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 1wf4_1_c DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPEK 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.546 177.584 -0.064 0.000 1.274 3 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 3 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 4 K N 0.202 120.571 120.400 -0.051 0.000 2.132 4 K HA 0.710 5.030 4.320 -0.000 0.000 0.241 4 K C -0.816 175.754 176.600 -0.049 0.000 1.000 4 K CA -0.332 55.917 56.287 -0.063 0.000 0.911 4 K CB 1.981 34.451 32.500 -0.050 0.000 1.093 4 K HN 0.587 nan 8.250 nan 0.000 0.460 5 I N 0.913 121.450 120.570 -0.055 0.000 2.569 5 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 5 I C -1.609 174.484 176.117 -0.040 0.000 1.088 5 I CA -0.869 60.413 61.300 -0.031 0.000 1.047 5 I CB 1.190 39.171 38.000 -0.032 0.000 1.237 5 I HN 0.376 nan 8.210 nan 0.000 0.421 6 L N 8.064 129.284 121.223 -0.005 0.000 2.277 6 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 6 L C -0.664 176.185 176.870 -0.035 0.000 1.028 6 L CA -0.803 53.995 54.840 -0.070 0.000 0.835 6 L CB 1.473 43.544 42.059 0.021 0.000 1.215 6 L HN 0.345 nan 8.230 nan 0.000 0.425 7 V N 3.664 123.478 119.914 -0.167 0.000 2.427 7 V HA 0.487 4.607 4.120 -0.000 0.000 0.286 7 V C -0.139 175.845 176.094 -0.183 0.000 1.034 7 V CA -0.279 61.998 62.300 -0.039 0.000 0.893 7 V CB 1.556 33.366 31.823 -0.023 0.000 0.982 7 V HN 0.379 nan 8.190 nan 0.000 0.452 8 F N 0.614 120.566 119.950 0.003 0.000 2.671 8 F HA 0.529 5.056 4.527 -0.000 0.000 0.373 8 F C 1.015 176.818 175.800 0.004 0.000 1.122 8 F CA -0.665 57.337 58.000 0.003 0.000 1.082 8 F CB 0.245 39.246 39.000 0.002 0.000 1.399 8 F HN 0.532 nan 8.300 nan 0.000 0.509 9 D N 0.366 120.919 120.400 0.255 0.000 3.386 9 D HA -0.258 4.382 4.640 -0.000 0.000 0.179 9 D C 1.500 177.849 176.300 0.082 0.000 1.267 9 D CA 1.573 55.652 54.000 0.132 0.000 0.931 9 D CB -0.039 40.825 40.800 0.106 0.000 0.533 9 D HN 0.598 nan 8.370 nan 0.000 0.543 10 E N -0.175 120.061 120.200 0.060 0.000 2.171 10 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 10 E C 1.940 178.564 176.600 0.041 0.000 0.997 10 E CA 1.454 57.879 56.400 0.042 0.000 0.810 10 E CB -0.460 29.259 29.700 0.033 0.000 0.738 10 E HN 0.464 nan 8.360 nan 0.000 0.467 11 A N 1.629 124.481 122.820 0.054 0.000 1.892 11 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 11 A C 2.463 180.069 177.584 0.038 0.000 1.188 11 A CA 2.496 54.562 52.037 0.049 0.000 0.631 11 A CB -0.722 18.319 19.000 0.068 0.000 0.822 11 A HN 0.310 nan 8.150 nan 0.000 0.447 12 A N -0.219 122.624 122.820 0.039 0.000 1.845 12 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 12 A C 2.223 179.813 177.584 0.010 0.000 1.195 12 A CA 1.591 53.635 52.037 0.012 0.000 0.616 12 A CB -0.600 18.393 19.000 -0.012 0.000 0.832 12 A HN 0.559 nan 8.150 nan 0.000 0.443 13 R N -1.050 119.459 120.500 0.015 0.000 2.103 13 R HA -0.159 4.181 4.340 -0.000 0.000 0.242 13 R C 2.352 178.659 176.300 0.012 0.000 1.142 13 R CA 1.493 57.600 56.100 0.012 0.000 0.960 13 R CB -0.416 29.893 30.300 0.016 0.000 0.858 13 R HN 0.303 nan 8.270 nan 0.000 0.439 14 R N 0.685 121.194 120.500 0.016 0.000 2.083 14 R HA -0.062 4.278 4.340 -0.000 0.000 0.237 14 R C 2.294 178.601 176.300 0.011 0.000 1.137 14 R CA 1.700 57.808 56.100 0.014 0.000 0.951 14 R CB -1.175 29.134 30.300 0.016 0.000 0.851 14 R HN 0.304 nan 8.270 nan 0.000 0.434 15 A N 1.361 124.189 122.820 0.013 0.000 1.873 15 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 15 A C 2.467 180.056 177.584 0.008 0.000 1.193 15 A CA 1.514 53.558 52.037 0.012 0.000 0.629 15 A CB -0.790 18.218 19.000 0.015 0.000 0.826 15 A HN 0.222 nan 8.150 nan 0.000 0.447 16 L N -0.933 120.293 121.223 0.006 0.000 1.990 16 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 16 L C 2.745 179.617 176.870 0.003 0.000 1.072 16 L CA 2.141 56.983 54.840 0.003 0.000 0.755 16 L CB -0.684 41.376 42.059 0.001 0.000 0.889 16 L HN 0.660 nan 8.230 nan 0.000 0.432 17 E N 0.274 120.477 120.200 0.005 0.000 2.130 17 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 17 E C 2.319 178.921 176.600 0.004 0.000 0.998 17 E CA 1.245 57.648 56.400 0.005 0.000 0.806 17 E CB 0.064 29.767 29.700 0.006 0.000 0.738 17 E HN 0.326 nan 8.360 nan 0.000 0.459 18 R N -0.473 120.029 120.500 0.004 0.000 2.073 18 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 18 R C 2.522 178.821 176.300 -0.001 0.000 1.134 18 R CA 1.330 57.431 56.100 0.002 0.000 0.952 18 R CB -0.562 29.739 30.300 0.003 0.000 0.850 18 R HN 0.306 nan 8.270 nan 0.000 0.433 19 G N 0.269 109.068 108.800 -0.001 0.000 2.421 19 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 19 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 19 G C 1.468 176.366 174.900 -0.003 0.000 1.171 19 G CA 0.934 46.032 45.100 -0.004 0.000 0.775 19 G HN 0.145 nan 8.290 nan 0.000 0.543 20 V N 1.815 121.728 119.914 -0.001 0.000 2.250 20 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 20 V C 2.694 178.788 176.094 -0.000 0.000 1.060 20 V CA 2.119 64.419 62.300 0.000 0.000 1.030 20 V CB -0.527 31.297 31.823 0.002 0.000 0.643 20 V HN 0.377 nan 8.190 nan 0.000 0.445 21 N N 0.189 118.889 118.700 0.000 0.000 2.166 21 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 21 N C 1.955 177.464 175.510 -0.001 0.000 1.019 21 N CA 1.599 54.649 53.050 0.000 0.000 0.856 21 N CB -0.455 38.032 38.487 0.001 0.000 0.993 21 N HN 0.513 nan 8.380 nan 0.000 0.426 22 A N 1.236 124.054 122.820 -0.003 0.000 1.873 22 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 22 A C 2.587 180.168 177.584 -0.006 0.000 1.193 22 A CA 1.855 53.889 52.037 -0.006 0.000 0.629 22 A CB -0.975 18.020 19.000 -0.009 0.000 0.826 22 A HN 0.109 nan 8.150 nan 0.000 0.447 23 V N -0.304 119.607 119.914 -0.006 0.000 2.244 23 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 23 V C 3.092 179.184 176.094 -0.003 0.000 1.042 23 V CA 2.005 64.302 62.300 -0.006 0.000 1.006 23 V CB -1.455 30.365 31.823 -0.005 0.000 0.641 23 V HN 0.658 nan 8.190 nan 0.000 0.446 24 A N 0.746 123.566 122.820 -0.002 0.000 1.927 24 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 24 A C 1.984 179.568 177.584 0.000 0.000 1.185 24 A CA 2.439 54.476 52.037 0.000 0.000 0.639 24 A CB -0.772 18.229 19.000 0.002 0.000 0.820 24 A HN 0.644 nan 8.150 nan 0.000 0.451 25 N N -0.118 118.581 118.700 -0.000 0.000 2.409 25 N HA 0.027 4.767 4.740 -0.000 0.000 0.179 25 N C 1.712 177.221 175.510 -0.001 0.000 1.032 25 N CA 1.215 54.265 53.050 0.000 0.000 0.898 25 N CB -0.421 38.066 38.487 -0.000 0.000 0.971 25 N HN 0.520 nan 8.380 nan 0.000 0.441 26 A N 0.512 123.330 122.820 -0.003 0.000 1.930 26 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 26 A C 2.414 179.995 177.584 -0.005 0.000 1.176 26 A CA 0.745 52.779 52.037 -0.005 0.000 0.632 26 A CB -0.396 18.599 19.000 -0.008 0.000 0.819 26 A HN 0.060 nan 8.150 nan 0.000 0.445 27 V N 1.448 121.360 119.914 -0.004 0.000 2.255 27 V HA -0.274 3.846 4.120 -0.000 0.000 0.243 27 V C 2.486 178.580 176.094 0.000 0.000 1.038 27 V CA 2.263 64.561 62.300 -0.003 0.000 1.008 27 V CB -0.858 30.964 31.823 -0.001 0.000 0.645 27 V HN 0.835 nan 8.190 nan 0.000 0.449 28 K N 0.717 121.118 120.400 0.002 0.000 2.366 28 K HA -0.179 4.141 4.320 -0.000 0.000 0.202 28 K C 1.696 178.299 176.600 0.006 0.000 1.045 28 K CA 1.777 58.066 56.287 0.005 0.000 0.934 28 K CB -0.884 31.619 32.500 0.006 0.000 0.746 28 K HN 0.337 nan 8.250 nan 0.000 0.470 29 V N 2.200 122.116 119.914 0.004 0.000 2.828 29 V HA -0.235 3.885 4.120 -0.000 0.000 0.260 29 V C 2.541 178.638 176.094 0.004 0.000 1.101 29 V CA 2.132 64.435 62.300 0.004 0.000 1.123 29 V CB -0.922 30.901 31.823 0.001 0.000 0.704 29 V HN 0.787 nan 8.190 nan 0.000 0.493 30 T N -2.898 111.658 114.554 0.002 0.000 3.039 30 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 30 T C 0.781 175.482 174.700 0.002 0.000 1.052 30 T CA -0.226 61.875 62.100 0.001 0.000 1.125 30 T CB -0.175 68.693 68.868 -0.000 0.000 0.908 30 T HN 0.188 nan 8.240 nan 0.000 0.473 31 L N 3.044 124.269 121.223 0.003 0.000 2.667 31 L HA 0.358 4.698 4.340 -0.000 0.000 0.296 31 L C 0.995 177.864 176.870 -0.002 0.000 1.252 31 L CA 1.810 56.651 54.840 0.001 0.000 0.891 31 L CB -0.988 41.073 42.059 0.004 0.000 1.141 31 L HN 0.891 nan 8.230 nan 0.000 0.501 32 G N 3.912 112.705 108.800 -0.011 0.000 2.828 32 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.463 32 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.463 32 G C -1.832 173.051 174.900 -0.028 0.000 1.394 32 G CA -0.247 44.840 45.100 -0.023 0.000 0.862 32 G HN 0.670 nan 8.290 nan 0.000 0.540 33 P HA -0.060 nan 4.420 nan 0.000 0.218 33 P C 1.343 178.627 177.300 -0.027 0.000 1.149 33 P CA 1.109 64.181 63.100 -0.048 0.000 0.817 33 P CB 0.098 31.751 31.700 -0.078 0.000 0.785 34 R N -0.035 120.459 120.500 -0.010 0.000 2.317 34 R HA 0.221 4.561 4.340 -0.000 0.000 0.208 34 R C 1.374 177.681 176.300 0.012 0.000 0.914 34 R CA -0.030 56.077 56.100 0.012 0.000 1.060 34 R CB -0.936 29.391 30.300 0.046 0.000 1.015 34 R HN 0.156 nan 8.270 nan 0.000 0.498 35 G N 1.292 110.095 108.800 0.005 0.000 2.562 35 G HA2 0.058 4.018 3.960 -0.000 0.000 0.233 35 G HA3 0.058 4.018 3.960 -0.000 0.000 0.233 35 G C -0.080 174.821 174.900 0.002 0.000 1.266 35 G CA -0.201 44.901 45.100 0.005 0.000 0.852 35 G HN 0.173 nan 8.290 nan 0.000 0.581 36 R N 0.123 120.625 120.500 0.003 0.000 2.893 36 R HA 0.384 4.724 4.340 -0.000 0.000 0.245 36 R C -0.231 176.067 176.300 -0.003 0.000 1.192 36 R CA -0.924 55.176 56.100 0.000 0.000 1.077 36 R CB 0.889 31.189 30.300 0.002 0.000 1.253 36 R HN 0.515 nan 8.270 nan 0.000 0.505 37 N N -0.307 118.391 118.700 -0.005 0.000 2.456 37 N HA 0.324 5.064 4.740 -0.000 0.000 0.296 37 N C -0.944 174.560 175.510 -0.010 0.000 1.102 37 N CA -0.472 52.573 53.050 -0.008 0.000 0.924 37 N CB 1.752 40.234 38.487 -0.009 0.000 1.186 37 N HN 0.092 nan 8.380 nan 0.000 0.492 38 V N 0.973 120.879 119.914 -0.014 0.000 2.612 38 V HA 0.375 4.495 4.120 -0.000 0.000 0.301 38 V C 0.128 176.212 176.094 -0.018 0.000 1.046 38 V CA -0.771 61.520 62.300 -0.015 0.000 0.946 38 V CB 1.974 33.787 31.823 -0.018 0.000 1.003 38 V HN 0.309 nan 8.190 nan 0.000 0.459 39 V N 5.493 125.398 119.914 -0.016 0.000 2.313 39 V HA 0.396 4.516 4.120 -0.000 0.000 0.278 39 V C -0.250 175.834 176.094 -0.017 0.000 1.017 39 V CA -0.355 61.936 62.300 -0.015 0.000 0.823 39 V CB 1.247 33.063 31.823 -0.012 0.000 1.010 39 V HN 0.590 nan 8.190 nan 0.000 0.443 40 L N 4.416 125.627 121.223 -0.019 0.000 2.257 40 L HA 0.501 4.841 4.340 -0.000 0.000 0.290 40 L C 0.587 177.448 176.870 -0.014 0.000 1.044 40 L CA -0.256 54.573 54.840 -0.018 0.000 0.810 40 L CB 1.182 43.228 42.059 -0.023 0.000 1.193 40 L HN 0.652 nan 8.230 nan 0.000 0.425 41 E N 4.121 124.311 120.200 -0.016 0.000 2.376 41 E HA 0.099 4.449 4.350 -0.000 0.000 0.266 41 E C -0.819 175.773 176.600 -0.012 0.000 1.009 41 E CA -0.449 55.941 56.400 -0.017 0.000 0.902 41 E CB 0.738 30.423 29.700 -0.026 0.000 0.972 41 E HN 0.289 nan 8.360 nan 0.000 0.439 42 K N 3.635 124.033 120.400 -0.004 0.000 2.164 42 K HA 0.185 4.505 4.320 -0.000 0.000 0.258 42 K C 0.624 177.225 176.600 0.001 0.000 0.951 42 K CA -0.560 55.738 56.287 0.017 0.000 0.844 42 K CB 1.440 33.966 32.500 0.044 0.000 1.099 42 K HN 0.483 nan 8.250 nan 0.000 0.435 43 K N 0.948 121.354 120.400 0.011 0.000 2.127 43 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 43 K C 0.990 177.387 176.600 -0.338 0.000 1.047 43 K CA 1.914 58.126 56.287 -0.126 0.000 0.927 43 K CB -0.082 32.424 32.500 0.010 0.000 0.716 43 K HN 0.361 nan 8.250 nan 0.000 0.450 44 F N -0.905 119.042 119.950 -0.005 0.000 2.463 44 F HA 0.213 4.740 4.527 -0.000 0.000 0.271 44 F C 1.801 177.598 175.800 -0.004 0.000 0.888 44 F CA -0.059 57.939 58.000 -0.004 0.000 1.149 44 F CB -0.714 38.283 39.000 -0.004 0.000 1.071 44 F HN -0.031 nan 8.300 nan 0.000 0.802 45 G N 0.313 109.238 108.800 0.207 0.000 2.468 45 G HA2 0.305 4.265 3.960 -0.000 0.000 0.264 45 G HA3 0.305 4.265 3.960 -0.000 0.000 0.264 45 G C 0.201 175.138 174.900 0.061 0.000 1.460 45 G CA 0.202 45.367 45.100 0.108 0.000 1.060 45 G HN 0.326 nan 8.290 nan 0.000 0.543 46 S N 0.599 116.324 115.700 0.042 0.000 2.617 46 S HA 0.459 4.929 4.470 -0.000 0.000 0.259 46 S C -1.720 172.893 174.600 0.021 0.000 1.301 46 S CA -0.615 57.600 58.200 0.025 0.000 0.984 46 S CB 1.421 64.633 63.200 0.019 0.000 0.954 46 S HN 0.561 nan 8.310 nan 0.000 0.572 47 P HA 0.311 nan 4.420 nan 0.000 0.293 47 P C -0.761 176.540 177.300 0.003 0.000 1.304 47 P CA -0.451 62.652 63.100 0.005 0.000 0.767 47 P CB 0.276 31.975 31.700 -0.003 0.000 1.247 48 T N 0.710 115.261 114.554 -0.005 0.000 2.771 48 T HA 0.494 4.844 4.350 -0.000 0.000 0.281 48 T C 0.139 174.827 174.700 -0.020 0.000 0.982 48 T CA -0.240 61.852 62.100 -0.014 0.000 0.978 48 T CB -0.071 68.781 68.868 -0.025 0.000 0.930 48 T HN 0.184 nan 8.240 nan 0.000 0.447 49 I N 4.115 124.674 120.570 -0.018 0.000 2.371 49 I HA 0.287 4.457 4.170 -0.000 0.000 0.282 49 I C 0.444 176.545 176.117 -0.027 0.000 1.031 49 I CA -0.420 60.869 61.300 -0.018 0.000 1.180 49 I CB 0.965 38.961 38.000 -0.008 0.000 1.336 49 I HN 0.586 nan 8.210 nan 0.000 0.467 50 T N 3.814 118.343 114.554 -0.040 0.000 2.870 50 T HA 0.395 4.745 4.350 -0.000 0.000 0.277 50 T C 0.487 175.167 174.700 -0.032 0.000 1.000 50 T CA -0.760 61.306 62.100 -0.056 0.000 0.982 50 T CB 2.305 71.108 68.868 -0.109 0.000 1.249 50 T HN 0.549 nan 8.240 nan 0.000 0.589 51 K N 0.158 120.543 120.400 -0.026 0.000 2.625 51 K HA 0.122 4.442 4.320 -0.000 0.000 0.190 51 K C -0.842 175.761 176.600 0.005 0.000 1.174 51 K CA -0.131 56.152 56.287 -0.006 0.000 1.103 51 K CB 0.658 33.160 32.500 0.004 0.000 0.900 51 K HN 0.581 nan 8.250 nan 0.000 0.540 52 D N -0.013 120.376 120.400 -0.018 0.000 2.274 52 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 52 D C 0.854 177.149 176.300 -0.007 0.000 1.104 52 D CA 0.026 54.029 54.000 0.005 0.000 0.840 52 D CB 1.718 42.488 40.800 -0.050 0.000 1.100 52 D HN 0.325 nan 8.370 nan 0.000 0.477 53 G N 3.129 111.938 108.800 0.015 0.000 2.806 53 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.214 53 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.214 53 G C 1.704 176.605 174.900 0.002 0.000 1.331 53 G CA 2.256 47.361 45.100 0.008 0.000 0.807 53 G HN 0.545 nan 8.290 nan 0.000 0.644 54 V N -0.559 119.362 119.914 0.013 0.000 2.313 54 V HA -0.277 3.843 4.120 -0.000 0.000 0.253 54 V C 2.747 178.837 176.094 -0.006 0.000 1.070 54 V CA 2.988 65.294 62.300 0.009 0.000 1.057 54 V CB -1.847 29.991 31.823 0.025 0.000 0.653 54 V HN 0.418 nan 8.190 nan 0.000 0.450 55 T N 0.518 115.056 114.554 -0.026 0.000 2.652 55 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 55 T C 1.967 176.643 174.700 -0.040 0.000 1.039 55 T CA 2.019 64.086 62.100 -0.056 0.000 1.153 55 T CB -0.479 68.309 68.868 -0.133 0.000 0.863 55 T HN 0.387 nan 8.240 nan 0.000 0.428 56 V N 1.800 121.692 119.914 -0.036 0.000 2.237 56 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 56 V C 2.949 179.033 176.094 -0.017 0.000 1.046 56 V CA 1.738 64.023 62.300 -0.026 0.000 1.007 56 V CB -1.409 30.401 31.823 -0.022 0.000 0.638 56 V HN 0.555 nan 8.190 nan 0.000 0.445 57 A N -0.173 122.640 122.820 -0.012 0.000 1.915 57 A HA -0.352 3.968 4.320 -0.000 0.000 0.220 57 A C 2.245 179.825 177.584 -0.007 0.000 1.198 57 A CA 2.582 54.615 52.037 -0.007 0.000 0.647 57 A CB -0.633 18.366 19.000 -0.002 0.000 0.825 57 A HN 0.585 nan 8.150 nan 0.000 0.456 58 K N -0.823 119.573 120.400 -0.007 0.000 2.209 58 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 58 K C 1.620 178.215 176.600 -0.007 0.000 1.048 58 K CA 1.163 57.447 56.287 -0.005 0.000 0.940 58 K CB -0.058 32.441 32.500 -0.002 0.000 0.729 58 K HN 0.437 nan 8.250 nan 0.000 0.451 59 E N 0.553 120.746 120.200 -0.011 0.000 2.358 59 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 59 E C 0.155 176.746 176.600 -0.014 0.000 1.010 59 E CA 0.278 56.670 56.400 -0.013 0.000 0.856 59 E CB 0.172 29.863 29.700 -0.016 0.000 0.795 59 E HN -0.024 nan 8.360 nan 0.000 0.504 60 V N 2.275 122.181 119.914 -0.014 0.000 2.470 60 V HA 0.053 4.173 4.120 -0.000 0.000 0.276 60 V C 0.085 176.168 176.094 -0.018 0.000 1.040 60 V CA 0.135 62.425 62.300 -0.016 0.000 1.008 60 V CB 0.813 32.628 31.823 -0.014 0.000 0.990 60 V HN 0.011 nan 8.190 nan 0.000 0.477 61 E N 4.711 124.896 120.200 -0.024 0.000 2.283 61 E HA 0.493 4.843 4.350 -0.000 0.000 0.258 61 E C -1.110 175.465 176.600 -0.041 0.000 0.893 61 E CA -0.369 56.013 56.400 -0.031 0.000 0.798 61 E CB 1.121 30.803 29.700 -0.031 0.000 1.242 61 E HN 0.599 nan 8.360 nan 0.000 0.414 62 L N 3.549 124.743 121.223 -0.048 0.000 2.375 62 L HA 0.386 4.726 4.340 -0.000 0.000 0.271 62 L C 1.563 178.378 176.870 -0.091 0.000 1.107 62 L CA -0.289 54.517 54.840 -0.056 0.000 0.806 62 L CB 1.274 43.306 42.059 -0.045 0.000 1.146 62 L HN 0.712 nan 8.230 nan 0.000 0.447 63 E N 0.999 121.146 120.200 -0.088 0.000 2.152 63 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 63 E C 0.138 176.635 176.600 -0.171 0.000 0.983 63 E CA 0.452 56.780 56.400 -0.120 0.000 0.818 63 E CB 0.343 29.998 29.700 -0.075 0.000 0.758 63 E HN 0.700 nan 8.360 nan 0.000 0.467 64 