688 176.300 -0.146 0.000 1.005 191 R CA -0.382 55.625 56.100 -0.155 0.000 1.146 191 R CB 0.319 30.588 30.300 -0.051 0.000 1.390 191 R HN 0.167 nan 8.270 nan 0.000 0.553 192 D N 1.924 122.202 120.400 -0.204 0.000 2.424 192 D HA 0.133 4.773 4.640 -0.000 0.000 0.220 192 D C -0.380 175.779 176.300 -0.234 0.000 1.150 192 D CA -0.094 53.809 54.000 -0.162 0.000 0.831 192 D CB 0.511 41.238 40.800 -0.122 0.000 0.981 192 D HN 0.164 nan 8.370 nan 0.000 0.500 193 K N 0.635 120.797 120.400 -0.398 0.000 3.071 193 K HA -0.178 4.142 4.320 -0.000 0.000 0.265 193 K C -0.435 175.795 176.600 -0.616 0.000 1.060 193 K CA 0.373 56.305 56.287 -0.592 0.000 0.767 193 K CB -0.673 31.745 32.500 -0.135 0.000 1.241 193 K HN -0.004 nan 8.250 nan 0.000 0.486 194 R N 0.108 120.265 120.500 -0.573 0.000 2.825 194 R HA 0.072 4.412 4.340 -0.000 0.000 0.261 194 R C 0.349 176.435 176.300 -0.357 0.000 1.341 194 R CA -0.222 55.673 56.100 -0.342 0.000 1.353 194 R CB -0.506 29.618 30.300 -0.292 0.000 1.191 194 R HN 0.297 nan 8.270 nan 0.000 0.590 195 W N 0.409 121.701 121.300 -0.013 0.000 2.468 195 W HA -0.115 4.544 4.660 -0.000 0.000 0.262 195 W C 1.019 177.483 176.519 -0.092 0.000 1.241 195 W CA 0.424 57.787 57.345 0.029 0.000 1.232 195 W CB 0.180 29.726 29.460 0.142 0.000 1.124 195 W HN 0.350 nan 8.180 nan 0.000 0.597 196 D N -0.250 120.188 120.400 0.063 0.000 2.178 196 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 196 D C 2.048 178.340 176.300 -0.014 0.000 0.974 196 D CA 1.093 55.083 54.000 -0.016 0.000 0.841 196 D CB -0.271 40.536 40.800 0.012 0.000 0.953 196 D HN 0.236 nan 8.370 nan 0.000 0.478 197 R N 0.197 120.693 120.500 -0.007 0.000 2.062 197 R HA -0.017 4.322 4.340 -0.000 0.000 0.229 197 R C 2.388 178.724 176.300 0.060 0.000 1.128 197 R CA 0.644 56.800 56.100 0.094 0.000 0.960 197 R CB -0.435 29.762 30.300 -0.172 0.000 0.855 197 R HN 0.062 nan 8.270 nan 0.000 0.432 198 V N 1.564 121.451 119.914 -0.045 0.000 2.287 198 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 198 V C 2.347 178.435 176.094 -0.011 0.000 1.053 198 V CA 2.143 64.447 62.300 0.007 0.000 1.027 198 V CB -0.581 31.337 31.823 0.158 0.000 0.646 198 V HN 0.412 nan 8.190 nan 0.000 0.447 199 E N 0.392 120.437 120.200 -0.259 0.000 2.118 199 E HA -0.320 4.029 4.350 -0.000 0.000 0.195 199 E C 2.231 178.733 176.600 -0.163 0.000 0.992 199 E CA 1.785 57.836 56.400 -0.581 0.000 0.804 199 E CB -0.105 28.967 29.700 -1.047 0.000 0.741 199 E HN 0.577 nan 8.360 nan 0.000 0.458 200 K N -0.025 120.310 120.400 -0.109 0.000 2.057 200 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 200 K C 1.942 178.503 176.600 -0.065 0.000 1.049 200 K CA 1.360 57.587 56.287 -0.099 0.000 0.931 200 K CB -0.196 32.202 32.500 -0.170 0.000 0.714 200 K HN 0.202 nan 8.250 nan 0.000 0.440 201 A N -0.171 122.633 122.820 -0.027 0.000 1.898 201 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 201 A C 2.073 179.677 177.584 0.034 0.000 1.181 201 A CA 1.382 53.406 52.037 -0.023 0.000 0.620 201 A CB -0.920 18.028 19.000 -0.087 0.000 0.819 201 A HN 0.542 nan 8.150 nan 0.000 0.442 202 Y N 0.737 121.003 120.300 -0.057 0.000 2.128 202 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 202 Y C 2.473 178.397 175.900 0.039 0.000 1.154 202 Y CA 2.225 60.293 58.100 -0.053 0.000 1.149 202 Y CB -0.249 38.187 38.460 -0.040 0.000 0.976 202 Y HN 0.234 nan 8.280 nan 0.000 0.505 203 R N -0.190 120.385 120.500 0.125 0.000 2.189 203 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 203 R C 2.392 178.736 176.300 0.073 0.000 1.092 203 R CA 0.768 56.965 56.100 0.161 0.000 0.989 203 R CB -0.432 29.972 30.300 0.174 0.000 0.876 203 R HN 0.456 nan 8.270 nan 0.000 0.457 204 A N 1.001 123.834 122.820 0.021 0.000 1.897 204 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 204 A C 2.101 179.700 177.584 0.025 0.000 1.181 204 A CA 1.033 53.088 52.037 0.030 0.000 0.620 204 A CB -0.242 18.777 19.000 0.031 0.000 0.821 204 A HN 0.147 nan 8.150 nan 0.000 0.443 205 M N -0.910 118.677 119.600 -0.022 0.000 2.349 205 M HA -0.050 4.430 4.480 -0.000 0.000 0.266 205 M C 1.752 177.952 176.300 -0.167 0.000 1.076 205 M CA 0.995 56.253 55.300 -0.070 0.000 1.126 205 M CB -0.003 32.509 32.600 -0.148 0.000 1.392 205 M HN 0.252 nan 8.290 nan 0.000 0.440 206 V N -2.095 117.636 119.914 -0.305 0.000 2.795 206 V HA -0.094 4.026 4.120 -0.000 0.000 0.243 206 V C 1.030 176.817 176.094 -0.512 0.000 1.069 206 V CA 1.093 63.099 62.300 -0.490 0.000 1.089 206 V CB -0.215 31.067 31.823 -0.901 0.000 0.756 206 V HN 0.339 nan 8.190 nan 0.000 0.471 207 Y N 0.363 120.598 120.300 -0.108 0.000 2.481 207 Y HA 0.508 5.058 4.550 -0.000 0.000 0.247 207 Y C 1.843 177.725 175.900 -0.029 0.000 1.151 207 Y CA 0.201 58.274 58.100 -0.045 0.000 1.238 207 Y CB 0.372 38.817 38.460 -0.025 0.000 1.179 207 Y HN 0.275 nan 8.280 nan 0.000 0.524 208 G N 1.203 110.048 108.800 0.075 0.000 2.249 208 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.273 208 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.273 208 G C -0.216 174.718 174.900 0.057 0.000 1.036 208 G CA 0.108 45.242 45.100 0.056 0.000 0.824 208 G HN 0.439 nan 8.290 nan 0.000 0.504 209 E N -0.182 120.059 120.200 0.069 0.000 2.146 209 E HA 0.593 4.943 4.350 -0.000 0.000 0.282 209 E C 0.638 177.241 176.600 0.004 0.000 0.989 209 E CA 0.246 56.665 56.400 0.032 0.000 0.799 209 E CB 1.482 31.200 29.700 0.030 0.000 1.088 209 E HN 1.079 nan 8.360 nan 0.000 0.397 210 G N 3.235 112.026 108.800 -0.015 0.000 2.356 210 G HA2 0.029 3.989 3.960 -0.000 0.000 0.300 210 G HA3 0.029 3.989 3.960 -0.000 0.000 0.300 210 G C -3.023 171.859 174.900 -0.030 0.000 1.331 210 G CA -1.226 43.856 45.100 -0.029 0.000 0.905 210 G HN 0.279 nan 8.290 nan 0.000 0.587 211 P HA 0.299 nan 4.420 nan 0.000 0.264 211 P C 0.289 177.546 177.300 -0.073 0.000 1.193 211 P CA 0.427 63.497 63.100 -0.050 0.000 0.763 211 P CB 0.558 32.312 31.700 0.091 0.000 0.810 212 T N 0.929 115.306 114.554 -0.295 0.000 2.859 212 T HA 0.683 5.033 4.350 -0.000 0.000 0.281 212 T C -0.909 173.445 174.700 -0.577 0.000 1.005 212 T CA -0.636 61.316 62.100 -0.247 0.000 1.025 212 T CB 0.712 69.490 68.868 -0.150 0.000 0.977 212 T HN 0.206 nan 8.240 nan 0.000 0.458 213 Y N -0.076 120.222 120.300 -0.003 0.000 2.544 213 Y HA 0.489 5.039 4.550 -0.000 0.000 0.342 213 Y C 1.137 177.039 175.900 0.003 0.000 1.062 213 Y CA -1.388 56.711 58.100 -0.002 0.000 1.023 213 Y CB 1.955 40.412 38.460 -0.005 0.000 1.308 213 Y HN 0.412 nan 8.280 nan 0.000 0.457 214 R N 0.302 120.891 120.500 0.149 0.000 2.127 214 R HA -0.011 4.329 4.340 -0.000 0.000 0.217 214 R C -0.475 175.881 176.300 0.093 0.000 1.074 214 R CA 0.833 56.988 56.100 0.091 0.000 0.991 214 R CB 0.151 30.488 30.300 0.061 0.000 0.895 214 R HN 0.637 nan 8.270 nan 0.000 0.450 215 D N -0.064 120.404 120.400 0.112 0.000 2.344 215 D HA 0.202 4.842 4.640 -0.000 0.000 0.239 215 D C -2.036 174.279 176.300 0.024 0.000 1.064 215 D CA -2.596 51.441 54.000 0.061 0.000 0.829 215 D CB 2.078 42.904 40.800 0.043 0.000 1.129 215 D HN -0.236 nan 8.370 nan 0.000 0.506 216 P HA -0.095 nan 4.420 nan 0.000 0.216 216 P C 1.572 178.811 177.300 -0.102 0.000 1.150 216 P CA 0.974 64.053 63.100 -0.035 0.000 0.843 216 P CB 0.303 32.004 31.700 0.001 0.000 0.787 217 L N -0.671 120.506 121.223 -0.077 0.000 2.141 217 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 217 L C 2.246 179.021 176.870 -0.158 0.000 1.094 217 L CA 1.391 56.167 54.840 -0.105 0.000 0.763 217 L CB -0.820 41.203 42.059 -0.059 0.000 0.908 217 L HN 0.060 nan 8.230 nan 0.000 0.437 218 E N -0.724 119.394 120.200 -0.136 0.000 2.208 218 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 218 E C 2.291 178.640 176.600 -0.418 0.000 0.988 218 E CA 1.219 57.533 56.400 -0.143 0.000 0.828 218 E CB -0.194 29.512 29.700 0.011 0.000 0.763 218 E HN 0.565 nan 8.360 nan 0.000 0.478 219 C N 0.852 119.736 119.300 -0.694 0.000 2.432 219 C HA -0.128 4.331 4.460 -0.000 0.000 0.277 219 C C 2.593 177.176 174.990 -0.678 0.000 1.249 219 C CA 0.528 58.756 59.018 -1.317 0.000 1.725 219 C CB -0.762 26.487 27.740 -0.819 0.000 2.028 219 C HN 0.392 nan 8.230 nan 0.000 0.477 220 I N 1.383 121.682 120.570 -0.453 0.000 2.315 220 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 220 I C 2.433 178.173 176.117 -0.627 0.000 1.117 220 I CA 1.836 62.845 61.300 -0.485 0.000 1.404 220 I CB -0.635 37.088 38.000 -0.462 0.000 1.071 220 I HN 0.463 nan 8.210 nan 0.000 0.419 221 E N -0.268 119.681 120.200 -0.418 0.000 2.072 221 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 221 E C 1.735 178.308 176.600 -0.044 0.000 0.985 221 E CA 1.355 57.621 56.400 -0.223 0.000 0.801 221 E CB -0.248 29.395 29.700 -0.096 0.000 0.750 221 E HN 0.492 nan 8.360 nan 0.000 0.452 222 D N 0.388 120.748 120.400 -0.068 0.000 2.117 222 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 222 D C 2.056 178.463 176.300 0.178 0.000 0.987 222 D CA 1.022 55.083 54.000 0.101 0.000 0.829 222 D CB -0.119 40.760 40.800 0.131 0.000 0.961 222 D HN -0.049 nan 8.370 nan 0.000 0.460 223 S N -1.463 114.253 115.700 0.027 0.000 2.368 223 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 223 S C 1.886 176.667 174.600 0.303 0.000 1.030 223 S CA 0.750 59.012 58.200 0.103 0.000 0.999 223 S CB -0.454 62.773 63.200 0.045 0.000 0.844 223 S HN 0.280 nan 8.310 nan 0.000 0.459 224 Y N 1.822 122.219 120.300 0.162 0.000 2.207 224 Y HA 0.011 4.561 4.550 -0.000 0.000 0.287 224 Y C 2.297 178.317 175.900 0.200 0.000 1.156 224 Y CA 0.766 59.020 58.100 0.255 0.000 1.182 224 Y CB -0.797 37.810 38.460 0.246 0.000 0.979 224 Y HN 0.347 nan 8.280 nan 0.000 0.521 225 K N -0.855 119.746 120.400 0.336 0.000 2.280 225 K HA -0.164 4.156 4.320 -0.000 0.000 0.202 225 K C 0.943 177.577 176.600 0.056 0.000 1.047 225 K CA 1.345 57.740 56.287 0.180 0.000 0.942 225 K CB -0.241 32.343 32.500 0.140 0.000 0.739 225 K HN 0.424 nan 8.250 nan 0.000 0.457 226 H N -1.115 117.995 119.070 0.067 0.000 2.529 226 H HA 0.157 4.713 4.556 -0.000 0.000 0.277 226 H C 0.952 176.239 175.328 -0.068 0.000 1.004 226 H CA 0.481 56.534 56.048 0.009 0.000 1.167 226 H CB 0.810 30.580 29.762 0.014 0.000 1.445 226 H HN 0.363 nan 8.280 nan 0.000 0.554 227 G N 0.834 109.621 108.800 -0.022 0.000 2.148 227 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 227 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 227 G C 0.129 174.631 174.900 -0.664 0.000 0.981 227 G CA 0.205 45.114 45.100 -0.318 0.000 0.670 227 G HN 0.386 nan 8.290 nan 0.000 0.528 228 I N 1.364 121.724 120.570 -0.349 0.000 2.306 228 I HA 0.408 4.578 4.170 -0.000 0.000 0.288 228 I C 0.296 176.396 176.117 -0.028 0.000 1.036 228 I CA -1.147 60.022 61.300 -0.218 0.000 1.221 228 I CB 0.380 38.380 38.000 -0.000 0.000 1.385 228 I HN -0.016 nan 8.210 nan 0.000 0.472 229 Y N 3.753 124.216 120.300 0.270 0.000 2.408 229 Y HA 0.174 4.724 4.550 -0.000 0.000 0.324 229 Y C 1.518 177.580 175.900 0.269 0.000 1.302 229 Y CA -1.160 57.097 58.100 0.262 0.000 1.384 229 Y CB 0.170 38.673 38.460 0.072 0.000 1.367 229 Y HN 0.494 nan 8.280 nan 0.000 0.525 230 D N 0.159 120.828 120.400 0.448 0.000 2.412 230 D HA -0.323 4.317 4.640 -0.000 0.000 0.191 230 D C 1.782 178.110 176.300 0.047 0.000 1.019 230 D CA 2.288 56.431 54.000 0.238 0.000 0.866 230 D CB -0.408 40.506 40.800 0.189 0.000 0.966 230 D HN 0.832 nan 8.370 