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 3hgj_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALLFTPLELG GLRLKNRLAM SPMCQYSATL EGEVTDWHLL HYPTRALGGV DATA SEQUENCE GLILVEATAV EPLGRISPYD LGIWSEDHLP GLKELARRIR EAGAVPGIQL DATA SEQUENCE AHAGRKAGTA RPWEGGKPLG WRVVGPSPIP FDEGYPVPEP LDEAGMERIL DATA SEQUENCE QAFVEGARRA LRAGFQVIEL HMAHGYLLSS FLSPLSNQRT DAYGGSLENR DATA SEQUENCE MRFPLQVAQA VREVVPRELP LFVRVSATDW GEGGWSLEDT LAFARRLKEL DATA SEQUENCE GVDLLDCSSG GVVLRVRIPL APGFQVPFAD AVRKRVGLRT GAVGLITTPE DATA SEQUENCE QAETLLQAGS ADLVLLGRVL LRDPYFPLRA AKALGVAPEV PPQYQRGF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.101 52.037 0.107 0.000 0.836 2 A CB 0.000 19.110 19.000 0.184 0.000 0.831 3 L N 1.619 122.869 121.223 0.046 0.000 2.079 3 L HA -0.186 3.950 4.340 -0.341 0.000 0.210 3 L C 2.452 179.303 176.870 -0.033 0.000 1.081 3 L CA 1.551 56.399 54.840 0.014 0.000 0.752 3 L CB -0.338 41.721 42.059 -0.000 0.000 0.896 3 L HN 0.853 nan 8.230 nan 0.000 0.433 4 L N -0.720 120.456 121.223 -0.079 0.000 2.129 4 L HA -0.206 3.929 4.340 -0.341 0.000 0.212 4 L C 1.303 177.843 176.870 -0.551 0.000 1.087 4 L CA 1.918 56.568 54.840 -0.316 0.000 0.757 4 L CB -0.328 41.499 42.059 -0.388 0.000 0.896 4 L HN 0.087 nan 8.230 nan 0.000 0.434 5 F N -1.293 118.667 119.950 0.017 0.000 2.772 5 F HA 0.270 4.588 4.527 -0.348 0.000 0.302 5 F C 0.767 176.570 175.800 0.005 0.000 1.136 5 F CA -0.312 57.693 58.000 0.008 0.000 1.322 5 F CB -0.412 38.586 39.000 -0.004 0.000 0.967 5 F HN -0.041 nan 8.300 nan 0.000 0.513 6 T N -1.357 113.250 114.554 0.090 0.000 2.795 6 T HA 0.529 4.675 4.350 -0.341 0.000 0.282 6 T C -2.721 172.001 174.700 0.036 0.000 0.980 6 T CA -2.720 59.418 62.100 0.063 0.000 1.012 6 T CB 1.930 70.823 68.868 0.041 0.000 0.936 6 T HN -0.238 nan 8.240 nan 0.000 0.457 7 P HA 0.241 nan 4.420 nan 0.000 0.269 7 P C -0.929 176.382 177.300 0.019 0.000 1.211 7 P CA -0.535 62.583 63.100 0.030 0.000 0.781 7 P CB 0.301 32.017 31.700 0.027 0.000 0.877 8 L N 1.579 122.814 121.223 0.020 0.000 2.381 8 L HA 0.432 4.568 4.340 -0.341 0.000 0.274 8 L C -0.806 176.080 176.870 0.026 0.000 0.988 8 L CA -0.585 54.266 54.840 0.019 0.000 0.824 8 L CB 1.724 43.793 42.059 0.018 0.000 1.263 8 L HN 0.147 nan 8.230 nan 0.000 0.410 9 E N 5.443 125.655 120.200 0.021 0.000 2.200 9 E HA 0.692 4.837 4.350 -0.341 0.000 0.283 9 E C -1.226 175.393 176.600 0.032 0.000 1.015 9 E CA 0.118 56.532 56.400 0.025 0.000 0.819 9 E CB 1.286 30.995 29.700 0.016 0.000 1.081 9 E HN 0.549 nan 8.360 nan 0.000 0.397 10 L N 1.832 123.084 121.223 0.049 0.000 2.409 10 L HA 0.683 4.819 4.340 -0.341 0.000 0.262 10 L C 1.001 177.907 176.870 0.060 0.000 0.992 10 L CA -0.831 54.048 54.840 0.065 0.000 0.817 10 L CB 1.938 44.073 42.059 0.128 0.000 1.350 10 L HN 0.733 nan 8.230 nan 0.000 0.411 11 G N 1.630 110.461 108.800 0.053 0.000 2.614 11 G HA2 -0.288 3.468 3.960 -0.341 0.000 0.303 11 G HA3 -0.288 3.468 3.960 -0.341 0.000 0.303 11 G C 0.696 175.610 174.900 0.024 0.000 1.270 11 G CA 0.365 45.487 45.100 0.037 0.000 0.988 11 G HN 1.132 nan 8.290 nan 0.000 0.551 12 G N -0.339 108.472 108.800 0.018 0.000 3.337 12 G HA2 0.600 4.355 3.960 -0.341 0.000 0.246 12 G HA3 0.600 4.355 3.960 -0.341 0.000 0.246 12 G C 0.379 175.286 174.900 0.012 0.000 1.131 12 G CA 0.967 46.074 45.100 0.012 0.000 0.773 12 G HN 1.304 nan 8.290 nan 0.000 0.544 13 L N -2.708 118.525 121.223 0.017 0.000 2.331 13 L HA 0.825 4.961 4.340 -0.341 0.000 0.268 13 L C -0.209 176.674 176.870 0.022 0.000 1.015 13 L CA -2.080 52.769 54.840 0.015 0.000 0.807 13 L CB 1.226 43.292 42.059 0.011 0.000 1.293 13 L HN -0.100 nan 8.230 nan 0.000 0.451 14 R N 1.338 121.848 120.500 0.018 0.000 2.388 14 R HA 0.618 4.753 4.340 -0.341 0.000 0.314 14 R C -1.322 174.992 176.300 0.024 0.000 0.959 14 R CA -0.538 55.574 56.100 0.021 0.000 0.851 14 R CB 0.756 31.065 30.300 0.015 0.000 1.168 14 R HN 0.826 nan 8.270 nan 0.000 0.472 15 L N 5.541 126.784 121.223 0.034 0.000 2.426 15 L HA 0.112 4.248 4.340 -0.341 0.000 0.271 15 L C 1.623 178.513 176.870 0.034 0.000 1.169 15 L CA 0.059 54.921 54.840 0.037 0.000 0.836 15 L CB 1.067 43.157 42.059 0.052 0.000 1.112 15 L HN 0.742 nan 8.230 nan 0.000 0.465 16 K N 1.370 121.791 120.400 0.036 0.000 2.366 16 K HA -0.044 4.071 4.320 -0.341 0.000 0.198 16 K C 0.159 176.799 176.600 0.067 0.000 1.044 16 K CA 0.780 57.094 56.287 0.045 0.000 0.973 16 K CB 0.073 32.598 32.500 0.042 0.000 0.767 16 K HN 0.812 nan 8.250 nan 0.000 0.475 17 N N -0.864 117.866 118.700 0.050 0.000 3.439 17 N HA 0.193 4.729 4.740 -0.341 0.000 0.313 17 N C -0.637 174.852 175.510 -0.034 0.000 1.598 17 N CA -1.152 51.905 53.050 0.012 0.000 0.830 17 N CB 0.589 39.093 38.487 0.029 0.000 1.849 17 N HN -0.151 nan 8.380 nan 0.000 0.598 18 R N -0.460 119.969 120.500 -0.118 0.000 2.546 18 R HA 0.403 4.538 4.340 -0.341 0.000 0.320 18 R C -0.450 175.807 176.300 -0.071 0.000 1.021 18 R CA -0.219 55.834 56.100 -0.080 0.000 1.088 18 R CB -0.327 29.918 30.300 -0.092 0.000 1.278 18 R HN 0.445 nan 8.270 nan 0.000 0.557 19 L N 1.121 122.302 121.223 -0.070 0.000 2.295 19 L HA 0.606 4.741 4.340 -0.341 0.000 0.285 19 L C -0.070 176.833 176.870 0.056 0.000 1.035 19 L CA -0.783 54.057 54.840 -0.000 0.000 0.806 19 L CB 1.825 43.899 42.059 0.025 0.000 1.214 19 L HN -0.012 nan 8.230 nan 0.000 0.426 20 A N 4.289 127.155 122.820 0.078 0.000 2.401 20 A HA 0.651 4.767 4.320 -0.341 0.000 0.310 20 A C -0.653 176.996 177.584 0.108 0.000 1.075 20 A CA -0.657 51.442 52.037 0.103 0.000 0.746 20 A CB 1.682 20.764 19.000 0.136 0.000 1.277 20 A HN 0.777 nan 8.150 nan 0.000 0.425 21 M N 2.560 122.232 119.600 0.119 0.000 2.184 21 M HA 0.263 4.538 4.480 -0.341 0.000 0.351 21 M C 0.310 176.697 176.300 0.145 0.000 1.395 21 M CA 0.168 55.548 55.300 0.134 0.000 1.117 21 M CB 0.349 33.043 32.600 0.157 0.000 1.708 21 M HN 0.739 nan 8.290 nan 0.000 0.468 22 S N 6.652 122.435 115.700 0.138 0.000 2.576 22 S HA 0.367 4.632 4.470 -0.341 0.000 0.276 22 S C -2.274 172.428 174.600 0.170 0.000 1.339 22 S CA -1.231 57.053 58.200 0.140 0.000 1.039 22 S CB 0.488 63.765 63.200 0.129 0.000 0.902 22 S HN 0.556 nan 8.310 nan 0.000 0.516 23 P HA 0.088 nan 4.420 nan 0.000 0.264 23 P C -1.080 176.337 177.300 0.194 0.000 1.193 23 P CA 0.379 63.577 63.100 0.163 0.000 0.763 23 P CB 0.146 31.897 31.700 0.086 0.000 0.810 24 M N 3.115 122.863 119.600 0.246 0.000 2.122 24 M HA 0.184 4.459 4.480 -0.341 0.000 0.269 24 M C -0.491 175.914 176.300 0.175 0.000 0.954 24 M CA -0.517 54.913 55.300 0.216 0.000 0.998 24 M CB 1.460 34.199 32.600 0.232 0.000 1.755 24 M HN 0.262 nan 8.290 nan 0.000 0.459 25 C N 3.010 122.353 119.300 0.072 0.000 2.465 25 C HA -0.041 4.214 4.460 -0.341 0.000 0.402 25 C C 1.576 176.464 174.990 -0.170 0.000 1.448 25 C CA 0.223 59.142 59.018 -0.165 0.000 1.589 25 C CB -0.095 27.350 27.740 -0.492 0.000 2.535 25 C HN 0.740 nan 8.230 nan 0.000 0.600 26 Q N 0.869 120.588 119.800 -0.136 0.000 2.280 26 Q HA 0.099 4.235 4.340 -0.341 0.000 0.228 26 Q C 0.237 176.324 176.000 0.145 0.000 0.857 26 Q CA 0.065 55.885 55.803 0.029 0.000 0.939 26 Q CB 0.021 28.812 28.738 0.088 0.000 1.114 26 Q HN 0.905 nan 8.270 nan 0.000 0.514 27 Y N -0.077 120.360 120.300 0.228 0.000 3.305 27 Y HA -0.263 4.081 4.550 -0.342 0.000 0.212 27 Y C 0.641 176.655 175.900 0.191 0.000 1.248 27 Y CA 0.939 59.156 58.100 0.195 0.000 1.359 27 Y CB -2.595 35.879 38.460 0.022 0.000 1.407 27 Y HN -0.057 nan 8.280 nan 0.000 0.572 28 S N -1.966 113.890 115.700 0.259 0.000 2.819 28 S HA 0.619 4.884 4.470 -0.341 0.000 0.249 28 S C 1.029 175.835 174.600 0.342 0.000 1.030 28 S CA -0.009 58.256 58.200 0.108 0.000 1.052 28 S CB 0.314 63.325 63.200 -0.315 0.000 1.017 28 S HN 0.590 nan 8.310 nan 0.000 0.576 29 A N 2.190 125.296 122.820 0.476 0.000 2.280 29 A HA 0.606 4.721 4.320 -0.341 0.000 0.268 29 A C 0.948 178.770 177.584 0.397 0.000 1.111 29 A CA -0.249 52.051 52.037 0.440 0.000 0.814 29 A CB -0.212 18.953 19.000 0.276 0.000 1.093 29 A HN 0.398 nan 8.150 nan 0.000 0.498 30 T N -1.285 113.458 114.554 0.314 0.000 2.748 30 T HA 0.261 4.407 4.350 -0.341 0.000 0.304 30 T C 1.199 176.089 174.700 0.317 0.000 1.041 30 T CA 0.032 62.318 62.100 0.311 0.000 1.033 30 T CB 0.098 69.092 68.868 0.210 0.000 0.995 30 T HN 0.423 nan 8.240 nan 0.000 0.536 31 L N 0.340 121.727 121.223 0.274 0.000 2.197 31 L HA -0.112 4.024 4.340 -0.341 0.000 0.215 31 L C 2.508 179.469 176.870 0.151 0.000 1.095 31 L CA 1.562 56.468 54.840 0.109 0.000 0.764 31 L CB -0.345 41.773 42.059 0.098 0.000 0.897 31 L HN 0.724 nan 8.230 nan 0.000 0.436 32 E N -0.771 119.549 120.200 0.200 0.000 2.463 32 E HA 0.121 4.267 4.350 -0.341 0.000 0.193 32 E C 1.356 178.133 176.600 0.294 0.000 1.041 32 E CA 0.726 57.286 56.400 0.267 0.000 0.879 32 E CB 0.616 30.403 29.700 0.145 0.000 0.997 32 E HN 0.452 nan 8.360 nan 0.000 0.478 33 G N 2.124 111.060 108.800 0.227 0.000 2.143 33 G HA2 -0.289 3.466 3.960 -0.341 0.000 0.249 33 G HA3 -0.289 3.466 3.960 -0.341 0.000 0.249 33 G C -0.046 174.859 174.900 0.008 0.000 0.981 33 G CA 0.179 45.311 45.100 0.053 0.000 0.665 33 G HN 0.313 nan 8.290 nan 0.000 0.528 34 E N -0.277 119.996 120.200 0.122 0.000 2.343 34 E HA 0.487 4.632 4.350 -0.341 0.000 0.269 34 E C 0.800 177.454 176.600 0.089 0.000 1.047 34 E CA -0.700 55.767 56.400 0.112 0.000 0.874 34 E CB 1.732 31.494 29.700 0.103 0.000 1.033 34 E HN 0.113 nan 8.360 nan 0.000 0.409 35 V N 2.594 122.534 119.914 0.044 0.000 2.763 35 V HA 0.057 3.972 4.120 -0.341 0.000 0.306 35 V C 0.650 176.894 176.094 0.251 0.000 1.059 35 V CA 0.513 62.851 62.300 0.064 0.000 1.138 35 V CB 0.685 32.538 31.823 0.050 0.000 0.940 35 V HN 0.911 nan 8.190 nan 0.000 0.489 36 T N -0.123 114.729 114.554 0.497 0.000 2.773 36 T HA 0.341 4.486 4.350 -0.341 0.000 0.278 36 T C 0.604 175.496 174.700 0.320 0.000 1.011 36 T CA -0.651 61.661 62.100 0.354 0.000 1.014 36 T CB 1.337 70.401 68.868 0.327 0.000 1.293 36 T HN 0.442 nan 8.240 nan 0.000 0.554 37 D N -0.524 120.011 120.400 0.225 0.000 2.221 37 D HA -0.086 4.349 4.640 -0.341 0.000 0.204 37 D C 1.449 177.845 176.300 0.160 0.000 0.982 37 D CA 0.883 54.985 54.000 0.169 0.000 0.857 37 D CB -0.134 40.748 40.800 0.137 0.000 0.934 37 D HN 0.586 nan 8.370 nan 0.000 0.475 38 W N 1.431 122.731 121.300 -0.000 0.000 2.333 38 W HA -0.232 4.249 4.660 -0.299 0.000 0.316 38 W C 1.807 178.264 176.519 -0.104 0.000 1.215 38 W CA 1.573 58.846 57.345 -0.120 0.000 1.278 38 W CB -0.445 28.856 29.460 -0.266 0.000 1.154 38 W HN 0.206 nan 8.180 nan 0.000 0.486 39 H N 0.264 119.460 119.070 0.210 0.000 2.389 39 H HA -0.100 4.252 4.556 -0.340 0.000 0.299 39 H C 2.270 177.703 175.328 0.175 0.000 1.081 39 H CA 2.128 58.313 56.048 0.228 0.000 1.345 39 H CB -0.819 29.195 29.762 0.421 0.000 1.393 39 H HN 0.114 nan 8.280 nan 0.000 0.520 40 L N -0.101 121.262 121.223 0.235 0.000 2.362 40 L HA -0.102 4.033 4.340 -0.341 0.000 0.219 40 L C 1.918 178.813 176.870 0.041 0.000 1.134 40 L CA 0.364 55.290 54.840 0.143 0.000 0.807 40 L CB -0.104 42.025 42.059 0.117 0.000 0.927 40 L HN 0.257 nan 8.230 nan 0.000 0.447 41 L N -1.065 120.117 121.223 -0.068 0.000 2.221 41 L HA -0.063 4.073 4.340 -0.341 0.000 0.202 41 L C 2.539 179.275 176.870 -0.222 0.000 1.074 41 L CA 1.463 56.210 54.840 -0.154 0.000 0.795 41 L CB -0.467 41.450 42.059 -0.237 0.000 0.960 41 L HN 0.168 nan 8.230 nan 0.000 0.458 42 H N -1.494 117.257 119.070 -0.533 0.000 2.321 42 H HA -0.200 4.154 4.556 -0.337 0.000 0.300 42 H C 1.756 176.896 175.328 -0.313 0.000 1.087 42 H CA 2.588 58.268 56.048 -0.613 0.000 1.319 42 H CB -0.301 28.892 29.762 -0.950 0.000 1.379 42 H HN 0.404 nan 8.280 nan 0.000 0.501 43 Y N -0.379 119.835 120.300 -0.144 0.000 2.243 43 Y HA 0.089 4.440 4.550 -0.332 0.000 0.293 43 Y C -0.617 175.232 175.900 -0.086 0.000 1.124 43 Y CA 0.456 58.471 58.100 -0.142 0.000 1.159 43 Y CB -1.093 37.391 38.460 0.039 0.000 1.008 43 Y HN 0.380 nan 8.280 nan 0.000 0.527 44 P HA -0.041 nan 4.420 nan 0.000 0.229 44 P C 1.399 178.730 177.300 0.053 0.000 1.160 44 P CA 1.543 64.681 63.100 0.063 0.000 0.777 44 P CB 0.025 