D N -0.482 119.852 120.400 -0.111 0.000 2.317 64 D HA -0.014 4.626 4.640 -0.000 0.000 0.252 64 D C 0.960 177.206 176.300 -0.090 0.000 1.174 64 D CA -0.025 53.928 54.000 -0.078 0.000 0.866 64 D CB 0.625 41.415 40.800 -0.016 0.000 1.127 64 D HN 0.107 nan 8.370 nan 0.000 0.467 65 H N 3.474 122.539 119.070 -0.007 0.000 2.267 65 H HA -0.186 4.370 4.556 -0.000 0.000 0.291 65 H C 1.795 177.116 175.328 -0.012 0.000 1.094 65 H CA 1.579 57.622 56.048 -0.009 0.000 1.227 65 H CB -0.070 29.686 29.762 -0.011 0.000 1.351 65 H HN 0.496 nan 8.280 nan 0.000 0.483 66 L N 0.495 121.788 121.223 0.116 0.000 2.046 66 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 66 L C 2.549 179.434 176.870 0.025 0.000 1.077 66 L CA 1.282 56.154 54.840 0.052 0.000 0.747 66 L CB -0.517 41.563 42.059 0.034 0.000 0.896 66 L HN 0.294 nan 8.230 nan 0.000 0.432 67 E N 0.076 120.285 120.200 0.016 0.000 2.153 67 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 67 E C 1.876 178.472 176.600 -0.006 0.000 0.988 67 E CA 1.278 57.679 56.400 0.001 0.000 0.811 67 E CB -0.073 29.624 29.700 -0.005 0.000 0.746 67 E HN 0.391 nan 8.360 nan 0.000 0.466 68 N N 0.897 119.588 118.700 -0.014 0.000 2.142 68 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 68 N C 1.653 177.161 175.510 -0.004 0.000 1.023 68 N CA 0.919 53.956 53.050 -0.021 0.000 0.852 68 N CB -0.049 38.408 38.487 -0.050 0.000 0.998 68 N HN 0.085 nan 8.380 nan 0.000 0.424 69 I N -0.235 120.341 120.570 0.011 0.000 2.248 69 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 69 I C 2.232 178.351 176.117 0.004 0.000 1.107 69 I CA 1.388 62.695 61.300 0.012 0.000 1.373 69 I CB -0.709 37.300 38.000 0.016 0.000 1.055 69 I HN 0.300 nan 8.210 nan 0.000 0.418 70 G N 0.296 109.098 108.800 0.002 0.000 2.394 70 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.215 70 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.215 70 G C 1.889 176.788 174.900 -0.001 0.000 1.165 70 G CA 0.694 45.794 45.100 0.000 0.000 0.784 70 G HN 0.481 nan 8.290 nan 0.000 0.535 71 A N 0.272 123.089 122.820 -0.004 0.000 1.908 71 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 71 A C 2.420 180.002 177.584 -0.003 0.000 1.181 71 A CA 1.975 54.009 52.037 -0.005 0.000 0.627 71 A CB -0.347 18.647 19.000 -0.011 0.000 0.818 71 A HN 0.334 nan 8.150 nan 0.000 0.445 72 Q N -0.116 119.683 119.800 -0.002 0.000 1.993 72 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 72 Q C 2.247 178.248 176.000 0.001 0.000 0.984 72 Q CA 1.483 57.286 55.803 0.000 0.000 0.837 72 Q CB -0.770 27.970 28.738 0.003 0.000 0.902 72 Q HN 0.708 nan 8.270 nan 0.000 0.423 73 L N 0.437 121.661 121.223 0.001 0.000 2.089 73 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 73 L C 2.462 179.333 176.870 0.002 0.000 1.079 73 L CA 0.861 55.702 54.840 0.002 0.000 0.758 73 L CB -0.574 41.485 42.059 0.001 0.000 0.891 73 L HN 0.170 nan 8.230 nan 0.000 0.433 74 L N -0.450 120.774 121.223 0.001 0.000 2.109 74 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 74 L C 2.516 179.388 176.870 0.002 0.000 1.086 74 L CA 1.633 56.474 54.840 0.002 0.000 0.760 74 L CB -0.382 41.678 42.059 0.001 0.000 0.910 74 L HN 0.056 nan 8.230 nan 0.000 0.437 75 K N -0.432 119.969 120.400 0.002 0.000 2.063 75 K HA -0.278 4.042 4.320 -0.000 0.000 0.208 75 K C 2.046 178.649 176.600 0.005 0.000 1.048 75 K CA 1.909 58.198 56.287 0.003 0.000 0.928 75 K CB -0.195 32.306 32.500 0.001 0.000 0.713 75 K HN 0.464 nan 8.250 nan 0.000 0.442 76 E N 0.751 120.954 120.200 0.005 0.000 2.070 76 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 76 E C 1.898 178.502 176.600 0.007 0.000 1.004 76 E CA 1.419 57.823 56.400 0.006 0.000 0.805 76 E CB 0.075 29.778 29.700 0.005 0.000 0.744 76 E HN 0.026 nan 8.360 nan 0.000 0.451 77 V N 1.234 121.151 119.914 0.006 0.000 2.324 77 V HA -0.335 3.785 4.120 -0.000 0.000 0.250 77 V C 2.435 178.534 176.094 0.008 0.000 1.060 77 V CA 1.956 64.259 62.300 0.006 0.000 1.042 77 V CB -0.931 30.895 31.823 0.005 0.000 0.650 77 V HN 0.492 nan 8.190 nan 0.000 0.450 78 A N 0.692 123.517 122.820 0.008 0.000 1.845 78 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 78 A C 2.592 180.184 177.584 0.013 0.000 1.195 78 A CA 2.700 54.743 52.037 0.010 0.000 0.616 78 A CB -0.988 18.018 19.000 0.009 0.000 0.832 78 A HN 0.686 nan 8.150 nan 0.000 0.443 79 S N 0.019 115.726 115.700 0.013 0.000 2.348 79 S HA -0.225 4.245 4.470 -0.000 0.000 0.221 79 S C 1.917 176.526 174.600 0.015 0.000 1.033 79 S CA 1.829 60.039 58.200 0.016 0.000 1.010 79 S CB -0.477 62.731 63.200 0.015 0.000 0.891 79 S HN 0.412 nan 8.310 nan 0.000 0.442 80 K N 1.454 121.861 120.400 0.012 0.000 2.218 80 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 80 K C 1.908 178.514 176.600 0.010 0.000 1.046 80 K CA 2.018 58.311 56.287 0.010 0.000 0.933 80 K CB -1.149 31.356 32.500 0.008 0.000 0.728 80 K HN 0.539 nan 8.250 nan 0.000 0.454 81 T N -0.228 114.333 114.554 0.011 0.000 2.978 81 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 81 T C 1.447 176.155 174.700 0.013 0.000 1.063 81 T CA 1.142 63.248 62.100 0.010 0.000 1.140 81 T CB -0.301 68.573 68.868 0.010 0.000 0.886 81 T HN 0.362 nan 8.240 nan 0.000 0.470 82 N N 1.394 120.105 118.700 0.018 0.000 2.216 82 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 82 N C 1.344 176.865 175.510 0.019 0.000 1.017 82 N CA 1.122 54.186 53.050 0.023 0.000 0.861 82 N CB -0.138 38.369 38.487 0.034 0.000 0.986 82 N HN 0.166 nan 8.380 nan 0.000 0.428 83 D N -0.557 119.853 120.400 0.016 0.000 2.097 83 D HA -0.069 4.571 4.640 -0.000 0.000 0.197 83 D C 1.813 178.119 176.300 0.009 0.000 0.984 83 D CA 0.873 54.881 54.000 0.014 0.000 0.826 83 D CB -0.324 40.484 40.800 0.013 0.000 0.973 83 D HN 0.095 nan 8.370 nan 0.000 0.460 84 V N 0.063 119.982 119.914 0.008 0.000 3.041 84 V HA 0.062 4.182 4.120 -0.000 0.000 0.260 84 V C 1.731 177.828 176.094 0.004 0.000 1.105 84 V CA 1.524 63.828 62.300 0.006 0.000 1.125 84 V CB 0.039 31.865 31.823 0.005 0.000 0.730 84 V HN 0.261 nan 8.190 nan 0.000 0.479 85 A N -1.974 120.848 122.820 0.004 0.000 2.644 85 A HA 0.507 4.827 4.320 -0.000 0.000 0.193 85 A C 1.763 179.347 177.584 -0.001 0.000 1.464 85 A CA 0.953 52.990 52.037 0.001 0.000 1.095 85 A CB 0.397 19.397 19.000 0.001 0.000 1.405 85 A HN 1.022 nan 8.150 nan 0.000 0.558 86 G N -0.396 108.407 108.800 0.004 0.000 2.228 86 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.270 86 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.270 86 G C -0.012 174.889 174.900 0.002 0.000 0.976 86 G CA 1.119 46.220 45.100 0.003 0.000 0.636 86 G HN 0.957 nan 8.290 nan 0.000 0.542 87 D N -2.389 118.012 120.400 0.002 0.000 2.583 87 D HA 0.583 5.223 4.640 -0.000 0.000 0.248 87 D C 0.774 177.077 176.300 0.005 0.000 1.209 87 D CA 0.967 54.969 54.000 0.002 0.000 0.848 87 D CB 0.747 41.540 40.800 -0.012 0.000 1.431 87 D HN 1.336 nan 8.370 nan 0.000 0.436 88 G N 0.632 109.435 108.800 0.006 0.000 2.137 88 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.237 88 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.237 88 G C 0.894 175.800 174.900 0.009 0.000 1.002 88 G CA 1.081 46.184 45.100 0.004 0.000 0.702 88 G HN 0.723 nan 8.290 nan 0.000 0.515 89 T N -2.567 111.997 114.554 0.016 0.000 2.737 89 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 89 T C 2.272 176.979 174.700 0.012 0.000 1.038 89 T CA 2.309 64.419 62.100 0.017 0.000 1.144 89 T CB -0.553 68.330 68.868 0.025 0.000 0.866 89 T HN 0.296 nan 8.240 nan 0.000 0.434 90 T N 2.237 116.797 114.554 0.012 0.000 2.652 90 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 90 T C 2.273 176.977 174.700 0.005 0.000 1.039 90 T CA 1.969 64.073 62.100 0.007 0.000 1.153 90 T CB -1.126 67.746 68.868 0.006 0.000 0.863 90 T HN 0.474 nan 8.240 nan 0.000 0.428 91 T N 1.870 116.427 114.554 0.004 0.000 2.737 91 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 91 T C 2.286 176.988 174.700 0.004 0.000 1.040 91 T CA 1.280 63.381 62.100 0.002 0.000 1.142 91 T CB -0.511 68.357 68.868 -0.000 0.000 0.861 91 T HN 0.462 nan 8.240 nan 0.000 0.456 92 A N 1.039 123.862 122.820 0.005 0.000 1.929 92 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 92 A C 2.536 180.123 177.584 0.005 0.000 1.176 92 A CA 1.819 53.859 52.037 0.005 0.000 0.628 92 A CB -0.994 18.010 19.000 0.006 0.000 0.816 92 A HN 0.496 nan 8.150 nan 0.000 0.444 93 T N -0.098 114.459 114.554 0.005 0.000 2.643 93 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 93 T C 1.892 176.594 174.700 0.005 0.000 1.045 93 T CA 1.640 63.743 62.100 0.005 0.000 1.155 93 T CB -0.711 68.160 68.868 0.004 0.000 0.863 93 T HN 0.120 nan 8.240 nan 0.000 0.420 94 V N 1.874 121.791 119.914 0.005 0.000 2.231 94 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 94 V C 2.595 178.692 176.094 0.005 0.000 1.058 94 V CA 1.815 64.118 62.300 0.005 0.000 1.022 94 V CB -0.880 30.946 31.823 0.006 0.000 0.640 94 V HN 0.424 nan 8.190 nan 0.000 0.445 95 L N -0.210 121.016 121.223 0.005 0.000 2.129 95 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 95 L C 2.594 179.467 176.870 0.005 0.000 1.087 95 L CA 1.548 56.391 54.840 0.006 0.000 0.757 95 L CB -0.748 41.315 42.059 0.005 0.000 0.896 95 L HN 0.403 nan 8.230 nan 0.000 0.434 96 A N -0.646 122.177 122.820 0.005 0.000 1.854 96 A HA -0.245 4.075 4.320 -0.000 0.000 0.214 96 A C 2.267 179.854 177.584 0.005 0.000 1.192 96 A CA 1.515 53.555 52.037 0.005 0.000 0.611 96 A CB -0.549 18.453 19.000 0.004 0.000 0.832 96 A HN 0.447 nan 8.150 nan 0.000 0.442 97 Q N -0.333 119.470 119.800 0.005 0.000 2.045 97 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 97 Q C 2.204 178.207 176.000 0.005 0.000 0.991 97 Q CA 2.047 57.853 55.803 0.005 0.000 0.851 97 Q CB -0.406 28.334 28.738 0.005 0.000 0.911 97 Q HN 0.588 nan 8.270 nan 0.000 0.418 98 A N 0.993 123.816 122.820 0.006 0.000 1.859 98 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 98 A C 2.039 179.627 177.584 0.007 0.000 1.198 98 A CA 1.830 53.871 52.037 0.007 0.000 0.629 98 A CB -0.956 18.048 19.000 0.007 0.000 0.830 98 A HN 0.539 nan 8.150 nan 0.000 0.446 99 I N -0.332 120.241 120.570 0.006 0.000 2.264 99 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 99 I C 2.314 178.434 176.117 0.006 0.000 1.111 99 I CA 1.216 62.520 61.300 0.006 0.000 1.382 99 I CB -0.351 37.653 38.000 0.006 0.000 1.060 99 I HN 0.179 nan 8.210 nan 0.000 0.418 100 V N 1.777 121.694 119.914 0.006 0.000 2.358 100 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 100 V C 2.632 178.730 176.094 0.006 0.000 1.047 100 V CA 2.259 64.563 62.300 0.006 0.000 1.035 100 V CB -0.889 30.937 31.823 0.005 0.000 0.658 100 V HN 0.528 nan 8.190 nan 0.000 0.452 101 R N 1.017 121.521 120.500 0.006 0.000 2.056 101 R HA -0.172 4.168 4.340 -0.000 0.000 0.227 101 R C 2.162 178.467 176.300 0.007 0.000 1.149 101 R CA 1.839 57.943 56.100 0.007 0.000 0.937 101 R CB -0.823 29.481 30.300 0.006 0.000 0.835 101 R HN 0.389 nan 8.270 nan 0.000 0.430 102 E N 0.960 121.164 120.200 0.007 0.000 2.219 102 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 102 E C 1.828 178.432 176.600 0.008 0.000 0.998 102 E CA 1.941 58.346 56.400 0.007 0.000 0.818 102 E CB -0.556 29.148 29.700 0.007 0.000 0.741 102 E HN 0.588 nan 8.360 nan 0.000 0.477 103 G N -0.169 108.635 108.800 0.008 0.000 2.408 103 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.213 103 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.213 103 G C 1.566 176.471 174.900 0.009 0.000 1.177 103 G CA 0.403 45.508 45.100 0.008 0.000 0.802 103 G HN 0.292 nan 8.290 nan 0.000 0.533 104 L N 0.386 121.614 121.223 0.009 0.000 2.187 104 L HA -0.074 4.266 4.340 -0.000 0.000 0.213 104 L C 2.811 179.687 176.870 0.010 0.000 1.100 104 L CA 1.257 56.103 54.840 0.010 0.000 0.765 104 L CB -0.226 41.839 42.059 0.009 0.000 0.904 104 L HN 0.244 nan 8.230 nan 0.000 0.437 105 K N 0.386 120.792 120.400 0.009 0.000 1.985 105 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 105 K C 1.847 178.453 176.600 0.009 0.000 1.047 105 K CA 1.629 57.921 56.287 0.009 0.000 0.932 105 K CB -0.060 32.444 32.500 0.008 0.000 0.716 105 K HN 0.304 nan 8.250 nan 0.000 0.439 106 N N 0.695 119.400 118.700 0.009 0.000 2.272 106 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 106 N C 1.788 177.304 175.510 0.010 0.000 1.014 106 N CA 1.118 54.173 53.050 0.009 0.000 0.870 106 N CB -0.134 38.358 38.487 0.008 0.000 0.975 106 N HN 0.078 nan 8.380 nan 0.000 0.433 107 V N 1.283 121.203 119.914 0.011 0.000 2.379 107 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 107 V C 2.455 178.557 176.094 0.014 0.000 1.044 107 V CA 1.546 63.854 62.300 0.013 0.000 1.036 107 V CB -0.804 31.027 31.823 0.014 0.000 0.664 107 V HN 0.247 nan 8.190 nan 0.000 0.453 108 A N 0.266 123.094 122.820 0.013 0.000 1.972 108 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 108 A C 2.215 179.806 177.584 0.011 0.000 1.169 108 A CA 1.665 53.710 52.037 0.014 0.000 0.635 108 A CB -0.607 18.401 19.000 0.013 0.000 0.810 108 A HN 0.583 nan 8.150 nan 0.000 0.446 109 A N -1.648 121.179 122.820 0.010 0.000 2.255 109 A HA 0.387 4.707 4.320 -0.000 0.000 0.206 109 A C 1.769 179.358 177.584 0.009 0.000 1.193 109 A CA 1.242 53.285 52.037 0.009 0.000 0.794 109 A CB -1.125 17.879 19.000 0.008 0.000 0.794 109 A HN 1.882 nan 8.150 nan 0.000 0.481 110 G N -2.241 106.565 108.800 0.010 0.000 2.175 110 G HA2 0.078 4.038 3.960 -0.000 0.000 0.244 110 G HA3 0.078 4.038 3.960 -0.000 0.000 0.244 110 G C 0.489 175.395 174.900 0.010 0.000 0.982 110 G CA 0.245 45.351 45.100 0.010 0.000 0.641 110 G HN 1.639 nan 8.290 nan 0.000 0.527 111 A N -0.033 122.793 122.820 0.010 0.000 2.483 111 A HA 0.522 4.842 4.320 -0.000 0.000 0.238 111 A C 0.564 178.154 177.584 0.011 0.000 1.070 111 A CA 0.703 52.746 52.037 0.009 0.000 0.770 111 A CB 0.205 19.210 19.000 0.009 0.000 1.008 111 A HN 1.153 nan 8.150 nan 0.000 0.497 112 N N 2.643 121.349 118.700 0.010 0.000 2.405 112 N HA 0.198 4.938 4.740 -0.000 0.000 0.260 112 N C -1.194 174.322 175.510 0.010 0.000 1.152 112 N CA -1.849 51.207 53.050 0.011 0.000 0.948 112 N CB 0.910 39.402 38.487 0.010 0.000 1.111 112 N HN 0.290 nan 8.380 nan 0.000 0.485 113 P HA -0.200 nan 4.420 nan 0.000 0.216 113 P C 1.365 178.671 177.300 0.009 0.000 1.150 113 P CA 1.259 64.365 63.100 0.011 0.000 0.837 113 P CB 0.291 31.998 31.700 0.012 0.000 0.786 114 L N -0.318 120.911 121.223 0.009 0.000 2.012 114 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 114 L C 2.874 179.749 176.870 0.007 0.000 1.073 114 L CA 2.006 56.851 54.840 0.008 0.000 0.748 114 L CB -1.565 40.499 42.059 0.009 0.000 0.891 114 L HN -0.031 nan 8.230 nan 0.000 0.431 115 A N 0.102 122.927 122.820 0.008 0.000 1.933 115 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 115 A C 2.293 179.881 177.584 0.007 0.000 1.175 115 A CA 1.289 53.330 52.037 0.007 0.000 0.628 115 A CB -0.671 18.334 19.000 0.007 0.000 0.814 115 A HN 0.360 nan 8.150 nan 0.000 0.444 116 L N -0.749 120.478 121.223 0.007 0.000 2.042 116 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 116 L C 2.643 179.517 176.870 0.007 0.000 1.076 116 L CA 2.009 56.853 54.840 0.007 0.000 0.749 116 L CB -0.440 41.624 42.059 0.008 0.000 0.893 116 L HN 0.465 nan 8.230 nan 0.000 0.432 117 K N 0.228 120.632 120.400 0.007 0.000 1.985 117 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 117 K C 2.298 178.902 176.600 0.006 0.000 1.047 117 K CA 1.390 57.681 56.287 0.006 0.000 0.932 117 K CB -0.032 32.472 32.500 0.006 0.000 0.716 117 K HN 0.149 nan 8.250 nan 0.000 0.439 118 R N -0.496 120.008 120.500 0.006 0.000 2.113 118 R HA -0.174 4.166 4.340 -0.000 0.000 0.244 118 R C 2.445 178.749 176.300 0.006 0.000 1.142 118 R CA 1.660 57.764 56.100 0.006 0.000 0.953 118 R CB -0.757 29.546 30.300 0.006 0.000 0.860 118 R HN 0.429 nan 8.270 nan 0.000 0.438 119 G N 1.056 109.860 108.800 0.006 0.000 2.418 119 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 119 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 119 G C 1.484 176.388 174.900 0.006 0.000 1.158 119 G CA 0.618 45.721 45.100 0.006 0.000 0.771 119 G HN 0.184 nan 8.290 nan 0.000 0.545 120 I N 0.478 121.052 120.570 0.006 0.000 2.179 120 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 120 I C 2.774 178.895 176.117 0.006 0.000 1.088 120 I CA 1.315 62.618 61.300 0.006 0.000 1.357 120 I CB -0.330 37.674 38.000 0.006 0.000 1.051 120 I HN 0.261 nan 8.210 nan 0.000 0.409 121 E N 1.151 121.355 120.200 0.006 0.000 2.023 121 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 121 E C 2.194 178.798 176.600 0.006 0.000 1.003 121 E CA 1.478 57.881 56.400 0.006 0.000 0.809 121 E CB -0.095 29.608 29.700 0.005 0.000 0.755 121 E HN 0.425 nan 8.360 nan 0.000 0.449 122 K N 0.507 120.911 120.400 0.006 0.000 2.044 122 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 122 K C 2.264 178.868 176.600 0.006 0.000 1.049 122 K CA 1.215 57.505 56.287 0.006 0.000 0.927 122 K CB -0.262 32.242 32.500 0.006 0.000 0.713 122 K HN 0.086 nan 8.250 nan 0.000 0.443 123 A N 1.261 124.085 122.820 0.006 0.000 1.908 123 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 123 A C 2.452 180.040 177.584 0.007 0.000 1.181 123 A CA 1.693 53.734 52.037 0.007 0.000 0.627 123 A CB -0.769 18.236 19.000 0.007 