nan 0.000 0.459 231 E N -0.771 119.329 120.200 -0.168 0.000 2.171 231 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 231 E C 1.153 177.382 176.600 -0.619 0.000 0.997 231 E CA 0.895 56.976 56.400 -0.532 0.000 0.810 231 E CB -0.093 29.018 29.700 -0.982 0.000 0.738 231 E HN 0.333 nan 8.360 nan 0.000 0.467 232 F N -0.120 119.846 119.950 0.026 0.000 2.653 232 F HA 0.214 4.741 4.527 -0.000 0.000 0.304 232 F C 0.175 176.075 175.800 0.168 0.000 1.092 232 F CA -0.503 57.479 58.000 -0.030 0.000 1.279 232 F CB 0.451 39.319 39.000 -0.220 0.000 1.044 232 F HN -0.251 nan 8.300 nan 0.000 0.564 233 V N 3.393 123.470 119.914 0.271 0.000 2.557 233 V HA -0.135 3.984 4.120 -0.000 0.000 0.301 233 V C 0.766 176.978 176.094 0.196 0.000 1.026 233 V CA -0.323 62.102 62.300 0.208 0.000 1.137 233 V CB 0.141 32.050 31.823 0.143 0.000 0.917 233 V HN 0.175 nan 8.190 nan 0.000 0.484 234 L N 7.625 128.884 121.223 0.060 0.000 2.485 234 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 234 L C -2.023 174.764 176.870 -0.139 0.000 1.207 234 L CA -1.407 53.324 54.840 -0.182 0.000 0.855 234 L CB 0.243 42.212 42.059 -0.151 0.000 1.114 234 L HN 0.454 nan 8.230 nan 0.000 0.485 235 P HA -0.005 nan 4.420 nan 0.000 0.258 235 P C -1.014 176.273 177.300 -0.022 0.000 1.187 235 P CA 0.524 63.571 63.100 -0.089 0.000 0.767 235 P CB 0.538 32.158 31.700 -0.133 0.000 0.770 236 S N 1.863 117.594 115.700 0.052 0.000 2.568 236 S HA 0.555 5.025 4.470 -0.000 0.000 0.302 236 S C -0.366 174.305 174.600 0.118 0.000 1.082 236 S CA -0.724 57.538 58.200 0.103 0.000 1.009 236 S CB 1.415 64.712 63.200 0.161 0.000 1.069 236 S HN 0.057 nan 8.310 nan 0.000 0.500 237 V N 3.306 123.292 119.914 0.119 0.000 2.384 237 V HA 0.395 4.515 4.120 -0.000 0.000 0.287 237 V C -0.535 175.626 176.094 0.111 0.000 1.020 237 V CA -0.772 61.587 62.300 0.099 0.000 0.850 237 V CB 1.266 33.124 31.823 0.059 0.000 0.987 237 V HN 0.699 nan 8.190 nan 0.000 0.436 238 I N 6.152 126.780 120.570 0.098 0.000 2.395 238 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 238 I C 0.309 176.461 176.117 0.058 0.000 1.023 238 I CA 0.091 61.447 61.300 0.094 0.000 1.350 238 I CB 1.343 39.389 38.000 0.076 0.000 1.409 238 I HN 0.509 nan 8.210 nan 0.000 0.507 239 V N 5.257 125.203 119.914 0.053 0.000 2.994 239 V HA 0.674 4.794 4.120 -0.000 0.000 0.318 239 V C 0.262 176.375 176.094 0.031 0.000 1.085 239 V CA -1.147 61.170 62.300 0.029 0.000 0.998 239 V CB 1.895 33.725 31.823 0.012 0.000 1.063 239 V HN 0.689 nan 8.190 nan 0.000 0.447 240 R N 0.211 120.724 120.500 0.023 0.000 2.541 240 R HA 0.363 4.703 4.340 -0.000 0.000 0.254 240 R C 1.231 177.543 176.300 0.020 0.000 1.130 240 R CA -0.272 55.843 56.100 0.025 0.000 1.152 240 R CB 0.644 30.959 30.300 0.025 0.000 1.222 240 R HN 0.946 nan 8.270 nan 0.000 0.579 241 E N 0.938 121.150 120.200 0.020 0.000 2.171 241 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 241 E C 0.552 177.159 176.600 0.012 0.000 0.997 241 E CA 1.896 58.306 56.400 0.016 0.000 0.810 241 E CB 0.046 29.756 29.700 0.016 0.000 0.738 241 E HN 0.560 nan 8.360 nan 0.000 0.467 242 D N -1.718 118.689 120.400 0.012 0.000 2.328 242 D HA 0.053 4.692 4.640 -0.000 0.000 0.226 242 D C 1.229 177.533 176.300 0.005 0.000 1.066 242 D CA 0.776 54.782 54.000 0.009 0.000 0.861 242 D CB 0.264 41.071 40.800 0.010 0.000 0.912 242 D HN 0.304 nan 8.370 nan 0.000 0.521 243 G N 0.002 108.805 108.800 0.005 0.000 2.225 243 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.254 243 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.254 243 G C 0.373 175.273 174.900 -0.000 0.000 0.988 243 G CA -0.146 44.953 45.100 -0.001 0.000 0.625 243 G HN 0.343 nan 8.290 nan 0.000 0.527 244 R N 0.927 121.430 120.500 0.004 0.000 2.582 244 R HA 0.415 4.754 4.340 -0.000 0.000 0.271 244 R C -2.454 173.847 176.300 0.001 0.000 1.078 244 R CA -2.051 54.052 56.100 0.004 0.000 1.127 244 R CB -0.243 30.061 30.300 0.005 0.000 1.038 244 R HN 0.154 nan 8.270 nan 0.000 0.500 245 P HA -0.022 nan 4.420 nan 0.000 0.269 245 P C 0.942 178.223 177.300 -0.031 0.000 1.209 245 P CA -0.055 63.041 63.100 -0.006 0.000 0.776 245 P CB 0.562 32.260 31.700 -0.004 0.000 0.876 246 V N 1.763 121.658 119.914 -0.032 0.000 2.332 246 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 246 V C 0.969 176.918 176.094 -0.242 0.000 1.055 246 V CA 2.596 64.861 62.300 -0.059 0.000 1.038 246 V CB -0.966 30.855 31.823 -0.004 0.000 0.651 246 V HN 0.816 nan 8.190 nan 0.000 0.450 247 A N -0.963 121.700 122.820 -0.262 0.000 2.573 247 A HA 0.593 4.913 4.320 -0.000 0.000 0.299 247 A C -0.320 177.215 177.584 -0.083 0.000 1.060 247 A CA 0.049 51.847 52.037 -0.399 0.000 0.736 247 A CB 1.064 19.297 19.000 -1.278 0.000 1.280 247 A HN 0.245 nan 8.150 nan 0.000 0.401 248 T N -0.269 114.258 114.554 -0.044 0.000 2.912 248 T HA 0.752 5.102 4.350 -0.000 0.000 0.288 248 T C -0.070 174.599 174.700 -0.051 0.000 1.030 248 T CA -0.639 61.440 62.100 -0.034 0.000 1.020 248 T CB 0.983 69.806 68.868 -0.076 0.000 1.056 248 T HN 0.565 nan 8.240 nan 0.000 0.480 249 I N 2.459 122.900 120.570 -0.215 0.000 2.452 249 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 249 I C 0.649 176.715 176.117 -0.086 0.000 1.079 249 I CA -0.175 60.946 61.300 -0.298 0.000 1.387 249 I CB 0.490 38.256 38.000 -0.390 0.000 1.404 249 I HN 0.590 nan 8.210 nan 0.000 0.522 250 Q N 4.155 123.980 119.800 0.042 0.000 2.495 250 Q HA 0.342 4.681 4.340 -0.000 0.000 0.283 250 Q C -1.097 174.956 176.000 0.088 0.000 1.097 250 Q CA -1.196 54.634 55.803 0.045 0.000 0.836 250 Q CB 1.513 30.291 28.738 0.068 0.000 1.426 250 Q HN 0.428 nan 8.270 nan 0.000 0.459 251 D N 1.975 122.421 120.400 0.076 0.000 2.571 251 D HA -0.072 4.568 4.640 -0.000 0.000 0.231 251 D C 0.252 176.660 176.300 0.180 0.000 1.133 251 D CA 0.964 55.038 54.000 0.123 0.000 0.862 251 D CB 0.170 41.050 40.800 0.133 0.000 1.179 251 D HN 0.537 nan 8.370 nan 0.000 0.474 252 N N 0.289 119.137 118.700 0.246 0.000 2.909 252 N HA -0.174 4.566 4.740 -0.000 0.000 0.242 252 N C -0.405 175.346 175.510 0.402 0.000 0.975 252 N CA 0.802 54.046 53.050 0.324 0.000 0.921 252 N CB -0.757 37.848 38.487 0.197 0.000 1.112 252 N HN 0.469 nan 8.380 nan 0.000 0.581 253 D N 0.591 121.176 120.400 0.308 0.000 2.371 253 D HA 0.555 5.195 4.640 -0.000 0.000 0.242 253 D C 0.624 177.112 176.300 0.314 0.000 1.218 253 D CA 0.264 54.460 54.000 0.326 0.000 0.945 253 D CB 0.751 41.776 40.800 0.376 0.000 1.137 253 D HN 0.335 nan 8.370 nan 0.000 0.464 254 A N 0.514 123.497 122.820 0.272 0.000 2.355 254 A HA 0.742 5.062 4.320 -0.000 0.000 0.324 254 A C -0.603 177.051 177.584 0.117 0.000 1.117 254 A CA -0.555 51.594 52.037 0.188 0.000 0.785 254 A CB 0.860 19.920 19.000 0.101 0.000 1.254 254 A HN 0.482 nan 8.150 nan 0.000 0.453 255 I N 1.499 122.054 120.570 -0.025 0.000 2.582 255 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 255 I C -1.099 174.753 176.117 -0.441 0.000 1.066 255 I CA -0.238 60.871 61.300 -0.319 0.000 1.053 255 I CB 2.118 39.730 38.000 -0.648 0.000 1.241 255 I HN 0.491 nan 8.210 nan 0.000 0.421 256 I N 5.892 126.229 120.570 -0.390 0.000 2.411 256 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 256 I C -0.991 174.977 176.117 -0.247 0.000 1.012 256 I CA -0.555 60.617 61.300 -0.214 0.000 1.119 256 I CB 1.626 39.603 38.000 -0.038 0.000 1.261 256 I HN 0.372 nan 8.210 nan 0.000 0.448 257 F N 8.514 128.220 119.950 -0.407 0.000 2.368 257 F HA 0.206 4.733 4.527 -0.000 0.000 0.362 257 F C 0.499 176.395 175.800 0.159 0.000 1.137 257 F CA -1.512 56.369 58.000 -0.198 0.000 1.161 257 F CB 0.312 39.395 39.000 0.139 0.000 1.265 257 F HN 0.403 nan 8.300 nan 0.000 0.530 258 Y N 2.095 122.670 120.300 0.459 0.000 2.506 258 Y HA 0.364 4.914 4.550 -0.000 0.000 0.333 258 Y C -0.332 175.751 175.900 0.305 0.000 1.177 258 Y CA -0.950 57.367 58.100 0.361 0.000 1.292 258 Y CB -1.111 37.515 38.460 0.276 0.000 1.124 258 Y HN 0.256 nan 8.280 nan 0.000 0.507 259 N N 1.261 120.013 118.700 0.086 0.000 2.498 259 N HA 0.199 4.939 4.740 -0.000 0.000 0.287 259 N C -0.262 175.305 175.510 0.095 0.000 1.097 259 N CA -0.772 52.185 53.050 -0.155 0.000 0.973 259 N CB 0.540 38.776 38.487 -0.418 0.000 1.153 259 N HN 0.381 nan 8.380 nan 0.000 0.472 260 F N -0.933 119.158 119.950 0.236 0.000 2.682 260 F HA 0.456 4.982 4.527 -0.000 0.000 0.308 260 F C 0.497 176.433 175.800 0.227 0.000 1.093 260 F CA -0.696 57.467 58.000 0.272 0.000 1.244 260 F CB -0.086 39.044 39.000 0.217 0.000 1.052 260 F HN 0.174 nan 8.300 nan 0.000 0.573 261 R N 3.383 124.007 120.500 0.206 0.000 2.338 261 R HA 0.381 4.721 4.340 -0.000 0.000 0.317 261 R C -1.992 174.364 176.300 0.094 0.000 0.968 261 R CA -1.815 54.391 56.100 0.176 0.000 0.849 261 R CB 1.495 31.720 30.300 -0.125 0.000 1.128 261 R HN -0.111 nan 8.270 nan 0.000 0.448 262 P HA -0.121 nan 4.420 nan 0.000 0.221 262 P C 0.308 177.535 177.300 -0.121 0.000 1.155 262 P CA 0.961 64.046 63.100 -0.025 0.000 0.812 262 P CB 0.175 31.952 31.700 0.128 0.000 0.801 263 D N 1.274 121.716 120.400 0.071 0.000 2.133 263 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 263 D C 1.653 177.932 176.300 -0.034 0.000 0.997 263 D CA 1.382 55.385 54.000 0.005 0.000 0.840 263 D CB -0.965 39.936 40.800 0.168 0.000 0.947 263 D HN 0.220 nan 8.370 nan 0.000 0.452 264 R N -0.319 120.185 120.500 0.007 0.000 2.334 264 R HA 0.415 4.755 4.340 -0.000 0.000 0.220 264 R C 1.504 177.740 176.300 -0.106 0.000 0.917 264 R CA 0.478 56.531 56.100 -0.078 0.000 1.073 264 R CB 0.468 30.677 30.300 -0.152 0.000 1.056 264 R HN 0.271 nan 8.270 nan 0.000 0.506 265 A N 0.375 123.050 122.820 -0.241 0.000 2.140 265 A HA 0.145 4.465 4.320 -0.000 0.000 0.209 265 A C 1.810 179.317 177.584 -0.129 0.000 1.181 265 A CA -0.020 51.819 52.037 -0.330 0.000 0.824 265 A CB 0.121 18.236 19.000 -1.475 0.000 0.879 265 A HN 0.098 nan 8.150 nan 0.000 0.480 266 I N -0.020 120.453 120.570 -0.162 0.000 2.179 266 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 266 I C 2.736 178.929 176.117 0.127 0.000 1.088 266 I CA 1.566 62.866 61.300 0.001 0.000 1.357 266 I CB -0.354 37.615 38.000 -0.051 0.000 1.051 266 I HN 0.409 nan 8.210 nan 0.000 0.409 267 Q N 0.139 119.992 119.800 0.087 0.000 2.030 267 Q HA -0.251 4.088 4.340 -0.000 0.000 0.204 267 Q C 2.341 178.511 176.000 0.283 0.000 0.986 267 Q CA 1.799 57.706 55.803 0.174 0.000 0.843 267 Q CB -0.255 28.370 28.738 -0.187 0.000 0.904 267 Q HN 0.414 nan 8.270 nan 0.000 0.420 268 I N 0.256 120.957 120.570 0.218 0.000 2.394 268 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 268 I C 1.885 178.255 176.117 0.423 0.000 1.136 268 I CA 1.243 62.706 61.300 0.272 0.000 1.425 268 I CB -0.061 38.042 38.000 0.171 0.000 1.079 268 I HN -0.001 nan 8.210 nan 0.000 0.425 269 S N 0.372 116.347 115.700 0.459 0.000 2.368 269 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 269 S C 1.792 176.412 174.600 0.033 0.000 1.029 269 S CA 1.677 60.080 58.200 0.338 0.000 0.988 269 S CB -0.641 62.848 63.200 0.483 0.000 0.838 269 S HN 0.593 nan 8.310 nan 0.000 0.462 270 N N 0.520 119.280 118.700 0.100 0.000 2.166 270 N HA -0.079 4.661 4.740 -0.000 0.000 0.186 270 N C 1.544 176.951 175.510 -0.171 0.000 1.019 270 N CA 1.483 54.553 53.050 0.034 0.000 0.856 270 N CB -0.129 38.470 38.487 0.186 0.000 0.993 270 N HN 0.284 nan 8.380 nan 0.000 0.426 271 T N 0.122 