31.753 31.700 0.047 0.000 0.814 45 T N -0.324 114.252 114.554 0.037 0.000 2.720 45 T HA -0.154 3.992 4.350 -0.341 0.000 0.268 45 T C 1.799 176.602 174.700 0.173 0.000 1.037 45 T CA 1.463 63.634 62.100 0.118 0.000 1.144 45 T CB -0.351 68.537 68.868 0.033 0.000 0.864 45 T HN 0.081 nan 8.240 nan 0.000 0.444 46 R N 0.819 121.359 120.500 0.068 0.000 2.119 46 R HA 0.301 4.437 4.340 -0.341 0.000 0.222 46 R C 2.647 178.998 176.300 0.086 0.000 1.088 46 R CA 0.924 57.082 56.100 0.096 0.000 0.984 46 R CB -0.574 29.744 30.300 0.031 0.000 0.884 46 R HN 0.342 nan 8.270 nan 0.000 0.447 47 A N 0.944 123.801 122.820 0.062 0.000 1.908 47 A HA -0.158 3.957 4.320 -0.341 0.000 0.218 47 A C 2.059 179.634 177.584 -0.014 0.000 1.181 47 A CA 1.273 53.329 52.037 0.031 0.000 0.627 47 A CB -0.677 18.335 19.000 0.021 0.000 0.818 47 A HN 0.225 nan 8.150 nan 0.000 0.445 48 L N -0.773 120.432 121.223 -0.030 0.000 2.131 48 L HA -0.153 3.982 4.340 -0.341 0.000 0.210 48 L C 2.638 179.349 176.870 -0.264 0.000 1.092 48 L CA 1.049 55.811 54.840 -0.131 0.000 0.759 48 L CB -0.676 41.325 42.059 -0.096 0.000 0.903 48 L HN 0.535 nan 8.230 nan 0.000 0.435 49 G N -1.298 107.398 108.800 -0.173 0.000 2.598 49 G HA2 0.108 3.864 3.960 -0.341 0.000 0.215 49 G HA3 0.108 3.864 3.960 -0.341 0.000 0.215 49 G C 1.178 176.068 174.900 -0.018 0.000 1.131 49 G CA 0.653 45.663 45.100 -0.150 0.000 0.785 49 G HN 0.562 nan 8.290 nan 0.000 0.539 50 G N -1.330 107.465 108.800 -0.007 0.000 2.175 50 G HA2 -0.089 3.667 3.960 -0.341 0.000 0.182 50 G HA3 -0.089 3.667 3.960 -0.341 0.000 0.182 50 G C 0.383 175.347 174.900 0.108 0.000 1.003 50 G CA 0.133 45.250 45.100 0.029 0.000 0.666 50 G HN 1.265 nan 8.290 nan 0.000 0.506 51 V N -0.488 119.494 119.914 0.112 0.000 2.963 51 V HA 0.688 4.603 4.120 -0.341 0.000 0.306 51 V C 1.666 177.811 176.094 0.084 0.000 1.077 51 V CA 0.788 63.158 62.300 0.118 0.000 1.124 51 V CB 1.197 33.091 31.823 0.119 0.000 0.987 51 V HN 0.836 nan 8.190 nan 0.000 0.487 52 G N 2.417 111.262 108.800 0.075 0.000 2.494 52 G HA2 0.219 3.974 3.960 -0.341 0.000 0.216 52 G HA3 0.219 3.974 3.960 -0.341 0.000 0.216 52 G C 0.075 175.006 174.900 0.051 0.000 1.140 52 G CA 0.818 45.952 45.100 0.058 0.000 0.801 52 G HN 0.789 nan 8.290 nan 0.000 0.536 53 L N 0.110 121.370 121.223 0.063 0.000 2.455 53 L HA 0.630 4.766 4.340 -0.341 0.000 0.264 53 L C -1.400 175.512 176.870 0.070 0.000 0.968 53 L CA -0.945 53.929 54.840 0.057 0.000 0.827 53 L CB 2.156 44.259 42.059 0.073 0.000 1.317 53 L HN -0.051 nan 8.230 nan 0.000 0.407 54 I N 5.616 126.219 120.570 0.055 0.000 2.354 54 I HA 0.344 4.309 4.170 -0.341 0.000 0.292 54 I C -0.714 175.421 176.117 0.030 0.000 0.989 54 I CA -0.606 60.734 61.300 0.068 0.000 1.188 54 I CB 1.620 39.662 38.000 0.070 0.000 1.342 54 I HN 0.477 nan 8.210 nan 0.000 0.457 55 L N 7.206 128.457 121.223 0.046 0.000 2.270 55 L HA 0.325 4.460 4.340 -0.341 0.000 0.286 55 L C -0.074 176.788 176.870 -0.013 0.000 1.059 55 L CA -0.715 54.123 54.840 -0.004 0.000 0.839 55 L CB 1.082 43.157 42.059 0.026 0.000 1.221 55 L HN 0.328 nan 8.230 nan 0.000 0.431 56 V N 4.015 123.829 119.914 -0.168 0.000 2.617 56 V HA -0.089 3.826 4.120 -0.341 0.000 0.304 56 V C 0.934 176.994 176.094 -0.057 0.000 1.040 56 V CA -0.296 61.832 62.300 -0.286 0.000 1.149 56 V CB 0.326 31.882 31.823 -0.444 0.000 0.914 56 V HN 0.851 nan 8.190 nan 0.000 0.487 57 E N 4.206 124.502 120.200 0.159 0.000 2.556 57 E HA 0.014 4.159 4.350 -0.341 0.000 0.273 57 E C 0.371 176.990 176.600 0.032 0.000 1.175 57 E CA -0.027 56.461 56.400 0.147 0.000 1.066 57 E CB 0.364 30.189 29.700 0.210 0.000 1.036 57 E HN 0.839 nan 8.360 nan 0.000 0.471 58 A N 2.128 124.981 122.820 0.055 0.000 2.573 58 A HA 0.075 4.190 4.320 -0.341 0.000 0.250 58 A C -0.144 177.421 177.584 -0.031 0.000 1.049 58 A CA 0.511 52.579 52.037 0.052 0.000 0.767 58 A CB -0.301 18.764 19.000 0.108 0.000 0.965 58 A HN 0.495 nan 8.150 nan 0.000 0.514 59 T N 2.805 117.316 114.554 -0.070 0.000 2.815 59 T HA 0.552 4.698 4.350 -0.341 0.000 0.289 59 T C 0.262 174.886 174.700 -0.126 0.000 1.000 59 T CA 0.327 62.345 62.100 -0.137 0.000 0.958 59 T CB 1.308 70.039 68.868 -0.228 0.000 0.944 59 T HN 1.069 nan 8.240 nan 0.000 0.442 60 A N 2.551 125.324 122.820 -0.078 0.000 2.409 60 A HA 0.429 4.544 4.320 -0.341 0.000 0.262 60 A C 1.557 179.157 177.584 0.027 0.000 1.113 60 A CA -0.527 51.495 52.037 -0.025 0.000 0.790 60 A CB 0.106 19.151 19.000 0.076 0.000 1.046 60 A HN 0.980 nan 8.150 nan 0.000 0.496 61 V N -0.064 119.776 119.914 -0.122 0.000 3.406 61 V HA 0.196 4.111 4.120 -0.341 0.000 0.263 61 V C 0.414 176.532 176.094 0.041 0.000 1.172 61 V CA 1.339 63.555 62.300 -0.141 0.000 1.140 61 V CB -1.504 29.990 31.823 -0.548 0.000 0.784 61 V HN 0.936 nan 8.190 nan 0.000 0.467 62 E N -1.292 118.913 120.200 0.010 0.000 2.390 62 E HA 0.400 4.545 4.350 -0.341 0.000 0.280 62 E C -2.825 173.488 176.600 -0.479 0.000 0.992 62 E CA -1.723 54.591 56.400 -0.144 0.000 0.790 62 E CB 1.548 31.182 29.700 -0.110 0.000 1.248 62 E HN -0.082 nan 8.360 nan 0.000 0.447 63 P HA -0.121 nan 4.420 nan 0.000 0.218 63 P C 1.377 178.336 177.300 -0.569 0.000 1.148 63 P CA 0.712 63.122 63.100 -1.150 0.000 0.822 63 P CB 0.143 31.123 31.700 -1.200 0.000 0.784 64 L N -0.813 120.156 121.223 -0.423 0.000 2.362 64 L HA 0.069 4.204 4.340 -0.341 0.000 0.219 64 L C 1.957 178.706 176.870 -0.201 0.000 1.134 64 L CA 1.523 56.241 54.840 -0.203 0.000 0.807 64 L CB -1.192 40.810 42.059 -0.094 0.000 0.927 64 L HN -0.066 nan 8.230 nan 0.000 0.447 65 G N -0.955 107.529 108.800 -0.528 0.000 2.985 65 G HA2 -0.008 3.747 3.960 -0.341 0.000 0.209 65 G HA3 -0.008 3.747 3.960 -0.341 0.000 0.209 65 G C 0.741 175.428 174.900 -0.354 0.000 1.165 65 G CA -0.405 44.114 45.100 -0.969 0.000 0.776 65 G HN 0.238 nan 8.290 nan 0.000 0.541 66 R N -0.377 120.076 120.500 -0.079 0.000 2.582 66 R HA 0.372 4.508 4.340 -0.341 0.000 0.271 66 R C 0.992 177.307 176.300 0.025 0.000 1.078 66 R CA -0.442 55.690 56.100 0.053 0.000 1.127 66 R CB 1.130 31.563 30.300 0.222 0.000 1.038 66 R HN 0.081 nan 8.270 nan 0.000 0.500 67 I N 0.266 120.819 120.570 -0.029 0.000 2.185 67 I HA -0.166 3.800 4.170 -0.341 0.000 0.235 67 I C 1.218 177.298 176.117 -0.061 0.000 1.069 67 I CA 1.089 62.366 61.300 -0.038 0.000 1.354 67 I CB -0.200 37.835 38.000 0.059 0.000 1.093 67 I HN 0.625 nan 8.210 nan 0.000 0.411 68 S N 0.022 115.782 115.700 0.100 0.000 2.718 68 S HA 0.374 4.640 4.470 -0.341 0.000 0.300 68 S C -2.185 172.500 174.600 0.143 0.000 1.117 68 S CA -1.327 56.915 58.200 0.071 0.000 1.002 68 S CB 1.429 64.753 63.200 0.206 0.000 1.092 68 S HN -0.128 nan 8.310 nan 0.000 0.542 69 P HA 0.122 nan 4.420 nan 0.000 0.242 69 P C -0.637 176.323 177.300 -0.566 0.000 1.197 69 P CA 0.805 63.785 63.100 -0.199 0.000 0.765 69 P CB -0.315 31.125 31.700 -0.433 0.000 0.936 70 Y N -1.500 118.926 120.300 0.209 0.000 2.672 70 Y HA 0.294 4.640 4.550 -0.340 0.000 0.272 70 Y C 0.188 176.206 175.900 0.197 0.000 1.055 70 Y CA -1.159 57.061 58.100 0.199 0.000 1.151 70 Y CB -0.344 38.219 38.460 0.172 0.000 1.190 70 Y HN -0.183 nan 8.280 nan 0.000 0.574 71 D N 0.777 121.317 120.400 0.233 0.000 2.313 71 D HA 0.220 4.655 4.640 -0.341 0.000 0.247 71 D C 0.269 176.628 176.300 0.099 0.000 1.094 71 D CA -0.189 53.892 54.000 0.135 0.000 0.925 71 D CB 1.180 42.039 40.800 0.099 0.000 1.188 71 D HN 0.137 nan 8.370 nan 0.000 0.430 72 L N 0.929 122.158 121.223 0.009 0.000 2.506 72 L HA 0.306 4.441 4.340 -0.341 0.000 0.281 72 L C 1.137 177.873 176.870 -0.223 0.000 1.228 72 L CA 0.335 55.095 54.840 -0.134 0.000 0.850 72 L CB 0.267 42.211 42.059 -0.191 0.000 1.110 72 L HN 0.377 nan 8.230 nan 0.000 0.496 73 G N 2.265 110.726 108.800 -0.565 0.000 2.605 73 G HA2 0.613 4.369 3.960 -0.341 0.000 0.296 73 G HA3 0.613 4.369 3.960 -0.341 0.000 0.296 73 G C -0.446 173.600 174.900 -1.422 0.000 1.304 73 G CA -0.379 44.145 45.100 -0.959 0.000 0.941 73 G HN 0.650 nan 8.290 nan 0.000 0.475 74 I N 0.310 120.320 120.570 -0.933 0.000 4.026 74 I HA 0.207 4.173 4.170 -0.341 0.000 0.324 74 I C 0.963 176.976 176.117 -0.173 0.000 1.474 74 I CA -0.673 60.288 61.300 -0.565 0.000 1.107 74 I CB 0.164 37.986 38.000 -0.295 0.000 1.345 74 I HN 0.726 nan 8.210 nan 0.000 0.531 75 W N 0.650 121.966 121.300 0.027 0.000 2.937 75 W HA 0.310 4.766 4.660 -0.340 0.000 0.245 75 W C 0.592 177.190 176.519 0.132 0.000 1.306 75 W CA -0.154 57.235 57.345 0.073 0.000 1.470 75 W CB -0.559 28.921 29.460 0.033 0.000 1.132 75 W HN 0.115 nan 8.180 nan 0.000 0.675 76 S N 0.392 116.140 115.700 0.081 0.000 2.548 76 S HA 0.214 4.479 4.470 -0.341 0.000 0.286 76 S C 1.007 175.558 174.600 -0.082 0.000 1.098 76 S CA -0.550 57.615 58.200 -0.058 0.000 0.930 76 S CB 1.492 64.473 63.200 -0.365 0.000 1.070 76 S HN 0.035 nan 8.310 nan 0.000 0.480 77 E N 1.787 121.954 120.200 -0.055 0.000 2.219 77 E HA -0.126 4.019 4.350 -0.341 0.000 0.198 77 E C 0.535 177.081 176.600 -0.090 0.000 0.998 77 E CA 1.256 57.628 56.400 -0.047 0.000 0.818 77 E CB -0.050 29.634 29.700 -0.026 0.000 0.741 77 E HN 0.643 nan 8.360 nan 0.000 0.477 78 D N -0.976 119.312 120.400 -0.186 0.000 2.349 78 D HA -0.039 4.396 4.640 -0.341 0.000 0.224 78 D C 1.234 177.398 176.300 -0.226 0.000 1.029 78 D CA 0.298 54.184 54.000 -0.191 0.000 0.879 78 D CB -0.184 40.490 40.800 -0.210 0.000 0.906 78 D HN 0.449 nan 8.370 nan 0.000 0.528 79 H N -0.225 118.749 119.070 -0.160 0.000 2.495 79 H HA 0.018 4.370 4.556 -0.341 0.000 0.287 79 H C 1.898 177.166 175.328 -0.100 0.000 1.033 79 H CA -0.033 55.907 56.048 -0.180 0.000 1.307 79 H CB 0.343 29.928 29.762 -0.295 0.000 1.401 79 H HN -0.018 nan 8.280 nan 0.000 0.555 80 L N 1.005 122.247 121.223 0.032 0.000 1.971 80 L HA -0.161 3.974 4.340 -0.341 0.000 0.215 80 L C -0.619 176.263 176.870 0.020 0.000 1.072 80 L CA 1.973 56.829 54.840 0.026 0.000 0.758 80 L CB -0.946 41.117 42.059 0.006 0.000 0.889 80 L HN 0.219 nan 8.230 nan 0.000 0.433 81 P HA -0.130 nan 4.420 nan 0.000 0.215 81 P C 1.571 178.880 177.300 0.016 0.000 1.153 81 P CA 1.860 64.963 63.100 0.005 0.000 0.853 81 P CB -0.300 31.400 31.700 -0.000 0.000 0.788 82 G N -0.305 108.513 108.800 0.029 0.000 2.404 82 G HA2 -0.201 3.554 3.960 -0.341 0.000 0.215 82 G HA3 -0.201 3.554 3.960 -0.341 0.000 0.215 82 G C 1.541 176.469 174.900 0.047 0.000 1.174 82 G CA 0.488 45.614 45.100 0.044 0.000 0.780 82 G HN 0.213 nan 8.290 nan 0.000 0.537 83 L N 0.170 121.429 121.223 0.060 0.000 2.083 83 L HA -0.020 4.116 4.340 -0.341 0.000 0.209 83 L C 2.787 179.696 176.870 0.065 0.000 1.083 83 L CA 1.450 56.369 54.840 0.132 0.000 0.752 83 L CB -0.271 41.897 42.059 0.182 0.000 0.899 83 L HN 0.228 nan 8.230 nan 0.000 0.433 84 K N 0.358 120.761 120.400 0.005 0.000 2.057 84 K HA -0.269 3.847 4.320 -0.341 0.000 0.207 84 K C 2.086 178.630 176.600 -0.095 0.000 1.049 84 K CA 1.780 58.022 56.287 -0.075 0.000 0.931 84 K CB 0.057 32.531 32.500 -0.043 0.000 0.714 84 K HN 0.088 nan 8.250 nan 0.000 0.440 85 E N 0.714 120.891 120.200 -0.039 0.000 2.072 85 E HA -0.184 3.962 4.350 -0.341 0.000 0.191 85 E C 1.860 178.442 176.600 -0.031 0.000 0.985 85 E CA 0.945 57.329 56.400 -0.027 0.000 0.801 85 E CB -0.302 29.403 29.700 0.008 0.000 0.750 85 E HN 0.283 nan 8.360 nan 0.000 0.452 86 L N 0.547 121.766 121.223 -0.008 0.000 1.989 86 L HA -0.098 4.037 4.340 -0.341 0.000 0.211 86 L C 2.248 179.052 176.870 -0.110 0.000 1.071 86 L CA 2.532 57.379 54.840 0.012 0.000 0.749 86 L CB -1.260 40.853 42.059 0.090 0.000 0.890 86 L HN 0.198 nan 8.230 nan 0.000 0.431 87 A N -0.452 122.176 122.820 -0.320 0.000 1.933 87 A HA -0.258 3.857 4.320 -0.341 0.000 0.218 87 A C 2.553 179.948 177.584 -0.314 0.000 1.175 87 A CA 1.846 53.533 52.037 -0.584 0.000 0.628 87 A CB -0.699 17.586 19.000 -1.192 0.000 0.814 87 A HN 0.557 nan 8.150 nan 0.000 0.444 88 R N -0.623 119.747 120.500 -0.216 0.000 2.081 88 R HA -0.114 4.021 4.340 -0.341 0.000 0.235 88 R C 2.296 178.540 176.300 -0.093 0.000 1.131 88 R CA 1.668 57.685 56.100 -0.137 0.000 0.960 88 R CB -0.226 30.015 30.300 -0.098 0.000 0.856 88 R HN 0.466 nan 8.270 nan 0.000 0.436 