0.000 0.818 123 A HN 0.090 nan 8.150 nan 0.000 0.445 124 V N 0.060 119.978 119.914 0.007 0.000 2.295 124 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 124 V C 2.380 178.477 176.094 0.006 0.000 1.049 124 V CA 2.245 64.549 62.300 0.006 0.000 1.024 124 V CB -0.993 30.834 31.823 0.006 0.000 0.648 124 V HN 0.629 nan 8.190 nan 0.000 0.447 125 E N 0.569 120.773 120.200 0.006 0.000 2.033 125 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 125 E C 2.373 178.977 176.600 0.006 0.000 1.011 125 E CA 1.561 57.965 56.400 0.006 0.000 0.815 125 E CB -0.434 29.270 29.700 0.006 0.000 0.755 125 E HN 0.585 nan 8.360 nan 0.000 0.451 126 A N 1.429 124.253 122.820 0.007 0.000 1.917 126 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 126 A C 2.382 179.971 177.584 0.008 0.000 1.182 126 A CA 2.028 54.069 52.037 0.007 0.000 0.633 126 A CB -0.732 18.272 19.000 0.008 0.000 0.819 126 A HN 0.325 nan 8.150 nan 0.000 0.448 127 A N -0.596 122.229 122.820 0.008 0.000 1.877 127 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 127 A C 2.245 179.833 177.584 0.008 0.000 1.186 127 A CA 1.828 53.870 52.037 0.009 0.000 0.620 127 A CB -1.053 17.952 19.000 0.008 0.000 0.822 127 A HN 0.443 nan 8.150 nan 0.000 0.443 128 V N 0.141 120.059 119.914 0.007 0.000 2.287 128 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 128 V C 2.520 178.618 176.094 0.006 0.000 1.053 128 V CA 2.408 64.712 62.300 0.006 0.000 1.027 128 V CB -0.896 30.930 31.823 0.005 0.000 0.646 128 V HN 0.758 nan 8.190 nan 0.000 0.447 129 E N 0.236 120.440 120.200 0.007 0.000 2.097 129 E HA -0.344 4.006 4.350 -0.000 0.000 0.196 129 E C 2.178 178.783 176.600 0.008 0.000 1.000 129 E CA 1.898 58.301 56.400 0.007 0.000 0.804 129 E CB -0.059 29.645 29.700 0.007 0.000 0.740 129 E HN 0.498 nan 8.360 nan 0.000 0.454 130 K N 0.566 120.971 120.400 0.009 0.000 2.217 130 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 130 K C 1.825 178.430 176.600 0.010 0.000 1.051 130 K CA 0.911 57.204 56.287 0.010 0.000 0.952 130 K CB -0.131 32.376 32.500 0.012 0.000 0.736 130 K HN 0.195 nan 8.250 nan 0.000 0.453 131 I N 0.610 121.185 120.570 0.008 0.000 2.142 131 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 131 I C 2.060 178.181 176.117 0.007 0.000 1.078 131 I CA 1.395 62.700 61.300 0.007 0.000 1.343 131 I CB -0.308 37.695 38.000 0.006 0.000 1.046 131 I HN 0.125 nan 8.210 nan 0.000 0.405 132 K N 1.298 121.702 120.400 0.006 0.000 2.009 132 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 132 K C 2.298 178.902 176.600 0.007 0.000 1.049 132 K CA 1.700 57.991 56.287 0.006 0.000 0.929 132 K CB -0.488 32.016 32.500 0.005 0.000 0.714 132 K HN 0.311 nan 8.250 nan 0.000 0.440 133 A N 1.240 124.065 122.820 0.008 0.000 2.042 133 A HA -0.172 4.148 4.320 -0.000 0.000 0.222 133 A C 1.918 179.507 177.584 0.010 0.000 1.167 133 A CA 1.541 53.584 52.037 0.008 0.000 0.649 133 A CB -0.581 18.425 19.000 0.009 0.000 0.809 133 A HN 0.246 nan 8.150 nan 0.000 0.457 134 L N -1.242 119.987 121.223 0.010 0.000 2.640 134 L HA 0.286 4.626 4.340 -0.000 0.000 0.230 134 L C 1.159 178.034 176.870 0.009 0.000 1.123 134 L CA -0.117 54.730 54.840 0.011 0.000 0.900 134 L CB -0.132 41.935 42.059 0.014 0.000 1.146 134 L HN 0.337 nan 8.230 nan 0.000 0.484 135 A N 1.077 123.901 122.820 0.007 0.000 2.462 135 A HA 0.453 4.773 4.320 -0.000 0.000 0.243 135 A C -0.210 177.377 177.584 0.005 0.000 1.076 135 A CA 0.237 52.277 52.037 0.005 0.000 0.773 135 A CB 0.157 19.160 19.000 0.004 0.000 1.010 135 A HN 0.198 nan 8.150 nan 0.000 0.493 136 I N 3.303 123.875 120.570 0.004 0.000 2.465 136 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 136 I C -2.381 173.738 176.117 0.002 0.000 1.014 136 I CA -2.269 59.033 61.300 0.004 0.000 1.093 136 I CB 2.639 40.642 38.000 0.004 0.000 1.267 136 I HN 0.425 nan 8.210 nan 0.000 0.431 137 P HA 0.082 nan 4.420 nan 0.000 0.271 137 P C -0.734 176.567 177.300 0.002 0.000 1.216 137 P CA -0.246 62.855 63.100 0.002 0.000 0.776 137 P CB 0.610 32.312 31.700 0.003 0.000 0.881 138 V N 3.533 123.448 119.914 0.002 0.000 2.521 138 V HA 0.081 4.201 4.120 -0.000 0.000 0.286 138 V C 1.052 177.148 176.094 0.003 0.000 1.034 138 V CA 0.677 62.978 62.300 0.002 0.000 1.045 138 V CB 0.030 31.854 31.823 0.001 0.000 0.974 138 V HN 0.634 nan 8.190 nan 0.000 0.480 139 E N 2.480 122.682 120.200 0.004 0.000 2.789 139 E HA 0.188 4.538 4.350 -0.000 0.000 0.217 139 E C -0.596 176.007 176.600 0.005 0.000 0.970 139 E CA -0.113 56.290 56.400 0.004 0.000 1.201 139 E CB 0.805 30.507 29.700 0.004 0.000 1.069 139 E HN 1.009 nan 8.360 nan 0.000 0.499 140 D N -1.056 119.347 120.400 0.006 0.000 2.710 140 D HA 0.051 4.691 4.640 -0.000 0.000 0.276 140 D C 0.465 176.770 176.300 0.009 0.000 1.267 140 D CA -0.705 53.299 54.000 0.007 0.000 0.772 140 D CB 0.961 41.764 40.800 0.005 0.000 1.299 140 D HN -0.242 nan 8.370 nan 0.000 0.421 141 R N 0.605 121.112 120.500 0.011 0.000 2.117 141 R HA -0.176 4.164 4.340 -0.000 0.000 0.243 141 R C 1.835 178.141 176.300 0.010 0.000 1.143 141 R CA 1.823 57.931 56.100 0.014 0.000 0.968 141 R CB -0.333 29.977 30.300 0.017 0.000 0.863 141 R HN 0.590 nan 8.270 nan 0.000 0.444 142 K N -0.292 120.112 120.400 0.006 0.000 1.973 142 K HA -0.106 4.214 4.320 -0.000 0.000 0.212 142 K C 2.001 178.601 176.600 -0.001 0.000 1.047 142 K CA 1.479 57.768 56.287 0.002 0.000 0.937 142 K CB -0.287 32.213 32.500 0.001 0.000 0.721 142 K HN 0.151 nan 8.250 nan 0.000 0.440 143 A N 1.643 124.463 122.820 -0.000 0.000 1.940 143 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 143 A C 2.128 179.709 177.584 -0.004 0.000 1.190 143 A CA 1.991 54.026 52.037 -0.003 0.000 0.647 143 A CB -0.743 18.257 19.000 -0.001 0.000 0.821 143 A HN 0.448 nan 8.150 nan 0.000 0.457 144 I N -1.438 119.132 120.570 0.000 0.000 2.333 144 I HA -0.175 3.995 4.170 -0.000 0.000 0.246 144 I C 2.538 178.653 176.117 -0.002 0.000 1.106 144 I CA 1.497 62.797 61.300 0.000 0.000 1.411 144 I CB -0.460 37.544 38.000 0.007 0.000 1.082 144 I HN 0.566 nan 8.210 nan 0.000 0.420 145 E N 1.361 121.561 120.200 0.000 0.000 2.130 145 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 145 E C 1.867 178.458 176.600 -0.016 0.000 0.998 145 E CA 1.529 57.927 56.400 -0.003 0.000 0.806 145 E CB 0.129 29.829 29.700 0.000 0.000 0.738 145 E HN 0.499 nan 8.360 nan 0.000 0.459 146 E N -0.008 120.182 120.200 -0.017 0.000 2.001 146 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 146 E C 2.272 178.853 176.600 -0.031 0.000 1.002 146 E CA 1.460 57.844 56.400 -0.026 0.000 0.819 146 E CB -0.254 29.432 29.700 -0.023 0.000 0.769 146 E HN 0.107 nan 8.360 nan 0.000 0.454 147 V N 1.784 121.683 119.914 -0.025 0.000 2.277 147 V HA -0.385 3.735 4.120 -0.000 0.000 0.255 147 V C 2.378 178.451 176.094 -0.034 0.000 1.074 147 V CA 2.285 64.569 62.300 -0.027 0.000 1.058 147 V CB -0.926 30.885 31.823 -0.019 0.000 0.656 147 V HN 0.421 nan 8.190 nan 0.000 0.449 148 A N -0.767 122.035 122.820 -0.031 0.000 1.873 148 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 148 A C 2.378 179.923 177.584 -0.065 0.000 1.186 148 A CA 2.449 54.461 52.037 -0.042 0.000 0.616 148 A CB -1.081 17.904 19.000 -0.025 0.000 0.823 148 A HN 0.527 nan 8.150 nan 0.000 0.442 149 T N 0.498 115.017 114.554 -0.059 0.000 2.699 149 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 149 T C 1.785 176.439 174.700 -0.076 0.000 1.036 149 T CA 1.660 63.717 62.100 -0.072 0.000 1.147 149 T CB -0.461 68.374 68.868 -0.056 0.000 0.862 149 T HN 0.410 nan 8.240 nan 0.000 0.446 150 I N 0.701 121.232 120.570 -0.065 0.000 2.094 150 I HA -0.186 3.984 4.170 -0.000 0.000 0.234 150 I C 2.787 178.865 176.117 -0.065 0.000 1.063 150 I CA 1.224 62.485 61.300 -0.064 0.000 1.328 150 I CB -0.540 37.425 38.000 -0.057 0.000 1.058 150 I HN 0.209 nan 8.210 nan 0.000 0.400 151 S N 0.258 115.923 115.700 -0.059 0.000 2.428 151 S HA -0.255 4.215 4.470 -0.000 0.000 0.240 151 S C 1.815 176.372 174.600 -0.071 0.000 1.036 151 S CA 1.785 59.951 58.200 -0.056 0.000 1.009 151 S CB -0.212 62.958 63.200 -0.051 0.000 0.803 151 S HN 0.518 nan 8.310 nan 0.000 0.486 152 A N 0.176 122.937 122.820 -0.099 0.000 2.197 152 A HA 0.368 4.688 4.320 -0.000 0.000 0.210 152 A C 0.881 178.395 177.584 -0.117 0.000 1.180 152 A CA 0.700 52.656 52.037 -0.135 0.000 0.846 152 A CB -0.373 18.491 19.000 -0.227 0.000 0.884 152 A HN 0.643 nan 8.150 nan 0.000 0.487 153 N N 0.145 118.788 118.700 -0.095 0.000 2.738 153 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 153 N C -1.153 174.302 175.510 -0.092 0.000 1.047 153 N CA 1.128 54.129 53.050 -0.081 0.000 0.707 153 N CB -0.871 37.578 38.487 -0.063 0.000 0.937 153 N HN 0.548 nan 8.380 nan 0.000 0.545 154 D N -2.198 118.137 120.400 -0.109 0.000 2.871 154 D HA 0.258 4.898 4.640 -0.000 0.000 0.209 154 D C -2.314 173.924 176.300 -0.103 0.000 1.292 154 D CA -1.257 52.675 54.000 -0.112 0.000 0.869 154 D CB 1.613 42.317 40.800 -0.160 0.000 1.663 154 D HN -0.110 nan 8.370 nan 0.000 0.557 155 P HA -0.029 nan 4.420 nan 0.000 0.215 155 P C 0.969 178.241 177.300 -0.046 0.000 1.157 155 P CA 1.079 64.147 63.100 -0.053 0.000 0.859 155 P CB 0.552 32.230 31.700 -0.037 0.000 0.786 156 E N -0.394 119.780 120.200 -0.043 0.000 2.049 156 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 156 E C 2.023 178.611 176.600 -0.019 0.000 1.007 156 E CA 1.303 57.694 56.400 -0.015 0.000 0.809 156 E CB -0.947 28.753 29.700 -0.000 0.000 0.749 156 E HN 0.002 nan 8.360 nan 0.000 0.450 157 V N 0.986 120.815 119.914 -0.143 0.000 2.332 157 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 157 V C 2.355 178.394 176.094 -0.093 0.000 1.055 157 V CA 2.067 64.195 62.300 -0.287 0.000 1.038 157 V CB -0.946 30.450 31.823 -0.713 0.000 0.651 157 V HN 0.457 nan 8.190 nan 0.000 0.450 158 G N -0.918 107.829 108.800 -0.088 0.000 2.471 158 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 158 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 158 G C 1.601 176.503 174.900 0.003 0.000 1.125 158 G CA 0.904 45.981 45.100 -0.039 0.000 0.775 158 G HN 0.497 nan 8.290 nan 0.000 0.548 159 K N 0.229 120.638 120.400 0.015 0.000 1.975 159 K HA 0.079 4.399 4.320 -0.000 0.000 0.210 159 K C 2.488 179.126 176.600 0.063 0.000 1.041 159 K CA 0.628 56.936 56.287 0.035 0.000 0.942 159 K CB -0.408 32.113 32.500 0.034 0.000 0.729 159 K HN 0.261 nan 8.250 nan 0.000 0.439 160 L N 1.504 122.785 121.223 0.097 0.000 2.051 160 L HA -0.254 4.086 4.340 -0.000 0.000 0.214 160 L C 2.526 179.449 176.870 0.088 0.000 1.076 160 L CA 1.040 55.946 54.840 0.109 0.000 0.758 160 L CB -0.644 41.520 42.059 0.175 0.000 0.890 160 L HN 0.345 nan 8.230 nan 0.000 0.433 161 I N 0.016 120.653 120.570 0.112 0.000 2.361 161 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 161 I C 2.774 178.919 176.117 0.046 0.000 1.133 161 I CA 1.495 62.841 61.300 0.076 0.000 1.413 161 I CB -1.338 36.708 38.000 0.077 0.000 1.073 161 I HN 0.203 nan 8.210 nan 0.000 0.424 162 A N 0.671 123.519 122.820 0.047 0.000 1.874 162 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 162 A C 2.019 179.640 177.584 0.062 0.000 1.189 162 A CA 1.394 53.456 52.037 0.042 0.000 0.615 162 A CB -0.497 18.523 19.000 0.032 0.000 0.830 162 A HN 0.283 nan 8.150 nan 0.000 0.443 163 D N 0.468 120.914 120.400 0.077 0.000 2.103 163 D HA -0.154 4.486 4.640 -0.000 0.000 0.190 163 D C 2.294 178.704 176.300 0.183 0.000 0.997 163 D CA 1.861 55.934 54.000 0.121 0.000 0.833 163 D CB -0.647 40.233 40.800 0.132 0.000 0.961 163 D HN 0.386 nan 8.370 nan 0.000 0.447 164 A N 1.007 123.897 122.820 0.117 0.000 1.841 164 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 164 A C 2.236 179.883 177.584 0.106 0.000 1.199 164 A CA 2.607 54.671 52.037 0.046 0.000 0.621 164 A CB -0.887 18.017 19.000 -0.161 0.000 0.835 164 A HN 0.220 nan 8.150 nan 0.000 0.445 165 M N 0.115 119.746 119.600 0.052 0.000 2.116 165 M HA -0.260 4.220 4.480 -0.000 0.000 0.255 165 M C 1.889 178.232 176.300 0.072 0.000 1.075 165 M CA 2.627 57.956 55.300 0.048 0.000 1.087 165 M CB -0.580 32.039 32.600 0.032 0.000 1.340 165 M HN 0.660 nan 8.290 nan 0.000 0.402 166 E N -0.029 120.222 120.200 0.085 0.000 2.017 166 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 166 E C 0.715 177.367 176.600 0.087 0.000 0.997 166 E CA 1.417 57.861 56.400 0.073 0.000 0.804 166 E CB -0.117 29.622 29.700 0.064 0.000 0.757 166 E HN 0.536 nan 8.360 nan 0.000 0.448 167 K N 0.025 120.514 120.400 0.149 0.000 2.968 167 K HA 0.109 4.429 4.320 -0.000 0.000 0.249 167 K C -0.204 176.524 176.600 0.214 0.000 1.062 167 K CA -0.146 56.211 56.287 0.117 0.000 1.215 167 K CB 0.868 33.349 32.500 -0.032 0.000 1.097 167 K HN 0.013 nan 8.250 nan 0.000 0.462 168 V N -0.922 119.087 119.914 0.159 0.000 3.777 168 V HA 0.123 4.243 4.120 -0.000 0.000 0.285 168 V C 0.385 176.520 176.094 0.069 0.000 1.668 168 V CA -0.104 62.276 62.300 0.133 0.000 1.178 168 V CB 0.459 32.367 31.823 0.142 0.000 0.962 168 V HN 0.587 nan 8.190 nan 0.000 0.411 169 G N 2.503 111.336 108.800 0.056 0.000 2.954 169 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.672 169 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.672 169 G C 0.595 175.512 174.900 0.028 0.000 1.598 169 G CA 0.432 45.553 45.100 0.034 0.000 1.063 169 G HN 0.732 nan 8.290 nan 0.000 0.584 170 K N -0.299 120.113 120.400 0.020 0.000 2.360 170 K HA -0.038 4.282 4.320 -0.000 0.000 0.201 170 K C 1.460 178.066 176.600 0.010 0.000 1.046 170 K CA 2.037 58.332 56.287 0.014 0.000 0.945 170 K CB 0.134 32.641 32.500 0.011 0.000 0.750 170 K HN 0.637 nan 8.250 nan 0.000 0.464 171 E N 1.120 121.327 120.200 0.012 0.000 2.463 171 E HA 0.078 4.428 4.350 -0.000 0.000 0.193 171 E C 0.861 177.466 176.600 0.009 0.000 1.041 171 E CA -0.222 56.183 56.400 0.008 0.000 0.879 171 E CB 0.620 30.325 29.700 0.009 0.000 0.997 171 E HN 0.487 nan 8.360 nan 0.000 0.478 172 G N 1.084 109.892 108.800 0.013 0.000 2.486 172 G HA2 0.384 4.344 3.960 -0.000 0.000 0.272 172 G HA3 0.384 4.344 3.960 -0.000 0.000 0.272 172 G C -0.157 174.742 174.900 -0.002 0.000 1.426 172 G CA -0.375 44.734 45.100 0.014 0.000 1.058 172 G HN 0.071 nan 8.290 nan 0.000 0.531 173 I N -0.126 120.438 120.570 -0.011 0.000 2.571 173 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 173 I C -0.936 175.147 176.117 -0.058 0.000 1.115 173 I CA -0.406 60.875 61.300 -0.032 0.000 1.045 173 I CB 2.190 40.167 38.000 -0.037 0.000 1.238 173 I HN 0.211 nan 8.210 nan 0.000 0.424 174 I N 4.931 125.461 120.570 -0.067 0.000 2.530 174 I HA 0.521 4.691 4.170 -0.000 0.000 0.297 174 I C -0.419 175.639 176.117 -0.100 0.000 1.011 174 I CA -0.461 60.778 61.300 -0.103 0.000 1.107 174 I CB 2.386 40.331 38.000 -0.091 0.000 1.285 174 I HN 0.394 nan 8.210 nan 0.000 0.436 175 T N 4.126 118.601 114.554 -0.131 0.000 2.893 175 T HA 0.462 4.812 4.350 -0.000 0.000 0.293 175 T C -0.662 173.947 174.700 -0.152 0.000 1.027 175 T CA -0.467 61.562 62.100 -0.119 0.000 0.988 175 T CB 2.367 71.169 68.868 -0.109 0.000 1.043 175 T HN 0.192 nan 8.240 nan 0.000 0.461 176 V N 3.224 123.060 119.914 -0.130 0.000 2.347 176 V HA 0.484 4.604 4.120 -0.000 0.000 0.280 176 V C 0.076 176.092 176.094 -0.130 0.000 1.021 176 V CA -0.545 61.655 62.300 -0.167 0.000 0.847 176 V CB 1.145 32.896 31.823 -0.119 0.000 0.990 176 V HN 0.828 nan 8.190 nan 0.000 0.444 177 E N 2.322 122.429 120.200 -0.155 0.000 2.320 177 E HA 0.427 4.777 4.350 -0.000 0.000 0.264 177 E C -0.806 175.734 176.600 -0.101 0.000 0.923 177 E CA -0.878 55.458 56.400 -0.107 0.000 0.796 177 E CB 2.447 32.087 29.700 -0.099 0.000 1.262 177 E HN 0.702 nan 8.360 nan 0.000 0.428 178 E N 1.463 121.626 120.200 -0.062 0.000 1.893 178 E HA 0.102 4.452 4.350 -0.000 0.000 0.269 178 E C -0.335 176.239 176.600 -0.044 0.000 1.129 178 E CA -0.195 56.179 56.400 -0.043 0.000 0.904 178 E CB 0.584 30.272 29.700 -0.020 0.000 1.077 178 E HN 0.381 nan 8.360 nan 0.000 0.407 179 S N 3.479 119.146 115.700 -0.055 0.000 2.658 179 S HA 0.023 4.493 4.470 -0.000 0.000 0.249 179 S C 0.963 175.547 174.600 -0.027 0.000 1.363 179 S CA 0.094 58.266 58.200 -0.046 0.000 0.964 179 S CB 0.600 63.771 63.200 -0.049 0.000 0.973 179 S HN 0.499 nan 8.310 nan 0.000 0.588 180 K N 0.129 120.516 120.400 -0.022 0.000 2.436 180 K HA 0.193 4.513 4.320 -0.000 0.000 0.198 180 K C 0.935 177.530 176.600 -0.008 0.000 1.174 180 K CA 0.373 56.652 56.287 -0.014 0.000 0.951 180 K CB -0.196 32.295 32.500 -0.014 0.000 1.040 180 K HN 0.710 nan 8.250 nan 0.000 0.536 181 S N 0.297 115.992 115.700 -0.009 0.000 2.655 181 S HA 0.279 4.749 4.470 -0.000 0.000 0.265 181 S C 1.429 176.030 174.600 0.001 0.000 1.240 181 S CA -0.577 57.620 58.200 -0.004 0.000 0.986 181 S CB 0.694 63.892 63.200 -0.004 0.000 0.985 181 S HN 0.065 nan 8.310 nan 0.000 0.562 182 L N -0.318 120.909 121.223 0.006 0.000 2.376 182 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 182 L C 1.386 178.266 176.870 0.016 0.000 1.133 182 L CA 0.896 55.743 54.840 0.012 0.000 0.816 182 L CB -0.446 41.620 42.059 0.012 0.000 0.933 182 L HN 0.766 nan 8.230 nan 0.000 0.449 183 E N -0.310 119.898 120.200 0.012 0.000 2.248 183 E HA 0.207 4.557 4.350 -0.000 0.000 0.272 183 E C -0.652 175.953 176.600 0.009 0.000 1.008 183 E CA -0.489 55.921 56.400 0.017 0.000 0.856 183 E CB 1.391 31.100 29.700 0.014 