114.502 114.554 -0.290 0.000 2.759 271 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 271 T C 1.299 175.553 174.700 -0.744 0.000 1.042 271 T CA 1.084 62.562 62.100 -1.035 0.000 1.140 271 T CB -0.256 68.181 68.868 -0.719 0.000 0.864 271 T HN 0.178 nan 8.240 nan 0.000 0.455 272 F N 1.290 121.151 119.950 -0.148 0.000 2.335 272 F HA 0.051 4.578 4.527 -0.000 0.000 0.296 272 F C 2.818 178.607 175.800 -0.018 0.000 1.091 272 F CA 1.123 59.167 58.000 0.074 0.000 1.399 272 F CB -0.412 38.722 39.000 0.224 0.000 1.067 272 F HN 0.221 nan 8.300 nan 0.000 0.520 273 T N -3.612 110.926 114.554 -0.026 0.000 3.015 273 T HA 0.076 4.426 4.350 -0.000 0.000 0.250 273 T C 0.903 175.570 174.700 -0.054 0.000 1.057 273 T CA -0.197 61.858 62.100 -0.074 0.000 1.066 273 T CB -0.417 68.306 68.868 -0.241 0.000 0.959 273 T HN -0.083 nan 8.240 nan 0.000 0.488 274 N N 2.535 121.189 118.700 -0.076 0.000 2.454 274 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 274 N C 0.984 176.477 175.510 -0.027 0.000 1.218 274 N CA 0.244 53.270 53.050 -0.041 0.000 0.904 274 N CB 1.262 39.757 38.487 0.014 0.000 1.065 274 N HN 0.587 nan 8.380 nan 0.000 0.462 275 E N 2.247 122.435 120.200 -0.021 0.000 2.028 275 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 275 E C -0.627 175.955 176.600 -0.029 0.000 0.988 275 E CA 0.937 57.328 56.400 -0.016 0.000 0.799 275 E CB 0.167 29.854 29.700 -0.021 0.000 0.755 275 E HN 0.525 nan 8.360 nan 0.000 0.447 276 D N -0.433 119.943 120.400 -0.040 0.000 2.373 276 D HA 0.206 4.846 4.640 -0.000 0.000 0.227 276 D C -1.695 174.565 176.300 -0.067 0.000 1.091 276 D CA -0.234 53.727 54.000 -0.065 0.000 0.840 276 D CB 0.670 41.423 40.800 -0.079 0.000 1.060 276 D HN 0.040 nan 8.370 nan 0.000 0.502 277 F N 2.659 122.418 119.950 -0.317 0.000 2.499 277 F HA 0.328 4.855 4.527 -0.000 0.000 0.333 277 F C 0.964 176.487 175.800 -0.461 0.000 1.138 277 F CA -0.626 57.104 58.000 -0.451 0.000 0.945 277 F CB 1.110 39.744 39.000 -0.610 0.000 1.181 277 F HN 0.196 nan 8.300 nan 0.000 0.435 278 R N 2.314 122.288 120.500 -0.877 0.000 2.373 278 R HA 0.078 4.418 4.340 -0.000 0.000 0.221 278 R C 1.096 176.894 176.300 -0.837 0.000 0.893 278 R CA 0.069 55.766 56.100 -0.672 0.000 1.049 278 R CB 0.327 30.365 30.300 -0.438 0.000 1.119 278 R HN 0.543 nan 8.270 nan 0.000 0.535 279 E N 0.957 120.272 120.200 -1.474 0.000 2.130 279 E HA -0.131 4.218 4.350 -0.000 0.000 0.196 279 E C 0.116 176.368 176.600 -0.581 0.000 0.998 279 E CA 1.496 57.093 56.400 -1.338 0.000 0.806 279 E CB -0.038 28.219 29.700 -2.405 0.000 0.738 279 E HN 0.312 nan 8.360 nan 0.000 0.459 280 F N -3.084 116.543 119.950 -0.538 0.000 2.744 280 F HA 0.363 4.890 4.527 -0.000 0.000 0.311 280 F C -1.454 174.300 175.800 -0.077 0.000 1.144 280 F CA -1.612 56.284 58.000 -0.174 0.000 0.938 280 F CB 1.019 40.005 39.000 -0.024 0.000 1.292 280 F HN -0.387 nan 8.300 nan 0.000 0.444 281 D N 1.985 122.493 120.400 0.180 0.000 2.344 281 D HA 0.251 4.891 4.640 -0.000 0.000 0.253 281 D C 0.865 177.272 176.300 0.178 0.000 1.255 281 D CA 0.026 54.070 54.000 0.073 0.000 0.894 281 D CB 1.016 41.850 40.800 0.057 0.000 1.067 281 D HN 0.674 nan 8.370 nan 0.000 0.492 282 R N 2.366 122.843 120.500 -0.039 0.000 2.237 282 R HA 0.170 4.510 4.340 -0.000 0.000 0.219 282 R C 1.363 177.869 176.300 0.343 0.000 1.080 282 R CA 0.580 56.709 56.100 0.049 0.000 0.995 282 R CB -0.103 29.896 30.300 -0.501 0.000 0.875 282 R HN 0.663 nan 8.270 nan 0.000 0.462 283 G N 0.082 109.006 108.800 0.206 0.000 2.757 283 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.638 283 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.638 283 G C -2.113 172.957 174.900 0.283 0.000 1.344 283 G CA -0.411 44.838 45.100 0.247 0.000 0.855 283 G HN -0.023 nan 8.290 nan 0.000 0.537 284 P HA -0.031 nan 4.420 nan 0.000 0.220 284 P C 1.227 178.658 177.300 0.219 0.000 1.152 284 P CA 1.631 64.852 63.100 0.202 0.000 0.812 284 P CB 0.111 31.901 31.700 0.150 0.000 0.792 285 K N -0.300 120.283 120.400 0.304 0.000 2.505 285 K HA -0.065 4.254 4.320 -0.000 0.000 0.192 285 K C 0.480 177.080 176.600 -0.000 0.000 1.025 285 K CA -0.290 56.060 56.287 0.105 0.000 1.086 285 K CB -0.676 31.826 32.500 0.004 0.000 0.840 285 K HN 0.092 nan 8.250 nan 0.000 0.514 286 H N 2.663 121.784 119.070 0.084 0.000 3.184 286 H HA 0.031 4.587 4.556 -0.000 0.000 0.274 286 H C -2.320 173.035 175.328 0.046 0.000 0.962 286 H CA -1.803 54.301 56.048 0.092 0.000 1.441 286 H CB 0.412 30.252 29.762 0.131 0.000 1.518 286 H HN 0.083 nan 8.280 nan 0.000 0.539 287 P HA 0.030 nan 4.420 nan 0.000 0.265 287 P C -0.807 176.220 177.300 -0.455 0.000 1.193 287 P CA 0.264 63.193 63.100 -0.285 0.000 0.765 287 P CB 1.111 32.753 31.700 -0.097 0.000 0.823 288 K N 1.191 121.452 120.400 -0.232 0.000 2.352 288 K HA 0.355 4.675 4.320 -0.000 0.000 0.240 288 K C 0.179 176.705 176.600 -0.122 0.000 1.017 288 K CA -0.869 55.245 56.287 -0.288 0.000 0.851 288 K CB 0.805 33.054 32.500 -0.419 0.000 1.261 288 K HN 0.513 nan 8.250 nan 0.000 0.451 289 H N -0.425 118.673 119.070 0.046 0.000 2.791 289 H HA -0.171 4.385 4.556 -0.000 0.000 0.302 289 H C -0.597 174.806 175.328 0.124 0.000 1.198 289 H CA 0.360 56.458 56.048 0.083 0.000 1.145 289 H CB -2.000 27.813 29.762 0.084 0.000 1.385 289 H HN 0.380 nan 8.280 nan 0.000 0.409 290 L N 0.214 121.546 121.223 0.181 0.000 2.380 290 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 290 L C 0.969 177.965 176.870 0.209 0.000 1.138 290 L CA -0.196 54.774 54.840 0.217 0.000 0.832 290 L CB 0.258 42.465 42.059 0.247 0.000 1.124 290 L HN 0.069 nan 8.230 nan 0.000 0.454 291 F N 4.035 123.985 119.950 0.001 0.000 2.351 291 F HA 0.293 4.820 4.527 -0.000 0.000 0.362 291 F C -0.434 175.441 175.800 0.124 0.000 1.131 291 F CA -0.600 57.378 58.000 -0.036 0.000 1.187 291 F CB 0.167 38.861 39.000 -0.510 0.000 1.434 291 F HN 0.142 nan 8.300 nan 0.000 0.553 292 F N 6.015 126.009 119.950 0.074 0.000 2.405 292 F HA 0.562 5.089 4.527 -0.000 0.000 0.355 292 F C -0.951 174.944 175.800 0.158 0.000 1.121 292 F CA -0.658 57.412 58.000 0.116 0.000 1.112 292 F CB 0.814 39.866 39.000 0.087 0.000 1.126 292 F HN 0.036 nan 8.300 nan 0.000 0.481 293 V N 5.678 125.579 119.914 -0.020 0.000 2.417 293 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 293 V C -0.571 175.544 176.094 0.035 0.000 1.024 293 V CA -0.819 61.553 62.300 0.121 0.000 0.861 293 V CB 1.250 33.195 31.823 0.204 0.000 0.985 293 V HN 0.855 nan 8.190 nan 0.000 0.436 294 C N 5.321 124.650 119.300 0.049 0.000 2.319 294 C HA 0.340 4.800 4.460 -0.000 0.000 0.335 294 C C 1.573 176.488 174.990 -0.126 0.000 1.274 294 C CA -0.493 58.374 59.018 -0.251 0.000 1.806 294 C CB 0.861 28.050 27.740 -0.919 0.000 2.329 294 C HN 0.932 nan 8.230 nan 0.000 0.524 295 L N 3.592 124.860 121.223 0.075 0.000 2.042 295 L HA -0.020 4.319 4.340 -0.000 0.000 0.210 295 L C 1.467 178.498 176.870 0.267 0.000 1.076 295 L CA 2.310 57.349 54.840 0.332 0.000 0.749 295 L CB -0.403 41.960 42.059 0.506 0.000 0.893 295 L HN 0.956 nan 8.230 nan 0.000 0.432 296 T N -4.830 109.781 114.554 0.095 0.000 2.831 296 T HA 0.305 4.655 4.350 -0.000 0.000 0.287 296 T C -0.618 174.047 174.700 -0.058 0.000 1.070 296 T CA -0.693 61.501 62.100 0.157 0.000 1.010 296 T CB 0.761 69.827 68.868 0.331 0.000 1.264 296 T HN 0.184 nan 8.240 nan 0.000 0.532 297 H N 0.292 119.399 119.070 0.062 0.000 2.929 297 H HA 0.351 4.907 4.556 -0.000 0.000 0.317 297 H C -0.346 175.145 175.328 0.272 0.000 1.031 297 H CA -0.124 55.967 56.048 0.071 0.000 1.466 297 H CB -0.024 29.828 29.762 0.149 0.000 1.482 297 H HN 0.483 nan 8.280 nan 0.000 0.561 298 F N 1.771 121.471 119.950 -0.416 0.000 2.479 298 F HA 0.277 4.803 4.527 -0.000 0.000 0.280 298 F C 0.858 176.358 175.800 -0.501 0.000 0.982 298 F CA 0.531 58.352 58.000 -0.299 0.000 1.276 298 F CB -0.328 38.606 39.000 -0.110 0.000 1.137 298 F HN 0.506 nan 8.300 nan 0.000 0.660 299 S N -0.811 114.679 115.700 -0.350 0.000 2.558 299 S HA 0.203 4.673 4.470 -0.000 0.000 0.277 299 S C 0.222 174.777 174.600 -0.074 0.000 1.143 299 S CA -0.343 57.733 58.200 -0.206 0.000 0.865 299 S CB 0.905 64.070 63.200 -0.058 0.000 1.102 299 S HN 0.400 nan 8.310 nan 0.000 0.454 300 E N 1.183 121.435 120.200 0.086 0.000 2.333 300 E HA -0.114 4.236 4.350 -0.000 0.000 0.198 300 E C 1.359 177.975 176.600 0.027 0.000 1.007 300 E CA 1.701 58.161 56.400 0.100 0.000 0.845 300 E CB -0.614 29.155 29.700 0.114 0.000 0.766 300 E HN 0.699 nan 8.360 nan 0.000 0.507 301 T N -0.860 113.703 114.554 0.015 0.000 2.995 301 T HA 0.027 4.377 4.350 -0.000 0.000 0.269 301 T C 0.994 175.684 174.700 -0.017 0.000 1.091 301 T CA 0.218 62.319 62.100 0.001 0.000 1.128 301 T CB -0.289 68.586 68.868 0.012 0.000 0.891 301 T HN -0.003 nan 8.240 nan 0.000 0.492 302 V N 2.494 122.396 119.914 -0.019 0.000 2.439 302 V HA 0.513 4.633 4.120 -0.000 0.000 0.271 302 V C 0.950 176.987 176.094 -0.095 0.000 1.040 302 V CA -0.666 61.602 62.300 -0.055 0.000 1.002 302 V CB 0.081 31.905 31.823 0.002 0.000 1.000 302 V HN 0.592 nan 8.190 nan 0.000 0.477 303 A N 4.907 127.650 122.820 -0.129 0.000 3.037 303 A HA 0.654 4.974 4.320 -0.000 0.000 0.272 303 A C 0.739 178.209 177.584 -0.190 0.000 1.723 303 A CA 0.474 52.420 52.037 -0.151 0.000 1.413 303 A CB -0.713 18.219 19.000 -0.114 0.000 1.112 303 A HN 1.066 nan 8.150 nan 0.000 0.606 304 G N -0.368 108.306 108.800 -0.211 0.000 2.687 304 G HA2 0.560 4.520 3.960 -0.000 0.000 0.291 304 G HA3 0.560 4.520 3.960 -0.000 0.000 0.291 304 G C -1.386 173.314 174.900 -0.333 0.000 1.420 304 G CA -0.598 44.402 45.100 -0.168 0.000 0.796 304 G HN 0.240 nan 8.290 nan 0.000 0.485 305 Y N -0.813 119.455 120.300 -0.054 0.000 2.387 305 Y HA 0.550 5.100 4.550 -0.000 0.000 0.330 305 Y C 0.400 176.274 175.900 -0.043 0.000 1.133 305 Y CA -0.773 57.282 58.100 -0.074 0.000 1.152 305 Y CB 2.196 40.581 38.460 -0.126 0.000 1.215 305 Y HN 0.228 nan 8.280 nan 0.000 0.466 306 V N 2.911 122.874 119.914 0.082 0.000 2.394 306 V HA 0.370 4.490 4.120 -0.000 0.000 0.282 306 V C 0.670 176.727 176.094 -0.062 0.000 1.031 306 V CA -0.259 62.044 62.300 0.005 0.000 0.881 306 V CB 0.937 32.779 31.823 0.032 0.000 0.982 306 V HN 1.087 nan 8.190 nan 0.000 0.451 307 A N 4.547 127.293 122.820 -0.123 0.000 1.872 307 A HA 0.145 4.465 4.320 -0.000 0.000 0.214 307 A C 0.668 177.885 177.584 -0.612 0.000 1.187 307 A CA 1.245 53.005 52.037 -0.460 0.000 0.614 307 A CB -0.128 18.507 19.000 -0.608 0.000 0.826 307 A HN 0.602 nan 8.150 nan 0.000 0.442 308 F N 1.438 121.312 119.950 -0.126 0.000 2.325 308 F HA 0.328 4.855 4.527 -0.000 0.000 0.369 308 F C 0.087 175.885 175.800 -0.002 0.000 1.095 308 F CA -1.033 56.930 58.000 -0.062 0.000 1.082 308 F CB 1.133 40.124 39.000 -0.015 0.000 1.289 308 F HN -0.121 nan 8.300 nan 0.000 0.462 309 K N 4.392 124.835 120.400 0.071 0.000 2.436 309 K HA 0.147 4.467 4.320 -0.000 0.000 0.275 309 K C -2.133 174.530 176.600 0.106 0.000 0.999 309 K CA -1.123 55.205 56.287 0.069 0.000 0.980 309 K CB 0.120 32.630 32.500 0.017 0.000 0.919 309 K HN 0.320 nan 8.250 nan 0.000 0.484 310 P HA 0.162 nan 4.420 nan 0.000 0.276 310 P C -0.711 176.615 177.300 0.044 0.000 1.252 310 P CA -0.355 62.792 63.100 0.078 0.000 0.802 310 P CB 0.697 32.415 31.700 0.030 0.000 1.035 311 T N -2.327 112.260 114.554 0.056 0.000 2.881 311 T HA 0.353 4.703 4.350 -0.000 0.000 0.290 