89 R N 0.023 120.483 120.500 -0.067 0.000 2.115 89 R HA 0.025 4.160 4.340 -0.341 0.000 0.226 89 R C 2.261 178.544 176.300 -0.028 0.000 1.100 89 R CA 1.320 57.401 56.100 -0.031 0.000 0.980 89 R CB -0.154 30.148 30.300 0.003 0.000 0.875 89 R HN 0.285 nan 8.270 nan 0.000 0.445 90 I N -0.104 120.440 120.570 -0.043 0.000 2.179 90 I HA -0.284 3.681 4.170 -0.341 0.000 0.242 90 I C 2.586 178.674 176.117 -0.048 0.000 1.088 90 I CA 1.242 62.524 61.300 -0.031 0.000 1.357 90 I CB -0.176 37.794 38.000 -0.050 0.000 1.051 90 I HN 0.111 nan 8.210 nan 0.000 0.409 91 R N 1.029 121.480 120.500 -0.081 0.000 2.081 91 R HA -0.231 3.904 4.340 -0.341 0.000 0.235 91 R C 2.298 178.562 176.300 -0.060 0.000 1.131 91 R CA 1.787 57.842 56.100 -0.076 0.000 0.960 91 R CB -0.234 30.006 30.300 -0.100 0.000 0.856 91 R HN 0.362 nan 8.270 nan 0.000 0.436 92 E N -0.311 119.854 120.200 -0.058 0.000 2.160 92 E HA -0.198 3.948 4.350 -0.341 0.000 0.195 92 E C 1.181 177.752 176.600 -0.049 0.000 0.991 92 E CA 1.325 57.695 56.400 -0.051 0.000 0.810 92 E CB -0.069 29.604 29.700 -0.045 0.000 0.742 92 E HN 0.486 nan 8.360 nan 0.000 0.466 93 A N -0.434 122.361 122.820 -0.042 0.000 2.251 93 A HA 0.323 4.439 4.320 -0.341 0.000 0.209 93 A C 1.610 179.164 177.584 -0.049 0.000 1.187 93 A CA 0.825 52.835 52.037 -0.044 0.000 0.823 93 A CB 0.077 19.063 19.000 -0.023 0.000 0.846 93 A HN 0.496 nan 8.150 nan 0.000 0.486 94 G N -2.591 106.183 108.800 -0.043 0.000 2.229 94 G HA2 0.236 3.991 3.960 -0.341 0.000 0.189 94 G HA3 0.236 3.991 3.960 -0.341 0.000 0.189 94 G C 0.282 175.168 174.900 -0.022 0.000 1.000 94 G CA -0.012 45.064 45.100 -0.040 0.000 0.663 94 G HN 1.436 nan 8.290 nan 0.000 0.493 95 A N 0.074 122.884 122.820 -0.016 0.000 2.320 95 A HA 0.834 4.949 4.320 -0.341 0.000 0.334 95 A C 0.274 177.849 177.584 -0.016 0.000 1.147 95 A CA -0.268 51.769 52.037 -0.001 0.000 0.820 95 A CB 1.681 20.692 19.000 0.019 0.000 1.218 95 A HN 1.057 nan 8.150 nan 0.000 0.482 96 V N 3.513 123.422 119.914 -0.007 0.000 2.508 96 V HA 0.248 4.163 4.120 -0.341 0.000 0.281 96 V C -1.957 174.127 176.094 -0.016 0.000 1.041 96 V CA -0.850 61.437 62.300 -0.020 0.000 1.016 96 V CB 0.870 32.687 31.823 -0.010 0.000 0.984 96 V HN 0.769 nan 8.190 nan 0.000 0.478 97 P HA 0.317 nan 4.420 nan 0.000 0.287 97 P C -0.045 177.366 177.300 0.184 0.000 1.307 97 P CA 0.239 63.342 63.100 0.004 0.000 0.777 97 P CB 1.322 32.871 31.700 -0.253 0.000 0.883 98 G N 3.028 111.930 108.800 0.171 0.000 2.644 98 G HA2 0.752 4.508 3.960 -0.341 0.000 0.307 98 G HA3 0.752 4.508 3.960 -0.341 0.000 0.307 98 G C -1.510 173.329 174.900 -0.102 0.000 1.250 98 G CA -0.878 44.264 45.100 0.069 0.000 0.996 98 G HN 0.557 nan 8.290 nan 0.000 0.489 99 I N -0.884 119.482 120.570 -0.340 0.000 2.722 99 I HA 0.360 4.325 4.170 -0.341 0.000 0.292 99 I C -0.893 175.049 176.117 -0.293 0.000 1.267 99 I CA -0.727 60.267 61.300 -0.509 0.000 1.036 99 I CB 2.409 39.750 38.000 -1.098 0.000 1.281 99 I HN 0.502 nan 8.210 nan 0.000 0.423 100 Q N 7.189 126.875 119.800 -0.191 0.000 2.296 100 Q HA 0.493 4.628 4.340 -0.341 0.000 0.257 100 Q C -1.672 174.307 176.000 -0.036 0.000 0.942 100 Q CA -0.650 55.109 55.803 -0.074 0.000 0.939 100 Q CB 1.150 29.873 28.738 -0.025 0.000 1.198 100 Q HN 0.626 nan 8.270 nan 0.000 0.429 101 L N 2.918 124.166 121.223 0.041 0.000 2.312 101 L HA 0.725 4.861 4.340 -0.341 0.000 0.281 101 L C -0.241 176.781 176.870 0.253 0.000 1.070 101 L CA -0.574 54.317 54.840 0.085 0.000 0.805 101 L CB 1.374 43.525 42.059 0.153 0.000 1.174 101 L HN 0.686 nan 8.230 nan 0.000 0.434 102 A N 2.421 125.298 122.820 0.095 0.000 2.498 102 A HA 0.681 4.797 4.320 -0.341 0.000 0.298 102 A C -1.568 176.023 177.584 0.013 0.000 1.075 102 A CA -0.476 51.648 52.037 0.146 0.000 0.714 102 A CB 1.752 20.793 19.000 0.068 0.000 1.299 102 A HN 0.751 nan 8.150 nan 0.000 0.407 103 H N 1.297 120.397 119.070 0.050 0.000 2.840 103 H HA 0.576 4.928 4.556 -0.341 0.000 0.340 103 H C 0.321 175.643 175.328 -0.010 0.000 1.004 103 H CA 0.216 56.267 56.048 0.004 0.000 1.288 103 H CB 2.035 31.870 29.762 0.120 0.000 1.607 103 H HN 0.750 nan 8.280 nan 0.000 0.522 104 A N 3.686 126.463 122.820 -0.072 0.000 2.206 104 A HA 0.208 4.323 4.320 -0.341 0.000 0.211 104 A C 1.726 179.497 177.584 0.312 0.000 1.158 104 A CA 0.930 52.960 52.037 -0.012 0.000 0.761 104 A CB -0.536 18.355 19.000 -0.181 0.000 0.801 104 A HN 1.073 nan 8.150 nan 0.000 0.473 105 G N 1.241 110.343 108.800 0.503 0.000 2.698 105 G HA2 -0.489 3.266 3.960 -0.341 0.000 0.337 105 G HA3 -0.489 3.266 3.960 -0.341 0.000 0.337 105 G C 1.193 176.233 174.900 0.235 0.000 1.286 105 G CA 1.619 46.956 45.100 0.395 0.000 1.000 105 G HN 1.145 nan 8.290 nan 0.000 0.547 106 R N 0.877 121.468 120.500 0.152 0.000 2.316 106 R HA 0.195 4.331 4.340 -0.341 0.000 0.202 106 R C 1.647 177.980 176.300 0.056 0.000 1.029 106 R CA 1.717 57.877 56.100 0.099 0.000 1.018 106 R CB -0.131 30.210 30.300 0.067 0.000 0.888 106 R HN 0.478 nan 8.270 nan 0.000 0.471 107 K N 0.603 121.021 120.400 0.030 0.000 2.399 107 K HA 0.292 4.407 4.320 -0.341 0.000 0.204 107 K C -0.075 176.571 176.600 0.076 0.000 1.023 107 K CA -0.062 56.199 56.287 -0.044 0.000 1.127 107 K CB 1.321 33.669 32.500 -0.253 0.000 0.856 107 K HN 0.210 nan 8.250 nan 0.000 0.514 108 A N 0.864 123.730 122.820 0.077 0.000 2.425 108 A HA 0.479 4.594 4.320 -0.341 0.000 0.242 108 A C 0.936 178.385 177.584 -0.224 0.000 1.077 108 A CA 0.616 52.650 52.037 -0.005 0.000 0.781 108 A CB -0.233 18.835 19.000 0.112 0.000 1.020 108 A HN 0.457 nan 8.150 nan 0.000 0.494 109 G N 0.954 109.350 108.800 -0.673 0.000 2.401 109 G HA2 0.095 3.850 3.960 -0.341 0.000 0.283 109 G HA3 0.095 3.850 3.960 -0.341 0.000 0.283 109 G C 0.061 174.422 174.900 -0.899 0.000 1.117 109 G CA 0.442 44.557 45.100 -1.641 0.000 1.051 109 G HN 2.130 nan 8.290 nan 0.000 0.510 110 T N -2.135 112.086 114.554 -0.556 0.000 2.924 110 T HA 0.913 5.058 4.350 -0.341 0.000 0.291 110 T C 0.604 175.119 174.700 -0.309 0.000 1.045 110 T CA 0.096 61.988 62.100 -0.346 0.000 1.015 110 T CB 2.192 70.964 68.868 -0.160 0.000 1.103 110 T HN 1.845 nan 8.240 nan 0.000 0.496 111 A N 1.711 124.372 122.820 -0.265 0.000 2.448 111 A HA 0.428 4.543 4.320 -0.341 0.000 0.239 111 A C 0.706 178.059 177.584 -0.385 0.000 1.080 111 A CA -0.462 51.423 52.037 -0.254 0.000 0.779 111 A CB -0.282 18.584 19.000 -0.223 0.000 1.026 111 A HN 0.891 nan 8.150 nan 0.000 0.499 112 R N 1.347 121.545 120.500 -0.503 0.000 2.619 112 R HA 0.015 4.150 4.340 -0.341 0.000 0.268 112 R C -1.708 174.082 176.300 -0.851 0.000 0.990 112 R CA -0.373 55.139 56.100 -0.980 0.000 1.092 112 R CB -0.036 29.434 30.300 -1.384 0.000 0.935 112 R HN 0.505 nan 8.270 nan 0.000 0.415 113 P HA -0.180 nan 4.420 nan 0.000 0.216 113 P C 0.343 177.538 177.300 -0.176 0.000 1.153 113 P CA 1.366 64.253 63.100 -0.356 0.000 0.858 113 P CB -0.023 31.576 31.700 -0.168 0.000 0.789 114 W N -0.636 120.569 121.300 -0.158 0.000 3.405 114 W HA 0.332 4.793 4.660 -0.332 0.000 0.300 114 W C 0.347 176.807 176.519 -0.098 0.000 1.286 114 W CA -0.123 57.158 57.345 -0.107 0.000 1.762 114 W CB -0.908 28.491 29.460 -0.102 0.000 1.087 114 W HN -0.036 nan 8.180 nan 0.000 0.703 115 E N 0.140 120.137 120.200 -0.338 0.000 2.812 115 E HA 0.291 4.437 4.350 -0.341 0.000 0.211 115 E C 1.498 177.995 176.600 -0.172 0.000 0.986 115 E CA 0.234 56.490 56.400 -0.239 0.000 1.119 115 E CB 0.618 30.107 29.700 -0.351 0.000 1.046 115 E HN 0.360 nan 8.360 nan 0.000 0.474 116 G N 0.336 109.053 108.800 -0.137 0.000 2.254 116 G HA2 -0.316 3.439 3.960 -0.341 0.000 0.225 116 G HA3 -0.316 3.439 3.960 -0.341 0.000 0.225 116 G C 1.025 175.847 174.900 -0.131 0.000 1.003 116 G CA -0.150 44.885 45.100 -0.107 0.000 0.622 116 G HN 0.669 nan 8.290 nan 0.000 0.507 117 G N 0.598 109.282 108.800 -0.194 0.000 2.337 117 G HA2 -0.286 3.469 3.960 -0.341 0.000 0.290 117 G HA3 -0.286 3.469 3.960 -0.341 0.000 0.290 117 G C 0.410 175.211 174.900 -0.165 0.000 1.003 117 G CA 1.490 46.473 45.100 -0.194 0.000 0.825 117 G HN 0.995 nan 8.290 nan 0.000 0.509 118 K N 0.248 120.541 120.400 -0.177 0.000 2.185 118 K HA 0.382 4.497 4.320 -0.341 0.000 0.271 118 K C -2.240 174.208 176.600 -0.253 0.000 1.013 118 K CA -2.279 53.883 56.287 -0.209 0.000 0.943 118 K CB 0.559 32.959 32.500 -0.168 0.000 0.998 118 K HN 0.021 nan 8.250 nan 0.000 0.468 119 P HA 0.017 nan 4.420 nan 0.000 0.266 119 P C 0.287 177.434 177.300 -0.255 0.000 1.193 119 P CA 0.217 63.120 63.100 -0.327 0.000 0.770 119 P CB 0.394 31.863 31.700 -0.384 0.000 0.836 120 L N 1.059 122.095 121.223 -0.312 0.000 2.731 120 L HA 0.306 4.441 4.340 -0.341 0.000 0.240 120 L C 1.411 178.266 176.870 -0.025 0.000 1.120 120 L CA 0.469 55.187 54.840 -0.204 0.000 0.913 120 L CB -0.255 41.619 42.059 -0.308 0.000 1.213 120 L HN 0.724 nan 8.230 nan 0.000 0.515 121 G N -1.005 107.777 108.800 -0.030 0.000 2.132 121 G HA2 -0.217 3.539 3.960 -0.341 0.000 0.228 121 G HA3 -0.217 3.539 3.960 -0.341 0.000 0.228 121 G C -0.269 174.779 174.900 0.248 0.000 1.000 121 G CA -0.590 44.566 45.100 0.092 0.000 0.693 121 G HN 0.096 nan 8.290 nan 0.000 0.515 122 W N 0.081 121.373 121.300 -0.014 0.000 2.126 122 W HA 0.563 5.018 4.660 -0.342 0.000 0.346 122 W C 1.185 177.703 176.519 -0.003 0.000 1.279 122 W CA -1.349 55.984 57.345 -0.020 0.000 1.259 122 W CB 0.222 29.663 29.460 -0.032 0.000 1.133 122 W HN 0.060 nan 8.180 nan 0.000 0.592 123 R N 1.989 122.613 120.500 0.207 0.000 3.688 123 R HA 0.174 4.310 4.340 -0.341 0.000 0.194 123 R C 0.003 176.391 176.300 0.146 0.000 1.677 123 R CA -0.228 55.947 56.100 0.125 0.000 1.351 123 R CB -0.617 29.715 30.300 0.054 0.000 1.338 123 R HN 0.295 nan 8.270 nan 0.000 0.731 124 V N 0.115 120.135 119.914 0.176 0.000 2.953 124 V HA 0.492 4.407 4.120 -0.341 0.000 0.304 124 V C 0.414 176.595 176.094 0.145 0.000 1.073 124 V CA -0.700 61.711 62.300 0.186 0.000 1.064 124 V CB 1.480 33.414 31.823 0.185 0.000 1.047 124 V HN 0.178 nan 8.190 nan 0.000 0.478 125 V N 0.744 120.760 119.914 0.170 0.000 2.960 125 V HA 1.116 5.031 4.120 -0.341 0.000 0.315 125 V C 0.318 176.488 176.094 0.126 0.000 1.087 125 V CA 0.218 62.593 62.300 0.125 0.000 0.982 125 V CB 0.991 32.882 31.823 0.114 0.000 1.039 125 V HN 1.606 nan 8.190 nan 0.000 0.437 126 G N 0.638 109.479 108.800 0.068 0.000 2.606 126 G HA2 0.661 4.417 3.960 -0.341 0.000 0.300 126 G HA3 0.661 4.417 3.960 -0.341 0.000 0.300 126 G C -2.705 172.120 174.900 -0.125 0.000 1.360 126 G CA -0.288 44.829 45.100 0.027 0.000 0.783 126 G HN 0.498 nan 8.290 nan 0.000 0.484 127 P HA 0.137 nan 4.420 nan 0.000 0.222 127 P C 0.531 177.626 177.300 -0.342 0.000 1.153 127 P CA 0.708 63.344 63.100 -0.774 0.000 0.798 127 P CB 0.579 31.485 31.700 -1.323 0.000 0.796 128 S N -0.414 115.162 115.700 -0.208 0.000 2.588 128 S HA 0.432 4.698 4.470 -0.341 0.000 0.275 128 S C -2.847 171.717 174.600 -0.060 0.000 1.130 128 S CA -1.121 57.009 58.200 -0.116 0.000 0.855 128 S CB 2.124 65.261 63.200 -0.105 0.000 1.116 128 S HN -0.058 nan 8.310 nan 0.000 0.472 129 P HA 0.368 nan 4.420 nan 0.000 0.220 129 P C -1.087 176.211 177.300 -0.003 0.000 1.806 129 P CA 0.078 63.172 63.100 -0.010 0.000 0.976 129 P CB -0.890 30.806 31.700 -0.007 0.000 1.952 130 I N 3.408 123.976 120.570 -0.003 0.000 2.411 130 I HA 0.327 4.292 4.170 -0.341 0.000 0.284 130 I C -2.130 174.005 176.117 0.031 0.000 1.012 130 I CA -3.010 58.295 61.300 0.007 0.000 1.119 130 I CB 2.357 40.353 38.000 -0.006 0.000 1.261 130 I HN -0.074 nan 8.210 nan 0.000 0.448 131 P HA -0.068 nan 4.420 nan 0.000 0.268 131 P C 0.652 178.001 177.300 0.082 0.000 1.208 131 P CA -0.061 63.095 63.100 0.093 0.000 0.777 131 P CB 0.859 32.621 31.700 0.104 0.000 0.875 132 F N 1.609 121.498 119.950 -0.102 0.000 2.161 132 F HA -0.085 4.238 4.527 -0.341 0.000 0.300 132 F C 0.588 176.273 175.800 -0.191 0.000 1.089 132 F CA 1.854 59.701 58.000 -0.256 0.000 1.282 132 F CB -0.051 38.587 39.000 -0.605 0.000 1.010 132 F HN 0.432 nan 8.300 nan 0.000 0.485 133 D N -1.895 118.394 120.400 -0.185 0.000 2.807 133 D HA 0.088 4.523 4.640 -0.341 0.000 0.279 133 D C -1.606 174.780 176.300 0.143 0.000 1.247 133 D CA -0.656 53.248 54.000 -0.159 0.000 0.749 133 D CB 0.614 41.160 40.800 -0.423 0.000 1.264 133 D HN 0.014 nan 8.370 nan 0.000 0.421 134 E N 0.420 120.660 120.200 0.066 0.000 2.585 134 E HA 0.316 4.462 4.350 -0.341 0.000 0.252 134 E C 0.767 177.418 176.600 0.085 0.000 0.981 134 E CA 1.322 57.761 56.400 0.066 0.000 0.943 134 E CB 0.429 30.139 29.700 0.017 0.000 0.923 134 E HN 0.723 nan 8.360 nan 0.000 0.486 135 G N 3.100 111.927 108.800 0.045 0.000 2.238 135 G HA2 -0.274 3.481 3.960 -0.341 0.000 0.217 135 G HA3 -0.274 3.481 3.960 -0.341 0.000 0.217 135 G C -0.320 174.513 174.900 -0.112 0.000 0.996 135 G CA -0.449 44.614 45.100 -0.061 0.000 0.632 135 G HN 0.497 nan 8.290 nan 0.000 0.503 136 Y N 2.789 123.106 120.300 0.029 0.000 2.310 136 Y HA 0.528 4.873 4.550 -0.342 0.000 0.326 136 Y C -1.445 174.481 175.900 0.042 0.000 1.151 136 Y CA -1.818 56.313 58.100 0.053 0.000 1.195 136 Y CB 1.151 39.690 38.460 0.132 0.000 1.210 136 Y HN 0.005 nan 8.280 nan 0.000 0.483 137 P HA -0.011 nan 4.420 nan 0.000 0.268 137 P C -0.648 176.728 177.300 0.127 0.000 1.208 137 P CA -0.129 63.042 63.100 0.119 0.000 0.777 137 P CB 0.777 32.540 31.700 0.103 0.000 0.875 138 V N 4.987 124.953 119.914 0.087 0.000 2.479 138 V HA 0.092 4.008 4.120 -0.341 0.000 0.281 138 V C -1.326 174.809 176.094 0.068 0.000 1.031 138 V CA -0.974 61.368 62.300 0.070 0.000 1.038 138 V CB -0.004 31.846 31.823 0.045 0.000 0.981 138 V HN 0.651 nan 8.190 nan 0.000 0.478 139 P HA 0.111 nan 4.420 nan 0.000 0.272 139 P C -0.503 176.821 177.300 0.041 0.000 1.230 139 P CA -0.379 62.761 63.100 0.066 0.000 0.788 139 P CB 0.862 32.597 31.700 0.059 0.000 0.949 140 E N 2.516 122.742 120.200 0.043 0.000 2.115 140 E HA 0.266 4.411 4.350 -0.341 0.000 0.282 140 E C -2.108 174.495 176.600 0.006 0.000 0.987 140 E CA -2.751 53.663 56.400 0.024 0.000 0.797 140 E CB 0.552 30.269 29.700 0.029 0.000 1.086 140 E HN 0.255 nan 8.360 nan 0.000 0.397 141 P HA -0.012 nan 4.420 nan 0.000 0.268 141 P C -0.400 176.879 177.300 -0.036 0.000 1.204 141 P CA 0.262 63.337 63.100 -0.041 0.000 0.768 141 P CB 0.555 32.228 31.700 -0.046 0.000 0.842 142 L N 3.542 124.738 121.223 -0.044 0.000 2.380 142 L HA 0.140 4.275 4.340 -0.341 0.000 0.273 142 L C 1.276 178.093 176.870 -0.088 0.000 1.138 142 L CA -0.244 54.560 54.840 -0.061 0.000 0.832 142 L CB 0.046 42.063 42.059 -0.071 0.000 1.124 142 L HN 0.446 nan 8.230 nan 0.000 0.454 143 D N 0.953 121.301 120.400 -0.087 0.000 2.432 143 D HA 0.077 4.512 4.640 -0.341 0.000 0.258 143 D C 0.565 176.778 176.300 -0.145 0.000 1.146 143 D CA -0.619 53.329 54.000 -0.087 0.000 1.015 143 D CB 0.609 41.380 40.800 -0.047 0.000 1.107 143 D HN 0.470 nan 8.370 nan 0.000 0.529 144 E N -0.557 119.573 120.200 -0.118 0.000 2.265 144 E HA -0.139 4.007 4.350 -0.341 0.000 0.196 144 E C 1.772 178.301 176.600 -0.118 0.000 0.996 144 E CA 1.024 57.335 56.400 -0.147 0.000 0.832 144 E CB -0.143 29.535 29.700 -0.037 0.000 0.756 144 E HN 0.563 nan 8.360 nan 0.000 0.491 145 A N 1.164 123.937 122.820 -0.078 0.000 1.897 145 A HA -0.035 4.080 4.320 -0.341 0.000 0.215 145 A C 2.422 179.963 177.584 -0.071 0.000 1.181 145 A CA 1.428 53.432 52.037 -0.055 0.000 0.620 145 A CB -0.901 18.079 19.000 -0.034 0.000 0.821 145 A HN 0.348 nan 8.150 nan 0.000 0.443 146 G N -0.626 108.116 108.800 -0.096 0.000 2.418 146 G HA2 -0.206 3.550 3.960 -0.341 0.000 0.217 146 G HA3 -0.206 3.550 3.960 -0.341 0.000 0.217 146 G C 1.640 176.446 174.900 -0.156 0.000 1.158 146 G CA 1.152 46.193 45.100 -0.099 0.000 0.771 146 G HN 0.447 nan 8.290 nan 0.000 0.545 147 M N 0.010 119.422 119.600 -0.313 0.000 2.175 147 M HA -0.002 4.273 4.480 -0.341 0.000 0.264 147 M C 2.417 178.635 176.300 -0.136 0.000 1.063 147 M CA 1.616 56.581 55.300 -0.559 0.000 1.119 147 M CB -0.089 31.827 32.600 -1.139 0.000 1.377 147 M HN 0.314 nan 8.290 nan 0.000 0.415 148 E N 0.801 120.951 120.200 -0.084 0.000 2.072 148 E HA -0.192 3.953 4.350 -0.341 0.000 0.191 148 E C 1.948 178.580 176.600 0.053 0.000 0.985 148 E CA 1.414 57.826 56.400 0.021 0.000 0.801 148 E CB -0.166 29.538 29.700 0.007 0.000 0.750 148 E HN 0.298 nan 8.360 nan 0.000 0.452 149 R N 0.282 120.796 120.500 0.024 0.000 2.080 149 R HA -0.140 3.995 4.340 -0.341 0.000 0.236 149 R C 2.381 178.727 176.300 0.078 0.000 1.137 149 R CA 1.966 58.089 56.100 0.038 0.000 0.943 149 R CB -0.480 29.828 30.300 0.013 0.000 0.846 149 R HN 0.323 nan 8.270 nan 0.000 0.431 150 I N 0.990 121.619 120.570 0.098 0.000 2.226 150 I HA -0.297 3.668 4.170 -0.341 0.000 0.245 150 I C 2.539 178.844 176.117 0.313 0.000 1.100 150 I CA 0.909 62.314 61.300 0.175 0.000 1.374 150 I CB -0.266 37.827 38.000 0.155 0.000 1.057 150 I HN 0.290 nan 8.210 nan 0.000 0.413 151 L N 0.414 121.824 121.223 0.313 0.000 2.013 151 L HA -0.291 3.844 4.340 -0.341 0.000 0.212 151 L C 2.711 179.711 176.870 0.217 0.000 1.073 151 L CA 1.748 56.746 54.840 0.264 0.000 0.753 151 L CB -0.357 41.822 42.059 0.201 0.000 0.890 151 L HN 0.265 nan 8.230 nan 0.000 0.432 152 Q N -0.444 119.446 119.800 0.149 0.000 2.224 152 Q HA -0.112 4.024 4.340 -0.341 0.000 0.203 152 Q C 2.271 178.335 176.000 0.106 0.000 0.970 152 Q CA 1.397 57.266 55.803 0.109 0.000 0.865 152 Q CB -0.347 28.437 28.738 0.076 0.000 0.922 152 Q HN 0.713 nan 8.270 nan 0.000 0.445 153 A N 0.077 122.958 122.820 0.102 0.000 1.930 153 A HA -0.125 3.990 4.320 -0.341 0.000 0.217 153 A C 1.852 179.434 177.584 -0.005 0.000 1.175 153 A CA 0.800 52.863 52.037 0.043 0.000 0.627 153 A CB -0.690 18.318 19.000 0.014 0.000 0.815 153 A HN 0.222 nan 8.150 nan 0.000 0.443 154 F N 0.105 120.086 119.950 0.052 0.000 2.095 154 F HA -0.204 4.117 4.527 -0.342 0.000 0.298 154 F C 2.504 178.309 175.800 0.009 0.000 1.104 154 F CA 1.862 59.874 58.000 0.020 0.000 1.232 154 F CB -0.699 38.293 39.000 -0.014 0.000 0.987 154 F HN 0.036 nan 8.300 nan 0.000 0.475 155 V N -0.556 119.478 119.914 0.199 0.000 2.343 155 V HA -0.266 3.649 4.120 -0.341 0.000 0.247 155 V C 2.315 178.456 176.094 0.079 0.000 1.051 155 V CA 2.052 64.420 62.300 0.113 0.000 1.036 155 V CB -0.510 31.364 31.823 0.085 0.000 0.654 155 V HN 0.183 nan 8.190 nan 0.000 0.451 156 E N 0.673 120.916 120.200 0.071 0.000 2.107 156 E HA -0.057 4.088 4.350 -0.341 0.000 0.191 156 E C 2.262 178.884 176.600 0.036 0.000 0.982 156 E CA 1.217 57.647 56.400 0.051 0.000 0.809 156 E CB -0.814 28.918 29.700 0.054 0.000 0.756 156 E HN 0.509 nan 8.360 nan 0.000 0.459 157 G N 0.278 109.092 108.800 0.025 0.000 2.408 157 G HA2 -0.204 3.552 3.960 -0.341 0.000 0.217 157 G HA3 -0.204 3.552 3.960 -0.341 0.000 0.217 157 G C 1.671 176.567 174.900 -0.007 0.000 1.150 157 G CA 1.001 46.092 45.100 -0.014 0.000 0.776 157 G HN 0.404 nan 8.290 nan 0.000 0.542 158 A N 0.983 123.822 122.820 0.032 0.000 1.877 158 A HA -0.012 4.103 4.320 -0.341 0.000 0.216 158 A C 2.425 180.023 177.584 0.023 0.000 1.186 158 A CA 1.654 53.706 52.037 0.025 0.000 0.620 158 A CB -0.425 18.602 19.000 0.046 0.000 0.822 158 A HN 0.345 nan 8.150 nan 0.000 0.443 159 R N -1.047 119.470 120.500 0.029 0.000 2.083 159 R HA -0.166 3.970 4.340 -0.341 0.000 0.237 159 R C 2.534 178.851 176.300 0.027 0.000 1.137 159 R CA 1.802 57.919 56.100 0.027 0.000 0.951 159 R CB -0.320 29.996 30.300 0.028 0.000 0.851 159 R HN 0.575 nan 8.270 nan 0.000 0.434 160 R N 0.490 121.004 120.500 0.023 0.000 2.081 160 R HA -0.140 3.995 4.340 -0.341 0.000 0.235 160 R C 2.220 178.548 176.300 0.046 0.000 1.131 160 R CA 1.570 57.685 56.100 0.025 0.000 0.960 160 R CB -0.276 30.031 30.300 0.010 0.000 0.856 160 R HN 0.256 nan 8.270 nan 0.000 0.436 161 A N 1.085 123.925 122.820 0.034 0.000 1.865 161 A HA -0.178 3.938 4.320 -0.341 0.000 0.217 161 A C 2.189 179.882 177.584 0.182 0.000 1.191 161 A CA 1.562 53.656 52.037 0.095 0.000 0.623 161 A CB -0.730 18.242 19.000 -0.048 0.000 0.826 161 A HN 0.347 nan 8.150 nan 0.000 0.444 162 L N -1.119 120.159 121.223 0.092 0.000 1.990 162 L HA -0.248 3.887 4.340 -0.341 0.000 0.213 162 L C 2.869 179.767 176.870 0.047 0.000 1.072 162 L CA 1.799 56.679 54.840 0.066 0.000 0.755 162 L CB -0.689 41.391 42.059 0.035 0.000 0.889 162 L HN 0.374 nan 8.230 nan 0.000 0.432 163 R N 0.086 120.610 120.500 0.040 0.000 2.127 163 R HA -0.146 3.990 4.340 -0.341 0.000 0.238 163 R C 2.139 178.449 176.300 0.016 0.000 1.134 163 R CA 1.400 57.514 56.100 0.022 0.000 0.975 163 R CB -0.429 29.883 30.300 0.021 0.000 0.865 163 R HN 0.387 nan 8.270 nan 0.000 0.447 164 A N -0.170 122.680 122.820 0.051 0.000 2.208 164 A HA 0.188 4.303 4.320 -0.341 0.000 0.209 164 A C 1.358 178.879 177.584 -0.104 0.000 1.161 164 A CA 0.892 52.941 52.037 0.020 0.000 0.782 164 A CB 0.063 19.145 19.000 0.137 0.000 0.816 164 A HN 0.462 nan 8.150 nan 0.000 0.477 165 G N -2.040 106.715 108.800 -0.075 0.000 2.131 165 G HA2 -0.220 3.535 3.960 -0.341 0.000 0.223 165 G HA3 -0.220 3.535 3.960 -0.341 0.000 0.223 165 G C -0.070 174.693 174.900 -0.227 0.000 0.990 165 G CA -0.086 44.923 45.100 -0.152 0.000 0.671 165 G HN 0.277 nan 8.290 nan 0.000 0.521 166 F N 0.492 120.401 119.950 -0.069 0.000 2.471 166 F HA 0.485 4.805 4.527 -0.345 0.000 0.353 166 F C 1.705 177.455 175.800 -0.083 0.000 1.113 166 F CA 0.548 58.496 58.000 -0.087 0.000 1.262 166 F CB 1.077 40.016 39.000 -0.101 0.000 1.146 166 F HN 0.097 nan 8.300 nan 0.000 0.578 167 Q N 0.783 120.632 119.800 0.082 0.000 2.245 167 Q HA 0.263 4.399 4.340 -0.341 0.000 0.236 167 Q C -0.938 175.040 176.000 -0.035 0.000 0.842 167 Q CA 0.131 55.938 55.803 0.006 0.000 0.945 167 Q CB 1.352 30.076 28.738 -0.023 0.000 1.122 167 Q HN 0.365 nan 8.270 nan 0.000 0.506 168 V N 1.801 121.674 119.914 -0.068 0.000 2.588 168 V HA 0.368 4.283 4.120 -0.341 0.000 0.304 168 V C -0.769 175.185 176.094 -0.234 0.000 1.042 168 V CA -0.747 61.413 62.300 -0.233 0.000 0.877 168 V CB 2.157 33.709 31.823 -0.452 0.000 0.996 168 V HN 0.119 nan 8.190 nan 0.000 0.425 169 I N 3.571 124.006 120.570 -0.225 0.000 2.378 169 I HA 0.515 4.480 4.170 -0.341 0.000 0.291 169 I C 0.035 176.051 176.117 -0.168 0.000 0.992 169 I CA -0.330 60.870 61.300 -0.166 0.000 1.154 169 I CB 1.691 39.648 38.000 -0.072 0.000 1.315 169 I HN 0.756 nan 8.210 nan 0.000 0.448 170 E N 6.520 126.643 120.200 -0.129 0.000 2.183 170 E HA 0.541 4.686 4.350 -0.341 0.000 0.271 170 E C -1.428 175.200 176.600 0.046 0.000 0.919 170 E CA -0.690 55.711 56.400 0.002 0.000 0.781 170 E CB 1.796 31.523 29.700 0.045 0.000 1.140 170 E HN 0.494 nan 8.360 nan 0.000 0.402 171 L N 4.099 125.363 121.223 0.067 0.000 2.264 171 L HA 0.219 4.354 4.340 -0.341 0.000 0.289 171 L C 0.021 176.963 176.870 0.119 0.000 1.044 171 L CA -0.827 54.059 54.840 0.076 0.000 0.807 171 L CB 0.873 42.896 42.059 -0.059 0.000 1.192 171 L HN 0.537 nan 8.230 nan 0.000 0.425 172 H N 6.009 125.131 119.070 0.086 0.000 3.109 172 H HA 0.225 4.577 4.556 -0.340 0.000 0.266 172 H C -0.090 175.263 175.328 0.043 0.000 1.334 172 H CA -0.199 55.897 56.048 0.079 0.000 1.456 172 H CB 0.587 30.426 29.762 0.128 0.000 1.587 172 H HN 0.526 nan 8.280 nan 0.000 0.500 173 M N 4.036 123.769 119.600 0.223 0.000 2.866 173 M HA 0.401 4.677 4.480 -0.341 0.000 0.319 173 M C 0.070 176.380 176.300 0.017 0.000 1.244 173 M CA -0.268 55.073 55.300 0.068 0.000 0.974 173 M CB 0.432 33.021 32.600 -0.018 0.000 1.291 173 M HN 0.423 nan 8.290 nan 0.000 0.513 174 A N -1.155 121.760 122.820 0.158 0.000 2.483 174 A HA 0.702 4.818 4.320 -0.341 0.000 0.286 174 A C -0.165 177.429 177.584 0.016 0.000 1.207 174 A CA -0.572 51.428 52.037 -0.062 0.000 0.764 174 A CB 0.441 19.222 19.000 -0.366 0.000 1.341 174 A HN 0.746 nan 8.150 nan 0.000 0.428 175 H N -0.967 118.143 119.070 0.067 0.000 2.862 175 H HA -0.175 4.176 4.556 -0.342 0.000 0.290 175 H C 1.234 176.285 175.328 -0.461 0.000 1.211 175 H CA 1.197 57.191 56.048 -0.090 0.000 1.140 175 H CB -1.495 28.300 29.762 0.055 0.000 1.341 175 H HN 2.344 nan 8.280 nan 0.000 0.392 176 G N -1.706 106.968 108.800 -0.210 0.000 2.166 176 G HA2 -0.395 3.360 3.960 -0.341 0.000 0.260 176 G HA3 -0.395 3.360 3.960 -0.341 0.000 0.260 176 G C 0.134 174.823 174.900 -0.350 