0.000 1.120 183 E HN -0.119 nan 8.360 nan 0.000 0.397 184 T N 3.184 117.750 114.554 0.021 0.000 2.845 184 T HA 0.280 4.630 4.350 -0.000 0.000 0.288 184 T C -0.731 173.955 174.700 -0.024 0.000 0.980 184 T CA -0.422 61.673 62.100 -0.008 0.000 1.071 184 T CB 0.849 69.745 68.868 0.046 0.000 0.941 184 T HN 0.403 nan 8.240 nan 0.000 0.487 185 E N 1.352 121.511 120.200 -0.068 0.000 2.293 185 E HA 0.505 4.855 4.350 -0.000 0.000 0.270 185 E C -1.344 175.194 176.600 -0.103 0.000 0.879 185 E CA -0.990 55.375 56.400 -0.057 0.000 0.756 185 E CB 2.189 31.864 29.700 -0.041 0.000 1.208 185 E HN 0.248 nan 8.360 nan 0.000 0.428 186 L N 2.308 123.486 121.223 -0.076 0.000 2.296 186 L HA 0.491 4.831 4.340 -0.000 0.000 0.286 186 L C -1.303 175.510 176.870 -0.095 0.000 1.023 186 L CA -0.090 54.667 54.840 -0.139 0.000 0.812 186 L CB 0.544 42.541 42.059 -0.102 0.000 1.223 186 L HN 0.431 nan 8.230 nan 0.000 0.421 187 K N 4.865 125.150 120.400 -0.192 0.000 2.501 187 K HA 0.545 4.865 4.320 -0.000 0.000 0.252 187 K C -1.569 174.946 176.600 -0.143 0.000 0.934 187 K CA -0.474 55.785 56.287 -0.046 0.000 0.797 187 K CB 1.985 34.472 32.500 -0.023 0.000 1.270 187 K HN 0.301 nan 8.250 nan 0.000 0.431 188 F N 0.593 120.522 119.950 -0.036 0.000 2.483 188 F HA 0.515 5.042 4.527 -0.000 0.000 0.329 188 F C 0.253 176.032 175.800 -0.036 0.000 1.064 188 F CA -1.041 56.938 58.000 -0.035 0.000 0.986 188 F CB 1.234 40.218 39.000 -0.027 0.000 1.218 188 F HN 0.018 nan 8.300 nan 0.000 0.484 189 V N 1.477 121.481 119.914 0.150 0.000 2.581 189 V HA 0.294 4.414 4.120 -0.000 0.000 0.303 189 V C 0.218 176.350 176.094 0.064 0.000 1.041 189 V CA -0.484 61.854 62.300 0.064 0.000 0.907 189 V CB 1.804 33.631 31.823 0.007 0.000 0.994 189 V HN 0.739 nan 8.190 nan 0.000 0.442 190 E N 2.281 122.503 120.200 0.036 0.000 2.012 190 E HA 0.190 4.540 4.350 -0.000 0.000 0.192 190 E C 1.090 177.710 176.600 0.032 0.000 0.977 190 E CA 1.377 57.795 56.400 0.029 0.000 0.832 190 E CB -0.331 29.378 29.700 0.015 0.000 0.790 190 E HN 0.840 nan 8.360 nan 0.000 0.466 191 G N -1.527 107.296 108.800 0.037 0.000 3.039 191 G HA2 0.209 4.169 3.960 -0.000 0.000 0.159 191 G HA3 0.209 4.169 3.960 -0.000 0.000 0.159 191 G C -1.241 173.716 174.900 0.094 0.000 1.284 191 G CA -0.651 44.489 45.100 0.068 0.000 0.996 191 G HN 0.274 nan 8.290 nan 0.000 0.592 192 Y N 1.844 122.158 120.300 0.023 0.000 2.480 192 Y HA 0.394 4.944 4.550 -0.000 0.000 0.341 192 Y C 0.570 176.498 175.900 0.046 0.000 1.031 192 Y CA -0.415 57.717 58.100 0.053 0.000 1.295 192 Y CB 0.165 38.673 38.460 0.079 0.000 1.162 192 Y HN 0.510 nan 8.280 nan 0.000 0.523 193 Q N 6.311 126.166 119.800 0.092 0.000 2.413 193 Q HA 0.650 4.990 4.340 -0.000 0.000 0.276 193 Q C -1.869 174.191 176.000 0.100 0.000 1.099 193 Q CA -1.006 54.834 55.803 0.061 0.000 0.814 193 Q CB 2.472 31.174 28.738 -0.059 0.000 1.379 193 Q HN 0.593 nan 8.270 nan 0.000 0.436 194 F N -1.515 118.503 119.950 0.113 0.000 2.601 194 F HA 0.447 4.974 4.527 -0.000 0.000 0.309 194 F C -0.953 174.872 175.800 0.043 0.000 1.089 194 F CA -1.303 56.745 58.000 0.081 0.000 0.940 194 F CB 1.363 40.471 39.000 0.180 0.000 1.273 194 F HN 0.428 nan 8.300 nan 0.000 0.450 195 D N 3.474 123.990 120.400 0.193 0.000 2.662 195 D HA 0.117 4.757 4.640 -0.000 0.000 0.228 195 D C -0.392 175.994 176.300 0.142 0.000 1.093 195 D CA 0.540 54.593 54.000 0.090 0.000 1.075 195 D CB 0.058 40.894 40.800 0.060 0.000 1.122 195 D HN 0.283 nan 8.370 nan 0.000 0.475 196 K N 0.444 120.924 120.400 0.133 0.000 2.565 196 K HA 0.483 4.803 4.320 -0.000 0.000 0.251 196 K C 0.010 176.627 176.600 0.028 0.000 0.956 196 K CA -0.625 55.768 56.287 0.176 0.000 0.809 196 K CB 2.739 35.515 32.500 0.460 0.000 1.267 196 K HN 0.260 nan 8.250 nan 0.000 0.438 197 G N 0.867 109.651 108.800 -0.026 0.000 2.887 197 G HA2 0.488 4.448 3.960 -0.000 0.000 0.277 197 G HA3 0.488 4.448 3.960 -0.000 0.000 0.277 197 G C -0.766 174.134 174.900 -0.001 0.000 1.346 197 G CA -0.611 44.404 45.100 -0.142 0.000 1.058 197 G HN 0.438 nan 8.290 nan 0.000 0.535 198 Y N -0.911 119.463 120.300 0.124 0.000 2.702 198 Y HA 0.283 4.833 4.550 -0.000 0.000 0.336 198 Y C 1.342 177.339 175.900 0.162 0.000 1.235 198 Y CA -0.952 57.272 58.100 0.206 0.000 1.492 198 Y CB 0.151 38.779 38.460 0.281 0.000 1.308 198 Y HN 0.251 nan 8.280 nan 0.000 0.589 199 I N 0.847 121.663 120.570 0.409 0.000 2.928 199 I HA -0.061 4.109 4.170 -0.000 0.000 0.266 199 I C 0.790 177.011 176.117 0.173 0.000 1.234 199 I CA 1.089 62.536 61.300 0.246 0.000 1.483 199 I CB -0.123 38.005 38.000 0.213 0.000 1.097 199 I HN 0.621 nan 8.210 nan 0.000 0.455 200 S N -0.994 114.787 115.700 0.134 0.000 2.535 200 S HA 0.334 4.804 4.470 -0.000 0.000 0.272 200 S C -2.119 172.332 174.600 -0.249 0.000 1.149 200 S CA -1.080 57.097 58.200 -0.039 0.000 0.888 200 S CB 1.680 64.780 63.200 -0.166 0.000 1.110 200 S HN -0.260 nan 8.310 nan 0.000 0.463 201 P HA -0.108 nan 4.420 nan 0.000 0.215 201 P C 0.790 177.733 177.300 -0.595 0.000 1.157 201 P CA 1.404 64.158 63.100 -0.576 0.000 0.874 201 P CB -0.173 31.308 31.700 -0.366 0.000 0.790 202 Y N -1.455 118.597 120.300 -0.413 0.000 2.265 202 Y HA -0.238 4.312 4.550 -0.000 0.000 0.280 202 Y C 2.062 177.840 175.900 -0.203 0.000 1.222 202 Y CA 1.113 59.024 58.100 -0.314 0.000 1.226 202 Y CB -1.890 36.369 38.460 -0.335 0.000 0.968 202 Y HN 0.017 nan 8.280 nan 0.000 0.540 203 F N -0.612 119.254 119.950 -0.140 0.000 2.771 203 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 203 F C 0.899 176.596 175.800 -0.171 0.000 1.177 203 F CA -0.716 57.203 58.000 -0.135 0.000 1.450 203 F CB -0.233 38.700 39.000 -0.112 0.000 1.114 203 F HN -0.243 nan 8.300 nan 0.000 0.587 204 V N 0.376 120.226 119.914 -0.106 0.000 2.901 204 V HA -0.136 3.984 4.120 -0.000 0.000 0.307 204 V C 0.895 176.999 176.094 0.017 0.000 1.084 204 V CA 0.796 63.056 62.300 -0.065 0.000 1.184 204 V CB 0.793 32.553 31.823 -0.105 0.000 0.941 204 V HN 0.191 nan 8.190 nan 0.000 0.493 205 T N 1.526 116.102 114.554 0.036 0.000 2.964 205 T HA 0.105 4.455 4.350 -0.000 0.000 0.249 205 T C 0.638 175.353 174.700 0.025 0.000 1.000 205 T CA 0.084 62.204 62.100 0.034 0.000 0.992 205 T CB 0.005 68.895 68.868 0.036 0.000 1.087 205 T HN 0.635 nan 8.240 nan 0.000 0.489 206 N N 1.602 120.320 118.700 0.030 0.000 2.342 206 N HA 0.291 5.031 4.740 -0.000 0.000 0.293 206 N C -2.067 173.454 175.510 0.018 0.000 1.026 206 N CA -2.174 50.891 53.050 0.024 0.000 0.857 206 N CB 2.840 41.345 38.487 0.030 0.000 1.256 206 N HN -0.079 nan 8.380 nan 0.000 0.484 207 P HA -0.059 nan 4.420 nan 0.000 0.212 207 P C 0.544 177.848 177.300 0.006 0.000 1.179 207 P CA 1.358 64.459 63.100 0.001 0.000 0.898 207 P CB 0.639 32.338 31.700 -0.002 0.000 0.775 208 E N -0.130 120.075 120.200 0.008 0.000 2.058 208 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 208 E C 2.013 178.623 176.600 0.017 0.000 0.997 208 E CA 1.883 58.289 56.400 0.009 0.000 0.801 208 E CB -0.990 28.714 29.700 0.007 0.000 0.746 208 E HN 0.299 nan 8.360 nan 0.000 0.450 209 T N 0.887 115.455 114.554 0.024 0.000 3.023 209 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 209 T C 0.866 175.603 174.700 0.061 0.000 1.093 209 T CA 0.535 62.655 62.100 0.034 0.000 1.129 209 T CB -0.039 68.849 68.868 0.033 0.000 0.899 209 T HN 0.175 nan 8.240 nan 0.000 0.491 210 M N 1.312 120.953 119.600 0.067 0.000 2.461 210 M HA -0.192 4.288 4.480 -0.000 0.000 0.203 210 M C 0.001 176.446 176.300 0.242 0.000 0.428 210 M CA 0.768 56.137 55.300 0.114 0.000 0.509 210 M CB -1.886 30.786 32.600 0.121 0.000 1.851 210 M HN 0.626 nan 8.290 nan 0.000 0.834 211 E N -0.048 120.264 120.200 0.187 0.000 2.393 211 E HA 0.880 5.230 4.350 -0.000 0.000 0.265 211 E C -0.566 176.145 176.600 0.184 0.000 0.941 211 E CA -0.942 55.616 56.400 0.263 0.000 0.801 211 E CB 2.042 31.826 29.700 0.139 0.000 1.313 211 E HN 0.283 nan 8.360 nan 0.000 0.435 212 A N 1.270 124.208 122.820 0.197 0.000 2.431 212 A HA 0.462 4.782 4.320 -0.000 0.000 0.318 212 A C -0.825 176.801 177.584 0.070 0.000 1.330 212 A CA -0.697 51.413 52.037 0.122 0.000 0.804 212 A CB 0.529 19.620 19.000 0.152 0.000 1.135 212 A HN 0.307 nan 8.150 nan 0.000 0.483 213 V N 3.715 123.655 119.914 0.043 0.000 2.432 213 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 213 V C -0.131 175.968 176.094 0.008 0.000 1.043 213 V CA -0.029 62.282 62.300 0.019 0.000 0.925 213 V CB 0.927 32.758 31.823 0.013 0.000 0.985 213 V HN 0.699 nan 8.190 nan 0.000 0.466 214 L N 5.175 126.395 121.223 -0.005 0.000 2.388 214 L HA 0.483 4.823 4.340 -0.000 0.000 0.267 214 L C 0.141 176.993 176.870 -0.030 0.000 0.995 214 L CA -0.422 54.409 54.840 -0.015 0.000 0.864 214 L CB 1.301 43.347 42.059 -0.021 0.000 1.216 214 L HN 0.608 nan 8.230 nan 0.000 0.430 215 E N 2.529 122.712 120.200 -0.028 0.000 2.344 215 E HA -0.019 4.331 4.350 -0.000 0.000 0.270 215 E C -0.144 176.414 176.600 -0.070 0.000 1.021 215 E CA -0.185 56.190 56.400 -0.042 0.000 0.887 215 E CB 0.693 30.375 29.700 -0.029 0.000 0.997 215 E HN 0.462 nan 8.360 nan 0.000 0.429 216 D N 1.593 121.932 120.400 -0.102 0.000 2.735 216 D HA -0.204 4.436 4.640 -0.000 0.000 0.235 216 D C -1.014 175.130 176.300 -0.261 0.000 1.175 216 D CA 0.827 54.721 54.000 -0.177 0.000 0.683 216 D CB -0.886 39.819 40.800 -0.158 0.000 1.008 216 D HN 0.547 nan 8.370 nan 0.000 0.416 217 A N 0.743 123.440 122.820 -0.206 0.000 2.286 217 A HA 0.631 4.951 4.320 -0.000 0.000 0.286 217 A C 0.089 177.499 177.584 -0.291 0.000 1.097 217 A CA -0.396 51.538 52.037 -0.172 0.000 0.821 217 A CB 0.464 19.426 19.000 -0.063 0.000 1.076 217 A HN 0.198 nan 8.150 nan 0.000 0.490 218 F N -0.325 119.602 119.950 -0.038 0.000 2.399 218 F HA 0.566 5.093 4.527 0.000 0.000 0.328 218 F C 0.271 176.043 175.800 -0.047 0.000 1.084 218 F CA -0.097 57.878 58.000 -0.041 0.000 1.053 218 F CB 1.524 40.499 39.000 -0.041 0.000 1.209 218 F HN 0.252 nan 8.300 nan 0.000 0.502 219 I N 4.090 124.735 120.570 0.126 0.000 2.420 219 I HA 0.222 4.392 4.170 -0.000 0.000 0.282 219 I C -1.099 175.034 176.117 0.026 0.000 1.019 219 I CA -0.762 60.565 61.300 0.046 0.000 1.130 219 I CB 1.502 39.502 38.000 -0.000 0.000 1.262 219 I HN 0.291 nan 8.210 nan 0.000 0.454 220 L N 8.374 129.604 121.223 0.012 0.000 2.350 220 L HA 0.516 4.856 4.340 -0.000 0.000 0.275 220 L C -0.431 176.422 176.870 -0.029 0.000 1.099 220 L CA 0.264 55.094 54.840 -0.016 0.000 0.808 220 L CB 0.801 42.850 42.059 -0.016 0.000 1.149 220 L HN 0.438 nan 8.230 nan 0.000 0.442 221 I N 6.110 126.650 120.570 -0.050 0.000 2.782 221 I HA 0.232 4.402 4.170 -0.000 0.000 0.279 221 I C -0.848 175.238 176.117 -0.051 0.000 1.247 221 I CA -0.509 60.757 61.300 -0.057 0.000 1.062 221 I CB 1.121 39.075 38.000 -0.077 0.000 1.421 221 I HN 0.212 nan 8.210 nan 0.000 0.558 222 V N 3.879 123.774 119.914 -0.031 0.000 2.546 222 V HA 0.145 4.265 4.120 -0.000 0.000 0.284 222 V C 1.303 177.388 176.094 -0.015 0.000 1.050 222 V CA -0.093 62.197 62.300 -0.017 0.000 0.981 222 V CB 1.983 33.805 31.823 -0.002 0.000 0.990 222 V HN 0.721 nan 8.190 nan 0.000 0.474 223 E N 2.885 123.081 120.200 -0.007 0.000 2.051 223 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 223 E C 0.582 177.184 176.600 0.003 0.000 0.979 223 E CA 0.714 57.110 56.400 -0.007 0.000 0.803 223 E CB 0.300 29.999 29.700 -0.001 0.000 0.761 223 E HN 0.674 nan 8.360 nan 0.000 0.451 224 K N 1.036 121.443 120.400 0.011 0.000 2.273 224 K HA 0.146 4.466 4.320 -0.000 0.000 0.240 224 K C 0.143 176.756 176.600 0.021 0.000 1.056 224 K CA -0.272 56.026 56.287 0.017 0.000 0.910 224 K CB 0.315 32.826 32.500 0.019 0.000 1.196 224 K HN -0.125 nan 8.250 nan 0.000 0.509 225 K N -0.040 120.375 120.400 0.026 0.000 2.107 225 K HA 0.329 4.649 4.320 -0.000 0.000 0.251 225 K C -1.089 175.528 176.600 0.029 0.000 1.012 225 K CA -0.519 55.786 56.287 0.031 0.000 0.920 225 K CB 0.638 33.158 32.500 0.033 0.000 1.033 225 K HN 0.236 nan 8.250 nan 0.000 0.478 226 V N 3.035 122.969 119.914 0.033 0.000 2.439 226 V HA 0.089 4.209 4.120 -0.000 0.000 0.277 226 V C 0.184 176.299 176.094 0.034 0.000 1.008 226 V CA -0.480 61.838 62.300 0.031 0.000 0.846 226 V CB 0.956 32.798 31.823 0.031 0.000 1.031 226 V HN 0.961 nan 8.190 nan 0.000 0.441 227 S N 1.467 117.184 115.700 0.028 0.000 2.554 227 S HA 0.143 4.613 4.470 -0.000 0.000 0.227 227 S C 0.700 175.312 174.600 0.020 0.000 1.050 227 S CA -0.141 58.074 58.200 0.025 0.000 0.927 227 S CB 0.157 63.371 63.200 0.023 0.000 0.859 227 S HN 0.578 nan 8.310 nan 0.000 0.494 228 N N 2.270 120.980 118.700 0.018 0.000 2.411 228 N HA 0.181 4.921 4.740 -0.000 0.000 0.259 228 N C 1.064 176.581 175.510 0.013 0.000 1.103 228 N CA 0.086 53.144 53.050 0.014 0.000 0.954 228 N CB 1.514 40.008 38.487 0.013 0.000 1.085 228 N HN 0.060 nan 8.380 nan 0.000 0.485 229 V N 5.749 125.670 119.914 0.010 0.000 2.307 229 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 229 V C 2.370 178.468 176.094 0.006 0.000 1.045 229 V CA 1.481 63.787 62.300 0.009 0.000 1.024 229 V CB -0.463 31.363 31.823 0.006 0.000 0.651 229 V HN 0.680 nan 8.190 nan 0.000 0.449 230 R N 0.331 120.834 120.500 0.005 0.000 2.168 230 R HA -0.289 4.051 4.340 -0.000 0.000 0.242 230 R C 2.289 178.592 176.300 0.004 0.000 1.123 230 R CA 2.423 58.525 56.100 0.003 0.000 0.928 230 R CB -0.659 29.643 30.300 0.004 0.000 0.873 230 R HN 0.640 nan 8.270 nan 0.000 0.434 231 E N 0.603 120.807 120.200 0.007 0.000 2.086 231 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 231 E C 2.185 178.787 176.600 0.005 0.000 1.012 231 E CA 1.486 57.891 56.400 0.008 0.000 0.812 231 E CB -0.282 29.425 29.700 0.012 0.000 0.743 231 E HN 0.355 nan 8.360 nan 0.000 0.453 232 L N 0.611 121.836 121.223 0.004 0.000 2.005 232 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 232 L C 2.566 179.431 176.870 -0.008 0.000 1.072 232 L CA 0.777 55.617 54.840 -0.001 0.000 0.744 232 L CB -0.565 41.497 42.059 0.006 0.000 0.895 232 L HN 0.190 nan 8.230 nan 0.000 0.433 233 L N -0.215 121.005 121.223 -0.005 0.000 2.077 233 L HA -0.304 4.036 4.340 -0.000 0.000 0.231 233 L C -0.146 176.714 176.870 -0.017 0.000 1.100 233 L CA 2.142 56.977 54.840 -0.009 0.000 0.819 233 L CB -2.571 39.484 42.059 -0.006 0.000 0.913 233 L HN 0.280 nan 8.230 nan 0.000 0.446 234 P HA -0.255 nan 4.420 nan 0.000 0.215 234 P C 1.865 179.143 177.300 -0.037 0.000 1.163 234 P CA 1.960 65.047 63.100 -0.022 0.000 0.894 234 P CB -0.099 31.592 31.700 -0.014 0.000 0.791 235 I N -0.993 119.552 120.570 -0.041 0.000 2.315 235 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 235 I C 2.413 178.485 176.117 -0.075 0.000 1.117 235 I CA 0.993 62.254 61.300 -0.065 0.000 1.404 235 I CB -0.300 37.666 38.000 -0.057 0.000 1.071 235 I HN -0.169 nan 8.210 nan 0.000 0.419 236 L N 0.368 121.560 121.223 -0.051 0.000 2.187 236 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 236 L C 2.335 179.175 176.870 -0.050 0.000 1.100 236 L CA 1.390 56.203 54.840 -0.044 0.000 0.765 236 L CB -0.479 41.567 42.059 -0.023 0.000 0.904 236 L HN 0.316 nan 8.230 nan 0.000 0.437 237 E N -0.499 119.672 120.200 -0.049 0.000 2.030 237 E HA -0.172 4.178 4.350 -0.000 0.000 0.189 237 E C 2.095 178.653 176.600 -0.070 0.000 0.974 237 E CA 0.547 56.919 56.400 -0.047 0.000 0.807 237 E CB -0.147 29.532 29.700 -0.036 0.000 0.771 237 E HN 0.481 nan 8.360 nan 0.000 0.451 238 Q N 0.595 120.345 119.800 -0.084 0.000 2.224 238 Q HA -0.226 4.114 4.340 -0.000 0.000 0.213 238 Q C 2.295 178.194 176.000 -0.168 0.000 0.998 238 Q CA 2.017 57.751 55.803 -0.114 0.000 0.895 238 Q CB -0.287 28.375 28.738 -0.128 0.000 0.926 238 Q HN 0.164 nan 8.270 nan 0.000 0.417 239 V N 0.061 119.861 119.914 -0.190 0.000 2.500 239 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 239 V C 2.239 178.266 176.094 -0.111 0.000 1.039 239 V CA 1.252 63.408 62.300 -0.240 0.000 1.053 239 V CB -1.000 30.679 31.823 -0.241 0.000 0.695 239 V HN 0.382 nan 8.190 nan 0.000 0.463 240 A N -0.081 122.697 122.820 -0.071 0.000 1.927 240 A HA -0.351 3.969 4.320 -0.000 0.000 0.220 240 A C 2.160 179.730 177.584 -0.025 0.000 1.185 240 A CA 2.400 54.417 52.037 -0.033 0.000 0.639 240 A CB -0.581 18.403 19.000 -0.026 0.000 0.820 240 A HN 0.643 nan 8.150 nan 0.000 0.451 241 Q N -1.305 118.472 119.800 -0.037 0.000 2.297 241 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 241 Q C 1.645 177.633 176.000 -0.020 0.000 0.962 241 Q CA 1.457 57.245 55.803 -0.026 0.000 0.879 241 Q CB -0.117 28.602 28.738 -0.031 0.000 0.947 241 Q HN 0.673 nan 8.270 nan 0.000 0.462 242 T N -0.629 113.905 114.554 -0.034 0.000 3.088 242 T HA 0.071 4.421 4.350 -0.000 0.000 0.259 242 T C 1.096 175.825 174.700 0.049 0.000 1.122 242 T CA 0.629 62.728 62.100 -0.002 0.000 1.095 242 T CB 0.022 68.860 68.868 -0.050 0.000 0.930 242 T HN 0.546 nan 8.240 nan 0.000 0.508 243 G N 2.541 111.362 108.800 0.035 0.000 2.305 243 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.287 243 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.287 243 G C -0.162 174.787 174.900 0.082 0.000 1.036 243 G CA 0.207 45.336 45.100 0.047 0.000 0.887 243 G HN 0.478 nan 8.290 nan 0.000 0.505 244 K N -0.258 120.225 120.400 0.138 0.000 2.328 244 K HA 0.472 4.792 4.320 -0.000 0.000 0.246 244 K C -2.715 173.991 176.600 0.176 0.000 0.955 244 K CA -2.290 