311 T C -0.112 174.608 174.700 0.033 0.000 1.000 311 T CA -0.956 61.170 62.100 0.043 0.000 0.978 311 T CB 0.270 69.176 68.868 0.064 0.000 0.997 311 T HN 0.302 nan 8.240 nan 0.000 0.443 312 N N 1.809 120.517 118.700 0.014 0.000 2.454 312 N HA 0.201 4.941 4.740 -0.000 0.000 0.254 312 N C -0.617 174.909 175.510 0.027 0.000 1.228 312 N CA -0.312 52.744 53.050 0.010 0.000 0.900 312 N CB 0.580 39.070 38.487 0.005 0.000 1.089 312 N HN 0.492 nan 8.380 nan 0.000 0.449 313 L N 2.721 123.962 121.223 0.030 0.000 2.283 313 L HA 0.258 4.598 4.340 -0.000 0.000 0.281 313 L C -0.368 176.530 176.870 0.046 0.000 1.033 313 L CA -0.654 54.211 54.840 0.042 0.000 0.848 313 L CB 0.595 42.683 42.059 0.048 0.000 1.226 313 L HN 0.433 nan 8.230 nan 0.000 0.429 314 D N 3.438 123.861 120.400 0.038 0.000 2.304 314 D HA 0.107 4.746 4.640 -0.000 0.000 0.247 314 D C 0.316 176.629 176.300 0.022 0.000 1.089 314 D CA -0.119 53.902 54.000 0.036 0.000 0.910 314 D CB 1.003 41.818 40.800 0.025 0.000 1.199 314 D HN 0.360 nan 8.370 nan 0.000 0.426 315 N N 0.715 119.419 118.700 0.007 0.000 2.738 315 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 315 N C -0.018 175.473 175.510 -0.032 0.000 1.047 315 N CA 0.751 53.785 53.050 -0.027 0.000 0.707 315 N CB -1.509 36.969 38.487 -0.014 0.000 0.937 315 N HN 0.597 nan 8.380 nan 0.000 0.545 316 T N -2.894 111.641 114.554 -0.031 0.000 2.754 316 T HA 0.350 4.700 4.350 -0.000 0.000 0.286 316 T C 1.781 176.431 174.700 -0.084 0.000 0.997 316 T CA -0.453 61.636 62.100 -0.019 0.000 0.982 316 T CB 1.003 69.895 68.868 0.039 0.000 1.027 316 T HN 0.033 nan 8.240 nan 0.000 0.529 317 I N 1.617 122.155 120.570 -0.054 0.000 2.151 317 I HA -0.014 4.156 4.170 -0.000 0.000 0.243 317 I C 2.485 178.509 176.117 -0.155 0.000 1.080 317 I CA 2.225 63.480 61.300 -0.075 0.000 1.339 317 I CB -1.180 36.800 38.000 -0.033 0.000 1.039 317 I HN 0.907 nan 8.210 nan 0.000 0.409 318 G N -0.708 107.977 108.800 -0.191 0.000 2.422 318 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 318 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 318 G C 1.606 175.929 174.900 -0.962 0.000 1.146 318 G CA 0.938 45.822 45.100 -0.361 0.000 0.769 318 G HN 0.566 nan 8.290 nan 0.000 0.547 319 E N -0.173 119.341 120.200 -1.142 0.000 2.072 319 E HA -0.062 4.287 4.350 -0.000 0.000 0.190 319 E C 2.608 178.955 176.600 -0.423 0.000 0.982 319 E CA 0.796 56.575 56.400 -1.036 0.000 0.803 319 E CB -0.033 29.330 29.700 -0.562 0.000 0.755 319 E HN 0.229 nan 8.360 nan 0.000 0.453 320 V N 1.416 121.184 119.914 -0.244 0.000 2.343 320 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 320 V C 2.445 178.553 176.094 0.022 0.000 1.051 320 V CA 1.512 63.782 62.300 -0.049 0.000 1.036 320 V CB -0.479 31.342 31.823 -0.004 0.000 0.654 320 V HN 0.347 nan 8.190 nan 0.000 0.451 321 L N -0.124 121.059 121.223 -0.067 0.000 2.042 321 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 321 L C 2.732 179.595 176.870 -0.012 0.000 1.076 321 L CA 1.959 56.787 54.840 -0.020 0.000 0.749 321 L CB -0.740 41.292 42.059 -0.045 0.000 0.893 321 L HN 0.390 nan 8.230 nan 0.000 0.432 322 S N -0.524 115.116 115.700 -0.100 0.000 2.356 322 S HA -0.228 4.241 4.470 -0.000 0.000 0.223 322 S C 1.966 176.538 174.600 -0.048 0.000 1.032 322 S CA 1.378 59.546 58.200 -0.054 0.000 1.005 322 S CB -0.111 63.044 63.200 -0.076 0.000 0.867 322 S HN 0.444 nan 8.310 nan 0.000 0.449 323 Q N -0.467 119.271 119.800 -0.103 0.000 2.181 323 Q HA -0.110 4.230 4.340 -0.000 0.000 0.205 323 Q C 1.272 177.128 176.000 -0.241 0.000 0.980 323 Q CA 1.297 56.998 55.803 -0.170 0.000 0.862 323 Q CB -0.247 28.348 28.738 -0.237 0.000 0.905 323 Q HN 0.683 nan 8.270 nan 0.000 0.429 324 H N -1.167 117.878 119.070 -0.042 0.000 2.524 324 H HA 0.156 4.712 4.556 -0.000 0.000 0.280 324 H C 0.972 176.288 175.328 -0.020 0.000 1.018 324 H CA 0.706 56.736 56.048 -0.029 0.000 1.165 324 H CB 0.583 30.325 29.762 -0.034 0.000 1.411 324 H HN 0.464 nan 8.280 nan 0.000 0.569 325 G N 1.187 110.016 108.800 0.048 0.000 2.153 325 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.252 325 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.252 325 G C -0.044 174.883 174.900 0.044 0.000 0.994 325 G CA 0.031 45.153 45.100 0.037 0.000 0.698 325 G HN 0.152 nan 8.290 nan 0.000 0.521 326 L N -0.083 121.173 121.223 0.055 0.000 2.399 326 L HA 0.603 4.942 4.340 -0.000 0.000 0.266 326 L C 1.194 178.103 176.870 0.064 0.000 1.114 326 L CA -0.351 54.519 54.840 0.050 0.000 0.804 326 L CB 0.839 42.925 42.059 0.045 0.000 1.146 326 L HN 0.190 nan 8.230 nan 0.000 0.451 327 R N 2.094 122.641 120.500 0.079 0.000 2.312 327 R HA 0.439 4.779 4.340 -0.000 0.000 0.311 327 R C -0.744 175.707 176.300 0.253 0.000 1.004 327 R CA -0.609 55.577 56.100 0.143 0.000 0.902 327 R CB 1.238 31.575 30.300 0.061 0.000 1.073 327 R HN 0.671 nan 8.270 nan 0.000 0.457 328 Q N 2.307 122.265 119.800 0.263 0.000 2.394 328 Q HA 0.588 4.928 4.340 -0.000 0.000 0.273 328 Q C -1.459 174.538 176.000 -0.005 0.000 1.089 328 Q CA -1.138 54.756 55.803 0.151 0.000 0.812 328 Q CB 2.149 30.929 28.738 0.070 0.000 1.353 328 Q HN 0.360 nan 8.270 nan 0.000 0.438 329 L N 1.532 122.578 121.223 -0.295 0.000 2.362 329 L HA 0.599 4.939 4.340 -0.000 0.000 0.275 329 L C -1.484 175.236 176.870 -0.251 0.000 0.998 329 L CA -0.472 54.047 54.840 -0.535 0.000 0.820 329 L CB 1.917 43.282 42.059 -1.157 0.000 1.270 329 L HN 0.632 nan 8.230 nan 0.000 0.415 330 R N 6.139 126.543 120.500 -0.160 0.000 2.445 330 R HA 0.651 4.991 4.340 -0.000 0.000 0.308 330 R C -1.214 175.046 176.300 -0.066 0.000 0.961 330 R CA -0.540 55.504 56.100 -0.094 0.000 0.862 330 R CB 1.703 31.953 30.300 -0.083 0.000 1.144 330 R HN 0.849 nan 8.270 nan 0.000 0.447 331 I N 0.455 120.993 120.570 -0.054 0.000 2.692 331 I HA 0.713 4.883 4.170 -0.000 0.000 0.293 331 I C -1.586 174.528 176.117 -0.005 0.000 1.200 331 I CA -0.378 60.917 61.300 -0.009 0.000 1.036 331 I CB 2.020 39.978 38.000 -0.070 0.000 1.258 331 I HN 0.791 nan 8.210 nan 0.000 0.421 332 A N 5.415 128.284 122.820 0.081 0.000 2.522 332 A HA 0.499 4.819 4.320 -0.000 0.000 0.291 332 A C -1.448 176.202 177.584 0.109 0.000 1.039 332 A CA -0.696 51.378 52.037 0.063 0.000 0.643 332 A CB 1.228 20.285 19.000 0.096 0.000 1.310 332 A HN 0.797 nan 8.150 nan 0.000 0.436 333 E N 0.010 120.251 120.200 0.069 0.000 2.322 333 E HA 0.502 4.852 4.350 -0.000 0.000 0.257 333 E C 0.591 177.237 176.600 0.077 0.000 1.155 333 E CA 0.093 56.521 56.400 0.047 0.000 0.936 333 E CB 0.284 29.998 29.700 0.023 0.000 1.130 333 E HN 0.482 nan 8.360 nan 0.000 0.465 334 T N 0.863 115.435 114.554 0.029 0.000 2.602 334 T HA -0.247 4.103 4.350 -0.000 0.000 0.264 334 T C 1.385 176.155 174.700 0.117 0.000 1.085 334 T CA 2.046 64.173 62.100 0.045 0.000 1.164 334 T CB -0.408 68.474 68.868 0.023 0.000 0.860 334 T HN 0.493 nan 8.240 nan 0.000 0.442 335 E N 0.756 121.010 120.200 0.090 0.000 2.160 335 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 335 E C 1.658 178.386 176.600 0.214 0.000 0.991 335 E CA 1.017 57.491 56.400 0.123 0.000 0.810 335 E CB -0.036 29.684 29.700 0.032 0.000 0.742 335 E HN 0.408 nan 8.360 nan 0.000 0.466 336 K N -0.596 119.933 120.400 0.215 0.000 2.438 336 K HA 0.065 4.385 4.320 -0.000 0.000 0.205 336 K C 1.213 178.006 176.600 0.321 0.000 1.033 336 K CA -0.327 56.154 56.287 0.322 0.000 1.089 336 K CB 0.118 32.687 32.500 0.115 0.000 0.857 336 K HN 0.110 nan 8.250 nan 0.000 0.522 337 Y N 2.762 123.137 120.300 0.124 0.000 2.181 337 Y HA -0.097 4.452 4.550 -0.000 0.000 0.288 337 Y C -1.072 174.831 175.900 0.005 0.000 1.146 337 Y CA 1.272 59.400 58.100 0.047 0.000 1.164 337 Y CB -0.701 37.768 38.460 0.015 0.000 0.982 337 Y HN 0.033 nan 8.280 nan 0.000 0.515 338 P HA -0.125 nan 4.420 nan 0.000 0.218 338 P C 0.698 177.797 177.300 -0.335 0.000 1.149 338 P CA 2.201 65.122 63.100 -0.297 0.000 0.817 338 P CB -0.047 31.428 31.700 -0.375 0.000 0.785 339 H N -1.304 117.796 119.070 0.051 0.000 2.403 339 H HA -0.033 4.523 4.556 -0.000 0.000 0.298 339 H C 1.670 176.943 175.328 -0.090 0.000 1.059 339 H CA 1.264 57.297 56.048 -0.024 0.000 1.363 339 H CB -1.115 28.306 29.762 -0.568 0.000 1.410 339 H HN 0.009 nan 8.280 nan 0.000 0.528 340 V N -0.809 119.105 119.914 0.001 0.000 3.380 340 V HA -0.029 4.091 4.120 -0.000 0.000 0.268 340 V C 1.611 177.675 176.094 -0.051 0.000 1.168 340 V CA 1.370 63.705 62.300 0.059 0.000 1.156 340 V CB -0.689 31.148 31.823 0.024 0.000 0.785 340 V HN 0.599 nan 8.190 nan 0.000 0.487 341 T N -2.813 111.639 114.554 -0.170 0.000 3.556 341 T HA 0.181 4.531 4.350 -0.000 0.000 0.204 341 T C 1.556 176.196 174.700 -0.100 0.000 0.896 341 T CA 0.851 62.828 62.100 -0.205 0.000 1.380 341 T CB -0.746 67.850 68.868 -0.453 0.000 1.584 341 T HN 0.243 nan 8.240 nan 0.000 0.411 342 F N 1.710 121.472 119.950 -0.314 0.000 2.043 342 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 342 F C 1.943 177.590 175.800 -0.254 0.000 1.118 342 F CA 1.733 59.522 58.000 -0.352 0.000 1.202 342 F CB -0.593 38.064 39.000 -0.573 0.000 0.965 342 F HN 0.171 nan 8.300 nan 0.000 0.482 343 F N -0.470 119.555 119.950 0.126 0.000 2.146 343 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 343 F C 2.355 178.192 175.800 0.062 0.000 1.096 343 F CA 1.443 59.495 58.000 0.086 0.000 1.275 343 F CB -1.213 37.909 39.000 0.203 0.000 1.008 343 F HN 0.076 nan 8.300 nan 0.000 0.480 344 M N -0.138 119.626 119.600 0.273 0.000 2.202 344 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 344 M C 1.773 178.154 176.300 0.134 0.000 1.063 344 M CA 1.603 57.031 55.300 0.214 0.000 1.097 344 M CB -0.796 31.920 32.600 0.194 0.000 1.382 344 M HN -0.105 nan 8.290 nan 0.000 0.413 345 S N -0.005 115.738 115.700 0.071 0.000 2.701 345 S HA 0.369 4.839 4.470 -0.000 0.000 0.220 345 S C 1.084 175.703 174.600 0.032 0.000 0.954 345 S CA 0.520 58.788 58.200 0.113 0.000 0.936 345 S CB -0.844 62.365 63.200 0.014 0.000 0.777 345 S HN 0.853 nan 8.310 nan 0.000 0.518 346 G N 0.901 109.699 108.800 -0.002 0.000 2.137 346 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.237 346 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.237 346 G C 0.644 175.449 174.900 -0.159 0.000 1.002 346 G CA -0.130 44.961 45.100 -0.015 0.000 0.702 346 G HN 1.373 nan 8.290 nan 0.000 0.515 347 G N -1.131 107.390 108.800 -0.466 0.000 2.255 347 G HA2 0.019 3.978 3.960 -0.000 0.000 0.239 347 G HA3 0.019 3.978 3.960 -0.000 0.000 0.239 347 G C -0.051 174.196 174.900 -1.087 0.000 1.083 347 G CA 0.964 45.472 45.100 -0.986 0.000 0.826 347 G HN 1.645 nan 8.290 nan 0.000 0.493 348 R N -0.561 119.318 120.500 -1.036 0.000 2.532 348 R HA 0.602 4.942 4.340 -0.000 0.000 0.297 348 R C 0.804 176.908 176.300 -0.325 0.000 0.984 348 R CA -0.441 55.354 56.100 -0.507 0.000 0.884 348 R CB 1.174 31.260 30.300 -0.356 0.000 1.182 348 R HN 0.073 nan 8.270 nan 0.000 0.442 349 E N 2.859 123.073 120.200 0.024 0.000 2.086 349 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 349 E C -0.334 176.240 176.600 -0.044 0.000 0.975 349 E CA 0.926 57.411 56.400 0.140 0.000 0.813 349 E CB 0.130 29.946 29.700 0.194 0.000 0.768 349 E HN 0.647 nan 8.360 nan 0.000 0.457 350 E N 1.105 121.240 120.200 -0.109 0.000 2.415 350 E HA -0.036 4.314 4.350 -0.000 0.000 0.263 350 E C -0.659 175.774 176.600 -0.279 0.000 0.995 350 E CA -0.066 56.242 56.400 -0.154 0.000 