0.000 0.986 176 G CA 0.783 45.726 45.100 -0.260 0.000 0.683 176 G HN 0.550 nan 8.290 nan 0.000 0.527 177 Y N -1.311 118.935 120.300 -0.090 0.000 2.314 177 Y HA 0.530 4.875 4.550 -0.342 0.000 0.359 177 Y C 1.848 177.752 175.900 0.006 0.000 1.360 177 Y CA -0.559 57.489 58.100 -0.086 0.000 1.697 177 Y CB -0.438 37.904 38.460 -0.197 0.000 1.630 177 Y HN 0.040 nan 8.280 nan 0.000 0.583 178 L N 0.340 121.740 121.223 0.296 0.000 1.978 178 L HA -0.250 3.885 4.340 -0.341 0.000 0.218 178 L C 1.762 178.791 176.870 0.265 0.000 1.075 178 L CA 1.953 56.966 54.840 0.288 0.000 0.767 178 L CB -0.981 41.231 42.059 0.255 0.000 0.890 178 L HN 0.682 nan 8.230 nan 0.000 0.434 179 L N -1.633 119.657 121.223 0.112 0.000 2.179 179 L HA -0.095 4.040 4.340 -0.341 0.000 0.208 179 L C 2.642 179.476 176.870 -0.059 0.000 1.096 179 L CA 1.081 55.896 54.840 -0.042 0.000 0.779 179 L CB -0.593 41.323 42.059 -0.239 0.000 0.922 179 L HN 0.402 nan 8.230 nan 0.000 0.443 180 S N 0.241 115.895 115.700 -0.076 0.000 2.370 180 S HA -0.215 4.050 4.470 -0.341 0.000 0.226 180 S C 2.259 176.779 174.600 -0.133 0.000 1.033 180 S CA 1.941 60.034 58.200 -0.178 0.000 1.011 180 S CB -0.220 62.901 63.200 -0.131 0.000 0.852 180 S HN 0.593 nan 8.310 nan 0.000 0.457 181 S N -0.203 115.494 115.700 -0.005 0.000 2.447 181 S HA 0.006 4.272 4.470 -0.341 0.000 0.233 181 S C 1.580 176.181 174.600 0.001 0.000 1.006 181 S CA 0.855 59.053 58.200 -0.003 0.000 0.957 181 S CB -0.881 62.327 63.200 0.013 0.000 0.773 181 S HN 0.582 nan 8.310 nan 0.000 0.507 182 F N 1.510 121.423 119.950 -0.062 0.000 2.234 182 F HA 0.233 4.555 4.527 -0.341 0.000 0.296 182 F C 2.184 177.928 175.800 -0.093 0.000 1.089 182 F CA 0.706 58.696 58.000 -0.017 0.000 1.343 182 F CB -0.254 38.792 39.000 0.077 0.000 1.040 182 F HN 0.145 nan 8.300 nan 0.000 0.498 183 L N -1.107 120.055 121.223 -0.102 0.000 2.046 183 L HA -0.152 3.983 4.340 -0.341 0.000 0.208 183 L C 1.397 178.194 176.870 -0.121 0.000 1.077 183 L CA 0.676 55.274 54.840 -0.403 0.000 0.747 183 L CB -0.648 40.705 42.059 -1.177 0.000 0.896 183 L HN -0.047 nan 8.230 nan 0.000 0.432 184 S N 0.246 115.881 115.700 -0.108 0.000 2.523 184 S HA 0.177 4.443 4.470 -0.341 0.000 0.275 184 S C -1.512 173.133 174.600 0.075 0.000 1.281 184 S CA -1.506 56.736 58.200 0.069 0.000 1.050 184 S CB 0.980 64.186 63.200 0.010 0.000 0.937 184 S HN -0.022 nan 8.310 nan 0.000 0.492 185 P HA 0.049 nan 4.420 nan 0.000 0.241 185 P C 1.138 178.459 177.300 0.035 0.000 1.191 185 P CA 0.424 63.561 63.100 0.061 0.000 0.771 185 P CB 0.045 31.785 31.700 0.066 0.000 0.929 186 L N -0.081 121.168 121.223 0.043 0.000 2.291 186 L HA -0.044 4.091 4.340 -0.341 0.000 0.214 186 L C 1.999 178.875 176.870 0.011 0.000 1.120 186 L CA 1.743 56.601 54.840 0.030 0.000 0.799 186 L CB -0.610 41.476 42.059 0.045 0.000 0.925 186 L HN 0.147 nan 8.230 nan 0.000 0.446 187 S N -3.127 112.572 115.700 -0.002 0.000 2.604 187 S HA 0.118 4.383 4.470 -0.341 0.000 0.235 187 S C 0.460 175.013 174.600 -0.077 0.000 1.043 187 S CA -0.503 57.682 58.200 -0.026 0.000 0.997 187 S CB 0.133 63.323 63.200 -0.017 0.000 0.956 187 S HN 0.256 nan 8.310 nan 0.000 0.535 188 N N 1.389 120.045 118.700 -0.073 0.000 2.442 188 N HA 0.459 4.994 4.740 -0.341 0.000 0.274 188 N C -0.617 174.856 175.510 -0.062 0.000 1.002 188 N CA -0.150 52.827 53.050 -0.120 0.000 0.910 188 N CB 1.965 40.364 38.487 -0.147 0.000 1.244 188 N HN 0.095 nan 8.380 nan 0.000 0.492 189 Q N 1.482 121.240 119.800 -0.070 0.000 2.093 189 Q HA 0.336 4.472 4.340 -0.341 0.000 0.217 189 Q C -0.549 175.434 176.000 -0.028 0.000 0.785 189 Q CA -0.180 55.602 55.803 -0.035 0.000 1.038 189 Q CB 0.402 29.120 28.738 -0.032 0.000 1.190 189 Q HN 0.517 nan 8.270 nan 0.000 0.468 190 R N -0.372 120.105 120.500 -0.037 0.000 2.640 190 R HA 0.069 4.204 4.340 -0.341 0.000 0.270 190 R C 0.871 177.181 176.300 0.016 0.000 1.024 190 R CA 1.189 57.283 56.100 -0.009 0.000 1.085 190 R CB 0.431 30.737 30.300 0.011 0.000 0.963 190 R HN 0.192 nan 8.270 nan 0.000 0.426 191 T N -3.006 111.559 114.554 0.019 0.000 3.069 191 T HA 0.001 4.146 4.350 -0.341 0.000 0.252 191 T C 0.396 175.112 174.700 0.027 0.000 1.053 191 T CA -0.383 61.727 62.100 0.018 0.000 0.964 191 T CB -0.188 68.687 68.868 0.011 0.000 1.005 191 T HN 0.644 nan 8.240 nan 0.000 0.532 192 D N 1.720 122.150 120.400 0.051 0.000 2.453 192 D HA 0.418 4.853 4.640 -0.341 0.000 0.282 192 D C 1.609 177.924 176.300 0.026 0.000 1.222 192 D CA -0.370 53.666 54.000 0.061 0.000 1.079 192 D CB 0.093 40.964 40.800 0.118 0.000 1.128 192 D HN 0.064 nan 8.370 nan 0.000 0.568 193 A N -1.547 121.250 122.820 -0.037 0.000 2.248 193 A HA -0.090 4.025 4.320 -0.341 0.000 0.210 193 A C 1.081 178.446 177.584 -0.365 0.000 1.174 193 A CA 0.749 52.652 52.037 -0.224 0.000 0.750 193 A CB -0.984 17.806 19.000 -0.350 0.000 0.780 193 A HN 0.516 nan 8.150 nan 0.000 0.478 194 Y N -1.283 119.069 120.300 0.086 0.000 2.467 194 Y HA 0.400 4.745 4.550 -0.341 0.000 0.250 194 Y C 1.380 177.361 175.900 0.136 0.000 1.155 194 Y CA 0.018 58.210 58.100 0.154 0.000 1.249 194 Y CB 0.460 39.061 38.460 0.235 0.000 1.146 194 Y HN 0.309 nan 8.280 nan 0.000 0.524 195 G N -1.970 106.922 108.800 0.152 0.000 2.949 195 G HA2 0.526 4.281 3.960 -0.341 0.000 0.285 195 G HA3 0.526 4.281 3.960 -0.341 0.000 0.285 195 G C 0.336 175.268 174.900 0.053 0.000 1.395 195 G CA -0.220 44.934 45.100 0.091 0.000 0.901 195 G HN 0.316 nan 8.290 nan 0.000 0.519 196 G N -0.277 108.547 108.800 0.039 0.000 3.594 196 G HA2 -0.040 3.715 3.960 -0.341 0.000 0.285 196 G HA3 -0.040 3.715 3.960 -0.341 0.000 0.285 196 G C 1.073 175.993 174.900 0.033 0.000 1.551 196 G CA 1.009 46.125 45.100 0.027 0.000 1.061 196 G HN 2.288 nan 8.290 nan 0.000 0.624 197 S N 1.038 116.755 115.700 0.029 0.000 2.614 197 S HA 0.561 4.826 4.470 -0.341 0.000 0.265 197 S C 1.480 176.113 174.600 0.054 0.000 1.303 197 S CA 0.434 58.651 58.200 0.028 0.000 1.000 197 S CB 1.736 64.945 63.200 0.015 0.000 0.935 197 S HN 1.711 nan 8.310 nan 0.000 0.551 198 L N 0.829 122.079 121.223 0.045 0.000 2.042 198 L HA -0.054 4.081 4.340 -0.341 0.000 0.210 198 L C 2.537 179.467 176.870 0.101 0.000 1.076 198 L CA 2.389 57.274 54.840 0.076 0.000 0.749 198 L CB -1.248 40.816 42.059 0.009 0.000 0.893 198 L HN 0.971 nan 8.230 nan 0.000 0.432 199 E N -0.129 120.109 120.200 0.063 0.000 2.070 199 E HA -0.245 3.901 4.350 -0.341 0.000 0.197 199 E C 1.994 178.633 176.600 0.064 0.000 1.004 199 E CA 1.867 58.303 56.400 0.061 0.000 0.805 199 E CB -0.241 29.476 29.700 0.028 0.000 0.744 199 E HN 0.558 nan 8.360 nan 0.000 0.451 200 N N 0.097 118.824 118.700 0.045 0.000 2.106 200 N HA -0.095 4.440 4.740 -0.341 0.000 0.188 200 N C 1.763 177.353 175.510 0.133 0.000 1.029 200 N CA 1.177 54.245 53.050 0.029 0.000 0.848 200 N CB -0.310 38.179 38.487 0.003 0.000 1.007 200 N HN 0.177 nan 8.380 nan 0.000 0.423 201 R N 0.245 120.841 120.500 0.160 0.000 2.159 201 R HA 0.050 4.185 4.340 -0.341 0.000 0.237 201 R C 1.939 178.352 176.300 0.188 0.000 1.131 201 R CA 0.926 57.154 56.100 0.213 0.000 0.982 201 R CB -0.180 30.232 30.300 0.186 0.000 0.868 201 R HN 0.294 nan 8.270 nan 0.000 0.453 202 M N -0.501 119.194 119.600 0.159 0.000 2.506 202 M HA -0.025 4.251 4.480 -0.341 0.000 0.260 202 M C 2.222 178.619 176.300 0.162 0.000 1.104 202 M CA 0.764 56.137 55.300 0.122 0.000 1.112 202 M CB -0.049 32.687 32.600 0.226 0.000 1.401 202 M HN 0.075 nan 8.290 nan 0.000 0.473 203 R N 0.581 121.196 120.500 0.191 0.000 2.082 203 R HA -0.215 3.920 4.340 -0.341 0.000 0.234 203 R C 2.108 178.580 176.300 0.286 0.000 1.136 203 R CA 2.012 58.234 56.100 0.203 0.000 0.935 203 R CB -0.412 29.944 30.300 0.092 0.000 0.842 203 R HN 0.273 nan 8.270 nan 0.000 0.430 204 F N 1.588 121.664 119.950 0.210 0.000 2.075 204 F HA 0.010 4.333 4.527 -0.341 0.000 0.297 204 F C -1.218 174.477 175.800 -0.174 0.000 1.113 204 F CA 0.709 58.672 58.000 -0.063 0.000 1.218 204 F CB -1.201 37.488 39.000 -0.518 0.000 0.984 204 F HN 0.043 nan 8.300 nan 0.000 0.472 205 P HA -0.198 nan 4.420 nan 0.000 0.216 205 P C 2.197 179.395 177.300 -0.170 0.000 1.153 205 P CA 1.923 64.782 63.100 -0.401 0.000 0.858 205 P CB -0.174 31.381 31.700 -0.242 0.000 0.789 206 L N -1.244 119.995 121.223 0.027 0.000 2.201 206 L HA -0.164 3.971 4.340 -0.341 0.000 0.212 206 L C 2.571 179.421 176.870 -0.032 0.000 1.105 206 L CA 1.333 56.206 54.840 0.056 0.000 0.775 206 L CB -0.712 41.422 42.059 0.126 0.000 0.913 206 L HN 0.029 nan 8.230 nan 0.000 0.440 207 Q N -0.891 118.882 119.800 -0.044 0.000 2.083 207 Q HA -0.149 3.986 4.340 -0.341 0.000 0.198 207 Q C 2.357 178.288 176.000 -0.114 0.000 0.969 207 Q CA 1.264 57.051 55.803 -0.027 0.000 0.838 207 Q CB -0.075 28.709 28.738 0.075 0.000 0.900 207 Q HN 0.331 nan 8.270 nan 0.000 0.436 208 V N 1.209 120.951 119.914 -0.287 0.000 2.261 208 V HA -0.321 3.594 4.120 -0.341 0.000 0.246 208 V C 2.345 178.290 176.094 -0.248 0.000 1.047 208 V CA 1.884 63.970 62.300 -0.358 0.000 1.015 208 V CB -1.155 30.237 31.823 -0.718 0.000 0.642 208 V HN 0.422 nan 8.190 nan 0.000 0.446 209 A N -0.646 122.037 122.820 -0.227 0.000 1.884 209 A HA -0.410 3.706 4.320 -0.341 0.000 0.219 209 A C 2.270 179.798 177.584 -0.095 0.000 1.197 209 A CA 2.766 54.714 52.037 -0.149 0.000 0.637 209 A CB -0.749 18.171 19.000 -0.132 0.000 0.827 209 A HN 0.639 nan 8.150 nan 0.000 0.450 210 Q N -0.984 118.773 119.800 -0.073 0.000 2.084 210 Q HA -0.097 4.038 4.340 -0.341 0.000 0.202 210 Q C 2.196 178.180 176.000 -0.028 0.000 0.978 210 Q CA 1.699 57.477 55.803 -0.041 0.000 0.844 210 Q CB -0.343 28.382 28.738 -0.022 0.000 0.898 210 Q HN 0.639 nan 8.270 nan 0.000 0.426 211 A N -0.349 122.453 122.820 -0.031 0.000 1.898 211 A HA -0.095 4.020 4.320 -0.341 0.000 0.216 211 A C 2.160 179.744 177.584 0.000 0.000 1.181 211 A CA 1.359 53.392 52.037 -0.006 0.000 0.620 211 A CB -0.526 18.477 19.000 0.005 0.000 0.819 211 A HN 0.301 nan 8.150 nan 0.000 0.442 212 V N 0.343 120.248 119.914 -0.016 0.000 2.358 212 V HA -0.193 3.722 4.120 -0.341 0.000 0.246 212 V C 2.636 178.729 176.094 -0.002 0.000 1.047 212 V CA 2.094 64.396 62.300 0.003 0.000 1.035 212 V CB -0.834 30.984 31.823 -0.007 0.000 0.658 212 V HN 0.626 nan 8.190 nan 0.000 0.452 213 R N 1.148 121.638 120.500 -0.017 0.000 2.170 213 R HA -0.187 3.948 4.340 -0.341 0.000 0.242 213 R C 1.925 178.223 176.300 -0.004 0.000 1.145 213 R CA 1.740 57.833 56.100 -0.013 0.000 0.984 213 R CB -0.682 29.604 30.300 -0.023 0.000 0.869 213 R HN 0.632 nan 8.270 nan 0.000 0.455 214 E N -0.544 119.656 120.200 -0.001 0.000 2.208 214 E HA -0.086 4.059 4.350 -0.341 0.000 0.193 214 E C 1.546 178.151 176.600 0.009 0.000 0.988 214 E CA 1.404 57.807 56.400 0.004 0.000 0.828 214 E CB 0.157 29.862 29.700 0.007 0.000 0.763 214 E HN 0.382 nan 8.360 nan 0.000 0.478 215 V N -2.117 117.804 119.914 0.012 0.000 3.660 215 V HA 0.135 4.051 4.120 -0.341 0.000 0.276 215 V C 0.689 176.791 176.094 0.013 0.000 1.317 215 V CA -0.221 62.089 62.300 0.015 0.000 1.097 215 V CB 0.493 32.329 31.823 0.023 0.000 0.863 215 V HN -0.175 nan 8.190 nan 0.000 0.438 216 V N 3.344 123.264 119.914 0.010 0.000 2.334 216 V HA 0.411 4.326 4.120 -0.341 0.000 0.267 216 V C -2.192 173.905 176.094 0.006 0.000 1.040 216 V CA -1.808 60.497 62.300 0.008 0.000 0.866 216 V CB 0.492 32.319 31.823 0.005 0.000 1.019 216 V HN 0.347 nan 8.190 nan 0.000 0.468 217 P HA -0.052 nan 4.420 nan 0.000 0.261 217 P C 1.166 178.469 177.300 0.006 0.000 1.165 217 P CA 0.145 63.248 63.100 0.005 0.000 0.759 217 P CB 0.368 32.070 31.700 0.004 0.000 0.772 218 R N 4.662 125.166 120.500 0.005 0.000 2.165 218 R HA -0.269 3.867 4.340 -0.341 0.000 0.254 218 R C 1.187 177.493 176.300 0.010 0.000 1.153 218 R CA 1.885 57.989 56.100 0.007 0.000 0.971 218 R CB -1.154 29.149 30.300 0.005 0.000 0.878 218 R HN 0.454 nan 8.270 nan 0.000 0.449 219 E N 1.659 121.864 120.200 0.007 0.000 2.267 219 E HA -0.100 4.045 4.350 -0.341 0.000 0.197 219 E C 0.777 177.384 176.600 0.011 0.000 0.998 219 E CA 0.702 57.107 56.400 0.008 0.000 0.830 219 E CB -0.292 29.411 29.700 0.004 0.000 0.751 219 E HN 