54.112 56.287 0.193 0.000 0.817 244 K CB 2.319 35.068 32.500 0.415 0.000 1.208 244 K HN -0.090 nan 8.250 nan 0.000 0.432 245 P HA 0.000 nan 4.420 nan 0.000 0.266 245 P C -1.178 176.182 177.300 0.100 0.000 1.195 245 P CA -0.241 62.893 63.100 0.057 0.000 0.768 245 P CB 0.408 32.112 31.700 0.007 0.000 0.838 246 L N 4.391 125.637 121.223 0.037 0.000 2.381 246 L HA 0.560 4.900 4.340 -0.000 0.000 0.274 246 L C -1.553 175.290 176.870 -0.044 0.000 0.988 246 L CA -0.795 54.068 54.840 0.039 0.000 0.824 246 L CB 1.588 43.655 42.059 0.014 0.000 1.263 246 L HN 0.113 nan 8.230 nan 0.000 0.410 247 L N 6.602 127.818 121.223 -0.012 0.000 2.280 247 L HA 0.598 4.938 4.340 -0.000 0.000 0.287 247 L C -1.041 175.821 176.870 -0.014 0.000 1.023 247 L CA -0.017 54.803 54.840 -0.033 0.000 0.819 247 L CB 1.002 43.059 42.059 -0.004 0.000 1.212 247 L HN 0.558 nan 8.230 nan 0.000 0.420 248 I N 6.803 127.354 120.570 -0.032 0.000 2.307 248 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 248 I C -0.379 175.757 176.117 0.032 0.000 1.021 248 I CA -0.175 61.123 61.300 -0.004 0.000 1.224 248 I CB 1.049 39.043 38.000 -0.011 0.000 1.376 248 I HN 0.523 nan 8.210 nan 0.000 0.470 249 I N 6.878 127.463 120.570 0.025 0.000 2.442 249 I HA 0.483 4.653 4.170 -0.000 0.000 0.279 249 I C 0.257 176.370 176.117 -0.007 0.000 1.081 249 I CA -0.023 61.292 61.300 0.025 0.000 1.197 249 I CB 0.725 38.726 38.000 0.002 0.000 1.394 249 I HN 0.590 nan 8.210 nan 0.000 0.488 250 A N 4.125 126.953 122.820 0.014 0.000 2.387 250 A HA 0.434 4.754 4.320 -0.000 0.000 0.303 250 A C 1.078 178.671 177.584 0.014 0.000 1.145 250 A CA -0.487 51.554 52.037 0.008 0.000 0.801 250 A CB 1.449 20.461 19.000 0.021 0.000 1.342 250 A HN 0.586 nan 8.150 nan 0.000 0.440 251 E N -0.331 119.877 120.200 0.014 0.000 2.171 251 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 251 E C -0.361 176.266 176.600 0.045 0.000 0.997 251 E CA 1.950 58.365 56.400 0.026 0.000 0.810 251 E CB 0.135 29.852 29.700 0.029 0.000 0.738 251 E HN 0.668 nan 8.360 nan 0.000 0.467 252 D N -2.725 117.704 120.400 0.048 0.000 2.798 252 D HA 0.161 4.801 4.640 -0.000 0.000 0.265 252 D C -1.949 174.390 176.300 0.064 0.000 1.223 252 D CA -0.446 53.591 54.000 0.062 0.000 0.743 252 D CB 1.414 42.248 40.800 0.057 0.000 1.276 252 D HN -0.184 nan 8.370 nan 0.000 0.421 253 V N 2.239 122.201 119.914 0.079 0.000 2.445 253 V HA 0.452 4.572 4.120 -0.000 0.000 0.283 253 V C -0.487 175.652 176.094 0.075 0.000 1.014 253 V CA -0.631 61.718 62.300 0.083 0.000 0.852 253 V CB 1.151 33.045 31.823 0.118 0.000 1.021 253 V HN 0.549 nan 8.190 nan 0.000 0.435 254 E N 3.077 123.310 120.200 0.054 0.000 2.339 254 E HA 0.878 5.228 4.350 -0.000 0.000 0.262 254 E C 0.525 177.143 176.600 0.030 0.000 0.934 254 E CA -0.334 56.090 56.400 0.041 0.000 0.802 254 E CB 2.340 32.061 29.700 0.036 0.000 1.275 254 E HN 0.897 nan 8.360 nan 0.000 0.427 255 G N 1.744 110.555 108.800 0.019 0.000 2.547 255 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.271 255 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.271 255 G C 0.731 175.634 174.900 0.004 0.000 1.209 255 G CA 0.562 45.667 45.100 0.010 0.000 0.959 255 G HN 0.870 nan 8.290 nan 0.000 0.563 256 E N 0.567 120.769 120.200 0.003 0.000 2.268 256 E HA 0.155 4.505 4.350 -0.000 0.000 0.195 256 E C 2.643 179.248 176.600 0.008 0.000 0.995 256 E CA 1.730 58.129 56.400 -0.002 0.000 0.836 256 E CB -0.288 29.411 29.700 -0.002 0.000 0.763 256 E HN 1.090 nan 8.360 nan 0.000 0.491 257 A N 1.873 124.704 122.820 0.019 0.000 1.902 257 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 257 A C 2.230 179.845 177.584 0.050 0.000 1.181 257 A CA 1.431 53.487 52.037 0.031 0.000 0.623 257 A CB -0.564 18.456 19.000 0.035 0.000 0.818 257 A HN 0.322 nan 8.150 nan 0.000 0.443 258 L N -0.349 120.904 121.223 0.050 0.000 2.023 258 L HA 0.069 4.409 4.340 -0.000 0.000 0.205 258 L C 2.629 179.515 176.870 0.028 0.000 1.073 258 L CA 2.271 57.153 54.840 0.070 0.000 0.745 258 L CB -1.013 41.074 42.059 0.046 0.000 0.900 258 L HN 0.318 nan 8.230 nan 0.000 0.435 259 A N -0.844 121.965 122.820 -0.019 0.000 1.903 259 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 259 A C 2.257 179.811 177.584 -0.050 0.000 1.191 259 A CA 2.816 54.813 52.037 -0.066 0.000 0.638 259 A CB -1.520 17.447 19.000 -0.057 0.000 0.823 259 A HN 0.597 nan 8.150 nan 0.000 0.451 260 T N 0.428 114.977 114.554 -0.008 0.000 2.652 260 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 260 T C 1.829 176.551 174.700 0.038 0.000 1.039 260 T CA 1.605 63.709 62.100 0.006 0.000 1.153 260 T CB -0.518 68.359 68.868 0.015 0.000 0.863 260 T HN 0.353 nan 8.240 nan 0.000 0.428 261 L N 0.719 121.999 121.223 0.096 0.000 1.990 261 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 261 L C 2.701 179.735 176.870 0.274 0.000 1.072 261 L CA 1.223 56.191 54.840 0.213 0.000 0.755 261 L CB -1.002 41.282 42.059 0.375 0.000 0.889 261 L HN 0.134 nan 8.230 nan 0.000 0.432 262 V N -0.767 119.206 119.914 0.099 0.000 2.214 262 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 262 V C 2.376 178.409 176.094 -0.101 0.000 1.051 262 V CA 2.060 64.276 62.300 -0.140 0.000 1.003 262 V CB -0.650 30.919 31.823 -0.422 0.000 0.635 262 V HN 0.220 nan 8.190 nan 0.000 0.447 263 V N 0.685 120.524 119.914 -0.124 0.000 2.231 263 V HA -0.343 3.777 4.120 -0.000 0.000 0.250 263 V C 2.318 178.401 176.094 -0.019 0.000 1.058 263 V CA 2.545 64.793 62.300 -0.087 0.000 1.022 263 V CB -1.049 30.731 31.823 -0.072 0.000 0.640 263 V HN 0.587 nan 8.190 nan 0.000 0.445 264 N N 0.098 118.804 118.700 0.010 0.000 2.104 264 N HA -0.236 4.504 4.740 -0.000 0.000 0.190 264 N C 1.916 177.456 175.510 0.048 0.000 1.024 264 N CA 1.827 54.893 53.050 0.026 0.000 0.853 264 N CB -0.294 38.210 38.487 0.029 0.000 1.008 264 N HN 0.447 nan 8.380 nan 0.000 0.424 265 K N 1.750 122.206 120.400 0.092 0.000 2.044 265 K HA -0.069 4.251 4.320 -0.000 0.000 0.210 265 K C 2.110 178.765 176.600 0.092 0.000 1.049 265 K CA 1.042 57.405 56.287 0.126 0.000 0.927 265 K CB -0.556 32.109 32.500 0.275 0.000 0.713 265 K HN 0.123 nan 8.250 nan 0.000 0.443 266 L N 0.182 121.449 121.223 0.073 0.000 1.970 266 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 266 L C 2.025 178.918 176.870 0.039 0.000 1.071 266 L CA 1.511 56.386 54.840 0.058 0.000 0.751 266 L CB -0.364 41.715 42.059 0.033 0.000 0.889 266 L HN 0.105 nan 8.230 nan 0.000 0.432 267 R N 0.771 121.285 120.500 0.023 0.000 2.858 267 R HA 0.043 4.383 4.340 -0.000 0.000 0.228 267 R C 1.091 177.403 176.300 0.020 0.000 1.471 267 R CA 0.496 56.606 56.100 0.017 0.000 1.342 267 R CB -0.766 29.538 30.300 0.007 0.000 1.152 267 R HN 0.518 nan 8.270 nan 0.000 0.521 268 G N 0.248 109.064 108.800 0.027 0.000 2.309 268 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.286 268 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.286 268 G C 0.888 175.801 174.900 0.021 0.000 1.002 268 G CA 1.183 46.298 45.100 0.025 0.000 0.786 268 G HN 0.392 nan 8.290 nan 0.000 0.511 269 T N -1.206 113.360 114.554 0.021 0.000 2.668 269 T HA 0.231 4.581 4.350 -0.000 0.000 0.262 269 T C 0.657 175.366 174.700 0.015 0.000 1.045 269 T CA 1.573 63.682 62.100 0.015 0.000 1.152 269 T CB 0.044 68.920 68.868 0.013 0.000 0.864 269 T HN 0.637 nan 8.240 nan 0.000 0.419 270 L N 0.546 121.782 121.223 0.022 0.000 2.545 270 L HA 0.440 4.780 4.340 -0.000 0.000 0.258 270 L C -1.005 175.880 176.870 0.024 0.000 0.942 270 L CA -0.730 54.121 54.840 0.018 0.000 0.855 270 L CB 1.958 44.020 42.059 0.007 0.000 1.374 270 L HN 0.075 nan 8.230 nan 0.000 0.411 271 S N 3.428 119.139 115.700 0.018 0.000 2.473 271 S HA 0.657 5.127 4.470 -0.000 0.000 0.312 271 S C -0.101 174.470 174.600 -0.047 0.000 1.087 271 S CA -0.187 58.017 58.200 0.008 0.000 1.077 271 S CB -0.022 63.187 63.200 0.015 0.000 1.065 271 S HN 0.868 nan 8.310 nan 0.000 0.510 272 V N -0.160 119.685 119.914 -0.115 0.000 3.177 272 V HA 1.061 5.181 4.120 -0.000 0.000 0.319 272 V C -0.048 175.556 176.094 -0.817 0.000 1.125 272 V CA -0.969 61.136 62.300 -0.326 0.000 1.029 272 V CB 1.049 32.698 31.823 -0.290 0.000 1.119 272 V HN 1.293 nan 8.190 nan 0.000 0.452 273 A N 0.499 122.711 122.820 -1.012 0.000 2.530 273 A HA 0.869 5.189 4.320 -0.000 0.000 0.297 273 A C -0.571 176.668 177.584 -0.575 0.000 1.059 273 A CA -0.007 51.292 52.037 -1.229 0.000 0.782 273 A CB 0.997 19.772 19.000 -0.374 0.000 1.301 273 A HN 2.332 nan 8.150 nan 0.000 0.394 274 A N 1.980 124.663 122.820 -0.229 0.000 2.267 274 A HA 0.669 4.989 4.320 -0.000 0.000 0.315 274 A C -0.652 177.087 177.584 0.258 0.000 1.297 274 A CA -0.426 51.698 52.037 0.144 0.000 0.865 274 A CB 0.601 19.781 19.000 0.299 0.000 1.165 274 A HN 1.397 nan 8.150 nan 0.000 0.513 275 V N 4.326 124.356 119.914 0.194 0.000 2.384 275 V HA 0.211 4.331 4.120 -0.000 0.000 0.287 275 V C 0.509 176.724 176.094 0.201 0.000 1.020 275 V CA -0.789 61.655 62.300 0.239 0.000 0.850 275 V CB 1.204 33.207 31.823 0.300 0.000 0.987 275 V HN 0.988 nan 8.190 nan 0.000 0.436 276 K N 2.494 123.002 120.400 0.180 0.000 2.256 276 K HA 0.278 4.598 4.320 -0.000 0.000 0.255 276 K C 0.714 177.356 176.600 0.069 0.000 1.012 276 K CA 0.243 56.601 56.287 0.119 0.000 0.841 276 K CB 0.223 32.788 32.500 0.108 0.000 1.025 276 K HN 0.845 nan 8.250 nan 0.000 0.527 277 A N 2.371 125.205 122.820 0.024 0.000 2.540 277 A HA 0.035 4.355 4.320 -0.000 0.000 0.239 277 A C -1.190 176.319 177.584 -0.125 0.000 1.061 277 A CA -0.947 51.059 52.037 -0.051 0.000 0.758 277 A CB -0.255 18.746 19.000 0.001 0.000 0.991 277 A HN 0.544 nan 8.150 nan 0.000 0.502 278 P HA -0.141 nan 4.420 nan 0.000 0.213 278 P C 1.130 178.355 177.300 -0.124 0.000 1.170 278 P CA 2.113 64.880 63.100 -0.555 0.000 0.902 278 P CB 0.074 31.301 31.700 -0.788 0.000 0.789 279 G N -1.302 107.465 108.800 -0.055 0.000 3.075 279 G HA2 0.473 4.433 3.960 -0.000 0.000 0.156 279 G HA3 0.473 4.433 3.960 -0.000 0.000 0.156 279 G C -1.264 173.743 174.900 0.178 0.000 1.403 279 G CA -0.234 44.903 45.100 0.061 0.000 1.033 279 G HN 0.245 nan 8.290 nan 0.000 0.589 280 F N -0.376 119.569 119.950 -0.007 0.000 2.622 280 F HA 0.549 5.076 4.527 -0.000 0.000 0.318 280 F C 0.358 176.164 175.800 0.011 0.000 1.135 280 F CA 0.308 58.312 58.000 0.007 0.000 1.015 280 F CB 1.137 40.151 39.000 0.023 0.000 1.275 280 F HN 1.608 nan 8.300 nan 0.000 0.457 281 G N 5.494 113.970 108.800 -0.541 0.000 2.593 281 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.237 281 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.237 281 G C 0.248 175.014 174.900 -0.224 0.000 1.312 281 G CA 0.000 44.779 45.100 -0.537 0.000 0.896 281 G HN 0.691 nan 8.290 nan 0.000 0.574 282 D N 0.080 120.373 120.400 -0.179 0.000 2.351 282 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 282 D C 2.265 178.520 176.300 -0.076 0.000 0.968 282 D CA 1.244 55.185 54.000 -0.099 0.000 0.899 282 D CB -0.021 40.732 40.800 -0.078 0.000 0.907 282 D HN 0.521 nan 8.370 nan 0.000 0.514 283 R N 1.683 122.129 120.500 -0.090 0.000 2.073 283 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 283 R C 2.400 178.680 176.300 -0.034 0.000 1.134 283 R CA 1.393 57.462 56.100 -0.051 0.000 0.952 283 R CB -0.046 30.230 30.300 -0.040 0.000 0.850 283 R HN 0.177 nan 8.270 nan 0.000 0.433 284 R N 0.392 120.872 120.500 -0.034 0.000 2.090 284 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 284 R C 1.865 178.139 176.300 -0.044 0.000 1.110 284 R CA 1.412 57.491 56.100 -0.034 0.000 0.973 284 R CB -0.400 29.888 30.300 -0.021 0.000 0.869 284 R HN 0.162 nan 8.270 nan 0.000 0.440 285 K N 0.500 120.875 120.400 -0.042 0.000 2.152 285 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 285 K C 1.858 178.440 176.600 -0.029 0.000 1.048 285 K CA 1.471 57.737 56.287 -0.035 0.000 0.933 285 K CB 0.044 32.523 32.500 -0.034 0.000 0.721 285 K HN 0.274 nan 8.250 nan 0.000 0.447 286 E N 0.160 120.344 120.200 -0.026 0.000 2.230 286 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 286 E C 1.873 178.469 176.600 -0.006 0.000 0.987 286 E CA 0.778 57.169 56.400 -0.015 0.000 0.841 286 E CB 0.086 29.778 29.700 -0.013 0.000 0.783 286 E HN 0.377 nan 8.360 nan 0.000 0.481 287 M N 0.138 119.732 119.600 -0.010 0.000 2.349 287 M HA 0.008 4.488 4.480 -0.000 0.000 0.266 287 M C 2.191 178.465 176.300 -0.043 0.000 1.076 287 M CA 0.681 55.987 55.300 0.011 0.000 1.126 287 M CB -0.091 32.518 32.600 0.015 0.000 1.392 287 M HN 0.040 nan 8.290 nan 0.000 0.440 288 L N 0.161 121.341 121.223 -0.071 0.000 2.131 288 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 288 L C 2.239 179.062 176.870 -0.079 0.000 1.092 288 L CA 1.272 56.053 54.840 -0.099 0.000 0.759 288 L CB -0.565 41.447 42.059 -0.078 0.000 0.903 288 L HN 0.286 nan 8.230 nan 0.000 0.435 289 K N -0.277 120.097 120.400 -0.044 0.000 2.288 289 K HA -0.113 4.207 4.320 -0.000 0.000 0.201 289 K C 1.375 177.961 176.600 -0.023 0.000 1.048 289 K CA 1.087 57.357 56.287 -0.028 0.000 0.956 289 K CB -0.060 32.434 32.500 -0.009 0.000 0.746 289 K HN 0.260 nan 8.250 nan 0.000 0.461 290 D N 1.219 121.613 120.400 -0.010 0.000 2.085 290 D HA -0.048 4.592 4.640 -0.000 0.000 0.199 290 D C 1.813 178.076 176.300 -0.061 0.000 0.981 290 D CA 0.886 54.908 54.000 0.036 0.000 0.834 290 D CB -0.116 40.779 40.800 0.159 0.000 0.992 290 D HN 0.031 nan 8.370 nan 0.000 0.457 291 I N 1.134 121.569 120.570 -0.225 0.000 2.194 291 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 291 I C 2.248 178.241 176.117 -0.207 0.000 1.093 291 I CA 0.991 62.039 61.300 -0.420 0.000 1.355 291 I CB -0.423 37.334 38.000 -0.405 0.000 1.046 291 I HN -0.028 nan 8.210 nan 0.000 0.413 292 A N 1.107 123.848 122.820 -0.131 0.000 1.904 292 A HA -0.195 4.125 4.320 -0.000 0.000 0.207 292 A C 2.578 180.126 177.584 -0.060 0.000 1.231 292 A CA 2.240 54.226 52.037 -0.085 0.000 0.655 292 A CB -1.417 17.545 19.000 -0.064 0.000 0.875 292 A HN 0.408 nan 8.150 nan 0.000 0.478 293 A N -0.932 121.867 122.820 -0.034 0.000 1.853 293 A HA -0.348 3.972 4.320 -0.000 0.000 0.255 293 A C 2.465 180.045 177.584 -0.007 0.000 2.273 293 A CA 4.505 56.536 52.037 -0.010 0.000 0.797 293 A CB -2.054 16.952 19.000 0.010 0.000 0.844 293 A HN 1.663 nan 8.150 nan 0.000 0.520 294 V N -2.292 117.619 119.914 -0.005 0.000 2.343 294 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 294 V C 2.398 178.485 176.094 -0.013 0.000 1.051 294 V CA 2.892 65.198 62.300 0.010 0.000 1.036 294 V CB -1.991 29.860 31.823 0.047 0.000 0.654 294 V HN 0.926 nan 8.190 nan 0.000 0.451 295 T N -2.685 111.843 114.554 -0.044 0.000 3.035 295 T HA 0.380 4.730 4.350 -0.000 0.000 0.259 295 T C 1.670 176.349 174.700 -0.035 0.000 1.078 295 T CA 0.973 63.046 62.100 -0.044 0.000 1.132 295 T CB 0.038 68.868 68.868 -0.062 0.000 0.900 295 T HN 1.838 nan 8.240 nan 0.000 0.480 296 G N 0.544 109.324 108.800 -0.033 0.000 2.207 296 G HA2 0.188 4.148 3.960 -0.000 0.000 0.216 296 G HA3 0.188 4.148 3.960 -0.000 0.000 0.216 296 G C 0.190 175.071 174.900 -0.031 0.000 1.053 296 G CA -0.282 44.803 45.100 -0.025 0.000 0.764 296 G HN 0.986 nan 8.290 nan 0.000 0.495 297 G N -1.581 107.190 108.800 -0.048 0.000 2.932 297 G HA2 0.788 4.748 3.960 -0.000 0.000 0.283 297 G HA3 0.788 4.748 3.960 -0.000 0.000 0.283 297 G C -0.569 174.269 174.900 -0.103 0.000 1.336 297 G CA 0.072 45.131 45.100 -0.069 0.000 1.056 297 G HN 0.558 nan 8.290 nan 0.000 0.522 298 T N 0.128 114.580 114.554 -0.169 0.000 2.829 298 T HA 0.416 4.766 4.350 -0.000 0.000 0.280 298 T C 0.021 174.604 174.700 -0.195 0.000 0.999 298 T CA -0.212 61.752 62.100 -0.228 0.000 0.983 298 T CB 1.488 70.057 68.868 -0.499 0.000 0.968 298 T HN 0.355 nan 8.240 nan 0.000 0.446 299 V N 5.469 125.317 119.914 -0.111 0.000 2.421 299 V HA 0.173 4.293 4.120 -0.000 0.000 0.271 299 V C 0.653 176.722 176.094 -0.041 0.000 1.031 299 V CA -0.094 62.170 62.300 -0.061 0.000 1.032 299 V CB -0.467 31.346 31.823 -0.017 0.000 1.009 299 V HN 0.765 nan 8.190 nan 0.000 0.477 300 I N 6.411 126.950 120.570 -0.052 0.000 2.293 300 I HA 0.226 4.396 4.170 -0.000 0.000 0.299 300 I C 0.578 176.722 176.117 0.046 0.000 1.153 300 I CA 0.641 61.941 61.300 0.001 0.000 1.302 300 I CB -0.265 37.721 38.000 -0.024 0.000 1.460 300 I HN 0.880 nan 8.210 nan 0.000 0.552 301 S N 2.377 118.133 115.700 0.092 0.000 2.625 301 S HA 0.325 4.795 4.470 -0.000 0.000 0.271 301 S C 0.400 175.051 174.600 0.085 0.000 1.161 301 S CA -0.999 57.242 58.200 0.068 0.000 0.820 301 S CB 1.553 64.777 63.200 0.041 0.000 1.137 301 S HN 0.511 nan 8.310 nan 0.000 0.470 302 E N 0.698 120.928 120.200 0.049 0.000 2.267 302 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 302 E C 1.287 177.903 176.600 0.028 0.000 0.998 302 E CA 1.373 57.792 56.400 0.032 0.000 0.830 302 E CB -0.135 29.575 29.700 0.016 0.000 0.751 302 E HN 0.679 nan 8.360 nan 0.000 0.491 303 E N 1.082 121.305 120.200 0.039 0.000 1.999 303 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 303 E C 2.130 178.761 176.600 0.051 0.000 0.995 303 E CA 0.732 57.153 56.400 0.035 0.000 0.825 303 E CB -0.196 29.525 29.700 0.035 0.000 0.777 303 E HN 0.199 nan 8.360 nan 0.000 0.459 304 L N 0.211 121.505 121.223 0.118 0.000 2.450 304 L HA -0.122 4.218 4.340 -0.000 0.000 0.225 304 L C 1.099 178.007 176.870 0.063 0.000 1.145 304 L CA 0.823 55.789 