0.915 350 E CB 0.428 30.038 29.700 -0.149 0.000 0.951 350 E HN 0.178 nan 8.360 nan 0.000 0.449 351 E N 2.591 122.684 120.200 -0.179 0.000 2.408 351 E HA 0.089 4.439 4.350 -0.000 0.000 0.259 351 E C -0.623 175.851 176.600 -0.210 0.000 1.110 351 E CA -0.153 56.146 56.400 -0.168 0.000 0.929 351 E CB 0.511 30.195 29.700 -0.026 0.000 0.971 351 E HN 0.313 nan 8.360 nan 0.000 0.438 352 F N 1.183 121.133 119.950 0.000 0.000 2.370 352 F HA 0.253 4.779 4.527 -0.000 0.000 0.324 352 F C -1.803 174.005 175.800 0.014 0.000 1.116 352 F CA -2.400 55.602 58.000 0.003 0.000 1.123 352 F CB 0.206 39.207 39.000 0.001 0.000 1.238 352 F HN 0.192 nan 8.300 nan 0.000 0.536 353 P HA 0.175 nan 4.420 nan 0.000 0.264 353 P C 0.456 177.833 177.300 0.128 0.000 1.193 353 P CA 1.056 64.233 63.100 0.127 0.000 0.763 353 P CB 0.505 32.262 31.700 0.095 0.000 0.810 354 G N 1.707 110.571 108.800 0.107 0.000 2.176 354 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 354 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 354 G C 0.114 175.105 174.900 0.151 0.000 0.979 354 G CA -0.146 45.020 45.100 0.111 0.000 0.641 354 G HN 0.627 nan 8.290 nan 0.000 0.530 355 E N 1.059 121.352 120.200 0.156 0.000 2.146 355 E HA 0.469 4.818 4.350 -0.000 0.000 0.282 355 E C -1.038 175.637 176.600 0.126 0.000 0.989 355 E CA -0.701 55.790 56.400 0.151 0.000 0.799 355 E CB 0.579 30.385 29.700 0.177 0.000 1.088 355 E HN 0.178 nan 8.360 nan 0.000 0.397 356 D N 3.427 123.902 120.400 0.125 0.000 2.228 356 D HA 0.440 5.080 4.640 -0.000 0.000 0.247 356 D C -0.530 175.783 176.300 0.021 0.000 0.995 356 D CA -0.417 53.646 54.000 0.106 0.000 0.903 356 D CB 1.318 42.249 40.800 0.218 0.000 1.205 356 D HN 0.367 nan 8.370 nan 0.000 0.459 357 R N 0.841 121.375 120.500 0.057 0.000 2.686 357 R HA 0.661 5.001 4.340 -0.000 0.000 0.283 357 R C -0.685 175.692 176.300 0.129 0.000 0.978 357 R CA -0.720 55.433 56.100 0.088 0.000 0.897 357 R CB 2.157 32.548 30.300 0.151 0.000 1.192 357 R HN 0.322 nan 8.270 nan 0.000 0.457 358 I N 3.607 124.265 120.570 0.147 0.000 2.447 358 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 358 I C -1.164 175.029 176.117 0.127 0.000 1.023 358 I CA -1.026 60.330 61.300 0.093 0.000 1.083 358 I CB 2.008 40.022 38.000 0.023 0.000 1.245 358 I HN 0.304 nan 8.210 nan 0.000 0.434 359 L N 8.392 129.573 121.223 -0.070 0.000 2.287 359 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 359 L C -1.027 175.745 176.870 -0.164 0.000 1.022 359 L CA -0.125 54.522 54.840 -0.321 0.000 0.814 359 L CB 0.938 42.489 42.059 -0.847 0.000 1.217 359 L HN 0.314 nan 8.230 nan 0.000 0.420 360 I N 4.406 124.920 120.570 -0.093 0.000 2.354 360 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 360 I C 0.083 176.173 176.117 -0.044 0.000 0.989 360 I CA -0.423 60.848 61.300 -0.048 0.000 1.188 360 I CB 1.304 39.297 38.000 -0.011 0.000 1.342 360 I HN 0.698 nan 8.210 nan 0.000 0.457 361 N N 3.688 122.368 118.700 -0.033 0.000 2.468 361 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 361 N C 0.011 175.535 175.510 0.024 0.000 1.199 361 N CA -0.015 53.026 53.050 -0.013 0.000 0.928 361 N CB 0.711 39.194 38.487 -0.005 0.000 1.059 361 N HN 0.507 nan 8.380 nan 0.000 0.467 362 S N 2.623 118.346 115.700 0.039 0.000 2.593 362 S HA 0.205 4.674 4.470 -0.000 0.000 0.269 362 S C -1.940 172.739 174.600 0.132 0.000 1.334 362 S CA -0.989 57.255 58.200 0.074 0.000 1.015 362 S CB 0.526 63.777 63.200 0.086 0.000 0.912 362 S HN 0.474 nan 8.310 nan 0.000 0.541 363 P HA 0.104 nan 4.420 nan 0.000 0.269 363 P C -0.855 176.545 177.300 0.167 0.000 1.209 363 P CA -0.355 62.849 63.100 0.173 0.000 0.776 363 P CB 0.430 32.244 31.700 0.190 0.000 0.876 364 K N 2.056 122.509 120.400 0.088 0.000 2.480 364 K HA 0.235 4.555 4.320 -0.000 0.000 0.241 364 K C 0.081 176.689 176.600 0.013 0.000 1.261 364 K CA -0.180 56.133 56.287 0.044 0.000 1.193 364 K CB -0.788 31.728 32.500 0.027 0.000 1.598 364 K HN 0.334 nan 8.250 nan 0.000 0.278 365 V N -1.288 118.613 119.914 -0.020 0.000 2.823 365 V HA 0.449 4.568 4.120 -0.000 0.000 0.312 365 V C -1.523 174.461 176.094 -0.182 0.000 1.072 365 V CA -1.769 60.481 62.300 -0.083 0.000 0.937 365 V CB 1.922 33.706 31.823 -0.065 0.000 1.013 365 V HN 0.111 nan 8.190 nan 0.000 0.430 366 P HA -0.035 nan 4.420 nan 0.000 0.215 366 P C 0.542 177.735 177.300 -0.178 0.000 1.157 366 P CA 1.836 64.885 63.100 -0.086 0.000 0.868 366 P CB 0.001 31.629 31.700 -0.119 0.000 0.788 367 T N -4.280 110.114 114.554 -0.267 0.000 2.893 367 T HA 0.383 4.733 4.350 -0.000 0.000 0.291 367 T C 0.216 174.746 174.700 -0.283 0.000 1.028 367 T CA -0.650 61.295 62.100 -0.258 0.000 0.995 367 T CB 1.006 69.793 68.868 -0.134 0.000 1.051 367 T HN -0.155 nan 8.240 nan 0.000 0.470 368 Y N 1.045 121.396 120.300 0.085 0.000 2.578 368 Y HA 0.044 4.594 4.550 -0.000 0.000 0.297 368 Y C 2.227 178.158 175.900 0.053 0.000 1.176 368 Y CA 0.173 58.316 58.100 0.071 0.000 1.315 368 Y CB -0.357 38.157 38.460 0.090 0.000 1.031 368 Y HN 0.759 nan 8.280 nan 0.000 0.524 369 D N -0.149 120.331 120.400 0.135 0.000 2.348 369 D HA -0.134 4.505 4.640 -0.000 0.000 0.216 369 D C 1.501 177.833 176.300 0.054 0.000 0.970 369 D CA 0.763 54.816 54.000 0.088 0.000 0.889 369 D CB -0.311 40.523 40.800 0.056 0.000 0.912 369 D HN 0.387 nan 8.370 nan 0.000 0.524 370 L N -0.737 120.510 121.223 0.039 0.000 2.418 370 L HA 0.109 4.449 4.340 -0.000 0.000 0.218 370 L C 1.416 178.315 176.870 0.047 0.000 1.125 370 L CA 0.448 55.298 54.840 0.018 0.000 0.835 370 L CB -0.074 41.973 42.059 -0.020 0.000 0.953 370 L HN -0.102 nan 8.230 nan 0.000 0.454 371 K N -0.452 120.007 120.400 0.098 0.000 3.098 371 K HA 0.195 4.515 4.320 -0.000 0.000 0.204 371 K C -2.229 174.451 176.600 0.133 0.000 1.210 371 K CA -1.059 55.292 56.287 0.107 0.000 0.899 371 K CB 1.230 33.805 32.500 0.125 0.000 1.176 371 K HN -0.265 nan 8.250 nan 0.000 0.585 372 P HA -0.249 nan 4.420 nan 0.000 0.217 372 P C 0.858 178.193 177.300 0.059 0.000 1.148 372 P CA 1.179 64.327 63.100 0.080 0.000 0.828 372 P CB 0.236 31.965 31.700 0.048 0.000 0.783 373 E N -0.489 119.742 120.200 0.053 0.000 2.427 373 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 373 E C 1.053 177.691 176.600 0.063 0.000 1.028 373 E CA 0.433 56.860 56.400 0.046 0.000 0.864 373 E CB -0.698 29.025 29.700 0.038 0.000 0.813 373 E HN 0.184 nan 8.360 nan 0.000 0.514 374 M N 0.316 119.959 119.600 0.073 0.000 7.319 374 M HA -0.304 4.176 4.480 -0.000 0.000 0.337 374 M C 0.643 176.993 176.300 0.084 0.000 0.480 374 M CA 2.204 57.541 55.300 0.061 0.000 1.311 374 M CB -1.418 31.147 32.600 -0.059 0.000 0.421 374 M HN 0.116 nan 8.290 nan 0.000 0.957 375 S N -0.085 115.659 115.700 0.074 0.000 2.651 375 S HA 0.503 4.973 4.470 -0.000 0.000 0.246 375 S C 0.972 175.656 174.600 0.140 0.000 1.039 375 S CA 0.214 58.479 58.200 0.108 0.000 1.013 375 S CB 0.413 63.659 63.200 0.076 0.000 0.861 375 S HN 0.626 nan 8.310 nan 0.000 0.485 376 A N 0.885 123.803 122.820 0.162 0.000 1.940 376 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 376 A C 1.749 179.475 177.584 0.237 0.000 1.176 376 A CA 1.553 53.730 52.037 0.232 0.000 0.631 376 A CB -0.808 18.276 19.000 0.140 0.000 0.814 376 A HN 0.645 nan 8.150 nan 0.000 0.446 377 Y N 0.981 121.331 120.300 0.084 0.000 2.145 377 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 377 Y C 2.096 178.043 175.900 0.078 0.000 1.145 377 Y CA 2.371 60.514 58.100 0.070 0.000 1.148 377 Y CB -0.400 38.087 38.460 0.045 0.000 0.981 377 Y HN 0.391 nan 8.280 nan 0.000 0.507 378 E N -0.272 119.909 120.200 -0.032 0.000 2.106 378 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 378 E C 2.341 178.886 176.600 -0.093 0.000 0.984 378 E CA 1.466 57.786 56.400 -0.133 0.000 0.806 378 E CB -0.507 29.206 29.700 0.021 0.000 0.750 378 E HN 0.366 nan 8.360 nan 0.000 0.458 379 V N 0.718 120.634 119.914 0.002 0.000 2.295 379 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 379 V C 2.118 178.211 176.094 -0.002 0.000 1.049 379 V CA 2.244 64.548 62.300 0.008 0.000 1.024 379 V CB -0.775 31.076 31.823 0.046 0.000 0.648 379 V HN 0.354 nan 8.190 nan 0.000 0.447 380 T N -0.458 114.129 114.554 0.055 0.000 2.708 380 T HA -0.188 4.161 4.350 -0.000 0.000 0.266 380 T C 1.661 176.333 174.700 -0.047 0.000 1.037 380 T CA 1.657 63.794 62.100 0.062 0.000 1.146 380 T CB -0.383 68.558 68.868 0.123 0.000 0.865 380 T HN 0.490 nan 8.240 nan 0.000 0.435 381 D N 1.414 121.704 120.400 -0.183 0.000 2.117 381 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 381 D C 2.409 178.651 176.300 -0.096 0.000 0.987 381 D CA 1.288 55.173 54.000 -0.192 0.000 0.829 381 D CB -0.459 40.124 40.800 -0.363 0.000 0.961 381 D HN 0.405 nan 8.370 nan 0.000 0.460 382 A N 0.946 123.715 122.820 -0.085 0.000 1.902 382 A HA -0.154 4.165 4.320 -0.000 0.000 0.217 382 A C 2.178 179.752 177.584 -0.017 0.000 1.181 382 A CA 1.075 53.088 52.037 -0.041 0.000 0.623 382 A CB -0.721 18.257 19.000 -0.036 0.000 0.818 382 A HN 0.233 nan 8.150 nan 0.000 0.443 383 L N -0.213 120.997 121.223 -0.022 0.000 2.056 383 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 383 L C 2.242 179.121 176.870 0.015 0.000 1.078 383 L CA 1.537 56.371 54.840 -0.011 0.000 0.749 383 L CB -0.541 41.501 42.059 -0.028 0.000 0.901 383 L HN 0.402 nan 8.230 nan 0.000 0.433 384 L N -0.741 120.488 121.223 0.011 0.000 2.079 384 L HA -0.249 4.090 4.340 -0.000 0.000 0.210 384 L C 2.546 179.432 176.870 0.026 0.000 1.081 384 L CA 1.454 56.307 54.840 0.022 0.000 0.752 384 L CB -0.552 41.517 42.059 0.016 0.000 0.896 384 L HN 0.278 nan 8.230 nan 0.000 0.433 385 K N -0.479 119.933 120.400 0.019 0.000 2.097 385 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 385 K C 2.047 178.677 176.600 0.050 0.000 1.050 385 K CA 0.934 57.237 56.287 0.027 0.000 0.938 385 K CB -0.006 32.505 32.500 0.018 0.000 0.718 385 K HN 0.233 nan 8.250 nan 0.000 0.442 386 E N 0.919 121.165 120.200 0.076 0.000 2.106 386 E HA -0.120 4.229 4.350 -0.000 0.000 0.192 386 E C 2.070 178.754 176.600 0.140 0.000 0.984 386 E CA 0.926 57.415 56.400 0.147 0.000 0.806 386 E CB -0.137 29.692 29.700 0.214 0.000 0.750 386 E HN 0.350 nan 8.360 nan 0.000 0.458 387 I N 1.215 121.845 120.570 0.099 0.000 2.226 387 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 387 I C 2.624 178.771 176.117 0.050 0.000 1.100 387 I CA 1.125 62.472 61.300 0.079 0.000 1.374 387 I CB -0.212 37.820 38.000 0.053 0.000 1.057 387 I HN 0.113 nan 8.210 nan 0.000 0.413 388 E N 1.422 121.646 120.200 0.041 0.000 2.204 388 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 388 E C 2.068 178.679 176.600 0.017 0.000 0.990 388 E CA 1.138 57.554 56.400 0.027 0.000 0.821 388 E CB 0.031 29.746 29.700 0.025 0.000 0.750 388 E HN 0.500 nan 8.360 nan 0.000 0.477 389 A N 0.866 123.697 122.820 0.019 0.000 2.206 389 A HA -0.064 4.256 4.320 -0.000 0.000 0.211 389 A C 0.193 177.760 177.584 -0.029 0.000 1.158 389 A CA 0.754 52.788 52.037 -0.004 0.000 0.761 389 A CB 0.049 19.047 19.000 -0.003 0.000 0.801 389 A HN 0.373 nan 8.150 nan 0.000 0.473 390 D N -0.960 119.429 120.400 -0.017 0.000 2.697 390 D HA -0.167 4.473 4.640 -0.000 0.000 0.238 390 D C 0.703 176.945 176.300 -0.097 0.000 1.152 390 D CA 1.380 55.359 54.000 -0.034 0.000 0.666 390 D CB -0.902 39.882 40.800 -0.028 0.000 1.037 390 D HN 0.654 nan 8.370 nan 0.000 0.423 391 K N -0.925 119.369 