0.488 nan 8.360 nan 0.000 0.491 220 L N 2.460 123.688 121.223 0.008 0.000 2.282 220 L HA 0.344 4.480 4.340 -0.341 0.000 0.288 220 L C -2.363 174.514 176.870 0.012 0.000 1.033 220 L CA -2.412 52.430 54.840 0.003 0.000 0.807 220 L CB 1.206 43.263 42.059 -0.004 0.000 1.209 220 L HN -0.284 nan 8.230 nan 0.000 0.423 221 P HA 0.018 nan 4.420 nan 0.000 0.267 221 P C -0.745 176.576 177.300 0.035 0.000 1.205 221 P CA -0.238 62.909 63.100 0.079 0.000 0.765 221 P CB 0.599 32.398 31.700 0.165 0.000 0.828 222 L N 5.825 127.111 121.223 0.106 0.000 2.265 222 L HA 0.473 4.609 4.340 -0.341 0.000 0.289 222 L C -1.017 176.030 176.870 0.296 0.000 1.033 222 L CA -0.263 54.641 54.840 0.107 0.000 0.814 222 L CB -0.530 41.558 42.059 0.047 0.000 1.203 222 L HN 0.106 nan 8.230 nan 0.000 0.423 223 F N 4.331 124.260 119.950 -0.034 0.000 2.403 223 F HA 0.648 4.969 4.527 -0.343 0.000 0.326 223 F C 0.190 175.960 175.800 -0.050 0.000 1.081 223 F CA -1.099 56.878 58.000 -0.039 0.000 1.041 223 F CB 1.745 40.727 39.000 -0.029 0.000 1.234 223 F HN 0.078 nan 8.300 nan 0.000 0.503 224 V N 2.269 122.251 119.914 0.112 0.000 2.623 224 V HA 0.411 4.326 4.120 -0.341 0.000 0.304 224 V C -0.306 175.810 176.094 0.037 0.000 1.054 224 V CA -1.074 61.255 62.300 0.050 0.000 0.882 224 V CB 2.002 33.811 31.823 -0.023 0.000 1.002 224 V HN 0.661 nan 8.190 nan 0.000 0.424 225 R N 3.075 123.596 120.500 0.035 0.000 2.349 225 R HA 0.775 4.910 4.340 -0.341 0.000 0.299 225 R C -1.353 174.945 176.300 -0.005 0.000 1.027 225 R CA -0.179 55.911 56.100 -0.016 0.000 0.958 225 R CB 1.661 31.893 30.300 -0.113 0.000 1.047 225 R HN 0.532 nan 8.270 nan 0.000 0.468 226 V N 2.840 122.745 119.914 -0.016 0.000 2.876 226 V HA 0.317 4.232 4.120 -0.341 0.000 0.312 226 V C -0.800 175.246 176.094 -0.080 0.000 1.085 226 V CA -0.582 61.700 62.300 -0.029 0.000 0.945 226 V CB 2.671 34.549 31.823 0.092 0.000 1.017 226 V HN 0.884 nan 8.190 nan 0.000 0.428 227 S N 4.230 119.848 115.700 -0.136 0.000 2.416 227 S HA 0.350 4.616 4.470 -0.341 0.000 0.302 227 S C 1.164 175.692 174.600 -0.120 0.000 1.120 227 S CA 0.252 58.405 58.200 -0.079 0.000 1.067 227 S CB 1.024 64.198 63.200 -0.043 0.000 1.057 227 S HN 1.043 nan 8.310 nan 0.000 0.518 228 A N 3.513 126.242 122.820 -0.153 0.000 2.019 228 A HA 0.038 4.153 4.320 -0.341 0.000 0.219 228 A C 1.383 178.746 177.584 -0.369 0.000 1.164 228 A CA 1.186 53.091 52.037 -0.220 0.000 0.644 228 A CB -0.046 18.713 19.000 -0.401 0.000 0.805 228 A HN 0.610 nan 8.150 nan 0.000 0.449 229 T N -1.456 112.724 114.554 -0.624 0.000 2.909 229 T HA 0.424 4.569 4.350 -0.341 0.000 0.299 229 T C -0.279 174.199 174.700 -0.370 0.000 1.073 229 T CA 0.061 61.841 62.100 -0.534 0.000 0.999 229 T CB 1.592 69.827 68.868 -1.055 0.000 1.098 229 T HN 0.270 nan 8.240 nan 0.000 0.477 230 D N 1.206 121.545 120.400 -0.102 0.000 2.339 230 D HA 0.084 4.519 4.640 -0.341 0.000 0.217 230 D C 0.647 177.072 176.300 0.209 0.000 1.050 230 D CA 0.001 54.037 54.000 0.060 0.000 0.856 230 D CB -0.328 40.539 40.800 0.112 0.000 0.922 230 D HN 0.829 nan 8.370 nan 0.000 0.518 231 W N -0.729 120.625 121.300 0.090 0.000 2.062 231 W HA -0.160 4.295 4.660 -0.342 0.000 0.257 231 W C 0.859 177.418 176.519 0.066 0.000 1.024 231 W CA 0.098 57.497 57.345 0.090 0.000 0.471 231 W CB -1.593 27.934 29.460 0.113 0.000 2.039 231 W HN 0.281 nan 8.180 nan 0.000 1.321 232 G N 0.885 109.813 108.800 0.213 0.000 2.367 232 G HA2 0.494 4.249 3.960 -0.341 0.000 0.314 232 G HA3 0.494 4.249 3.960 -0.341 0.000 0.314 232 G C -0.509 174.445 174.900 0.091 0.000 1.130 232 G CA -0.439 44.745 45.100 0.140 0.000 0.864 232 G HN 0.134 nan 8.290 nan 0.000 0.486 233 E N 0.701 120.946 120.200 0.075 0.000 2.480 233 E HA 0.333 4.478 4.350 -0.341 0.000 0.258 233 E C 1.415 178.034 176.600 0.032 0.000 0.984 233 E CA 0.918 57.347 56.400 0.049 0.000 0.930 233 E CB 0.028 29.752 29.700 0.041 0.000 0.936 233 E HN 1.121 nan 8.360 nan 0.000 0.466 234 G N 2.835 111.644 108.800 0.016 0.000 2.162 234 G HA2 -0.275 3.480 3.960 -0.341 0.000 0.260 234 G HA3 -0.275 3.480 3.960 -0.341 0.000 0.260 234 G C 0.511 175.418 174.900 0.011 0.000 0.976 234 G CA 0.130 45.233 45.100 0.005 0.000 0.655 234 G HN 0.894 nan 8.290 nan 0.000 0.533 235 G N -1.279 107.536 108.800 0.025 0.000 2.508 235 G HA2 0.395 4.150 3.960 -0.341 0.000 0.278 235 G HA3 0.395 4.150 3.960 -0.341 0.000 0.278 235 G C 0.172 175.102 174.900 0.050 0.000 1.389 235 G CA -0.188 44.948 45.100 0.059 0.000 1.050 235 G HN 0.580 nan 8.290 nan 0.000 0.522 236 W N 1.753 123.001 121.300 -0.087 0.000 2.304 236 W HA 0.452 4.907 4.660 -0.341 0.000 0.313 236 W C 0.255 176.670 176.519 -0.173 0.000 1.323 236 W CA -0.339 56.934 57.345 -0.121 0.000 1.223 236 W CB 0.785 30.165 29.460 -0.134 0.000 1.237 236 W HN 0.540 nan 8.180 nan 0.000 0.535 237 S N 4.734 120.030 115.700 -0.673 0.000 2.766 237 S HA 0.312 4.577 4.470 -0.341 0.000 0.307 237 S C 0.517 174.805 174.600 -0.520 0.000 1.121 237 S CA -0.825 57.095 58.200 -0.467 0.000 0.980 237 S CB 1.606 64.602 63.200 -0.340 0.000 1.159 237 S HN 0.519 nan 8.310 nan 0.000 0.546 238 L N 1.026 122.041 121.223 -0.346 0.000 2.042 238 L HA -0.023 4.112 4.340 -0.341 0.000 0.210 238 L C 2.433 179.180 176.870 -0.205 0.000 1.076 238 L CA 1.975 56.674 54.840 -0.236 0.000 0.749 238 L CB -1.350 40.655 42.059 -0.090 0.000 0.893 238 L HN 0.780 nan 8.230 nan 0.000 0.432 239 E N -0.167 119.895 120.200 -0.231 0.000 2.077 239 E HA -0.203 3.942 4.350 -0.341 0.000 0.193 239 E C 1.887 178.311 176.600 -0.292 0.000 0.989 239 E CA 1.320 57.599 56.400 -0.202 0.000 0.800 239 E CB -0.369 29.225 29.700 -0.177 0.000 0.746 239 E HN 0.581 nan 8.360 nan 0.000 0.452 240 D N 0.389 120.450 120.400 -0.565 0.000 2.106 240 D HA -0.134 4.301 4.640 -0.341 0.000 0.191 240 D C 1.945 177.988 176.300 -0.427 0.000 0.997 240 D CA 1.661 55.118 54.000 -0.906 0.000 0.834 240 D CB -0.625 38.831 40.800 -2.239 0.000 0.956 240 D HN 0.144 nan 8.370 nan 0.000 0.448 241 T N 1.634 116.073 114.554 -0.192 0.000 2.699 241 T HA -0.137 4.008 4.350 -0.341 0.000 0.268 241 T C 2.243 177.057 174.700 0.190 0.000 1.036 241 T CA 0.704 62.988 62.100 0.307 0.000 1.147 241 T CB -0.383 68.620 68.868 0.224 0.000 0.862 241 T HN 0.142 nan 8.240 nan 0.000 0.446 242 L N 0.702 121.950 121.223 0.042 0.000 2.012 242 L HA -0.157 3.978 4.340 -0.341 0.000 0.210 242 L C 3.103 180.000 176.870 0.046 0.000 1.073 242 L CA 1.442 56.300 54.840 0.029 0.000 0.748 242 L CB -0.816 41.236 42.059 -0.012 0.000 0.891 242 L HN 0.258 nan 8.230 nan 0.000 0.431 243 A N -0.162 122.679 122.820 0.036 0.000 1.883 243 A HA -0.278 3.837 4.320 -0.341 0.000 0.217 243 A C 2.182 179.870 177.584 0.174 0.000 1.186 243 A CA 1.765 53.842 52.037 0.067 0.000 0.624 243 A CB -0.853 18.161 19.000 0.023 0.000 0.822 243 A HN 0.397 nan 8.150 nan 0.000 0.444 244 F N 0.998 121.014 119.950 0.111 0.000 2.113 244 F HA -0.019 4.303 4.527 -0.342 0.000 0.297 244 F C 2.545 178.391 175.800 0.076 0.000 1.103 244 F CA 0.856 58.948 58.000 0.154 0.000 1.248 244 F CB -0.761 38.433 39.000 0.323 0.000 0.999 244 F HN 0.253 nan 8.300 nan 0.000 0.475 245 A N 0.632 123.464 122.820 0.019 0.000 1.883 245 A HA -0.260 3.856 4.320 -0.341 0.000 0.217 245 A C 2.461 179.972 177.584 -0.122 0.000 1.186 245 A CA 1.967 53.932 52.037 -0.120 0.000 0.624 245 A CB -0.962 18.027 19.000 -0.018 0.000 0.822 245 A HN 0.461 nan 8.150 nan 0.000 0.444 246 R N -0.936 119.537 120.500 -0.046 0.000 2.081 246 R HA -0.144 3.991 4.340 -0.341 0.000 0.235 246 R C 2.339 178.604 176.300 -0.059 0.000 1.131 246 R CA 1.366 57.441 56.100 -0.041 0.000 0.960 246 R CB -0.165 30.129 30.300 -0.010 0.000 0.856 246 R HN 0.376 nan 8.270 nan 0.000 0.436 247 R N 0.563 121.029 120.500 -0.057 0.000 2.075 247 R HA -0.089 4.047 4.340 -0.341 0.000 0.232 247 R C 2.372 178.591 176.300 -0.136 0.000 1.126 247 R CA 1.037 57.099 56.100 -0.063 0.000 0.963 247 R CB -0.812 29.490 30.300 0.003 0.000 0.858 247 R HN 0.327 nan 8.270 nan 0.000 0.435 248 L N 0.976 122.036 121.223 -0.272 0.000 2.012 248 L HA -0.187 3.948 4.340 -0.341 0.000 0.210 248 L C 2.764 179.535 176.870 -0.164 0.000 1.073 248 L CA 1.586 56.255 54.840 -0.286 0.000 0.748 248 L CB -0.573 41.217 42.059 -0.449 0.000 0.891 248 L HN 0.186 nan 8.230 nan 0.000 0.431 249 K N 0.594 120.911 120.400 -0.138 0.000 2.063 249 K HA -0.226 3.890 4.320 -0.341 0.000 0.208 249 K C 1.887 178.448 176.600 -0.066 0.000 1.048 249 K CA 1.737 57.970 56.287 -0.089 0.000 0.928 249 K CB -0.054 32.403 32.500 -0.071 0.000 0.713 249 K HN 0.379 nan 8.250 nan 0.000 0.442 250 E N 0.437 120.600 120.200 -0.062 0.000 2.209 250 E HA -0.184 3.962 4.350 -0.341 0.000 0.196 250 E C 1.754 178.329 176.600 -0.042 0.000 0.993 250 E CA 1.015 57.390 56.400 -0.043 0.000 0.819 250 E CB -0.058 29.621 29.700 -0.034 0.000 0.745 250 E HN 0.405 nan 8.360 nan 0.000 0.477 251 L N -0.482 120.706 121.223 -0.057 0.000 2.591 251 L HA 0.172 4.307 4.340 -0.341 0.000 0.228 251 L C 1.308 178.152 176.870 -0.043 0.000 1.133 251 L CA 0.327 55.138 54.840 -0.049 0.000 0.880 251 L CB 0.085 42.105 42.059 -0.063 0.000 1.033 251 L HN 0.252 nan 8.230 nan 0.000 0.450 252 G N 0.168 108.941 108.800 -0.044 0.000 2.141 252 G HA2 -0.238 3.517 3.960 -0.341 0.000 0.242 252 G HA3 -0.238 3.517 3.960 -0.341 0.000 0.242 252 G C 0.229 175.111 174.900 -0.030 0.000 0.982 252 G CA -0.088 44.993 45.100 -0.031 0.000 0.662 252 G HN 0.081 nan 8.290 nan 0.000 0.527 253 V N 1.283 121.166 119.914 -0.052 0.000 2.655 253 V HA 0.128 4.043 4.120 -0.341 0.000 0.300 253 V C 1.395 177.470 176.094 -0.030 0.000 1.044 253 V CA 0.895 63.168 62.300 -0.045 0.000 1.095 253 V CB 1.173 32.937 31.823 -0.098 0.000 0.952 253 V HN 0.389 nan 8.190 nan 0.000 0.485 254 D N 3.168 123.577 120.400 0.016 0.000 2.271 254 D HA 0.146 4.582 4.640 -0.341 0.000 0.206 254 D C 0.225 176.490 176.300 -0.059 0.000 0.967 254 D CA 0.838 54.848 54.000 0.016 0.000 0.867 254 D CB 0.931 41.790 40.800 0.099 0.000 0.960 254 D HN 0.335 nan 8.370 nan 0.000 0.509 255 L N 0.616 121.769 121.223 -0.117 0.000 2.592 255 L HA 0.288 4.423 4.340 -0.341 0.000 0.258 255 L C -2.110 174.596 176.870 -0.275 0.000 0.926 255 L CA -0.717 53.946 54.840 -0.295 0.000 0.885 255 L CB 2.353 44.003 42.059 -0.681 0.000 1.380 255 L HN -0.246 nan 8.230 nan 0.000 0.415 256 L N 4.016 125.109 121.223 -0.217 0.000 2.272 256 L HA 0.509 4.644 4.340 -0.341 0.000 0.289 256 L C -0.754 176.028 176.870 -0.147 0.000 1.032 256 L CA 0.140 54.893 54.840 -0.145 0.000 0.810 256 L CB 1.094 43.100 42.059 -0.089 0.000 1.205 256 L HN 0.551 nan 8.230 nan 0.000 0.422 257 D N 4.463 124.796 120.400 -0.111 0.000 2.347 257 D HA 0.180 4.615 4.640 -0.341 0.000 0.235 257 D C -1.099 175.192 176.300 -0.015 0.000 1.149 257 D CA -0.193 53.763 54.000 -0.074 0.000 0.850 257 D CB 0.574 41.363 40.800 -0.018 0.000 1.061 257 D HN 0.536 nan 8.370 nan 0.000 0.487 258 C N 3.805 123.110 119.300 0.007 0.000 2.203 258 C HA 0.522 4.777 4.460 -0.341 0.000 0.325 258 C C 0.832 175.881 174.990 0.098 0.000 1.156 258 C CA -0.517 58.537 59.018 0.060 0.000 1.597 258 C CB -0.733 27.063 27.740 0.094 0.000 2.148 258 C HN 0.562 nan 8.230 nan 0.000 0.472 259 S N 1.833 117.592 115.700 0.098 0.000 2.753 259 S HA 0.898 5.164 4.470 -0.341 0.000 0.302 259 S C -0.176 174.545 174.600 0.202 0.000 1.104 259 S CA -0.201 58.110 58.200 0.185 0.000 0.968 259 S CB 1.485 64.834 63.200 0.248 0.000 1.278 259 S HN 0.948 nan 8.310 nan 0.000 0.549 260 S N -0.853 115.056 115.700 0.348 0.000 2.565 260 S HA 0.732 4.997 4.470 -0.341 0.000 0.269 260 S C 0.153 175.046 174.600 0.488 0.000 1.153 260 S CA 0.061 58.457 58.200 0.327 0.000 0.835 260 S CB 0.570 64.078 63.200 0.514 0.000 1.122 260 S HN 2.150 nan 8.310 nan 0.000 0.462 261 G N 1.017 110.056 108.800 0.398 0.000 2.645 261 G HA2 0.274 4.029 3.960 -0.341 0.000 0.246 261 G HA3 0.274 4.029 3.960 -0.341 0.000 0.246 261 G C 1.166 176.256 174.900 0.317 0.000 1.322 261 G CA 1.232 46.616 45.100 0.474 0.000 0.898 261 G HN 2.662 nan 8.290 nan 0.000 0.573 262 G N -3.109 105.833 108.800 0.237 0.000 2.284 262 G HA2 -0.179 3.577 3.960 -0.341 0.000 0.261 262 G HA3 -0.179 3.577 