54.840 0.211 0.000 0.801 304 L CB -0.777 41.531 42.059 0.416 0.000 0.924 304 L HN 0.498 nan 8.230 nan 0.000 0.447 305 G N -0.380 108.403 108.800 -0.029 0.000 2.248 305 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.263 305 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.263 305 G C -0.262 174.336 174.900 -0.502 0.000 1.082 305 G CA -0.254 44.697 45.100 -0.247 0.000 0.863 305 G HN 0.214 nan 8.290 nan 0.000 0.495 306 F N -0.904 119.042 119.950 -0.006 0.000 2.611 306 F HA 0.815 5.342 4.527 -0.000 0.000 0.324 306 F C 0.363 176.159 175.800 -0.006 0.000 1.061 306 F CA -1.083 56.913 58.000 -0.007 0.000 0.954 306 F CB 2.249 41.245 39.000 -0.007 0.000 1.301 306 F HN 0.047 nan 8.300 nan 0.000 0.482 307 K N 1.283 121.807 120.400 0.208 0.000 2.482 307 K HA 0.413 4.733 4.320 -0.000 0.000 0.251 307 K C 0.219 176.876 176.600 0.094 0.000 0.936 307 K CA -0.674 55.678 56.287 0.108 0.000 0.791 307 K CB 1.838 34.373 32.500 0.059 0.000 1.213 307 K HN 0.526 nan 8.250 nan 0.000 0.428 308 L N 4.162 125.421 121.223 0.061 0.000 2.012 308 L HA -0.336 4.004 4.340 -0.000 0.000 0.236 308 L C 2.005 178.893 176.870 0.029 0.000 1.099 308 L CA 2.664 57.526 54.840 0.036 0.000 0.821 308 L CB -0.640 41.433 42.059 0.024 0.000 0.918 308 L HN 0.938 nan 8.230 nan 0.000 0.445 309 E N -1.166 119.049 120.200 0.025 0.000 2.147 309 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 309 E C 0.579 177.193 176.600 0.024 0.000 1.005 309 E CA 1.523 57.933 56.400 0.017 0.000 0.810 309 E CB -0.927 28.782 29.700 0.015 0.000 0.736 309 E HN 0.614 nan 8.360 nan 0.000 0.460 310 N N 1.797 120.523 118.700 0.045 0.000 3.243 310 N HA 0.209 4.949 4.740 -0.000 0.000 0.310 310 N C -0.381 175.179 175.510 0.083 0.000 1.313 310 N CA 0.489 53.577 53.050 0.064 0.000 1.204 310 N CB 0.544 39.081 38.487 0.082 0.000 1.483 310 N HN 0.278 nan 8.380 nan 0.000 0.553 311 A N 0.038 122.878 122.820 0.033 0.000 2.274 311 A HA 0.803 5.123 4.320 -0.000 0.000 0.297 311 A C 0.387 177.964 177.584 -0.012 0.000 1.191 311 A CA -0.085 51.951 52.037 -0.001 0.000 0.889 311 A CB 0.757 19.739 19.000 -0.030 0.000 1.294 311 A HN 0.227 nan 8.150 nan 0.000 0.506 312 T N -0.375 114.149 114.554 -0.050 0.000 2.957 312 T HA 0.307 4.657 4.350 -0.000 0.000 0.336 312 T C 0.509 175.154 174.700 -0.092 0.000 1.462 312 T CA -0.622 61.447 62.100 -0.053 0.000 1.073 312 T CB 0.942 69.798 68.868 -0.020 0.000 1.319 312 T HN 0.425 nan 8.240 nan 0.000 0.485 313 L N 0.788 121.941 121.223 -0.117 0.000 2.549 313 L HA 0.002 4.342 4.340 -0.000 0.000 0.229 313 L C 2.053 178.882 176.870 -0.069 0.000 1.158 313 L CA 0.841 55.568 54.840 -0.190 0.000 0.842 313 L CB -0.272 41.644 42.059 -0.239 0.000 0.952 313 L HN 0.597 nan 8.230 nan 0.000 0.452 314 S N -0.114 115.564 115.700 -0.036 0.000 2.483 314 S HA 0.088 4.558 4.470 -0.000 0.000 0.221 314 S C 1.528 176.118 174.600 -0.017 0.000 1.030 314 S CA 0.212 58.411 58.200 -0.000 0.000 0.925 314 S CB 0.207 63.411 63.200 0.007 0.000 0.795 314 S HN 0.462 nan 8.310 nan 0.000 0.511 315 M N 1.346 120.907 119.600 -0.065 0.000 2.551 315 M HA 0.390 4.870 4.480 -0.000 0.000 0.252 315 M C -0.701 175.511 176.300 -0.148 0.000 1.219 315 M CA -0.261 54.953 55.300 -0.142 0.000 0.978 315 M CB -0.553 31.873 32.600 -0.289 0.000 1.533 315 M HN 0.062 nan 8.290 nan 0.000 0.474 316 L N -1.783 119.406 121.223 -0.056 0.000 2.256 316 L HA 1.092 5.432 4.340 -0.000 0.000 0.261 316 L C 0.034 176.922 176.870 0.030 0.000 1.022 316 L CA -0.959 53.867 54.840 -0.023 0.000 0.828 316 L CB -0.086 41.982 42.059 0.016 0.000 1.374 316 L HN 0.031 nan 8.230 nan 0.000 0.436 317 G N -0.786 108.028 108.800 0.023 0.000 2.491 317 G HA2 0.814 4.774 3.960 -0.000 0.000 0.327 317 G HA3 0.814 4.774 3.960 -0.000 0.000 0.327 317 G C -0.722 174.178 174.900 -0.001 0.000 1.189 317 G CA -0.827 44.276 45.100 0.005 0.000 0.956 317 G HN 0.609 nan 8.290 nan 0.000 0.491 318 R N -1.352 119.104 120.500 -0.073 0.000 2.987 318 R HA 0.834 5.174 4.340 -0.000 0.000 0.248 318 R C -0.219 176.003 176.300 -0.130 0.000 1.264 318 R CA -0.358 55.633 56.100 -0.183 0.000 1.026 318 R CB 2.011 32.134 30.300 -0.295 0.000 1.286 318 R HN 0.790 nan 8.270 nan 0.000 0.483 319 A N 0.051 122.780 122.820 -0.153 0.000 3.136 319 A HA 0.437 4.757 4.320 -0.000 0.000 0.299 319 A C -0.810 176.713 177.584 -0.102 0.000 1.197 319 A CA -0.519 51.461 52.037 -0.097 0.000 0.640 319 A CB 0.942 19.900 19.000 -0.070 0.000 1.440 319 A HN 0.707 nan 8.150 nan 0.000 0.614 320 E N -0.857 119.301 120.200 -0.070 0.000 2.606 320 E HA 0.346 4.696 4.350 -0.000 0.000 0.224 320 E C -0.001 176.568 176.600 -0.052 0.000 0.930 320 E CA 0.084 56.447 56.400 -0.062 0.000 1.125 320 E CB 1.136 30.810 29.700 -0.043 0.000 1.123 320 E HN 0.423 nan 8.360 nan 0.000 0.522 321 R N -0.632 119.839 120.500 -0.048 0.000 3.012 321 R HA 0.318 4.658 4.340 -0.000 0.000 0.287 321 R C -2.149 174.133 176.300 -0.030 0.000 0.990 321 R CA -0.455 55.624 56.100 -0.036 0.000 0.839 321 R CB 1.605 31.890 30.300 -0.025 0.000 1.317 321 R HN -0.120 nan 8.270 nan 0.000 0.518 322 V N 2.688 122.588 119.914 -0.023 0.000 2.663 322 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 322 V C -0.961 175.126 176.094 -0.012 0.000 1.085 322 V CA -0.721 61.567 62.300 -0.021 0.000 0.916 322 V CB 1.702 33.513 31.823 -0.021 0.000 1.039 322 V HN 0.598 nan 8.190 nan 0.000 0.453 323 R N 5.344 125.832 120.500 -0.021 0.000 2.312 323 R HA 0.763 5.103 4.340 -0.000 0.000 0.311 323 R C -0.944 175.339 176.300 -0.028 0.000 1.004 323 R CA -0.459 55.634 56.100 -0.012 0.000 0.902 323 R CB 1.789 32.077 30.300 -0.019 0.000 1.073 323 R HN 0.603 nan 8.270 nan 0.000 0.457 324 I N 2.496 123.080 120.570 0.024 0.000 2.542 324 I HA 0.153 4.323 4.170 -0.000 0.000 0.278 324 I C -0.060 176.070 176.117 0.022 0.000 1.069 324 I CA -0.469 60.840 61.300 0.014 0.000 1.100 324 I CB 1.871 39.939 38.000 0.113 0.000 1.204 324 I HN 0.556 nan 8.210 nan 0.000 0.470 325 T N 2.839 117.322 114.554 -0.119 0.000 2.793 325 T HA 0.112 4.462 4.350 -0.000 0.000 0.299 325 T C 1.406 175.737 174.700 -0.615 0.000 1.038 325 T CA -0.567 61.417 62.100 -0.194 0.000 0.948 325 T CB 1.088 69.882 68.868 -0.123 0.000 1.231 325 T HN 0.464 nan 8.240 nan 0.000 0.538 326 K N 1.278 121.343 120.400 -0.558 0.000 2.152 326 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 326 K C 0.671 177.023 176.600 -0.412 0.000 1.048 326 K CA 1.761 57.660 56.287 -0.647 0.000 0.933 326 K CB -0.279 32.077 32.500 -0.240 0.000 0.721 326 K HN 0.789 nan 8.250 nan 0.000 0.447 327 D N -1.274 118.970 120.400 -0.261 0.000 2.712 327 D HA 0.093 4.733 4.640 -0.000 0.000 0.300 327 D C -0.557 175.671 176.300 -0.120 0.000 1.521 327 D CA -0.303 53.607 54.000 -0.150 0.000 0.790 327 D CB 0.158 40.904 40.800 -0.091 0.000 1.155 327 D HN 0.172 nan 8.370 nan 0.000 0.456 328 E N -0.150 119.948 120.200 -0.170 0.000 2.375 328 E HA 0.372 4.722 4.350 -0.000 0.000 0.280 328 E C -1.585 174.855 176.600 -0.267 0.000 0.972 328 E CA -0.351 55.938 56.400 -0.186 0.000 0.782 328 E CB 2.114 31.730 29.700 -0.141 0.000 1.229 328 E HN -0.088 nan 8.360 nan 0.000 0.439 329 T N 1.582 115.853 114.554 -0.471 0.000 2.887 329 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 329 T C -1.008 173.439 174.700 -0.422 0.000 1.021 329 T CA -0.530 61.258 62.100 -0.519 0.000 1.000 329 T CB 1.723 70.050 68.868 -0.901 0.000 1.034 329 T HN 0.358 nan 8.240 nan 0.000 0.467 330 T N 2.806 117.230 114.554 -0.217 0.000 3.133 330 T HA 0.340 4.690 4.350 -0.000 0.000 0.368 330 T C 0.317 174.998 174.700 -0.033 0.000 1.190 330 T CA -0.487 61.554 62.100 -0.099 0.000 1.282 330 T CB -0.214 68.615 68.868 -0.065 0.000 1.042 330 T HN 0.500 nan 8.240 nan 0.000 0.536 331 I N 3.080 123.661 120.570 0.018 0.000 2.593 331 I HA 0.056 4.226 4.170 -0.000 0.000 0.304 331 I C 0.449 176.592 176.117 0.044 0.000 1.176 331 I CA -0.109 61.212 61.300 0.035 0.000 1.533 331 I CB -0.200 37.834 38.000 0.055 0.000 1.492 331 I HN 0.246 nan 8.210 nan 0.000 0.704 332 V N 5.393 125.315 119.914 0.013 0.000 2.614 332 V HA 0.252 4.372 4.120 -0.000 0.000 0.291 332 V C 1.247 177.341 176.094 0.000 0.000 1.049 332 V CA -0.094 62.212 62.300 0.010 0.000 1.038 332 V CB 0.933 32.754 31.823 -0.004 0.000 0.980 332 V HN 1.023 nan 8.190 nan 0.000 0.481 333 G N 3.929 112.733 108.800 0.006 0.000 2.370 333 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.293 333 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.293 333 G C 0.543 175.435 174.900 -0.013 0.000 0.992 333 G CA 0.003 45.100 45.100 -0.005 0.000 1.247 333 G HN 1.412 nan 8.290 nan 0.000 0.505 334 G N -0.464 108.336 108.800 0.002 0.000 2.732 334 G HA2 0.426 4.386 3.960 -0.000 0.000 0.244 334 G HA3 0.426 4.386 3.960 -0.000 0.000 0.244 334 G C 0.872 175.761 174.900 -0.020 0.000 1.226 334 G CA -0.036 45.057 45.100 -0.011 0.000 0.860 334 G HN 0.331 nan 8.290 nan 0.000 0.583 335 K N 0.566 120.948 120.400 -0.030 0.000 2.360 335 K HA 0.128 4.448 4.320 -0.000 0.000 0.196 335 K C 1.657 178.248 176.600 -0.016 0.000 1.049 335 K CA 0.313 56.583 56.287 -0.028 0.000 1.049 335 K CB 0.219 32.693 32.500 -0.043 0.000 0.881 335 K HN 0.564 nan 8.250 nan 0.000 0.542 336 G N 2.139 110.930 108.800 -0.014 0.000 2.905 336 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.233 336 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.233 336 G C -0.194 174.706 174.900 0.000 0.000 1.243 336 G CA 0.003 45.099 45.100 -0.007 0.000 0.856 336 G HN 0.054 nan 8.290 nan 0.000 0.594 337 K N 0.188 120.590 120.400 0.003 0.000 2.164 337 K HA 0.348 4.668 4.320 -0.000 0.000 0.258 337 K C 1.372 177.977 176.600 0.010 0.000 0.951 337 K CA -0.809 55.482 56.287 0.006 0.000 0.844 337 K CB 1.288 33.791 32.500 0.005 0.000 1.099 337 K HN 0.284 nan 8.250 nan 0.000 0.435 338 K N 1.952 122.357 120.400 0.010 0.000 1.989 338 K HA -0.335 3.985 4.320 -0.000 0.000 0.230 338 K C 1.193 177.801 176.600 0.013 0.000 0.947 338 K CA 2.619 58.913 56.287 0.012 0.000 1.009 338 K CB -0.469 32.036 32.500 0.009 0.000 0.725 338 K HN 0.816 nan 8.250 nan 0.000 0.511 339 E N 0.433 120.639 120.200 0.011 0.000 2.108 339 E HA -0.246 4.104 4.350 -0.000 0.000 0.203 339 E C 1.941 178.549 176.600 0.013 0.000 1.022 339 E CA 1.550 57.956 56.400 0.011 0.000 0.823 339 E CB -0.244 29.462 29.700 0.010 0.000 0.744 339 E HN 0.390 nan 8.360 nan 0.000 0.456 340 D N 0.416 120.824 120.400 0.013 0.000 2.182 340 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 340 D C 1.853 178.163 176.300 0.017 0.000 0.986 340 D CA 1.012 55.020 54.000 0.013 0.000 0.847 340 D CB 0.115 40.921 40.800 0.010 0.000 0.942 340 D HN 0.237 nan 8.370 nan 0.000 0.467 341 I N 0.112 120.694 120.570 0.021 0.000 2.628 341 I HA -0.039 4.131 4.170 -0.000 0.000 0.255 341 I C 2.155 178.287 176.117 0.026 0.000 1.119 341 I CA 0.119 61.437 61.300 0.030 0.000 1.448 341 I CB -0.285 37.737 38.000 0.037 0.000 1.133 341 I HN -0.150 nan 8.210 nan 0.000 0.438 342 E N 1.953 122.165 120.200 0.020 0.000 2.533 342 E HA -0.131 4.219 4.350 -0.000 0.000 0.203 342 E C 1.237 177.846 176.600 0.014 0.000 1.101 342 E CA 0.831 57.241 56.400 0.016 0.000 0.894 342 E CB 0.249 29.957 29.700 0.013 0.000 0.843 342 E HN 0.540 nan 8.360 nan 0.000 0.552 343 A N -0.235 122.595 122.820 0.016 0.000 2.425 343 A HA 0.156 4.476 4.320 -0.000 0.000 0.201 343 A C 1.807 179.400 177.584 0.015 0.000 1.431 343 A CA -0.169 51.876 52.037 0.013 0.000 1.066 343 A CB 0.237 19.244 19.000 0.012 0.000 1.318 343 A HN 0.035 nan 8.150 nan 0.000 0.534 344 R N 0.203 120.715 120.500 0.020 0.000 2.161 344 R HA 0.283 4.623 4.340 -0.000 0.000 0.213 344 R C 1.460 177.775 176.300 0.025 0.000 1.055 344 R CA 1.479 57.593 56.100 0.023 0.000 0.996 344 R CB -0.402 29.916 30.300 0.031 0.000 0.901 344 R HN 0.530 nan 8.270 nan 0.000 0.456 345 I N -0.181 120.404 120.570 0.024 0.000 3.035 345 I HA -0.034 4.136 4.170 -0.000 0.000 0.271 345 I C 1.333 177.457 176.117 0.011 0.000 1.190 345 I CA 0.461 61.773 61.300 0.020 0.000 1.472 345 I CB -0.009 38.004 38.000 0.022 0.000 1.116 345 I HN 0.167 nan 8.210 nan 0.000 0.443 346 N N 1.135 119.842 118.700 0.011 0.000 2.457 346 N HA -0.041 4.699 4.740 -0.000 0.000 0.180 346 N C 1.600 177.114 175.510 0.006 0.000 1.050 346 N CA 1.326 54.381 53.050 0.008 0.000 0.906 346 N CB 0.152 38.645 38.487 0.008 0.000 0.968 346 N HN 0.458 nan 8.380 nan 0.000 0.445 347 G N -0.316 108.488 108.800 0.007 0.000 2.796 347 G HA2 0.052 4.012 3.960 -0.000 0.000 0.210 347 G HA3 0.052 4.012 3.960 -0.000 0.000 0.210 347 G C 1.312 176.214 174.900 0.003 0.000 1.146 347 G CA -0.218 44.886 45.100 0.006 0.000 0.779 347 G HN 0.346 nan 8.290 nan 0.000 0.535 348 I N -0.519 120.053 120.570 0.003 0.000 3.793 348 I HA 0.295 4.465 4.170 -0.000 0.000 0.315 348 I C 2.040 178.154 176.117 -0.005 0.000 1.275 348 I CA 0.363 61.662 61.300 -0.001 0.000 1.214 348 I CB 0.184 38.184 38.000 0.000 0.000 1.018 348 I HN 0.085 nan 8.210 nan 0.000 0.439 349 K N 0.175 120.573 120.400 -0.002 0.000 2.365 349 K HA 0.042 4.362 4.320 -0.000 0.000 0.195 349 K C 1.802 178.401 176.600 -0.002 0.000 1.079 349 K CA -0.024 56.261 56.287 -0.004 0.000 0.979 349 K CB 0.385 32.884 32.500 -0.002 0.000 0.929 349 K HN -0.020 nan 8.250 nan 0.000 0.523 350 K N 1.055 121.455 120.400 -0.000 0.000 2.217 350 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 350 K C 1.505 178.106 176.600 0.000 0.000 1.051 350 K CA 1.044 57.331 56.287 0.001 0.000 0.952 350 K CB 0.231 32.732 32.500 0.002 0.000 0.736 350 K HN 0.295 nan 8.250 nan 0.000 0.453 351 E N 0.608 120.808 120.200 -0.001 0.000 2.122 351 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 351 E C 2.017 178.616 176.600 -0.002 0.000 0.977 351 E CA 0.138 56.537 56.400 -0.001 0.000 0.820 351 E CB 0.113 29.811 29.700 -0.003 0.000 0.770 351 E HN 0.131 nan 8.360 nan 0.000 0.462 352 L N 1.254 122.475 121.223 -0.004 0.000 2.127 352 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 352 L C 1.978 178.848 176.870 -0.001 0.000 1.089 352 L CA 1.338 56.175 54.840 -0.005 0.000 0.757 352 L CB -0.391 41.663 42.059 -0.008 0.000 0.899 352 L HN 0.204 nan 8.230 nan 0.000 0.434 353 E N -1.094 119.107 120.200 0.000 0.000 2.265 353 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 353 E C 1.176 177.779 176.600 0.004 0.000 0.996 353 E CA 1.377 57.778 56.400 0.002 0.000 0.832 353 E CB -0.120 29.582 29.700 0.002 0.000 0.756 353 E HN 0.420 nan 8.360 nan 0.000 0.491 354 T N 0.246 114.803 114.554 0.004 0.000 3.129 354 T HA 0.080 4.430 4.350 -0.000 0.000 0.267 354 T C -0.001 174.704 174.700 0.009 0.000 1.018 354 T CA -0.045 62.058 62.100 0.006 0.000 0.903 354 T CB 0.619 69.490 68.868 0.005 0.000 1.067 354 T HN -0.060 nan 8.240 nan 0.000 0.549 355 T N 2.650 117.209 114.554 0.009 0.000 2.874 355 T HA 0.238 4.588 4.350 -0.000 0.000 0.321 355 T C -0.013 174.696 174.700 0.016 0.000 1.075 355 T CA -0.619 61.489 62.100 0.013 0.000 0.966 355 T CB 1.058 69.931 68.868 0.008 0.000 1.001 355 T HN 0.049 nan 8.240 nan 0.000 0.476 356 D N 1.362 121.775 120.400 0.021 0.000 2.349 356 D HA 0.067 4.707 4.640 -0.000 0.000 0.214 356 D C 0.371 176.691 176.300 0.034 0.000 1.063 356 D CA 0.104 54.118 54.000 0.024 0.000 0.847 356 D CB 0.561 41.373 40.800 0.021 0.000 0.933 356 D HN 0.343 nan 8.370 nan 0.000 0.513 357 S N 1.275 117.001 115.700 0.043 0.000 2.455 357 S HA 0.049 4.519 4.470 -0.000 0.000 0.278 357 S C 1.310 175.958 174.600 0.080 0.000 1.216 357 S CA -0.269 57.971 58.200 0.066 0.000 1.055 357 S CB 1.495 64.747 63.200 0.086 0.000 0.939 357 S HN 0.119 nan 8.310 nan 0.000 0.494 358 E N 1.425 121.675 120.200 0.084 0.000 2.273 358 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 358 E C 0.896 177.573 176.600 0.128 0.000 1.002 358 E CA 1.271 57.723 56.400 0.087 0.000 0.828 358 E CB -0.094 29.655 29.700 0.083 0.000 0.747 358 E HN 0.793 nan 8.360 nan 0.000 0.491 359 Y N 0.610 120.916 120.300 0.010 0.000 2.177 359 Y HA -0.000 4.550 4.550 -0.000 0.000 0.291 359 Y C 2.248 178.154 175.900 0.009 0.000 1.117 359 Y CA 1.242 59.349 58.100 0.011 0.000 1.114 359 Y CB -0.509 37.959 38.460 0.012 0.000 1.017 359 Y HN -0.054 nan 8.280 nan 0.000 0.505 360 A N -0.052 122.812 122.820 0.073 0.000 2.178 360 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 360 A C 2.119 179.676 177.584 -0.045 0.000 1.157 360 A CA 1.571 53.594 52.037 -0.022 0.000 0.689 360 A CB -0.676 18.351 19.000 0.044 0.000 0.787 360 A HN 0.462 nan 8.150 nan 0.000 0.465 361 R N 0.319 120.807 120.500 -0.021 0.000 2.062 361 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 361 R C 1.757 178.029 176.300 -0.047 0.000 1.125 361 R CA 1.908 57.996 56.100 -0.020 0.000 0.966 361 R CB -0.325 29.979 30.300 0.005 0.000 0.861 361 R HN 0.620 nan 8.270 nan 0.000 0.433 362 E N -0.172 119.987 120.200 -0.069 0.000 2.299 362 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 362 E C 1.561 178.087 176.600 -0.124 0.000 0.998 362 E CA 0.423 56.773 56.400 -0.083 0.000 0.851 362 E CB 0.194 29.852 29.700 -0.070 0.000 0.795 362 E HN 0.111 nan 8.360 nan 0.000 0.492 363 K N 0.780 121.067 120.400 -0.188 0.000 2.097 363 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 363 K C 2.072 178.603 176.600 -0.115 0.000 1.050 363 K CA 0.793 56.960 56.287 -0.200 0.000 0.938 363 K CB -0.127 32.193 32.500 -0.301 0.000 0.718 363 K HN 0.215 nan 8.250 nan 0.000 0.442 364 L N 0.641 121.812 