120.400 -0.176 0.000 2.287 391 K HA 0.031 4.351 4.320 -0.000 0.000 0.199 391 K C 0.479 176.738 176.600 -0.568 0.000 1.061 391 K CA 0.564 56.589 56.287 -0.436 0.000 0.976 391 K CB 0.476 32.551 32.500 -0.707 0.000 0.898 391 K HN 0.178 nan 8.250 nan 0.000 0.492 392 Y N 1.069 121.370 120.300 0.001 0.000 2.387 392 Y HA 0.150 4.700 4.550 0.000 0.000 0.336 392 Y C 0.801 176.697 175.900 -0.007 0.000 1.067 392 Y CA -0.767 57.333 58.100 -0.000 0.000 1.114 392 Y CB 1.294 39.754 38.460 0.000 0.000 1.208 392 Y HN -0.046 nan 8.280 nan 0.000 0.458 393 D N 1.554 122.038 120.400 0.139 0.000 2.240 393 D HA 0.150 4.790 4.640 -0.000 0.000 0.206 393 D C 0.163 176.501 176.300 0.064 0.000 0.963 393 D CA 0.702 54.743 54.000 0.069 0.000 0.863 393 D CB 0.505 41.331 40.800 0.042 0.000 0.973 393 D HN 0.500 nan 8.370 nan 0.000 0.501 394 A N 0.578 123.453 122.820 0.092 0.000 2.449 394 A HA 0.671 4.990 4.320 -0.000 0.000 0.302 394 A C -1.059 176.537 177.584 0.019 0.000 1.048 394 A CA -0.525 51.535 52.037 0.039 0.000 0.708 394 A CB 1.674 20.684 19.000 0.017 0.000 1.274 394 A HN 0.014 nan 8.150 nan 0.000 0.410 395 I N 1.940 122.496 120.570 -0.024 0.000 2.582 395 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 395 I C -1.023 175.053 176.117 -0.068 0.000 1.066 395 I CA -0.366 60.888 61.300 -0.077 0.000 1.053 395 I CB 2.185 40.141 38.000 -0.074 0.000 1.241 395 I HN 0.513 nan 8.210 nan 0.000 0.421 396 I N 6.807 127.330 120.570 -0.079 0.000 2.411 396 I HA 0.356 4.526 4.170 -0.000 0.000 0.284 396 I C -1.095 174.981 176.117 -0.068 0.000 1.012 396 I CA -0.594 60.676 61.300 -0.051 0.000 1.119 396 I CB 1.823 39.814 38.000 -0.015 0.000 1.261 396 I HN 0.293 nan 8.210 nan 0.000 0.448 397 L N 7.649 128.820 121.223 -0.087 0.000 2.346 397 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 397 L C -0.946 175.837 176.870 -0.145 0.000 1.006 397 L CA -0.030 54.718 54.840 -0.154 0.000 0.817 397 L CB 1.739 43.658 42.059 -0.233 0.000 1.272 397 L HN 0.510 nan 8.230 nan 0.000 0.421 398 N N 3.361 121.964 118.700 -0.161 0.000 2.296 398 N HA 0.294 5.034 4.740 -0.000 0.000 0.294 398 N C -1.976 173.432 175.510 -0.171 0.000 1.033 398 N CA -0.303 52.706 53.050 -0.068 0.000 0.839 398 N CB 1.267 39.818 38.487 0.107 0.000 1.395 398 N HN 0.546 nan 8.380 nan 0.000 0.479 399 Y N 1.836 122.155 120.300 0.032 0.000 2.417 399 Y HA 0.419 4.969 4.550 -0.000 0.000 0.336 399 Y C 1.178 177.085 175.900 0.012 0.000 0.961 399 Y CA -0.587 57.522 58.100 0.016 0.000 1.215 399 Y CB 1.585 40.047 38.460 0.003 0.000 1.120 399 Y HN 0.723 nan 8.280 nan 0.000 0.499 400 A N 2.685 125.594 122.820 0.148 0.000 2.066 400 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 400 A C 1.850 179.465 177.584 0.050 0.000 1.157 400 A CA 1.296 53.376 52.037 0.072 0.000 0.670 400 A CB -0.399 18.610 19.000 0.016 0.000 0.804 400 A HN 0.858 nan 8.150 nan 0.000 0.453 401 N N 0.983 119.718 118.700 0.058 0.000 2.036 401 N HA -0.174 4.565 4.740 -0.000 0.000 0.199 401 N C -0.977 174.560 175.510 0.044 0.000 1.036 401 N CA 2.347 55.416 53.050 0.032 0.000 0.870 401 N CB -1.692 36.814 38.487 0.032 0.000 1.055 401 N HN 0.350 nan 8.380 nan 0.000 0.436 402 P HA -0.138 nan 4.420 nan 0.000 0.215 402 P C 0.771 178.081 177.300 0.016 0.000 1.157 402 P CA 1.423 64.546 63.100 0.038 0.000 0.874 402 P CB -0.047 31.703 31.700 0.085 0.000 0.790 403 D N -1.745 118.672 120.400 0.028 0.000 2.084 403 D HA -0.142 4.497 4.640 -0.000 0.000 0.196 403 D C 1.864 178.243 176.300 0.132 0.000 0.985 403 D CA 1.341 55.363 54.000 0.038 0.000 0.826 403 D CB -0.388 40.475 40.800 0.106 0.000 0.978 403 D HN -0.189 nan 8.370 nan 0.000 0.456 404 M N 0.217 119.923 119.600 0.176 0.000 2.117 404 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 404 M C 2.246 178.723 176.300 0.295 0.000 1.065 404 M CA 0.796 56.254 55.300 0.263 0.000 1.114 404 M CB -0.828 31.800 32.600 0.046 0.000 1.361 404 M HN 0.072 nan 8.290 nan 0.000 0.408 405 V N -0.367 119.657 119.914 0.183 0.000 2.488 405 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 405 V C 2.599 178.772 176.094 0.131 0.000 1.046 405 V CA 1.641 64.047 62.300 0.177 0.000 1.053 405 V CB -1.549 30.343 31.823 0.115 0.000 0.679 405 V HN 0.529 nan 8.190 nan 0.000 0.458 406 G N -0.898 107.943 108.800 0.067 0.000 2.462 406 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 406 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 406 G C 1.353 176.268 174.900 0.025 0.000 1.121 406 G CA 0.626 45.729 45.100 0.005 0.000 0.758 406 G HN 0.552 nan 8.290 nan 0.000 0.559 407 H N 0.847 120.004 119.070 0.145 0.000 2.545 407 H HA -0.047 4.509 4.556 -0.000 0.000 0.282 407 H C 2.774 178.183 175.328 0.134 0.000 1.020 407 H CA 1.264 57.397 56.048 0.143 0.000 1.243 407 H CB 0.036 29.894 29.762 0.161 0.000 1.377 407 H HN 0.553 nan 8.280 nan 0.000 0.581 408 S N -0.747 115.092 115.700 0.231 0.000 2.489 408 S HA 0.033 4.503 4.470 -0.000 0.000 0.228 408 S C 1.835 176.513 174.600 0.130 0.000 0.995 408 S CA 0.655 58.964 58.200 0.182 0.000 0.934 408 S CB -0.099 63.185 63.200 0.141 0.000 0.771 408 S HN 0.521 nan 8.310 nan 0.000 0.522 409 G N 1.100 109.960 108.800 0.101 0.000 2.198 409 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 409 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 409 G C -0.235 174.688 174.900 0.039 0.000 1.025 409 G CA 0.392 45.531 45.100 0.064 0.000 0.769 409 G HN 0.621 nan 8.290 nan 0.000 0.507 410 K N -0.618 119.802 120.400 0.033 0.000 2.323 410 K HA 0.546 4.866 4.320 -0.000 0.000 0.259 410 K C 1.013 177.606 176.600 -0.012 0.000 0.947 410 K CA -1.028 55.266 56.287 0.011 0.000 0.819 410 K CB 1.959 34.472 32.500 0.021 0.000 1.109 410 K HN 0.047 nan 8.250 nan 0.000 0.429 411 L N 2.864 124.064 121.223 -0.039 0.000 1.988 411 L HA -0.150 4.189 4.340 -0.000 0.000 0.207 411 L C 1.863 178.700 176.870 -0.054 0.000 1.071 411 L CA 2.006 56.807 54.840 -0.065 0.000 0.744 411 L CB -0.120 41.876 42.059 -0.106 0.000 0.893 411 L HN 0.640 nan 8.230 nan 0.000 0.433 412 E N -0.173 119.999 120.200 -0.046 0.000 2.058 412 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 412 E C 0.110 176.697 176.600 -0.022 0.000 0.997 412 E CA 1.936 58.314 56.400 -0.037 0.000 0.801 412 E CB -1.809 27.873 29.700 -0.031 0.000 0.746 412 E HN 0.449 nan 8.360 nan 0.000 0.450 413 P HA -0.061 nan 4.420 nan 0.000 0.217 413 P C 1.344 178.651 177.300 0.010 0.000 1.150 413 P CA 1.611 64.716 63.100 0.009 0.000 0.832 413 P CB -0.074 31.641 31.700 0.025 0.000 0.787 414 T N -0.748 113.806 114.554 -0.000 0.000 2.867 414 T HA -0.058 4.291 4.350 -0.000 0.000 0.268 414 T C 1.750 176.433 174.700 -0.029 0.000 1.057 414 T CA 0.901 62.995 62.100 -0.009 0.000 1.136 414 T CB -0.807 68.047 68.868 -0.023 0.000 0.874 414 T HN 0.072 nan 8.240 nan 0.000 0.466 415 I N 0.689 121.235 120.570 -0.041 0.000 2.226 415 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 415 I C 2.520 178.618 176.117 -0.031 0.000 1.100 415 I CA 1.037 62.307 61.300 -0.050 0.000 1.374 415 I CB -0.203 37.764 38.000 -0.056 0.000 1.057 415 I HN 0.060 nan 8.210 nan 0.000 0.413 416 K N 0.929 121.318 120.400 -0.019 0.000 2.097 416 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 416 K C 2.161 178.758 176.600 -0.005 0.000 1.049 416 K CA 1.480 57.761 56.287 -0.011 0.000 0.933 416 K CB -0.545 31.953 32.500 -0.003 0.000 0.717 416 K HN 0.324 nan 8.250 nan 0.000 0.442 417 A N 1.040 123.862 122.820 0.002 0.000 1.877 417 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 417 A C 2.511 180.094 177.584 -0.002 0.000 1.186 417 A CA 1.587 53.630 52.037 0.009 0.000 0.620 417 A CB -0.644 18.370 19.000 0.024 0.000 0.822 417 A HN 0.058 nan 8.150 nan 0.000 0.443 418 V N 0.329 120.241 119.914 -0.003 0.000 2.358 418 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 418 V C 2.367 178.461 176.094 -0.000 0.000 1.047 418 V CA 2.216 64.524 62.300 0.014 0.000 1.035 418 V CB -0.898 30.921 31.823 -0.007 0.000 0.658 418 V HN 0.637 nan 8.190 nan 0.000 0.452 419 E N 0.465 120.658 120.200 -0.013 0.000 2.106 419 E HA -0.156 4.193 4.350 -0.000 0.000 0.192 419 E C 2.333 178.918 176.600 -0.024 0.000 0.984 419 E CA 1.217 57.609 56.400 -0.014 0.000 0.806 419 E CB -0.306 29.384 29.700 -0.015 0.000 0.750 419 E HN 0.608 nan 8.360 nan 0.000 0.458 420 A N 1.113 123.916 122.820 -0.030 0.000 1.898 420 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 420 A C 2.511 180.035 177.584 -0.099 0.000 1.181 420 A CA 1.058 53.071 52.037 -0.039 0.000 0.620 420 A CB -0.620 18.368 19.000 -0.020 0.000 0.819 420 A HN 0.110 nan 8.150 nan 0.000 0.442 421 V N 0.448 120.277 119.914 -0.142 0.000 2.407 421 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 421 V C 2.255 178.194 176.094 -0.257 0.000 1.055 421 V CA 2.437 64.545 62.300 -0.320 0.000 1.049 421 V CB -0.805 30.864 31.823 -0.256 0.000 0.662 421 V HN 0.730 nan 8.190 nan 0.000 0.455 422 D N -0.153 120.188 120.400 -0.099 0.000 2.144 422 D HA -0.227 4.413 4.640 -0.000 0.000 0.199 422 D C 2.213 178.506 176.300 -0.013 0.000 0.984 422 D CA 1.456 55.445 54.000 -0.019 0.000 0.834 422 D CB -0.034 40.785 40.800 0.032 0.000 0.955 422 D HN 0.544 nan 8.370 nan 0.000 0.465 423 E N -0.810 119.372 120.200 -0.029 0.000 2.077 423 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 423 E C 1.864 178.467 176.600 0.004 0.000 0.989 423 E CA 1.146 57.545 56.400 -0.001 0.000 0.800 423 E CB -0.069 29.634 29.700 0.005 0.000 0.746 423 E HN 0.389 nan 8.360 nan 0.000 0.452 424 C N 0.438 119.698 119.300 -0.067 0.000 2.446 424 C HA -0.096 4.363 4.460 -0.000 0.000 0.277 424 C C 2.604 177.598 174.990 0.006 0.000 1.275 424 C CA 0.316 59.300 59.018 -0.058 0.000 1.727 424 C CB -0.976 26.614 27.740 -0.250 0.000 2.010 424 C HN 0.516 nan 8.230 nan 0.000 0.486 425 L N 2.061 123.253 121.223 -0.051 0.000 2.042 425 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 425 L C 2.411 179.415 176.870 0.222 0.000 1.076 425 L CA 2.436 57.348 54.840 0.119 0.000 0.749 425 L CB -1.222 40.915 42.059 0.129 0.000 0.893 425 L HN 0.333 nan 8.230 nan 0.000 0.432 426 G N -0.870 108.053 108.800 0.204 0.000 2.418 426 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 426 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 426 G C 1.677 176.697 174.900 0.200 0.000 1.158 426 G CA 0.904 46.152 45.100 0.248 0.000 0.771 426 G HN 0.428 nan 8.290 nan 0.000 0.545 427 K N -0.107 120.376 120.400 0.138 0.000 2.026 427 K HA -0.004 4.316 4.320 -0.000 0.000 0.208 427 K C 2.605 179.271 176.600 0.110 0.000 1.048 427 K CA 1.096 57.451 56.287 0.114 0.000 0.929 427 K CB -0.314 32.246 32.500 0.100 0.000 0.713 427 K HN 0.215 nan 8.250 nan 0.000 0.439 428 V N 1.031 121.020 119.914 0.125 0.000 2.270 428 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 428 V C 2.297 178.422 176.094 0.052 0.000 1.043 428 V CA 1.501 63.860 62.300 0.098 0.000 1.014 428 V CB -0.318 31.589 31.823 0.141 0.000 0.645 428 V HN 0.074 nan 8.190 nan 0.000 0.447 429 V N 0.274 120.212 119.914 0.041 0.000 2.343 429 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 429 V C 2.267 178.346 176.094 -0.025 0.000 1.051 429 V CA 2.180 64.425 62.300 -0.091 0.000 1.036 429 V CB -0.743 30.863 31.823 -0.361 0.000 0.654 429 V HN 0.549 nan 8.190 nan 0.000 0.451 430 D N 0.343 120.804 120.400 0.102 0.000 2.144 430 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 430 D C 2.206 178.543 176.300 0.063 