3.960 -0.341 0.000 0.261 262 G C 1.649 176.602 174.900 0.088 0.000 0.997 262 G CA 1.737 46.905 45.100 0.113 0.000 0.621 262 G HN 1.918 nan 8.290 nan 0.000 0.534 263 V N 0.512 120.500 119.914 0.123 0.000 2.255 263 V HA 0.083 3.998 4.120 -0.341 0.000 0.247 263 V C 1.907 178.152 176.094 0.252 0.000 1.051 263 V CA 2.354 64.714 62.300 0.101 0.000 1.018 263 V CB -0.617 31.246 31.823 0.067 0.000 0.641 263 V HN 1.341 nan 8.190 nan 0.000 0.445 264 V N -3.922 116.129 119.914 0.229 0.000 3.155 264 V HA 0.486 4.402 4.120 -0.341 0.000 0.313 264 V C 0.645 176.759 176.094 0.034 0.000 1.162 264 V CA -0.655 61.707 62.300 0.104 0.000 1.048 264 V CB 2.163 33.976 31.823 -0.017 0.000 1.092 264 V HN 0.054 nan 8.190 nan 0.000 0.447 265 L N -0.585 120.492 121.223 -0.243 0.000 2.221 265 L HA 0.278 4.413 4.340 -0.341 0.000 0.202 265 L C 1.751 178.584 176.870 -0.062 0.000 1.074 265 L CA 0.387 55.147 54.840 -0.133 0.000 0.795 265 L CB -0.026 41.874 42.059 -0.266 0.000 0.960 265 L HN 0.656 nan 8.230 nan 0.000 0.458 266 R N 1.370 121.821 120.500 -0.082 0.000 4.624 266 R HA 0.120 4.255 4.340 -0.341 0.000 0.214 266 R C -0.420 175.875 176.300 -0.007 0.000 2.026 266 R CA 0.025 56.096 56.100 -0.047 0.000 1.676 266 R CB -1.123 29.144 30.300 -0.056 0.000 1.291 266 R HN 0.147 nan 8.270 nan 0.000 0.739 267 V N -2.512 117.409 119.914 0.013 0.000 3.074 267 V HA 0.634 4.549 4.120 -0.341 0.000 0.314 267 V C -0.229 175.859 176.094 -0.009 0.000 1.117 267 V CA -1.589 60.738 62.300 0.044 0.000 1.014 267 V CB 2.752 34.656 31.823 0.136 0.000 1.057 267 V HN -0.069 nan 8.190 nan 0.000 0.438 268 R N 1.833 122.324 120.500 -0.016 0.000 2.207 268 R HA 0.692 4.827 4.340 -0.341 0.000 0.334 268 R C -0.743 175.379 176.300 -0.296 0.000 1.013 268 R CA -0.538 55.496 56.100 -0.109 0.000 0.858 268 R CB 0.477 30.741 30.300 -0.059 0.000 1.094 268 R HN 0.825 nan 8.270 nan 0.000 0.457 269 I N 6.093 126.392 120.570 -0.451 0.000 2.362 269 I HA 0.329 4.295 4.170 -0.341 0.000 0.289 269 I C -1.706 173.987 176.117 -0.706 0.000 0.994 269 I CA -2.114 58.649 61.300 -0.894 0.000 1.158 269 I CB 2.078 39.612 38.000 -0.777 0.000 1.315 269 I HN 0.419 nan 8.210 nan 0.000 0.451 270 P HA 0.219 nan 4.420 nan 0.000 0.237 270 P C -0.280 176.741 177.300 -0.466 0.000 1.788 270 P CA -0.251 62.606 63.100 -0.404 0.000 1.061 270 P CB -0.080 31.503 31.700 -0.195 0.000 1.967 271 L N 1.741 122.583 121.223 -0.635 0.000 2.559 271 L HA 0.283 4.418 4.340 -0.341 0.000 0.274 271 L C 0.857 177.492 176.870 -0.392 0.000 1.205 271 L CA 0.500 54.852 54.840 -0.814 0.000 0.907 271 L CB -0.100 41.630 42.059 -0.548 0.000 1.153 271 L HN 0.362 nan 8.230 nan 0.000 0.490 272 A N 5.265 127.938 122.820 -0.245 0.000 2.601 272 A HA 0.661 4.776 4.320 -0.341 0.000 0.291 272 A C -2.804 174.870 177.584 0.149 0.000 1.075 272 A CA -1.302 50.728 52.037 -0.011 0.000 0.671 272 A CB 1.169 20.181 19.000 0.020 0.000 1.277 272 A HN 0.391 nan 8.150 nan 0.000 0.417 273 P HA 0.257 nan 4.420 nan 0.000 0.258 273 P C 0.985 178.374 177.300 0.149 0.000 1.172 273 P CA 2.602 65.777 63.100 0.125 0.000 0.762 273 P CB 0.322 32.067 31.700 0.074 0.000 0.764 274 G N 3.606 112.503 108.800 0.161 0.000 2.179 274 G HA2 -0.329 3.427 3.960 -0.341 0.000 0.257 274 G HA3 -0.329 3.427 3.960 -0.341 0.000 0.257 274 G C 0.596 175.526 174.900 0.049 0.000 1.010 274 G CA 0.369 45.512 45.100 0.072 0.000 0.736 274 G HN 0.610 nan 8.290 nan 0.000 0.513 275 F N -0.803 119.150 119.950 0.005 0.000 2.333 275 F HA 0.105 4.426 4.527 -0.343 0.000 0.300 275 F C 1.967 177.729 175.800 -0.063 0.000 1.083 275 F CA 1.576 59.577 58.000 0.002 0.000 1.395 275 F CB -0.083 38.950 39.000 0.055 0.000 1.056 275 F HN 0.368 nan 8.300 nan 0.000 0.529 276 Q N 0.360 119.707 119.800 -0.755 0.000 2.282 276 Q HA 0.121 4.257 4.340 -0.341 0.000 0.206 276 Q C 2.059 177.823 176.000 -0.395 0.000 0.878 276 Q CA 0.096 55.536 55.803 -0.605 0.000 0.944 276 Q CB 0.591 29.067 28.738 -0.437 0.000 1.100 276 Q HN 0.415 nan 8.270 nan 0.000 0.509 277 V N 2.069 121.806 119.914 -0.295 0.000 2.407 277 V HA -0.167 3.748 4.120 -0.341 0.000 0.248 277 V C -0.812 175.163 176.094 -0.197 0.000 1.055 277 V CA 1.670 63.866 62.300 -0.174 0.000 1.049 277 V CB -1.317 30.445 31.823 -0.100 0.000 0.662 277 V HN 0.271 nan 8.190 nan 0.000 0.455 278 P HA -0.153 nan 4.420 nan 0.000 0.216 278 P C 1.533 178.740 177.300 -0.156 0.000 1.150 278 P CA 1.671 64.606 63.100 -0.275 0.000 0.843 278 P CB -0.157 31.298 31.700 -0.408 0.000 0.787 279 F N 0.635 120.573 119.950 -0.021 0.000 2.113 279 F HA 0.006 4.328 4.527 -0.342 0.000 0.297 279 F C 2.645 178.430 175.800 -0.026 0.000 1.103 279 F CA 0.684 58.667 58.000 -0.028 0.000 1.248 279 F CB -2.066 36.912 39.000 -0.038 0.000 0.999 279 F HN -0.089 nan 8.300 nan 0.000 0.475 280 A N -0.360 122.528 122.820 0.113 0.000 1.972 280 A HA -0.213 3.903 4.320 -0.341 0.000 0.219 280 A C 2.191 179.783 177.584 0.014 0.000 1.169 280 A CA 1.896 53.956 52.037 0.040 0.000 0.635 280 A CB -0.935 18.064 19.000 -0.002 0.000 0.810 280 A HN 0.427 nan 8.150 nan 0.000 0.446 281 D N 0.054 120.454 120.400 0.001 0.000 2.097 281 D HA -0.058 4.377 4.640 -0.341 0.000 0.197 281 D C 2.121 178.426 176.300 0.009 0.000 0.984 281 D CA 1.365 55.360 54.000 -0.007 0.000 0.826 281 D CB -0.076 40.710 40.800 -0.023 0.000 0.973 281 D HN 0.319 nan 8.370 nan 0.000 0.460 282 A N 0.648 123.487 122.820 0.032 0.000 1.898 282 A HA -0.083 4.032 4.320 -0.341 0.000 0.216 282 A C 2.637 180.238 177.584 0.030 0.000 1.181 282 A CA 1.279 53.338 52.037 0.038 0.000 0.620 282 A CB -0.817 18.224 19.000 0.069 0.000 0.819 282 A HN 0.215 nan 8.150 nan 0.000 0.442 283 V N 0.187 120.124 119.914 0.039 0.000 2.295 283 V HA -0.270 3.645 4.120 -0.341 0.000 0.246 283 V C 2.704 178.797 176.094 -0.002 0.000 1.049 283 V CA 2.420 64.732 62.300 0.021 0.000 1.024 283 V CB -0.771 31.067 31.823 0.025 0.000 0.648 283 V HN 0.708 nan 8.190 nan 0.000 0.447 284 R N 0.100 120.596 120.500 -0.007 0.000 2.073 284 R HA -0.133 4.002 4.340 -0.341 0.000 0.229 284 R C 2.292 178.584 176.300 -0.015 0.000 1.120 284 R CA 1.572 57.660 56.100 -0.019 0.000 0.967 284 R CB -0.115 30.171 30.300 -0.024 0.000 0.862 284 R HN 0.427 nan 8.270 nan 0.000 0.436 285 K N -0.439 119.957 120.400 -0.008 0.000 2.243 285 K HA 0.005 4.120 4.320 -0.341 0.000 0.201 285 K C 2.002 178.599 176.600 -0.006 0.000 1.051 285 K CA 0.936 57.218 56.287 -0.007 0.000 0.970 285 K CB 0.273 32.770 32.500 -0.004 0.000 0.755 285 K HN 0.204 nan 8.250 nan 0.000 0.465 286 R N -0.521 119.977 120.500 -0.004 0.000 2.254 286 R HA 0.106 4.242 4.340 -0.341 0.000 0.193 286 R C 1.679 177.974 176.300 -0.008 0.000 0.929 286 R CA 0.251 56.349 56.100 -0.004 0.000 1.038 286 R CB 0.493 30.793 30.300 -0.001 0.000 1.009 286 R HN -0.067 nan 8.270 nan 0.000 0.512 287 V N -0.705 119.203 119.914 -0.010 0.000 3.212 287 V HA 0.245 4.161 4.120 -0.341 0.000 0.244 287 V C 1.320 177.401 176.094 -0.021 0.000 1.151 287 V CA 1.028 63.319 62.300 -0.016 0.000 1.119 287 V CB 0.727 32.539 31.823 -0.018 0.000 0.838 287 V HN 0.570 nan 8.190 nan 0.000 0.470 288 G N 0.918 109.705 108.800 -0.022 0.000 2.143 288 G HA2 -0.230 3.525 3.960 -0.341 0.000 0.249 288 G HA3 -0.230 3.525 3.960 -0.341 0.000 0.249 288 G C -0.121 174.758 174.900 -0.034 0.000 0.981 288 G CA 0.362 45.447 45.100 -0.025 0.000 0.665 288 G HN 0.419 nan 8.290 nan 0.000 0.528 289 L N 1.733 122.930 121.223 -0.042 0.000 2.305 289 L HA 0.676 4.811 4.340 -0.341 0.000 0.281 289 L C 1.044 177.874 176.870 -0.066 0.000 1.085 289 L CA -0.996 53.809 54.840 -0.058 0.000 0.813 289 L CB 0.473 42.489 42.059 -0.071 0.000 1.157 289 L HN 0.259 nan 8.230 nan 0.000 0.436 290 R N 2.360 122.813 120.500 -0.078 0.000 2.756 290 R HA 0.310 4.446 4.340 -0.341 0.000 0.264 290 R C -0.271 175.953 176.300 -0.127 0.000 1.026 290 R CA 0.553 56.597 56.100 -0.094 0.000 1.121 290 R CB 0.020 30.260 30.300 -0.100 0.000 0.999 290 R HN 0.805 nan 8.270 nan 0.000 0.449 291 T N -1.862 112.619 114.554 -0.121 0.000 2.876 291 T HA 0.530 4.675 4.350 -0.341 0.000 0.289 291 T C 0.071 174.679 174.700 -0.153 0.000 1.014 291 T CA -1.011 61.011 62.100 -0.130 0.000 0.986 291 T CB 2.169 70.996 68.868 -0.068 0.000 1.021 291 T HN 0.615 nan 8.240 nan 0.000 0.458 292 G N 0.571 109.263 108.800 -0.179 0.000 2.332 292 G HA2 0.623 4.379 3.960 -0.341 0.000 0.310 292 G HA3 0.623 4.379 3.960 -0.341 0.000 0.310 292 G C -0.262 174.602 174.900 -0.059 0.000 1.123 292 G CA -0.811 44.213 45.100 -0.128 0.000 0.873 292 G HN 1.127 nan 8.290 nan 0.000 0.460 293 A N 1.415 124.213 122.820 -0.037 0.000 2.312 293 A HA 0.810 4.926 4.320 -0.341 0.000 0.326 293 A C -0.573 177.006 177.584 -0.008 0.000 1.172 293 A CA -0.735 51.288 52.037 -0.025 0.000 0.821 293 A CB 1.842 20.824 19.000 -0.030 0.000 1.166 293 A HN 1.550 nan 8.150 nan 0.000 0.493 294 V N 0.866 120.776 119.914 -0.007 0.000 3.048 294 V HA 0.827 4.743 4.120 -0.341 0.000 0.303 294 V C -0.266 175.824 176.094 -0.006 0.000 1.214 294 V CA 0.787 63.099 62.300 0.020 0.000 0.984 294 V CB 2.120 33.980 31.823 0.061 0.000 1.054 294 V HN 2.424 nan 8.190 nan 0.000 0.430 295 G N 4.964 113.792 108.800 0.046 0.000 2.781 295 G HA2 0.172 3.928 3.960 -0.341 0.000 0.468 295 G HA3 0.172 3.928 3.960 -0.341 0.000 0.468 295 G C -0.426 174.592 174.900 0.196 0.000 1.186 295 G CA -0.353 44.819 45.100 0.121 0.000 1.220 295 G HN 1.791 nan 8.290 nan 0.000 0.564 296 L N 0.109 121.448 121.223 0.194 0.000 3.634 296 L HA -0.209 3.927 4.340 -0.341 0.000 0.423 296 L C 0.533 177.455 176.870 0.086 0.000 1.253 296 L CA 0.616 55.544 54.840 0.146 0.000 0.885 296 L CB -0.947 41.233 42.059 0.203 0.000 1.789 296 L HN 0.626 nan 8.230 nan 0.000 0.904 297 I N 0.116 120.711 120.570 0.042 0.000 2.312 297 I HA 0.224 4.190 4.170 -0.341 0.000 0.290 297 I C 1.223 177.304 176.117 -0.061 0.000 1.008 297 I CA 0.535 61.841 61.300 0.010 0.000 1.226 297 I CB 1.334 39.337 38.000 0.005 0.000 1.371 297 I HN 0.266 nan 8.210 nan 0.000 0.468 298 T N -0.839 113.691 114.554 -0.040 0.000 3.130 298 T HA 0.181 4.326 4.350 -0.341 0.000 0.288 298 T C 0.402 175.125 174.700 0.039 0.000 0.936 298 T CA -0.140 61.894 62.100 -0.109 0.000 0.897 298 T CB 0.379 69.229 68.868 -0.030 0.000 1.178 298 T HN 0.411 nan 8.240 nan 0.000 0.543 299 T N 2.958 117.614 114.554 0.170 0.000 2.886 299 T HA 0.506 4.651 4.350 -0.341 0.000 0.292 299 T C -2.319 172.596 174.700 0.358 0.000 1.012 299 T CA -1.390 60.884 62.100 0.289 0.000 0.982 299 T CB 2.366 71.329 68.868 0.159 0.000 1.018 299 T HN -0.282 nan 8.240 nan 0.000 0.451 300 P HA -0.019 nan 4.420 nan 0.000 0.217 300 P C 0.957 178.351 177.300 0.156 0.000 1.150 300 P CA 0.954 64.193 63.100 0.232 0.000 0.832 300 P CB 0.356 32.118 31.700 0.102 0.000 0.787 301 E N -0.629 119.647 120.200 0.126 0.000 2.152 301 E HA -0.179 3.967 4.350 -0.341 0.000 0.192 301 E C 2.150 178.798 176.600 0.079 0.000 0.983 301 E CA 0.806 57.260 56.400 0.089 0.000 0.818 301 E CB -0.665 29.079 29.700 0.074 0.000 0.758 301 E HN 0.354 nan 8.360 nan 0.000 0.467 302 Q N 0.517 120.372 119.800 0.090 0.000 2.016 302 Q HA -0.168 3.967 4.340 -0.341 0.000 0.200 302 Q C 2.126 178.164 176.000 0.063 0.000 0.978 302 Q CA 1.588 57.434 55.803 0.072 0.000 0.833 302 Q CB -0.189 28.595 28.738 0.077 0.000 0.895 302 Q HN 0.282 nan 8.270 nan 0.000 0.427 303 A N 0.918 123.789 122.820 0.085 0.000 1.865 303 A HA -0.269 3.846 4.320 -0.341 0.000 0.217 303 A C 1.929 179.533 177.584 0.034 0.000 1.191 303 A CA 1.930 54.005 52.037 0.063 0.000 0.623 303 A CB -0.915 18.146 19.000 0.102 0.000 0.826 303 A HN 0.564 nan 8.150 nan 0.000 0.444 304 E N -0.400 119.826 120.200 0.045 0.000 2.070 304 E HA -0.157 3.989 4.350 -0.341 0.000 0.197 304 E C 2.038 178.653 176.600 0.025 0.000 1.004 304 E CA 2.212 58.631 56.400 0.031 0.000 0.805 304 E CB -0.675 29.057 29.700 0.053 0.000 0.744 304 E HN 0.525 nan 8.360 nan 0.000 0.451 305 T N 0.735 115.308 114.554 0.032 0.000 2.777 305 T HA -0.128 4.018 4.350 -0.341 0.000 0.266 305 T C 1.774 176.482 174.700 0.014 0.000 1.040 305 T CA 1.458 63.573 62.100 0.025 0.000 1.141 305 T CB -0.369 68.517 68.868 0.029 0.000 0.868 305 T HN 0.358 nan 8.240 nan 0.000 