121.223 -0.088 0.000 2.313 364 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 364 L C 2.146 178.987 176.870 -0.049 0.000 1.119 364 L CA 0.690 55.497 54.840 -0.055 0.000 0.809 364 L CB -0.241 41.794 42.059 -0.040 0.000 0.933 364 L HN 0.153 nan 8.230 nan 0.000 0.449 365 Q N 0.139 119.905 119.800 -0.057 0.000 2.354 365 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 365 Q C 1.885 177.848 176.000 -0.062 0.000 0.933 365 Q CA 0.853 56.625 55.803 -0.051 0.000 0.901 365 Q CB 0.271 28.981 28.738 -0.046 0.000 1.007 365 Q HN 0.609 nan 8.270 nan 0.000 0.495 366 E N 0.432 120.589 120.200 -0.072 0.000 2.318 366 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 366 E C 1.853 178.399 176.600 -0.090 0.000 0.998 366 E CA 0.160 56.511 56.400 -0.080 0.000 0.859 366 E CB 0.036 29.689 29.700 -0.079 0.000 0.812 366 E HN 0.102 nan 8.360 nan 0.000 0.492 367 R N 0.558 121.015 120.500 -0.072 0.000 2.093 367 R HA 0.123 4.463 4.340 -0.000 0.000 0.224 367 R C 2.329 178.594 176.300 -0.058 0.000 1.101 367 R CA 0.441 56.505 56.100 -0.060 0.000 0.979 367 R CB -0.043 30.241 30.300 -0.028 0.000 0.877 367 R HN 0.224 nan 8.270 nan 0.000 0.441 368 L N 0.224 121.418 121.223 -0.048 0.000 2.362 368 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 368 L C 2.098 178.937 176.870 -0.052 0.000 1.134 368 L CA 0.729 55.548 54.840 -0.036 0.000 0.807 368 L CB -0.120 41.921 42.059 -0.030 0.000 0.927 368 L HN 0.286 nan 8.230 nan 0.000 0.447 369 A N 0.097 122.868 122.820 -0.081 0.000 1.832 369 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 369 A C 2.145 179.647 177.584 -0.136 0.000 1.242 369 A CA 1.117 53.097 52.037 -0.094 0.000 0.603 369 A CB -0.361 18.579 19.000 -0.101 0.000 0.902 369 A HN 0.223 nan 8.150 nan 0.000 0.455 370 K N -0.023 120.232 120.400 -0.241 0.000 2.097 370 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 370 K C 0.719 177.140 176.600 -0.299 0.000 1.052 370 K CA 1.427 57.435 56.287 -0.464 0.000 0.932 370 K CB -0.746 31.157 32.500 -0.995 0.000 0.716 370 K HN 0.433 nan 8.250 nan 0.000 0.455 371 L N 1.234 122.374 121.223 -0.139 0.000 3.053 371 L HA 0.043 4.383 4.340 -0.000 0.000 0.244 371 L C 0.001 176.885 176.870 0.024 0.000 1.430 371 L CA -0.458 54.407 54.840 0.041 0.000 1.143 371 L CB -0.935 41.161 42.059 0.061 0.000 1.539 371 L HN 0.205 nan 8.230 nan 0.000 0.442 372 A N -1.047 121.780 122.820 0.010 0.000 2.590 372 A HA 0.545 4.865 4.320 -0.000 0.000 0.296 372 A C 0.499 178.093 177.584 0.018 0.000 1.050 372 A CA -0.040 52.006 52.037 0.014 0.000 0.697 372 A CB 0.516 19.514 19.000 -0.003 0.000 1.277 372 A HN 0.275 nan 8.150 nan 0.000 0.411 373 G N 0.598 109.416 108.800 0.029 0.000 2.441 373 G HA2 0.367 4.327 3.960 -0.000 0.000 0.212 373 G HA3 0.367 4.327 3.960 -0.000 0.000 0.212 373 G C 0.949 175.873 174.900 0.040 0.000 1.164 373 G CA 0.836 45.956 45.100 0.033 0.000 0.811 373 G HN 1.744 nan 8.290 nan 0.000 0.535 374 G N 0.395 109.220 108.800 0.041 0.000 2.716 374 G HA2 0.420 4.380 3.960 -0.000 0.000 0.296 374 G HA3 0.420 4.380 3.960 -0.000 0.000 0.296 374 G C -1.128 173.803 174.900 0.053 0.000 0.811 374 G CA -0.099 45.041 45.100 0.067 0.000 1.758 374 G HN 0.188 nan 8.290 nan 0.000 0.512 375 V N 1.880 121.829 119.914 0.059 0.000 2.482 375 V HA 0.673 4.793 4.120 -0.000 0.000 0.295 375 V C 0.294 176.366 176.094 -0.038 0.000 1.026 375 V CA -0.768 61.530 62.300 -0.003 0.000 0.856 375 V CB 1.311 33.114 31.823 -0.033 0.000 1.001 375 V HN 0.893 nan 8.190 nan 0.000 0.424 376 A N 4.809 127.538 122.820 -0.151 0.000 2.306 376 A HA 0.945 5.265 4.320 -0.000 0.000 0.330 376 A C -0.876 176.519 177.584 -0.314 0.000 1.146 376 A CA -0.586 51.199 52.037 -0.420 0.000 0.827 376 A CB 1.741 20.395 19.000 -0.576 0.000 1.178 376 A HN 0.744 nan 8.150 nan 0.000 0.490 377 V N 2.666 122.364 119.914 -0.360 0.000 2.610 377 V HA 0.267 4.386 4.120 -0.000 0.000 0.298 377 V C -0.833 175.095 176.094 -0.275 0.000 1.067 377 V CA -0.080 62.068 62.300 -0.255 0.000 0.894 377 V CB 1.531 33.247 31.823 -0.179 0.000 1.015 377 V HN 0.753 nan 8.190 nan 0.000 0.432 378 I N 5.105 125.499 120.570 -0.293 0.000 2.304 378 I HA 0.484 4.654 4.170 -0.000 0.000 0.291 378 I C 0.388 176.303 176.117 -0.337 0.000 1.018 378 I CA -0.378 60.706 61.300 -0.360 0.000 1.260 378 I CB 0.917 38.591 38.000 -0.544 0.000 1.390 378 I HN 0.422 nan 8.210 nan 0.000 0.475 379 R N 5.806 126.149 120.500 -0.261 0.000 2.247 379 R HA 0.406 4.746 4.340 -0.000 0.000 0.329 379 R C -0.831 175.351 176.300 -0.196 0.000 1.014 379 R CA -0.691 55.292 56.100 -0.195 0.000 0.907 379 R CB 1.339 31.565 30.300 -0.124 0.000 1.146 379 R HN 0.389 nan 8.270 nan 0.000 0.499 380 V N 2.609 122.388 119.914 -0.225 0.000 2.529 380 V HA 0.209 4.329 4.120 -0.000 0.000 0.292 380 V C 1.054 177.128 176.094 -0.034 0.000 1.028 380 V CA -0.105 62.111 62.300 -0.140 0.000 1.074 380 V CB 1.093 32.862 31.823 -0.090 0.000 0.958 380 V HN 0.868 nan 8.190 nan 0.000 0.481 381 G N 2.790 111.596 108.800 0.010 0.000 2.432 381 G HA2 0.854 4.814 3.960 -0.000 0.000 0.331 381 G HA3 0.854 4.814 3.960 -0.000 0.000 0.331 381 G C -0.738 174.187 174.900 0.041 0.000 1.170 381 G CA -0.096 45.015 45.100 0.018 0.000 0.943 381 G HN 1.258 nan 8.290 nan 0.000 0.483 382 A N -0.622 122.217 122.820 0.030 0.000 2.597 382 A HA 0.754 5.074 4.320 -0.000 0.000 0.292 382 A C 0.521 178.118 177.584 0.022 0.000 1.057 382 A CA 0.337 52.393 52.037 0.033 0.000 0.674 382 A CB 0.730 19.754 19.000 0.040 0.000 1.278 382 A HN 1.883 nan 8.150 nan 0.000 0.416 383 A N -0.113 122.719 122.820 0.020 0.000 2.072 383 A HA 0.465 4.785 4.320 -0.000 0.000 0.216 383 A C 1.120 178.713 177.584 0.014 0.000 1.156 383 A CA 2.020 54.065 52.037 0.014 0.000 0.701 383 A CB -0.418 18.589 19.000 0.013 0.000 0.816 383 A HN 2.019 nan 8.150 nan 0.000 0.458 384 T N -4.627 109.937 114.554 0.016 0.000 2.906 384 T HA 0.511 4.861 4.350 -0.000 0.000 0.295 384 T C 0.352 175.063 174.700 0.018 0.000 1.075 384 T CA -0.088 62.022 62.100 0.015 0.000 1.005 384 T CB 1.820 70.697 68.868 0.014 0.000 1.136 384 T HN -0.018 nan 8.240 nan 0.000 0.498 385 E N 1.207 121.417 120.200 0.017 0.000 2.038 385 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 385 E C 2.042 178.655 176.600 0.022 0.000 1.000 385 E CA 2.345 58.757 56.400 0.019 0.000 0.803 385 E CB -0.994 28.717 29.700 0.017 0.000 0.750 385 E HN 0.782 nan 8.360 nan 0.000 0.448 386 T N 0.478 115.043 114.554 0.019 0.000 2.684 386 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 386 T C 1.765 176.478 174.700 0.021 0.000 1.036 386 T CA 1.642 63.753 62.100 0.018 0.000 1.148 386 T CB -0.362 68.513 68.868 0.013 0.000 0.863 386 T HN 0.370 nan 8.240 nan 0.000 0.436 387 E N 0.406 120.620 120.200 0.022 0.000 2.051 387 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 387 E C 2.196 178.821 176.600 0.041 0.000 0.991 387 E CA 0.865 57.282 56.400 0.027 0.000 0.799 387 E CB -0.227 29.488 29.700 0.025 0.000 0.748 387 E HN 0.291 nan 8.360 nan 0.000 0.449 388 L N 1.940 123.189 121.223 0.042 0.000 1.971 388 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 388 L C 2.420 179.331 176.870 0.069 0.000 1.072 388 L CA 2.413 57.286 54.840 0.055 0.000 0.758 388 L CB -0.689 41.393 42.059 0.039 0.000 0.889 388 L HN 0.065 nan 8.230 nan 0.000 0.433 389 K N -1.043 119.390 120.400 0.055 0.000 2.144 389 K HA -0.313 4.007 4.320 -0.000 0.000 0.209 389 K C 2.110 178.765 176.600 0.091 0.000 1.047 389 K CA 2.103 58.428 56.287 0.063 0.000 0.927 389 K CB -0.153 32.371 32.500 0.039 0.000 0.716 389 K HN 0.491 nan 8.250 nan 0.000 0.454 390 E N 0.803 121.048 120.200 0.075 0.000 2.051 390 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 390 E C 1.823 178.498 176.600 0.125 0.000 0.979 390 E CA 1.387 57.840 56.400 0.089 0.000 0.803 390 E CB -0.025 29.700 29.700 0.041 0.000 0.761 390 E HN 0.244 nan 8.360 nan 0.000 0.451 391 K N 0.559 121.022 120.400 0.105 0.000 2.063 391 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 391 K C 2.193 178.935 176.600 0.236 0.000 1.048 391 K CA 1.780 58.140 56.287 0.122 0.000 0.928 391 K CB -0.142 32.436 32.500 0.130 0.000 0.713 391 K HN 0.012 nan 8.250 nan 0.000 0.442 392 K N -0.379 120.158 120.400 0.227 0.000 2.009 392 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 392 K C 2.179 178.916 176.600 0.228 0.000 1.049 392 K CA 2.070 58.500 56.287 0.238 0.000 0.929 392 K CB -0.292 32.285 32.500 0.128 0.000 0.714 392 K HN 0.272 nan 8.250 nan 0.000 0.440 393 H N 0.461 119.591 119.070 0.100 0.000 2.319 393 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 393 H C 1.995 177.359 175.328 0.059 0.000 1.092 393 H CA 2.150 58.238 56.048 0.067 0.000 1.302 393 H CB 0.132 29.915 29.762 0.036 0.000 1.373 393 H HN 0.161 nan 8.280 nan 0.000 0.497 394 R N -0.951 119.587 120.500 0.063 0.000 2.103 394 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 394 R C 2.269 178.490 176.300 -0.133 0.000 1.142 394 R CA 1.691 57.750 56.100 -0.068 0.000 0.960 394 R CB -0.479 29.754 30.300 -0.111 0.000 0.858 394 R HN 0.341 nan 8.270 nan 0.000 0.439 395 F N 1.200 121.106 119.950 -0.073 0.000 2.095 395 F HA -0.204 4.323 4.527 0.000 0.000 0.298 395 F C 2.391 178.123 175.800 -0.113 0.000 1.104 395 F CA 1.541 59.495 58.000 -0.077 0.000 1.232 395 F CB -0.128 38.836 39.000 -0.061 0.000 0.987 395 F HN 0.085 nan 8.300 nan 0.000 0.475 396 E N -0.097 120.130 120.200 0.045 0.000 2.085 396 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 396 E C 1.718 178.238 176.600 -0.134 0.000 0.994 396 E CA 1.464 57.819 56.400 -0.075 0.000 0.801 396 E CB -0.305 29.302 29.700 -0.155 0.000 0.743 396 E HN 0.401 nan 8.360 nan 0.000 0.453 397 D N 0.708 120.972 120.400 -0.226 0.000 2.097 397 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 397 D C 2.006 178.255 176.300 -0.085 0.000 0.989 397 D CA 1.363 55.265 54.000 -0.164 0.000 0.827 397 D CB -0.391 40.316 40.800 -0.155 0.000 0.966 397 D HN 0.160 nan 8.370 nan 0.000 0.456 398 A N 0.926 123.699 122.820 -0.078 0.000 1.903 398 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 398 A C 2.431 180.001 177.584 -0.023 0.000 1.191 398 A CA 1.268 53.273 52.037 -0.053 0.000 0.638 398 A CB -0.915 18.045 19.000 -0.066 0.000 0.823 398 A HN 0.226 nan 8.150 nan 0.000 0.451 399 L N -0.448 120.771 121.223 -0.006 0.000 1.976 399 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 399 L C 2.421 179.281 176.870 -0.017 0.000 1.071 399 L CA 1.539 56.377 54.840 -0.003 0.000 0.746 399 L CB -0.840 41.219 42.059 -0.000 0.000 0.890 399 L HN 0.417 nan 8.230 nan 0.000 0.432 400 N N 0.287 118.971 118.700 -0.028 0.000 2.132 400 N HA -0.243 4.497 4.740 -0.000 0.000 0.191 400 N C 1.738 177.236 175.510 -0.020 0.000 1.015 400 N CA 1.739 54.774 53.050 -0.025 0.000 0.864 400 N CB -0.311 38.157 38.487 -0.032 0.000 1.006 400 N HN 0.414 nan 8.380 nan 0.000 0.430 401 A N 0.867 123.672 122.820 -0.023 0.000 1.841 401 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 401 A C 2.445 180.021 177.584 -0.015 0.000 1.195 401 A CA 2.056 54.081 52.037 -0.020 0.000 0.611 401 A CB -1.170 17.814 19.000 -0.027 0.000 0.835 401 A HN 0.310 nan 8.150 nan 0.000 0.443 402 T N 0.186 114.732 114.554 -0.013 0.000 2.665 402 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 402 T C 2.099 176.796 174.700 -0.006 0.000 1.035 402 T CA 1.570 63.665 62.100 -0.008 0.000 1.151 402 T CB -0.313 68.554 68.868 -0.003 0.000 0.862 402 T HN 0.337 nan 8.240 nan 0.000 0.438 403 R N 1.450 121.945 120.500 -0.007 0.000 2.097 403 R HA 0.016 4.356 4.340 -0.000 0.000 0.236 403 R C 2.820 179.117 176.300 -0.005 0.000 1.135 403 R CA 1.737 57.833 56.100 -0.006 0.000 0.934 403 R CB -1.424 28.871 30.300 -0.008 0.000 0.846 403 R HN 0.495 nan 8.270 nan 0.000 0.431 404 A N 1.078 123.894 122.820 -0.006 0.000 1.972 404 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 404 A C 2.402 179.983 177.584 -0.004 0.000 1.169 404 A CA 1.857 53.891 52.037 -0.005 0.000 0.635 404 A CB -0.562 18.435 19.000 -0.006 0.000 0.810 404 A HN 0.386 nan 8.150 nan 0.000 0.446 405 A N -0.407 122.409 122.820 -0.006 0.000 1.877 405 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 405 A C 2.222 179.805 177.584 -0.002 0.000 1.186 405 A CA 1.915 53.949 52.037 -0.005 0.000 0.620 405 A CB -1.028 17.968 19.000 -0.006 0.000 0.822 405 A HN 0.438 nan 8.150 nan 0.000 0.443 406 V N 0.170 120.083 119.914 -0.001 0.000 2.343 406 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 406 V C 2.380 178.475 176.094 0.001 0.000 1.051 406 V CA 2.276 64.576 62.300 0.000 0.000 1.036 406 V CB -0.967 30.857 31.823 0.001 0.000 0.654 406 V HN 0.624 nan 8.190 nan 0.000 0.451 407 E N 0.263 120.463 120.200 -0.000 0.000 2.001 407 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 407 E C 1.974 178.574 176.600 0.001 0.000 1.002 407 E CA 1.632 58.032 56.400 0.000 0.000 0.819 407 E CB -0.148 29.552 29.700 -0.000 0.000 0.769 407 E HN 0.657 nan 8.360 nan 0.000 0.454 408 E N -0.190 120.010 120.200 0.000 0.000 2.481 408 E HA 0.207 4.557 4.350 -0.000 0.000 0.198 408 E C 0.436 177.036 176.600 0.001 0.000 1.027 408 E CA 0.159 56.559 56.400 0.001 0.000 0.900 408 E CB 1.228 30.928 29.700 0.001 0.000 0.993 408 E HN 0.294 nan 8.360 nan 0.000 0.482 409 G N 1.389 110.189 108.800 0.000 0.000 2.409 409 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.421 409 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.421 409 G C -1.189 173.710 174.900 -0.002 0.000 1.259 409 G CA -0.768 44.332 45.100 0.000 0.000 1.011 409 G HN 0.103 nan 8.290 nan 0.000 0.497 410 I N 0.404 120.973 120.570 -0.002 0.000 2.686 410 I HA 0.646 4.816 4.170 -0.000 0.000 0.295 410 I C 0.223 176.338 176.117 -0.003 0.000 1.114 410 I CA -1.107 60.191 61.300 -0.004 0.000 1.038 410 I CB 2.011 40.008 38.000 -0.004 0.000 1.238 410 I HN 1.026 nan 8.210 nan 0.000 0.420 411 V N 4.038 123.949 119.914 -0.005 0.000 3.141 411 V HA 0.722 4.842 4.120 -0.000 0.000 0.312 411 V C -2.752 173.338 176.094 -0.007 0.000 1.157 411 V CA -2.203 60.095 62.300 -0.003 0.000 1.041 411 V CB 1.542 33.364 31.823 -0.001 0.000 1.071 411 V HN 0.535 nan 8.190 nan 0.000 0.441 412 P HA 0.254 nan 4.420 nan 0.000 0.271 412 P C 0.226 177.513 177.300 -0.023 0.000 1.216 412 P CA 0.636 63.728 63.100 -0.012 0.000 0.771 412 P CB 1.114 32.814 31.700 -0.001 0.000 0.864 413 G N 1.528 110.306 108.800 -0.038 0.000 2.582 413 G HA2 0.392 4.352 3.960 -0.000 0.000 0.232 413 G HA3 0.392 4.352 3.960 -0.000 0.000 0.232 413 G C 0.814 175.680 174.900 -0.057 0.000 1.458 413 G CA -0.212 44.860 45.100 -0.046 0.000 1.062 413 G HN 0.721 nan 8.290 nan 0.000 0.566 414 G N -1.676 107.083 108.800 -0.067 0.000 2.296 414 G HA2 0.183 4.143 3.960 -0.000 0.000 0.282 414 G HA3 0.183 4.143 3.960 -0.000 0.000 0.282 414 G C 1.577 176.450 174.900 -0.045 0.000 1.014 414 G CA 1.368 46.424 45.100 -0.073 0.000 0.812 414 G HN 2.417 nan 8.290 nan 0.000 0.508 415 G N -2.693 106.089 108.800 -0.031 0.000 2.189 415 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 415 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 415 G C 1.507 176.400 174.900 -0.011 0.000 0.975 415 G CA 1.294 46.385 45.100 -0.016 0.000 0.644 415 G HN 1.461 nan 8.290 nan 0.000 0.537 416 V N 0.500 120.402 119.914 -0.020 0.000 2.282 416 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 416 V C 2.925 179.023 176.094 0.007 0.000 1.057 416 V CA 3.308 65.603 62.300 -0.009 0.000 1.032 416 V CB -0.992 30.818 31.823 -0.022 0.000 0.645 416 V HN 0.682 nan 8.190 nan 0.000 0.447 417 T N -0.316 114.239 114.554 0.002 0.000 2.720 417 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 417 T C 1.723 176.430 174.700 0.011 0.000 1.037 417 T CA 1.970 64.075 62.100 0.008 0.000 1.144 417 T CB -0.258 68.612 68.868 0.003 0.000 0.864 417 T HN 0.326 nan 8.240 nan 0.000 0.444 418 L N 0.570 121.797 121.223 0.007 0.000 2.141 418 L HA 0.123 4.463 4.340 -0.000 0.000 0.209 418 L C 2.526 179.404 176.870 0.014 0.000 1.094 418 L CA 1.029 55.874 54.840 0.009 0.000 0.763 418 L CB -0.632 41.431 42.059 0.006 0.000 0.908 418 L HN 0.282 nan 8.230 nan 0.000 0.437 419 L N -0.849 120.384 121.223 0.017 0.000 2.046 419 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 419 L C 2.676 179.563 176.870 0.029 0.000 1.077 419 L CA 0.902 55.756 54.840 0.024 0.000 0.747 419 L CB -0.468 41.608 42.059 0.029 0.000 0.896 419 L HN 0.241 nan 8.230 nan 0.000 0.432 420 R N 0.181 120.700 120.500 0.031 0.000 2.241 420 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 420 R C 2.074 178.389 176.300 0.025 0.000 1.101 420 R CA 1.118 57.238 56.100 0.033 0.000 0.995 420 R CB -0.853 29.468 30.300 0.035 0.000 0.870 420 R HN 0.344 nan 8.270 nan 0.000 0.463 421 A N 0.912 123.744 122.820 0.020 0.000 2.066 421 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 421 A C 2.181 179.775 177.584 0.016 0.000 1.157 421 A CA 0.490 52.537 52.037 0.016 0.000 0.670 421 A CB -0.326 18.682 19.000 0.013 0.000 0.804 421 A HN 0.157 nan 8.150 nan 0.000 0.453 422 I N 0.853 121.434 120.570 0.018 0.000 2.091 422 I HA -0.336 3.834 4.170 -0.000 0.000 0.239 422 I C 2.934 179.061 176.117 0.017 0.000 1.061 422 I CA 1.836 63.147 61.300 0.018 0.000 1.317 422 I CB -0.559 37.453 38.000 0.020 0.000 1.031 422 I HN 0.510 nan 8.210 nan 0.000 0.401 423 S N 1.415 117.127 115.700 0.019 0.000 2.407 423 S HA -0.270 4.200 4.470 -0.000 0.000 0.235 423 S C 