0.000 0.984 430 D CA 1.557 55.626 54.000 0.115 0.000 0.834 430 D CB -0.275 40.614 40.800 0.149 0.000 0.955 430 D HN 0.448 nan 8.370 nan 0.000 0.465 431 A N 0.868 123.720 122.820 0.053 0.000 1.898 431 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 431 A C 2.174 179.770 177.584 0.019 0.000 1.181 431 A CA 0.703 52.763 52.037 0.038 0.000 0.620 431 A CB -0.406 18.619 19.000 0.042 0.000 0.819 431 A HN 0.105 nan 8.150 nan 0.000 0.442 432 I N -0.009 120.560 120.570 -0.001 0.000 2.179 432 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 432 I C 2.461 178.560 176.117 -0.030 0.000 1.088 432 I CA 1.281 62.568 61.300 -0.023 0.000 1.357 432 I CB -1.272 36.694 38.000 -0.058 0.000 1.051 432 I HN 0.295 nan 8.210 nan 0.000 0.409 433 L N 0.569 121.772 121.223 -0.034 0.000 2.083 433 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 433 L C 2.741 179.618 176.870 0.011 0.000 1.083 433 L CA 1.187 56.015 54.840 -0.020 0.000 0.752 433 L CB -0.658 41.403 42.059 0.004 0.000 0.899 433 L HN 0.174 nan 8.230 nan 0.000 0.433 434 A N -0.554 122.279 122.820 0.022 0.000 2.019 434 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 434 A C 2.088 179.683 177.584 0.017 0.000 1.164 434 A CA 1.363 53.416 52.037 0.027 0.000 0.644 434 A CB -0.203 18.817 19.000 0.033 0.000 0.805 434 A HN 0.173 nan 8.150 nan 0.000 0.449 435 K N -1.162 119.244 120.400 0.010 0.000 2.444 435 K HA 0.152 4.472 4.320 -0.000 0.000 0.193 435 K C 1.068 177.668 176.600 0.000 0.000 1.024 435 K CA 0.682 56.973 56.287 0.007 0.000 1.077 435 K CB -0.204 32.300 32.500 0.007 0.000 0.833 435 K HN 0.755 nan 8.250 nan 0.000 0.517 436 G N 0.978 109.777 108.800 -0.001 0.000 2.143 436 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 436 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 436 G C 0.499 175.387 174.900 -0.019 0.000 0.991 436 G CA 0.228 45.324 45.100 -0.006 0.000 0.689 436 G HN 0.529 nan 8.290 nan 0.000 0.522 437 G N -1.124 107.660 108.800 -0.028 0.000 2.537 437 G HA2 0.694 4.654 3.960 -0.000 0.000 0.297 437 G HA3 0.694 4.654 3.960 -0.000 0.000 0.297 437 G C -0.353 174.501 174.900 -0.077 0.000 1.310 437 G CA -0.675 44.400 45.100 -0.043 0.000 1.027 437 G HN 0.466 nan 8.290 nan 0.000 0.505 438 I N 0.009 120.523 120.570 -0.093 0.000 2.582 438 I HA 0.562 4.732 4.170 -0.000 0.000 0.292 438 I C 0.054 176.079 176.117 -0.153 0.000 1.066 438 I CA -1.069 60.146 61.300 -0.143 0.000 1.053 438 I CB 1.304 39.231 38.000 -0.121 0.000 1.241 438 I HN 0.597 nan 8.210 nan 0.000 0.421 439 A N 6.869 129.556 122.820 -0.221 0.000 2.337 439 A HA 0.871 5.190 4.320 -0.000 0.000 0.329 439 A C -0.636 176.834 177.584 -0.190 0.000 1.146 439 A CA -0.502 51.415 52.037 -0.200 0.000 0.800 439 A CB 1.057 19.905 19.000 -0.253 0.000 1.220 439 A HN 0.612 nan 8.150 nan 0.000 0.472 440 I N 3.245 123.740 120.570 -0.125 0.000 2.390 440 I HA 0.276 4.446 4.170 -0.000 0.000 0.283 440 I C -0.837 175.242 176.117 -0.063 0.000 1.016 440 I CA -0.048 61.198 61.300 -0.090 0.000 1.151 440 I CB 1.027 38.989 38.000 -0.062 0.000 1.293 440 I HN 0.483 nan 8.210 nan 0.000 0.458 441 I N 5.826 126.367 120.570 -0.049 0.000 2.315 441 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 441 I C 0.411 176.565 176.117 0.061 0.000 1.006 441 I CA 0.206 61.509 61.300 0.005 0.000 1.265 441 I CB 1.527 39.540 38.000 0.023 0.000 1.387 441 I HN 0.550 nan 8.210 nan 0.000 0.475 442 T N 3.993 118.569 114.554 0.037 0.000 2.612 442 T HA 0.879 5.229 4.350 -0.000 0.000 0.296 442 T C -1.732 172.964 174.700 -0.006 0.000 1.148 442 T CA -0.279 61.850 62.100 0.049 0.000 1.077 442 T CB 1.686 70.571 68.868 0.029 0.000 1.591 442 T HN 0.698 nan 8.240 nan 0.000 0.479 443 A N 0.254 123.068 122.820 -0.010 0.000 2.602 443 A HA 0.656 4.976 4.320 -0.000 0.000 0.290 443 A C -0.426 177.097 177.584 -0.101 0.000 1.114 443 A CA 0.143 52.144 52.037 -0.061 0.000 0.683 443 A CB 1.167 20.163 19.000 -0.007 0.000 1.281 443 A HN 0.824 nan 8.150 nan 0.000 0.416 444 D N -0.959 119.325 120.400 -0.193 0.000 2.392 444 D HA 0.261 4.901 4.640 -0.000 0.000 0.206 444 D C 0.306 176.580 176.300 -0.043 0.000 1.046 444 D CA 1.400 55.313 54.000 -0.145 0.000 0.865 444 D CB -0.077 40.638 40.800 -0.141 0.000 0.969 444 D HN 0.921 nan 8.370 nan 0.000 0.509 445 H N -3.708 115.330 119.070 -0.055 0.000 2.882 445 H HA 0.507 5.063 4.556 -0.000 0.000 0.258 445 H C -0.411 174.854 175.328 -0.105 0.000 1.435 445 H CA -0.946 55.054 56.048 -0.079 0.000 1.190 445 H CB 0.543 30.222 29.762 -0.139 0.000 1.800 445 H HN 0.022 nan 8.280 nan 0.000 0.452 446 G N -0.660 108.178 108.800 0.065 0.000 2.502 446 G HA2 0.443 4.403 3.960 -0.000 0.000 0.305 446 G HA3 0.443 4.403 3.960 -0.000 0.000 0.305 446 G C -0.138 174.793 174.900 0.052 0.000 1.190 446 G CA 0.279 45.380 45.100 0.002 0.000 0.933 446 G HN 0.918 nan 8.290 nan 0.000 0.503 447 N N -1.881 116.804 118.700 -0.025 0.000 2.565 447 N HA -0.096 4.643 4.740 -0.000 0.000 0.328 447 N C 1.835 177.302 175.510 -0.071 0.000 0.599 447 N CA 0.803 53.842 53.050 -0.018 0.000 1.240 447 N CB -0.840 37.614 38.487 -0.056 0.000 1.951 447 N HN 0.555 nan 8.380 nan 0.000 1.657 448 A N 1.281 124.035 122.820 -0.110 0.000 2.076 448 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 448 A C 1.302 178.783 177.584 -0.172 0.000 1.160 448 A CA 2.077 54.034 52.037 -0.132 0.000 0.653 448 A CB -0.731 18.181 19.000 -0.147 0.000 0.801 448 A HN 0.694 nan 8.150 nan 0.000 0.455 449 D N -0.618 119.667 120.400 -0.191 0.000 2.348 449 D HA -0.092 4.548 4.640 -0.000 0.000 0.216 449 D C 0.579 176.815 176.300 -0.107 0.000 0.970 449 D CA 0.764 54.649 54.000 -0.192 0.000 0.889 449 D CB -0.044 40.636 40.800 -0.200 0.000 0.912 449 D HN 0.622 nan 8.370 nan 0.000 0.524 450 E N 0.561 120.721 120.200 -0.067 0.000 2.649 450 E HA 0.194 4.544 4.350 -0.000 0.000 0.310 450 E C -0.021 176.572 176.600 -0.012 0.000 1.036 450 E CA -0.287 56.099 56.400 -0.023 0.000 0.772 450 E CB 1.727 31.430 29.700 0.005 0.000 1.513 450 E HN -0.018 nan 8.360 nan 0.000 0.384 451 V N 1.665 121.565 119.914 -0.023 0.000 3.578 451 V HA 0.456 4.576 4.120 -0.000 0.000 0.290 451 V C 0.100 176.197 176.094 0.006 0.000 1.376 451 V CA -0.078 62.216 62.300 -0.010 0.000 1.083 451 V CB -0.143 31.665 31.823 -0.025 0.000 0.911 451 V HN 0.382 nan 8.190 nan 0.000 0.433 452 L N 1.537 122.772 121.223 0.019 0.000 2.401 452 L HA 0.618 4.957 4.340 -0.000 0.000 0.266 452 L C 0.404 177.350 176.870 0.127 0.000 0.991 452 L CA -0.375 54.501 54.840 0.059 0.000 0.818 452 L CB 2.491 44.563 42.059 0.021 0.000 1.321 452 L HN 0.286 nan 8.230 nan 0.000 0.413 453 T N -1.762 112.861 114.554 0.115 0.000 2.788 453 T HA 0.248 4.598 4.350 -0.000 0.000 0.287 453 T C -1.982 172.792 174.700 0.122 0.000 1.007 453 T CA -1.478 60.676 62.100 0.090 0.000 1.005 453 T CB 1.027 69.921 68.868 0.043 0.000 1.012 453 T HN 0.332 nan 8.240 nan 0.000 0.530 454 P HA -0.077 nan 4.420 nan 0.000 0.218 454 P C 0.713 177.883 177.300 -0.216 0.000 1.146 454 P CA 1.317 64.303 63.100 -0.191 0.000 0.813 454 P CB -0.221 31.385 31.700 -0.158 0.000 0.778 455 D N -2.927 117.441 120.400 -0.053 0.000 2.340 455 D HA 0.164 4.804 4.640 -0.000 0.000 0.220 455 D C 1.300 177.644 176.300 0.072 0.000 1.039 455 D CA 0.520 54.508 54.000 -0.020 0.000 0.866 455 D CB -0.761 40.029 40.800 -0.017 0.000 0.913 455 D HN 0.145 nan 8.370 nan 0.000 0.523 456 G N -0.167 108.745 108.800 0.186 0.000 2.157 456 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.239 456 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.239 456 G C 0.194 175.152 174.900 0.095 0.000 0.982 456 G CA 0.012 45.242 45.100 0.216 0.000 0.650 456 G HN 0.411 nan 8.290 nan 0.000 0.527 457 K N 0.628 121.067 120.400 0.064 0.000 2.090 457 K HA 0.475 4.795 4.320 -0.000 0.000 0.250 457 K C -2.498 174.117 176.600 0.025 0.000 1.004 457 K CA -1.990 54.311 56.287 0.022 0.000 0.919 457 K CB 0.767 33.263 32.500 -0.007 0.000 1.045 457 K HN -0.037 nan 8.250 nan 0.000 0.471 458 P HA -0.060 nan 4.420 nan 0.000 0.264 458 P C -1.018 176.299 177.300 0.029 0.000 1.193 458 P CA 0.191 63.304 63.100 0.023 0.000 0.763 458 P CB 0.499 32.215 31.700 0.026 0.000 0.810 459 Q N 2.453 122.277 119.800 0.039 0.000 2.413 459 Q HA 0.174 4.514 4.340 -0.000 0.000 0.258 459 Q C 0.361 176.397 176.000 0.059 0.000 1.037 459 Q CA -0.053 55.777 55.803 0.044 0.000 0.764 459 Q CB 0.819 29.582 28.738 0.042 0.000 1.217 459 Q HN 0.490 nan 8.270 nan 0.000 0.490 460 T N -0.455 114.148 114.554 0.081 0.000 3.107 460 T HA 0.501 4.850 4.350 -0.000 0.000 0.249 460 T C 0.655 175.474 174.700 0.199 0.000 1.096 460 T CA 0.358 62.541 62.100 0.138 0.000 1.012 460 T CB 0.422 69.376 68.868 0.143 0.000 0.977 460 T HN 0.380 nan 8.240 nan 0.000 0.527 461 A N 0.564 123.455 122.820 0.118 0.000 2.452 461 A HA 0.693 5.013 4.320 -0.000 0.000 0.285 461 A C -0.259 177.400 177.584 0.125 0.000 1.209 461 A CA -0.988 51.110 52.037 0.103 0.000 0.940 461 A CB 0.402 19.423 19.000 0.036 0.000 1.440 461 A HN 0.578 nan 8.150 nan 0.000 0.480 462 H N -1.097 117.997 119.070 0.039 0.000 2.548 462 H HA 0.462 5.017 4.556 -0.000 0.000 0.366 462 H C 0.518 175.864 175.328 0.030 0.000 1.433 462 H CA 0.278 56.338 56.048 0.021 0.000 1.443 462 H CB 0.766 30.517 29.762 -0.018 0.000 1.594 462 H HN 0.797 nan 8.280 nan 0.000 0.608 463 T N -2.814 111.850 114.554 0.183 0.000 2.888 463 T HA 0.193 4.543 4.350 -0.000 0.000 0.288 463 T C 0.796 175.556 174.700 0.099 0.000 1.063 463 T CA -0.482 61.678 62.100 0.101 0.000 1.010 463 T CB 1.427 70.326 68.868 0.052 0.000 1.214 463 T HN 0.709 nan 8.240 nan 0.000 0.533 464 T N -1.857 112.740 114.554 0.071 0.000 3.134 464 T HA 0.291 4.641 4.350 -0.000 0.000 0.260 464 T C 0.208 174.942 174.700 0.056 0.000 1.027 464 T CA -0.586 61.555 62.100 0.068 0.000 0.913 464 T CB -1.073 67.830 68.868 0.058 0.000 1.046 464 T HN 0.643 nan 8.240 nan 0.000 0.553 465 N N 3.604 122.330 118.700 0.044 0.000 2.482 465 N HA 0.277 5.017 4.740 -0.000 0.000 0.260 465 N C -2.553 172.983 175.510 0.043 0.000 1.236 465 N CA -1.410 51.659 53.050 0.032 0.000 0.938 465 N CB 0.605 39.094 38.487 0.003 0.000 1.128 465 N HN 0.255 nan 8.380 nan 0.000 0.448 466 P HA 0.013 nan 4.420 nan 0.000 0.272 466 P C -0.604 176.746 177.300 0.082 0.000 1.223 466 P CA -0.307 62.836 63.100 0.072 0.000 0.784 466 P CB 0.777 32.528 31.700 0.084 0.000 0.923 467 V N -1.234 118.741 119.914 0.101 0.000 2.716 467 V HA 0.594 4.714 4.120 -0.000 0.000 0.304 467 V C -2.311 173.903 176.094 0.200 0.000 1.053 467 V CA -2.822 59.556 62.300 0.129 0.000 0.984 467 V CB 1.107 32.983 31.823 0.088 0.000 1.021 467 V HN 0.458 nan 8.190 nan 0.000 0.467 468 P HA 0.463 nan 4.420 nan 0.000 0.276 468 P C -1.083 176.425 177.300 0.348 0.000 1.244 468 P CA -0.384 62.980 63.100 0.438 0.000 0.801 468 P CB 1.801 33.865 31.700 0.606 0.000 1.006 469 V N 2.791 122.928 119.914 0.372 0.000 2.655 469 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 469 V C -0.046 176.146 176.094 0.164 0.000 1.082 469 V CA -0.344 62.077 62.300 0.203 0.000 0.899 469 V CB 1.733 33.630 31.823 0.122 0.000 1.014 469 V HN 0.400 nan 8.190 nan 0.000 0.429 470 I N 4.637 125.264 120.570 0.095 0.000 2.499 470 I HA 0.553 4.723 4.170 -0.000 0.000 0.288 470 I C -0.833 175.249 176.117 -0.059 0.000 1.048 470 I CA -0.961 60.351 61.300 0.021 0.000 1.062 470 I CB 2.374 40.384 38.000 0.017 0.000 1.238 470 I HN 0.265 nan 8.210 nan 0.000 0.426 