0.444 306 L N -0.090 121.140 121.223 0.012 0.000 2.217 306 L HA 0.187 4.322 4.340 -0.341 0.000 0.211 306 L C 2.086 178.953 176.870 -0.005 0.000 1.107 306 L CA 1.430 56.271 54.840 0.001 0.000 0.783 306 L CB -1.031 41.027 42.059 -0.003 0.000 0.919 306 L HN 0.145 nan 8.230 nan 0.000 0.442 307 L N -0.683 120.537 121.223 -0.006 0.000 2.027 307 L HA -0.122 4.014 4.340 -0.341 0.000 0.206 307 L C 2.941 179.808 176.870 -0.005 0.000 1.074 307 L CA 0.961 55.795 54.840 -0.011 0.000 0.745 307 L CB -0.788 41.261 42.059 -0.018 0.000 0.898 307 L HN 0.358 nan 8.230 nan 0.000 0.433 308 Q N 0.049 119.850 119.800 0.002 0.000 2.112 308 Q HA -0.207 3.929 4.340 -0.341 0.000 0.206 308 Q C 2.248 178.250 176.000 0.003 0.000 0.987 308 Q CA 1.866 57.673 55.803 0.006 0.000 0.858 308 Q CB -0.400 28.346 28.738 0.012 0.000 0.905 308 Q HN 0.545 nan 8.270 nan 0.000 0.420 309 A N -0.320 122.501 122.820 0.001 0.000 2.235 309 A HA 0.239 4.355 4.320 -0.341 0.000 0.208 309 A C 1.440 179.021 177.584 -0.005 0.000 1.172 309 A CA 0.994 53.031 52.037 -0.001 0.000 0.786 309 A CB -0.401 18.598 19.000 -0.002 0.000 0.804 309 A HN 0.451 nan 8.150 nan 0.000 0.479 310 G N -0.920 107.875 108.800 -0.008 0.000 2.198 310 G HA2 -0.262 3.493 3.960 -0.341 0.000 0.260 310 G HA3 -0.262 3.493 3.960 -0.341 0.000 0.260 310 G C 0.784 175.675 174.900 -0.015 0.000 1.025 310 G CA 0.677 45.770 45.100 -0.011 0.000 0.769 310 G HN 0.550 nan 8.290 nan 0.000 0.507 311 S N -0.704 114.986 115.700 -0.017 0.000 2.527 311 S HA 0.592 4.857 4.470 -0.341 0.000 0.222 311 S C 1.085 175.670 174.600 -0.026 0.000 0.985 311 S CA 1.397 59.585 58.200 -0.021 0.000 0.921 311 S CB 0.256 63.441 63.200 -0.025 0.000 0.772 311 S HN 1.922 nan 8.310 nan 0.000 0.529 312 A N 0.368 123.170 122.820 -0.029 0.000 2.566 312 A HA 0.578 4.693 4.320 -0.341 0.000 0.290 312 A C -1.083 176.475 177.584 -0.043 0.000 1.071 312 A CA -0.639 51.374 52.037 -0.040 0.000 0.658 312 A CB 0.172 19.148 19.000 -0.042 0.000 1.285 312 A HN 0.060 nan 8.150 nan 0.000 0.427 313 D N -0.922 119.443 120.400 -0.058 0.000 2.379 313 D HA 0.321 4.756 4.640 -0.341 0.000 0.218 313 D C -0.033 176.237 176.300 -0.051 0.000 1.006 313 D CA 0.585 54.552 54.000 -0.054 0.000 0.893 313 D CB 0.477 41.237 40.800 -0.067 0.000 1.019 313 D HN 0.266 nan 8.370 nan 0.000 0.503 314 L N 0.577 121.763 121.223 -0.062 0.000 2.381 314 L HA 0.505 4.640 4.340 -0.341 0.000 0.268 314 L C -1.481 175.371 176.870 -0.030 0.000 0.997 314 L CA -0.999 53.816 54.840 -0.042 0.000 0.818 314 L CB 2.229 44.257 42.059 -0.052 0.000 1.310 314 L HN -0.281 nan 8.230 nan 0.000 0.416 315 V N 5.595 125.500 119.914 -0.014 0.000 2.357 315 V HA 0.451 4.366 4.120 -0.341 0.000 0.284 315 V C -0.415 175.693 176.094 0.023 0.000 1.018 315 V CA -0.470 61.829 62.300 -0.002 0.000 0.841 315 V CB 1.425 33.246 31.823 -0.004 0.000 0.991 315 V HN 0.530 nan 8.190 nan 0.000 0.437 316 L N 6.509 127.750 121.223 0.030 0.000 2.282 316 L HA 0.551 4.686 4.340 -0.341 0.000 0.288 316 L C -0.337 176.558 176.870 0.043 0.000 1.033 316 L CA 0.092 54.964 54.840 0.054 0.000 0.807 316 L CB 1.248 43.350 42.059 0.072 0.000 1.209 316 L HN 0.422 nan 8.230 nan 0.000 0.423 317 L N 2.531 123.780 121.223 0.043 0.000 2.307 317 L HA 0.662 4.797 4.340 -0.341 0.000 0.284 317 L C 0.778 177.677 176.870 0.048 0.000 1.023 317 L CA -0.261 54.582 54.840 0.006 0.000 0.810 317 L CB 1.610 43.635 42.059 -0.057 0.000 1.231 317 L HN 0.766 nan 8.230 nan 0.000 0.423 318 G N 1.444 110.274 108.800 0.050 0.000 2.495 318 G HA2 0.089 3.844 3.960 -0.341 0.000 0.219 318 G HA3 0.089 3.844 3.960 -0.341 0.000 0.219 318 G C 1.222 176.165 174.900 0.072 0.000 1.875 318 G CA -0.166 44.987 45.100 0.089 0.000 0.757 318 G HN 0.541 nan 8.290 nan 0.000 0.682 319 R N -0.218 120.321 120.500 0.065 0.000 2.105 319 R HA -0.035 4.101 4.340 -0.341 0.000 0.239 319 R C 2.477 178.791 176.300 0.024 0.000 1.135 319 R CA 1.226 57.361 56.100 0.059 0.000 0.967 319 R CB -0.611 29.724 30.300 0.059 0.000 0.861 319 R HN 0.225 nan 8.270 nan 0.000 0.442 320 V N 1.116 121.008 119.914 -0.037 0.000 2.490 320 V HA -0.151 3.765 4.120 -0.341 0.000 0.250 320 V C 1.724 177.791 176.094 -0.045 0.000 1.061 320 V CA 1.558 63.802 62.300 -0.093 0.000 1.064 320 V CB -0.130 31.520 31.823 -0.289 0.000 0.670 320 V HN 0.316 nan 8.190 nan 0.000 0.461 321 L N -0.850 120.365 121.223 -0.014 0.000 2.478 321 L HA -0.014 4.121 4.340 -0.341 0.000 0.223 321 L C 2.135 179.054 176.870 0.081 0.000 1.140 321 L CA 0.647 55.523 54.840 0.060 0.000 0.842 321 L CB -0.298 41.806 42.059 0.075 0.000 0.953 321 L HN 0.345 nan 8.230 nan 0.000 0.452 322 L N -0.049 121.226 121.223 0.087 0.000 2.095 322 L HA -0.112 4.023 4.340 -0.341 0.000 0.204 322 L C 2.641 179.557 176.870 0.078 0.000 1.080 322 L CA 1.147 56.054 54.840 0.113 0.000 0.759 322 L CB -0.323 41.810 42.059 0.124 0.000 0.914 322 L HN 0.374 nan 8.230 nan 0.000 0.439 323 R N -1.323 119.211 120.500 0.056 0.000 2.290 323 R HA 0.088 4.223 4.340 -0.341 0.000 0.197 323 R C -0.077 176.248 176.300 0.041 0.000 0.913 323 R CA 0.307 56.431 56.100 0.040 0.000 1.040 323 R CB 0.075 30.395 30.300 0.033 0.000 0.992 323 R HN 0.008 nan 8.270 nan 0.000 0.500 324 D N 1.012 121.453 120.400 0.067 0.000 2.621 324 D HA 0.196 4.631 4.640 -0.341 0.000 0.274 324 D C -1.988 174.418 176.300 0.177 0.000 1.215 324 D CA -2.335 51.733 54.000 0.113 0.000 0.810 324 D CB 1.571 42.476 40.800 0.176 0.000 1.248 324 D HN -0.103 nan 8.370 nan 0.000 0.517 325 P HA -0.084 nan 4.420 nan 0.000 0.223 325 P C 0.591 178.165 177.300 0.457 0.000 1.151 325 P CA 0.596 63.822 63.100 0.211 0.000 0.787 325 P CB 0.171 31.938 31.700 0.112 0.000 0.788 326 Y N -2.190 118.212 120.300 0.169 0.000 2.571 326 Y HA 0.218 4.780 4.550 0.020 0.000 0.275 326 Y C 1.828 177.865 175.900 0.229 0.000 1.179 326 Y CA -2.038 56.180 58.100 0.197 0.000 1.242 326 Y CB -1.524 37.055 38.460 0.199 0.000 1.126 326 Y HN -0.158 nan 8.280 nan 0.000 0.524 327 F N 2.590 122.692 119.950 0.253 0.000 2.063 327 F HA -0.257 4.053 4.527 -0.361 0.000 0.296 327 F C -0.927 175.004 175.800 0.219 0.000 1.093 327 F CA 2.016 60.134 58.000 0.197 0.000 1.229 327 F CB -1.197 37.895 39.000 0.153 0.000 0.971 327 F HN 0.026 nan 8.300 nan 0.000 0.491 328 P HA -0.122 nan 4.420 nan 0.000 0.221 328 P C 1.895 179.250 177.300 0.091 0.000 1.150 328 P CA 1.508 64.725 63.100 0.195 0.000 0.800 328 P CB -0.133 31.750 31.700 0.306 0.000 0.787 329 L N -1.089 120.172 121.223 0.064 0.000 2.109 329 L HA -0.044 4.091 4.340 -0.341 0.000 0.207 329 L C 2.751 179.658 176.870 0.061 0.000 1.086 329 L CA 1.148 55.989 54.840 0.002 0.000 0.760 329 L CB -0.662 41.412 42.059 0.026 0.000 0.910 329 L HN -0.087 nan 8.230 nan 0.000 0.437 330 R N 0.856 121.401 120.500 0.076 0.000 2.070 330 R HA -0.180 3.955 4.340 -0.341 0.000 0.233 330 R C 2.432 178.646 176.300 -0.143 0.000 1.137 330 R CA 1.605 57.694 56.100 -0.018 0.000 0.945 330 R CB -0.312 29.955 30.300 -0.055 0.000 0.845 330 R HN 0.291 nan 8.270 nan 0.000 0.430 331 A N 0.881 123.515 122.820 -0.310 0.000 1.903 331 A HA -0.242 3.874 4.320 -0.341 0.000 0.219 331 A C 2.423 180.004 177.584 -0.006 0.000 1.191 331 A CA 2.198 54.120 52.037 -0.192 0.000 0.638 331 A CB -1.164 17.716 19.000 -0.199 0.000 0.823 331 A HN 0.609 nan 8.150 nan 0.000 0.451 332 A N -0.584 122.063 122.820 -0.289 0.000 1.865 332 A HA -0.237 3.878 4.320 -0.341 0.000 0.217 332 A C 2.142 179.558 177.584 -0.281 0.000 1.191 332 A CA 2.327 53.929 52.037 -0.724 0.000 0.623 332 A CB -0.598 17.779 19.000 -1.038 0.000 0.826 332 A HN 0.563 nan 8.150 nan 0.000 0.444 333 K N -0.549 119.749 120.400 -0.171 0.000 2.020 333 K HA -0.150 3.965 4.320 -0.341 0.000 0.212 333 K C 2.105 178.679 176.600 -0.043 0.000 1.050 333 K CA 1.452 57.695 56.287 -0.073 0.000 0.929 333 K CB -0.392 32.106 32.500 -0.004 0.000 0.714 333 K HN 0.408 nan 8.250 nan 0.000 0.443 334 A N 0.417 123.217 122.820 -0.033 0.000 2.084 334 A HA -0.128 3.987 4.320 -0.341 0.000 0.221 334 A C 1.644 179.241 177.584 0.020 0.000 1.161 334 A CA 1.359 53.394 52.037 -0.003 0.000 0.653 334 A CB -0.406 18.593 19.000 -0.002 0.000 0.802 334 A HN 0.344 nan 8.150 nan 0.000 0.457 335 L N -1.773 119.465 121.223 0.025 0.000 2.769 335 L HA 0.333 4.468 4.340 -0.341 0.000 0.240 335 L C 1.423 178.309 176.870 0.027 0.000 1.163 335 L CA 0.354 55.228 54.840 0.058 0.000 0.962 335 L CB 0.068 42.216 42.059 0.148 0.000 1.258 335 L HN 0.493 nan 8.230 nan 0.000 0.513 336 G N 0.379 109.175 108.800 -0.007 0.000 2.143 336 G HA2 -0.239 3.516 3.960 -0.341 0.000 0.249 336 G HA3 -0.239 3.516 3.960 -0.341 0.000 0.249 336 G C 0.086 174.960 174.900 -0.042 0.000 0.981 336 G CA 0.061 45.152 45.100 -0.016 0.000 0.665 336 G HN 0.131 nan 8.290 nan 0.000 0.528 337 V N 1.078 120.937 119.914 -0.091 0.000 2.394 337 V HA 0.741 4.656 4.120 -0.341 0.000 0.282 337 V C 0.945 176.923 176.094 -0.194 0.000 1.031 337 V CA -0.447 61.762 62.300 -0.152 0.000 0.881 337 V CB 1.478 33.157 31.823 -0.239 0.000 0.982 337 V HN 1.142 nan 8.190 nan 0.000 0.451 338 A N 8.335 131.068 122.820 -0.146 0.000 2.522 338 A HA 0.448 4.564 4.320 -0.341 0.000 0.256 338 A C -1.717 175.739 177.584 -0.213 0.000 1.086 338 A CA -0.693 51.260 52.037 -0.140 0.000 0.763 338 A CB -0.455 18.487 19.000 -0.097 0.000 1.024 338 A HN 0.677 nan 8.150 nan 0.000 0.502 339 P HA 0.104 nan 4.420 nan 0.000 0.275 339 P C -0.407 176.711 177.300 -0.304 0.000 1.228 339 P CA -0.309 62.599 63.100 -0.321 0.000 0.786 339 P CB 0.674 32.180 31.700 -0.323 0.000 0.927 340 E N 1.916 121.945 120.200 -0.284 0.000 1.865 340 E HA 0.266 4.411 4.350 -0.341 0.000 0.269 340 E C -0.967 175.459 176.600 -0.291 0.000 1.177 340 E CA -0.411 55.853 56.400 -0.227 0.000 0.932 340 E CB 0.066 29.675 29.700 -0.153 0.000 1.066 340 E HN 0.140 nan 8.360 nan 0.000 0.405 341 V N 5.977 125.696 119.914 -0.325 0.000 2.555 341 V HA 0.354 4.269 4.120 -0.341 0.000 0.302 341 V C -2.093 173.844 176.094 -0.261 0.000 1.038 341 V CA -2.081 59.971 62.300 -0.414 0.000 0.887 341 V CB 1.594 33.033 31.823 -0.640 0.000 0.991 341 V HN 0.689 nan 8.190 nan 0.000 0.434 342 P HA 0.175 nan 4.420 nan 0.000 0.269 342 P C -2.108 175.078 177.300 -0.190 0.000 1.209 342 P CA -1.134 61.806 63.100 -0.267 0.000 0.776 342 P CB 0.119 31.546 31.700 -0.455 0.000 0.876 343 P HA -0.201 nan 4.420 nan 0.000 0.216 343 P C 1.331 178.609 177.300 -0.036 0.000 1.153 343 P CA 1.597 64.651 63.100 -0.077 0.000 0.858 343 P CB -0.068 31.587 31.700 -0.074 0.000 0.789 344 Q N -1.916 117.828 119.800 -0.094 0.000 2.248 344 Q HA -0.182 3.953 4.340 -0.341 0.000 0.208 344 Q C 1.249 177.383 176.000 0.224 0.000 0.984 344 Q CA 1.401 57.193 55.803 -0.020 0.000 0.875 344 Q CB -0.654 27.975 28.738 -0.182 0.000 0.910 344 Q HN 0.400 nan 8.270 nan 0.000 0.433 345 Y N -1.061 119.282 120.300 0.073 0.000 2.507 345 Y HA 0.195 4.528 4.550 -0.361 0.000 0.254 345 Y C 1.672 177.703 175.900 0.218 0.000 1.171 345 Y CA -0.362 57.838 58.100 0.167 0.000 1.238 345 Y CB -0.026 38.587 38.460 0.256 0.000 1.148 345 Y HN 0.079 nan 8.280 nan 0.000 0.525 346 Q N 1.205 121.157 119.800 0.253 0.000 2.061 346 Q HA -0.151 3.984 4.340 -0.341 0.000 0.204 346 Q C 1.892 178.013 176.000 0.201 0.000 0.984 346 Q CA 1.815 57.724 55.803 0.177 0.000 0.846 346 Q CB -0.035 28.749 28.738 0.076 0.000 0.902 346 Q HN 0.303 nan 8.270 nan 0.000 0.421 347 R N -1.230 119.364 120.500 0.157 0.000 2.328 347 R HA 0.008 4.143 4.340 -0.341 0.000 0.207 347 R C 1.647 178.005 176.300 0.097 0.000 1.056 347 R CA 0.806 56.971 56.100 0.108 0.000 1.016 347 R CB -0.151 30.193 30.300 0.073 0.000 0.872 347 R HN 0.298 nan 8.270 nan 0.000 0.471 348 G N -0.801 108.090 108.800 0.151 0.000 3.042 348 G HA2 0.078 3.834 3.960 -0.341 0.000 0.212 348 G HA3 0.078 3.834 3.960 -0.341 0.000 0.212 348 G C -0.009 174.780 174.900 -0.186 0.000 1.166 348 G CA -0.022 45.069 45.100 -0.016 0.000 0.767 348 G HN 0.022 nan 8.290 nan 0.000 0.546 349 F N 0.000 119.959 119.950 0.014 0.000 2.286 349 F HA 0.000 4.307 4.527 -0.367 0.000 0.279 349 F CA 0.000 58.001 58.000 0.002 0.000 1.383 349 F CB 0.000 39.002 39.000 0.004 0.000 1.145 349 F HN 0.000 nan 8.300 nan 0.000 0.574