471 V N 4.138 124.003 119.914 -0.082 0.000 2.357 471 V HA 0.186 4.306 4.120 -0.000 0.000 0.284 471 V C 0.709 176.664 176.094 -0.232 0.000 1.018 471 V CA -0.580 61.639 62.300 -0.135 0.000 0.841 471 V CB 1.606 33.376 31.823 -0.088 0.000 0.991 471 V HN 0.857 nan 8.190 nan 0.000 0.437 472 T N 1.628 115.906 114.554 -0.459 0.000 4.508 472 T HA 0.249 4.599 4.350 -0.000 0.000 0.232 472 T C -0.140 174.209 174.700 -0.585 0.000 1.027 472 T CA -0.261 61.221 62.100 -1.029 0.000 0.999 472 T CB -0.528 67.622 68.868 -1.197 0.000 1.402 472 T HN 0.612 nan 8.240 nan 0.000 1.003 473 K N 1.889 122.190 120.400 -0.164 0.000 2.541 473 K HA 0.342 4.662 4.320 -0.000 0.000 0.250 473 K C -0.411 176.273 176.600 0.140 0.000 0.950 473 K CA -0.849 55.443 56.287 0.007 0.000 0.805 473 K CB 1.030 33.506 32.500 -0.040 0.000 1.166 473 K HN 0.072 nan 8.250 nan 0.000 0.430 474 K N 1.240 121.745 120.400 0.174 0.000 2.219 474 K HA 0.210 4.529 4.320 -0.000 0.000 0.258 474 K C 0.851 177.472 176.600 0.035 0.000 1.008 474 K CA 0.751 57.100 56.287 0.103 0.000 0.928 474 K CB 0.958 33.499 32.500 0.069 0.000 0.983 474 K HN 0.947 nan 8.250 nan 0.000 0.484 475 G N 0.519 109.322 108.800 0.004 0.000 2.179 475 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 475 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 475 G C 0.208 175.097 174.900 -0.019 0.000 0.977 475 G CA 0.699 45.793 45.100 -0.011 0.000 0.641 475 G HN 0.653 nan 8.290 nan 0.000 0.533 476 I N -3.649 116.908 120.570 -0.022 0.000 3.067 476 I HA 0.930 5.100 4.170 -0.000 0.000 0.312 476 I C -0.429 175.656 176.117 -0.053 0.000 1.073 476 I CA -1.609 59.671 61.300 -0.033 0.000 1.016 476 I CB 1.989 39.971 38.000 -0.030 0.000 1.227 476 I HN -0.097 nan 8.210 nan 0.000 0.456 477 K N 2.840 123.205 120.400 -0.058 0.000 2.375 477 K HA 0.661 4.981 4.320 -0.000 0.000 0.249 477 K C -1.551 175.006 176.600 -0.072 0.000 0.942 477 K CA -0.731 55.508 56.287 -0.080 0.000 0.806 477 K CB 2.856 35.313 32.500 -0.072 0.000 1.227 477 K HN 0.518 nan 8.250 nan 0.000 0.430 478 L N 3.361 124.529 121.223 -0.092 0.000 2.307 478 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 478 L C 0.386 177.225 176.870 -0.052 0.000 1.023 478 L CA -1.013 53.787 54.840 -0.066 0.000 0.810 478 L CB 1.348 43.364 42.059 -0.071 0.000 1.231 478 L HN 0.581 nan 8.230 nan 0.000 0.423 479 R N 0.556 121.039 120.500 -0.028 0.000 2.582 479 R HA 0.331 4.671 4.340 -0.000 0.000 0.271 479 R C -1.123 175.177 176.300 0.001 0.000 1.078 479 R CA -0.732 55.359 56.100 -0.015 0.000 1.127 479 R CB 0.782 31.078 30.300 -0.008 0.000 1.038 479 R HN 0.403 nan 8.270 nan 0.000 0.500 480 D N -0.071 120.335 120.400 0.011 0.000 2.387 480 D HA 0.322 4.962 4.640 -0.000 0.000 0.255 480 D C 0.897 177.218 176.300 0.034 0.000 1.081 480 D CA 0.429 54.447 54.000 0.032 0.000 0.994 480 D CB 1.272 42.095 40.800 0.038 0.000 1.127 480 D HN 0.799 nan 8.370 nan 0.000 0.513 481 G N -0.487 108.341 108.800 0.046 0.000 2.136 481 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.242 481 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.242 481 G C 0.691 175.615 174.900 0.040 0.000 0.989 481 G CA 0.137 45.263 45.100 0.042 0.000 0.682 481 G HN 0.747 nan 8.290 nan 0.000 0.522 482 G N -0.450 108.375 108.800 0.043 0.000 2.580 482 G HA2 0.793 4.753 3.960 -0.000 0.000 0.278 482 G HA3 0.793 4.753 3.960 -0.000 0.000 0.278 482 G C 0.317 175.243 174.900 0.044 0.000 1.212 482 G CA -0.218 44.905 45.100 0.038 0.000 0.939 482 G HN 1.458 nan 8.290 nan 0.000 0.513 483 I N -2.753 117.840 120.570 0.039 0.000 3.145 483 I HA 0.425 4.595 4.170 -0.000 0.000 0.313 483 I C 0.917 177.055 176.117 0.036 0.000 1.122 483 I CA -1.131 60.194 61.300 0.041 0.000 0.987 483 I CB 1.795 39.819 38.000 0.039 0.000 1.236 483 I HN 0.430 nan 8.210 nan 0.000 0.453 484 L N 1.738 122.983 121.223 0.036 0.000 2.129 484 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 484 L C 2.343 179.226 176.870 0.022 0.000 1.087 484 L CA 2.002 56.858 54.840 0.026 0.000 0.757 484 L CB -0.745 41.329 42.059 0.026 0.000 0.896 484 L HN 1.021 nan 8.230 nan 0.000 0.434 485 G N -1.044 107.772 108.800 0.028 0.000 2.708 485 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.210 485 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.210 485 G C 0.900 175.811 174.900 0.017 0.000 1.141 485 G CA 0.359 45.474 45.100 0.025 0.000 0.788 485 G HN 0.342 nan 8.290 nan 0.000 0.531 486 D N -0.157 120.252 120.400 0.016 0.000 2.360 486 D HA 0.105 4.745 4.640 -0.000 0.000 0.210 486 D C 2.423 178.725 176.300 0.003 0.000 1.047 486 D CA -0.138 53.868 54.000 0.010 0.000 0.854 486 D CB 0.433 41.240 40.800 0.013 0.000 0.936 486 D HN 0.292 nan 8.370 nan 0.000 0.514 487 L N 0.823 122.048 121.223 0.002 0.000 2.056 487 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 487 L C 2.531 179.393 176.870 -0.013 0.000 1.078 487 L CA 1.103 55.939 54.840 -0.006 0.000 0.749 487 L CB -0.316 41.738 42.059 -0.009 0.000 0.901 487 L HN -0.029 nan 8.230 nan 0.000 0.433 488 A N 0.392 123.207 122.820 -0.009 0.000 1.877 488 A HA -0.113 4.206 4.320 -0.000 0.000 0.216 488 A C -0.075 177.496 177.584 -0.020 0.000 1.186 488 A CA 1.598 53.626 52.037 -0.015 0.000 0.620 488 A CB -1.765 17.230 19.000 -0.008 0.000 0.822 488 A HN 0.253 nan 8.150 nan 0.000 0.443 489 P HA -0.089 nan 4.420 nan 0.000 0.218 489 P C 1.389 178.674 177.300 -0.025 0.000 1.148 489 P CA 1.735 64.823 63.100 -0.019 0.000 0.822 489 P CB -0.175 31.518 31.700 -0.011 0.000 0.784 490 T N -1.109 113.432 114.554 -0.023 0.000 2.777 490 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 490 T C 1.748 176.425 174.700 -0.037 0.000 1.040 490 T CA 1.133 63.216 62.100 -0.028 0.000 1.141 490 T CB -0.656 68.198 68.868 -0.025 0.000 0.868 490 T HN 0.108 nan 8.240 nan 0.000 0.444 491 M N 0.569 120.146 119.600 -0.037 0.000 2.132 491 M HA 0.016 4.496 4.480 -0.000 0.000 0.263 491 M C 1.877 178.147 176.300 -0.049 0.000 1.065 491 M CA 1.483 56.757 55.300 -0.043 0.000 1.122 491 M CB -0.232 32.345 32.600 -0.038 0.000 1.365 491 M HN 0.192 nan 8.290 nan 0.000 0.411 492 L N -0.318 120.874 121.223 -0.051 0.000 2.093 492 L HA -0.220 4.119 4.340 -0.000 0.000 0.208 492 L C 2.215 179.044 176.870 -0.068 0.000 1.085 492 L CA 1.074 55.874 54.840 -0.066 0.000 0.755 492 L CB -0.980 41.041 42.059 -0.064 0.000 0.904 492 L HN 0.369 nan 8.230 nan 0.000 0.435 493 D N 0.698 121.066 120.400 -0.054 0.000 2.097 493 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 493 D C 2.293 178.562 176.300 -0.052 0.000 0.989 493 D CA 1.394 55.365 54.000 -0.049 0.000 0.827 493 D CB 0.001 40.778 40.800 -0.040 0.000 0.966 493 D HN 0.224 nan 8.370 nan 0.000 0.456 494 L N -0.070 121.122 121.223 -0.051 0.000 2.141 494 L HA -0.090 4.249 4.340 -0.000 0.000 0.209 494 L C 2.436 179.274 176.870 -0.054 0.000 1.094 494 L CA 0.483 55.292 54.840 -0.052 0.000 0.763 494 L CB -0.180 41.846 42.059 -0.055 0.000 0.908 494 L HN 0.078 nan 8.230 nan 0.000 0.437 495 L N -0.444 120.742 121.223 -0.061 0.000 2.554 495 L HA 0.130 4.469 4.340 -0.000 0.000 0.226 495 L C 1.338 178.160 176.870 -0.080 0.000 1.137 495 L CA 0.404 55.205 54.840 -0.066 0.000 0.863 495 L CB -0.415 41.601 42.059 -0.072 0.000 0.985 495 L HN 0.446 nan 8.230 nan 0.000 0.451 496 G N 1.039 109.792 108.800 -0.079 0.000 2.221 496 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.265 496 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.265 496 G C -0.043 174.781 174.900 -0.126 0.000 1.041 496 G CA 0.010 45.060 45.100 -0.083 0.000 0.807 496 G HN 0.245 nan 8.290 nan 0.000 0.502 497 L N -0.252 120.873 121.223 -0.164 0.000 2.325 497 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 497 L C -1.852 174.901 176.870 -0.195 0.000 1.023 497 L CA -2.430 52.240 54.840 -0.284 0.000 0.811 497 L CB 1.709 43.535 42.059 -0.387 0.000 1.249 497 L HN -0.120 nan 8.230 nan 0.000 0.431 498 P HA 0.021 nan 4.420 nan 0.000 0.268 498 P C -1.091 176.190 177.300 -0.032 0.000 1.205 498 P CA -0.192 62.871 63.100 -0.060 0.000 0.771 498 P CB 0.472 32.175 31.700 0.006 0.000 0.858 499 Q N 4.251 124.039 119.800 -0.019 0.000 2.274 499 Q HA 0.270 4.610 4.340 -0.000 0.000 0.256 499 Q C -1.973 174.031 176.000 0.006 0.000 0.927 499 Q CA -1.988 53.809 55.803 -0.010 0.000 0.939 499 Q CB 0.465 29.194 28.738 -0.015 0.000 1.201 499 Q HN 0.345 nan 8.270 nan 0.000 0.426 500 P HA -0.004 nan 4.420 nan 0.000 0.272 500 P C -0.403 176.901 177.300 0.007 0.000 1.223 500 P CA -0.049 63.059 63.100 0.013 0.000 0.784 500 P CB 0.852 32.559 31.700 0.010 0.000 0.923 501 K N 1.177 121.580 120.400 0.006 0.000 2.209 501 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 501 K C 1.156 177.759 176.600 0.005 0.000 1.048 501 K CA 1.455 57.744 56.287 0.004 0.000 0.940 501 K CB -0.304 32.198 32.500 0.004 0.000 0.729 501 K HN 0.204 nan 8.250 nan 0.000 0.451 502 E N 0.887 121.090 120.200 0.006 0.000 2.204 502 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 502 E C 0.366 176.972 176.600 0.010 0.000 0.990 502 E CA 0.837 57.242 56.400 0.008 0.000 0.821 502 E CB -0.073 29.633 29.700 0.010 0.000 0.750 502 E HN 0.338 nan 8.360 nan 0.000 0.477 503 M N 1.416 121.020 119.600 0.007 0.000 2.383 503 M HA 0.055 4.535 4.480 -0.000 0.000 0.337 503 M C 0.358 176.662 176.300 0.007 0.000 1.422 503 M CA 0.098 55.403 55.300 0.007 0.000 1.333 503 M CB 0.611 33.213 32.600 0.002 0.000 1.488 503 M HN 0.044 nan 8.290 nan 0.000 0.454 504 T N -1.130 113.430 114.554 0.010 0.000 3.148 504 T HA 0.139 4.489 4.350 -0.000 0.000 0.253 504 T C 0.990 175.696 174.700 0.009 0.000 1.134 504 T CA -0.086 62.019 62.100 0.009 0.000 1.051 504 T CB -0.142 68.731 68.868 0.010 0.000 0.959 504 T HN 0.667 nan 8.240 nan 0.000 0.525 505 G N 0.727 109.533 108.800 0.010 0.000 2.651 505 G HA2 0.461 4.421 3.960 -0.000 0.000 0.260 505 G HA3 0.461 4.421 3.960 -0.000 0.000 0.260 505 G C -0.802 174.101 174.900 0.005 0.000 1.216 505 G CA -0.830 44.276 45.100 0.010 0.000 0.913 505 G HN 0.498 nan 8.290 nan 0.000 0.535 506 K N -0.463 119.940 120.400 0.004 0.000 2.427 506 K HA 0.436 4.756 4.320 -0.000 0.000 0.252 506 K C 0.025 176.622 176.600 -0.003 0.000 0.931 506 K CA -0.518 55.769 56.287 -0.000 0.000 0.793 506 K CB 1.767 34.268 32.500 0.001 0.000 1.211 506 K HN 0.545 nan 8.250 nan 0.000 0.426 507 S N 3.189 118.883 115.700 -0.009 0.000 2.561 507 S HA 0.003 4.472 4.470 -0.000 0.000 0.294 507 S C 1.201 175.794 174.600 -0.012 0.000 1.294 507 S CA -0.107 58.085 58.200 -0.014 0.000 1.055 507 S CB 0.197 63.386 63.200 -0.020 0.000 0.819 507 S HN 0.620 nan 8.310 nan 0.000 0.503 508 L N 4.482 125.698 121.223 -0.013 0.000 2.395 508 L HA 0.206 4.546 4.340 -0.000 0.000 0.218 508 L C 0.518 177.375 176.870 -0.022 0.000 1.130 508 L CA 0.283 55.116 54.840 -0.012 0.000 0.826 508 L CB -0.219 41.835 42.059 -0.009 0.000 0.941 508 L HN 0.628 nan 8.230 nan 0.000 0.451 509 I N 0.413 120.967 120.570 -0.026 0.000 2.436 509 I HA 0.028 4.198 4.170 -0.000 0.000 0.289 509 I C 0.493 176.594 176.117 -0.027 0.000 1.083 509 I CA -0.277 61.005 61.300 -0.031 0.000 1.372 509 I CB 0.741 38.721 38.000 -0.032 0.000 1.408 509 I HN -0.205 nan 8.210 nan 0.000 0.516 510 V N 0.000 119.896 119.914 -0.030 0.000 2.409 510 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 510 V CA 0.000 62.285 62.300 -0.026 0.000 1.235 510 V CB 0.000 31.806 31.823 -0.029 0.000 1.184 510 V HN 0.000 nan 8.190 nan 0.000 0.556