2.134 176.743 174.600 0.014 0.000 1.036 423 S CA 1.235 59.445 58.200 0.017 0.000 1.013 423 S CB -0.779 62.433 63.200 0.020 0.000 0.820 423 S HN 0.484 nan 8.310 nan 0.000 0.476 424 A N 1.515 124.343 122.820 0.014 0.000 1.872 424 A HA 0.130 4.450 4.320 -0.000 0.000 0.214 424 A C 2.447 180.037 177.584 0.011 0.000 1.187 424 A CA 1.474 53.518 52.037 0.012 0.000 0.614 424 A CB -1.015 17.992 19.000 0.012 0.000 0.826 424 A HN 0.499 nan 8.150 nan 0.000 0.442 425 V N 0.067 119.987 119.914 0.011 0.000 2.407 425 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 425 V C 2.484 178.584 176.094 0.010 0.000 1.055 425 V CA 2.306 64.612 62.300 0.010 0.000 1.049 425 V CB -0.885 30.944 31.823 0.010 0.000 0.662 425 V HN 0.649 nan 8.190 nan 0.000 0.455 426 E N 0.874 121.080 120.200 0.010 0.000 2.033 426 E HA -0.273 4.077 4.350 -0.000 0.000 0.199 426 E C 2.153 178.759 176.600 0.009 0.000 1.011 426 E CA 1.863 58.269 56.400 0.010 0.000 0.815 426 E CB -0.340 29.367 29.700 0.011 0.000 0.755 426 E HN 0.556 nan 8.360 nan 0.000 0.451 427 E N -0.310 119.896 120.200 0.009 0.000 2.130 427 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 427 E C 1.944 178.549 176.600 0.007 0.000 0.998 427 E CA 1.120 57.525 56.400 0.008 0.000 0.806 427 E CB -0.475 29.230 29.700 0.008 0.000 0.738 427 E HN 0.322 nan 8.360 nan 0.000 0.459 428 L N 0.275 121.503 121.223 0.007 0.000 2.046 428 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 428 L C 2.070 178.943 176.870 0.006 0.000 1.077 428 L CA 1.646 56.490 54.840 0.007 0.000 0.747 428 L CB -0.568 41.496 42.059 0.007 0.000 0.896 428 L HN 0.237 nan 8.230 nan 0.000 0.432 429 I N -0.175 120.399 120.570 0.007 0.000 2.194 429 I HA -0.363 3.807 4.170 -0.000 0.000 0.246 429 I C 2.381 178.502 176.117 0.006 0.000 1.093 429 I CA 1.673 62.977 61.300 0.006 0.000 1.355 429 I CB -0.526 37.478 38.000 0.007 0.000 1.046 429 I HN 0.298 nan 8.210 nan 0.000 0.413 430 K N 0.539 120.942 120.400 0.006 0.000 2.286 430 K HA -0.236 4.083 4.320 -0.000 0.000 0.203 430 K C 1.901 178.504 176.600 0.005 0.000 1.045 430 K CA 1.172 57.462 56.287 0.005 0.000 0.935 430 K CB -0.145 32.358 32.500 0.005 0.000 0.737 430 K HN 0.054 nan 8.250 nan 0.000 0.460 431 K N 0.626 121.029 120.400 0.005 0.000 2.374 431 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 431 K C -0.029 176.574 176.600 0.005 0.000 1.023 431 K CA 0.125 56.415 56.287 0.005 0.000 1.103 431 K CB 0.391 32.894 32.500 0.005 0.000 0.848 431 K HN -0.047 nan 8.250 nan 0.000 0.528 432 L N 0.335 121.561 121.223 0.005 0.000 2.358 432 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 432 L C 0.110 176.983 176.870 0.005 0.000 1.032 432 L CA -0.739 54.104 54.840 0.005 0.000 0.805 432 L CB 1.768 43.830 42.059 0.005 0.000 1.253 432 L HN 0.053 nan 8.230 nan 0.000 0.452 433 E N -0.713 119.490 120.200 0.005 0.000 2.440 433 E HA 0.512 4.862 4.350 -0.000 0.000 0.263 433 E C -0.086 176.517 176.600 0.005 0.000 0.938 433 E CA -0.381 56.021 56.400 0.005 0.000 0.831 433 E CB 1.523 31.225 29.700 0.004 0.000 1.456 433 E HN 0.717 nan 8.360 nan 0.000 0.427 434 G N 1.135 109.938 108.800 0.005 0.000 2.551 434 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.383 434 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.383 434 G C 0.425 175.328 174.900 0.006 0.000 1.370 434 G CA 0.752 45.855 45.100 0.005 0.000 0.940 434 G HN 0.701 nan 8.290 nan 0.000 0.524 435 D N 0.092 120.496 120.400 0.006 0.000 2.218 435 D HA -0.062 4.578 4.640 -0.000 0.000 0.204 435 D C 2.133 178.437 176.300 0.006 0.000 0.976 435 D CA 1.345 55.349 54.000 0.006 0.000 0.853 435 D CB -0.172 40.632 40.800 0.007 0.000 0.939 435 D HN 0.667 nan 8.370 nan 0.000 0.481 436 E N 0.492 120.696 120.200 0.006 0.000 2.118 436 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 436 E C 1.998 178.601 176.600 0.006 0.000 0.992 436 E CA 0.969 57.373 56.400 0.006 0.000 0.804 436 E CB 0.089 29.792 29.700 0.006 0.000 0.741 436 E HN 0.182 nan 8.360 nan 0.000 0.458 437 A N -0.027 122.797 122.820 0.006 0.000 1.968 437 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 437 A C 2.301 179.889 177.584 0.006 0.000 1.169 437 A CA 1.678 53.719 52.037 0.006 0.000 0.638 437 A CB -0.647 18.356 19.000 0.006 0.000 0.812 437 A HN 0.250 nan 8.150 nan 0.000 0.446 438 T N -0.031 114.527 114.554 0.006 0.000 2.708 438 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 438 T C 2.030 176.734 174.700 0.007 0.000 1.037 438 T CA 1.543 63.648 62.100 0.007 0.000 1.146 438 T CB -0.775 68.097 68.868 0.007 0.000 0.865 438 T HN 0.579 nan 8.240 nan 0.000 0.435 439 G N 1.424 110.228 108.800 0.007 0.000 2.529 439 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 439 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 439 G C 1.861 176.765 174.900 0.007 0.000 1.177 439 G CA 1.211 46.315 45.100 0.007 0.000 0.773 439 G HN 0.601 nan 8.290 nan 0.000 0.573 440 A N 0.834 123.658 122.820 0.007 0.000 1.892 440 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 440 A C 2.319 179.907 177.584 0.008 0.000 1.188 440 A CA 2.215 54.256 52.037 0.007 0.000 0.631 440 A CB -0.467 18.538 19.000 0.007 0.000 0.822 440 A HN 0.425 nan 8.150 nan 0.000 0.447 441 K N -0.461 119.944 120.400 0.007 0.000 2.103 441 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 441 K C 1.803 178.407 176.600 0.008 0.000 1.048 441 K CA 1.543 57.835 56.287 0.008 0.000 0.930 441 K CB -0.455 32.049 32.500 0.007 0.000 0.716 441 K HN 0.581 nan 8.250 nan 0.000 0.444 442 I N 0.709 121.284 120.570 0.008 0.000 2.151 442 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 442 I C 2.249 178.370 176.117 0.008 0.000 1.080 442 I CA 1.312 62.617 61.300 0.008 0.000 1.339 442 I CB -0.474 37.530 38.000 0.007 0.000 1.039 442 I HN -0.044 nan 8.210 nan 0.000 0.409 443 V N 0.767 120.686 119.914 0.008 0.000 2.343 443 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 443 V C 2.632 178.732 176.094 0.009 0.000 1.051 443 V CA 2.002 64.307 62.300 0.008 0.000 1.036 443 V CB -0.858 30.969 31.823 0.008 0.000 0.654 443 V HN 0.428 nan 8.190 nan 0.000 0.451 444 R N 0.189 120.694 120.500 0.009 0.000 2.103 444 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 444 R C 2.435 178.741 176.300 0.011 0.000 1.142 444 R CA 2.236 58.343 56.100 0.011 0.000 0.960 444 R CB -0.213 30.093 30.300 0.010 0.000 0.858 444 R HN 0.400 nan 8.270 nan 0.000 0.439 445 R N 0.462 120.968 120.500 0.010 0.000 2.057 445 R HA 0.050 4.390 4.340 -0.000 0.000 0.229 445 R C 2.053 178.359 176.300 0.010 0.000 1.136 445 R CA 1.932 58.038 56.100 0.010 0.000 0.952 445 R CB -0.963 29.343 30.300 0.009 0.000 0.848 445 R HN 0.280 nan 8.270 nan 0.000 0.430 446 A N 1.191 124.016 122.820 0.009 0.000 1.903 446 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 446 A C 2.281 179.870 177.584 0.009 0.000 1.191 446 A CA 1.972 54.014 52.037 0.008 0.000 0.638 446 A CB -1.023 17.982 19.000 0.008 0.000 0.823 446 A HN 0.414 nan 8.150 nan 0.000 0.451 447 L N -0.790 120.439 121.223 0.009 0.000 2.357 447 L HA -0.262 4.078 4.340 -0.000 0.000 0.220 447 L C 2.343 179.219 176.870 0.010 0.000 1.123 447 L CA 1.662 56.508 54.840 0.010 0.000 0.782 447 L CB -0.546 41.520 42.059 0.011 0.000 0.910 447 L HN 0.548 nan 8.230 nan 0.000 0.442 448 E N -1.053 119.154 120.200 0.011 0.000 2.250 448 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 448 E C 1.906 178.512 176.600 0.010 0.000 0.986 448 E CA -0.038 56.369 56.400 0.012 0.000 0.849 448 E CB 0.120 29.828 29.700 0.013 0.000 0.797 448 E HN 0.312 nan 8.360 nan 0.000 0.482 449 E N 0.775 120.981 120.200 0.009 0.000 2.065 449 E HA -0.175 4.175 4.350 -0.000 0.000 0.201 449 E C -0.697 175.908 176.600 0.008 0.000 1.016 449 E CA 1.511 57.916 56.400 0.009 0.000 0.818 449 E CB -1.481 28.224 29.700 0.008 0.000 0.749 449 E HN 0.228 nan 8.360 nan 0.000 0.453 450 P HA -0.162 nan 4.420 nan 0.000 0.213 450 P C 1.307 178.609 177.300 0.003 0.000 1.170 450 P CA 2.423 65.525 63.100 0.003 0.000 0.902 450 P CB -0.230 31.471 31.700 0.001 0.000 0.789 451 A N -0.225 122.596 122.820 0.003 0.000 1.873 451 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 451 A C 2.293 179.883 177.584 0.009 0.000 1.193 451 A CA 1.875 53.913 52.037 0.002 0.000 0.629 451 A CB -1.259 17.742 19.000 0.002 0.000 0.826 451 A HN 0.026 nan 8.150 nan 0.000 0.447 452 R N -1.226 119.280 120.500 0.010 0.000 2.103 452 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 452 R C 2.484 178.799 176.300 0.026 0.000 1.132 452 R CA 1.673 57.782 56.100 0.015 0.000 0.925 452 R CB -0.474 29.834 30.300 0.014 0.000 0.842 452 R HN 0.534 nan 8.270 nan 0.000 0.430 453 Q N 0.495 120.308 119.800 0.022 0.000 2.152 453 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 453 Q C 2.159 178.180 176.000 0.034 0.000 0.985 453 Q CA 1.420 57.239 55.803 0.026 0.000 0.863 453 Q CB -0.272 28.476 28.738 0.017 0.000 0.904 453 Q HN 0.455 nan 8.270 nan 0.000 0.422 454 I N 0.097 120.684 120.570 0.028 0.000 2.090 454 I HA -0.299 3.871 4.170 -0.000 0.000 0.236 454 I C 2.365 178.522 176.117 0.066 0.000 1.064 454 I CA 1.154 62.471 61.300 0.027 0.000 1.324 454 I CB -0.590 37.413 38.000 0.004 0.000 1.044 454 I HN 0.090 nan 8.210 nan 0.000 0.399 455 A N 0.342 123.214 122.820 0.087 0.000 1.892 455 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 455 A C 2.174 179.879 177.584 0.203 0.000 1.188 455 A CA 2.308 54.437 52.037 0.153 0.000 0.631 455 A CB -0.736 18.295 19.000 0.050 0.000 0.822 455 A HN 0.437 nan 8.150 nan 0.000 0.447 456 E N 0.530 120.803 120.200 0.122 0.000 2.033 456 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 456 E C 1.764 178.428 176.600 0.107 0.000 1.011 456 E CA 2.045 58.507 56.400 0.104 0.000 0.815 456 E CB -0.554 29.180 29.700 0.058 0.000 0.755 456 E HN 0.761 nan 8.360 nan 0.000 0.451 457 N N -0.610 118.140 118.700 0.083 0.000 2.430 457 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 457 N C 1.336 176.904 175.510 0.096 0.000 1.032 457 N CA 0.562 53.652 53.050 0.067 0.000 0.893 457 N CB -0.105 38.408 38.487 0.044 0.000 0.957 457 N HN 0.202 nan 8.380 nan 0.000 0.442 458 A N 0.452 123.373 122.820 0.169 0.000 2.123 458 A HA 0.301 4.621 4.320 -0.000 0.000 0.214 458 A C 1.474 179.237 177.584 0.298 0.000 1.152 458 A CA 0.852 53.043 52.037 0.255 0.000 0.728 458 A CB 0.055 19.246 19.000 0.318 0.000 0.814 458 A HN 0.305 nan 8.150 nan 0.000 0.464 459 G N -2.293 106.630 108.800 0.206 0.000 2.173 459 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.174 459 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.174 459 G C -0.325 174.442 174.900 -0.220 0.000 1.025 459 G CA 0.054 45.141 45.100 -0.021 0.000 0.706 459 G HN 0.389 nan 8.290 nan 0.000 0.499 460 Y N -0.749 119.572 120.300 0.036 0.000 2.693 460 Y HA 0.714 5.264 4.550 -0.000 0.000 0.331 460 Y C 0.223 176.108 175.900 -0.025 0.000 1.092 460 Y CA -1.386 56.715 58.100 0.002 0.000 1.131 460 Y CB 0.924 39.369 38.460 -0.025 0.000 1.318 460 Y HN -0.033 nan 8.280 nan 0.000 0.510 461 E N 0.726 120.998 120.200 0.121 0.000 2.044 461 E HA 0.201 4.551 4.350 -0.000 0.000 0.282 461 E C 0.832 177.447 176.600 0.025 0.000 1.031 461 E CA -0.027 56.402 56.400 0.049 0.000 0.824 461 E CB 1.123 30.838 29.700 0.026 0.000 1.076 461 E HN 0.913 nan 8.360 nan 0.000 0.395 462 G N 3.055 111.872 108.800 0.028 0.000 2.672 462 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.218 462 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.218 462 G C 1.537 176.438 174.900 0.002 0.000 1.238 462 G CA 1.253 46.361 45.100 0.013 0.000 0.791 462 G HN 0.506 nan 8.290 nan 0.000 0.606 463 S N -0.057 115.648 115.700 0.007 0.000 2.365 463 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 463 S C 2.461 177.065 174.600 0.006 0.000 1.039 463 S CA 1.376 59.581 58.200 0.007 0.000 1.033 463 S CB -0.545 62.660 63.200 0.008 0.000 0.887 463 S HN 0.216 nan 8.310 nan 0.000 0.447 464 V N 2.202 122.118 119.914 0.003 0.000 2.219 464 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 464 V C 2.143 178.243 176.094 0.010 0.000 1.053 464 V CA 1.989 64.290 62.300 0.003 0.000 1.009 464 V CB -0.698 31.128 31.823 0.005 0.000 0.636 464 V HN 0.442 nan 8.190 nan 0.000 0.445 465 I N -0.344 120.215 120.570 -0.019 0.000 2.118 465 I HA -0.260 3.910 4.170 -0.000 0.000 0.241 465 I C 2.389 178.548 176.117 0.070 0.000 1.070 465 I CA 1.555 62.852 61.300 -0.005 0.000 1.327 465 I CB -0.540 37.246 38.000 -0.357 0.000 1.034 465 I HN 0.158 nan 8.210 nan 0.000 0.405 466 V N 0.405 120.330 119.914 0.019 0.000 2.453 466 V HA -0.309 3.811 4.120 -0.000 0.000 0.252 466 V C 2.523 178.655 176.094 0.063 0.000 1.068 466 V CA 1.671 63.995 62.300 0.039 0.000 1.070 466 V CB -0.705 31.131 31.823 0.021 0.000 0.664 466 V HN 0.471 nan 8.190 nan 0.000 0.461 467 Q N -0.407 119.422 119.800 0.049 0.000 2.016 467 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 467 Q C 2.273 178.306 176.000 0.054 0.000 0.978 467 Q CA 1.839 57.666 55.803 0.040 0.000 0.833 467 Q CB -0.467 28.281 28.738 0.016 0.000 0.895 467 Q HN 0.747 nan 8.270 nan 0.000 0.427 468 Q N 0.065 119.893 119.800 0.047 0.000 2.170 468 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 468 Q C 2.064 178.175 176.000 0.186 0.000 0.976 468 Q CA 0.847 56.647 55.803 -0.004 0.000 0.858 468 Q CB -0.003 28.535 28.738 -0.333 0.000 0.907 468 Q HN 0.354 nan 8.270 nan 0.000 0.433 469 I N 0.098 120.836 120.570 0.279 0.000 2.133 469 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 469 I C 2.033 178.293 176.117 0.239 0.000 1.074 469 I CA 0.958 62.431 61.300 0.289 0.000 1.342 469 I CB -0.188 37.910 38.000 0.163 0.000 1.053 469 I HN 0.250 nan 8.210 nan 0.000 0.404 470 L N 0.516 121.826 121.223 0.144 0.000 2.353 470 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 470 L C 2.625 179.550 176.870 0.092 0.000 1.133 470 L CA 0.789 55.690 54.840 0.102 0.000 0.798 470 L CB -0.615 41.484 42.059 0.065 0.000 0.922 470 L HN 0.260 nan 8.230 nan 0.000 0.445 471 A N -0.127 122.754 122.820 0.100 0.000 1.825 471 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 471 A C 1.340 178.951 177.584 0.046 0.000 1.206 471 A CA 0.670 52.741 52.037 0.056 0.000 0.609 471 A CB -0.436 18.583 19.000 0.032 0.000 0.851 471 A HN 0.333 nan 8.150 nan 0.000 0.445 472 E N 1.098 121.335 120.200 0.062 0.000 2.161 472 E HA 0.161 4.511 4.350 -0.000 0.000 0.263 472 E C 0.125 176.741 176.600 0.028 0.000 1.185 472 E CA 0.440 56.809 56.400 -0.050 0.000 0.938 472 E CB 0.100 29.580 29.700 -0.367 0.000 1.023 472 E HN 0.488 nan 8.360 nan 0.000 0.433 473 T N 0.986 115.545 114.554 0.009 0.000 3.251 473 T HA 0.202 4.552 4.350 -0.000 0.000 0.259 473 T C 0.799 175.504 174.700 0.009 0.000 0.998 473 T CA -0.430 61.687 62.100 0.029 0.000 0.905 473 T CB 0.234 69.117 68.868 0.025 0.000 1.067 473 T HN 0.270 nan 8.240 nan 0.000 0.569 474 K N 1.558 121.948 120.400 -0.016 0.000 2.029 474 K HA 0.093 4.413 4.320 -0.000 0.000 0.205 474 K C 0.732 177.334 176.600 0.002 0.000 1.042 474 K CA 0.582 56.857 56.287 -0.020 0.000 0.949 474 K CB -0.050 32.420 32.500 -0.049 0.000 0.740 474 K HN 0.308 nan 8.250 nan 0.000 0.442 475 N N 1.434 120.141 118.700 0.012 0.000 2.518 475 N HA 0.110 4.850 4.740 -0.000 0.000 0.254 475 N C -2.131 173.439 175.510 0.101 0.000 0.979 475 N CA -2.284 50.794 53.050 0.047 0.000 0.930 475 N CB 1.421 39.935 38.487 0.045 0.000 1.152 475 N HN -0.183 nan 8.380 nan 0.000 0.505 476 P HA -0.168 nan 4.420 nan 0.000 0.220 476 P C 0.485 177.848 177.300 0.105 0.000 1.144 476 P CA 0.990 64.145 63.100 0.092 0.000 0.800 476 P CB 0.335 32.069 31.700 0.057 0.000 0.772 477 R N -1.866 118.696 120.500 0.104 0.000 2.339 477 R HA -0.032 4.308 4.340 -0.000 0.000 0.199 477 R C 0.641 177.026 176.300 0.142 0.000 1.018 477 R CA -0.102 56.053 56.100 0.093 0.000 1.036 477 R CB -0.621 29.723 30.300 0.073 0.000 0.899 477 R HN 0.227 nan 8.270 nan 0.000 0.473 478 Y N 0.823 121.154 120.300 0.051 0.000 2.436 478 Y HA 0.326 4.876 4.550 -0.000 0.000 0.336 478 Y C 0.463 176.426 175.900 0.106 0.000 1.049 478 Y CA -0.004 58.148 58.100 0.087 0.000 1.294 478 Y CB 0.618 39.138 38.460 0.100 0.000 1.179 478 Y HN 0.042 nan 8.280 nan 0.000 0.520 479 G N 4.600 113.175 108.800 -0.376 0.000 2.645 479 G HA2 0.361 4.321 3.960 -0.000 0.000 0.292 479 G HA3 0.361 4.321 3.960 -0.000 0.000 0.292 479 G C -2.289 172.330 174.900 -0.468 0.000 1.415 479 G CA -0.937 43.959 45.100 -0.340 0.000 0.785 479 G HN 0.471 nan 8.290 nan 0.000 0.483 480 F N 1.538 121.086 119.950 -0.670 0.000 2.420 480 F HA 0.548 5.075 4.527 -0.000 0.000 0.342 480 F C 0.152 175.621 175.800 -0.551 0.000 1.113 480 F CA -1.671 55.767 58.000 -0.938 0.000 1.059 480 F CB 1.752 40.076 39.000 -1.126 0.000 1.128 480 F HN 0.306 nan 8.300 nan 0.000 0.475 481 N N 5.147 123.160 118.700 -1.145 0.000 2.868 481 N HA 0.153 4.893 4.740 -0.000 0.000 0.252 481 N C 0.699 175.456 175.510 -1.254 0.000 1.130 481 N CA 0.369 52.895 53.050 -0.873 0.000 1.026 481 N CB 0.863 39.025 38.487 -0.543 0.000 1.335 481 N HN 0.806 nan 8.380 nan 0.000 0.516 482 A N 2.502 124.676 122.820 -1.077 0.000 2.245 482 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 482 A C 1.821 179.144 177.584 -0.435 0.000 1.171 482 A CA 1.715 53.282 52.037 -0.783 0.000 0.688 482 A CB -0.217 18.613 19.000 -0.283 0.000 0.781 482 A HN 0.655 nan 8.150 nan 0.000 0.479 483 A N -1.180 121.406 122.820 -0.390 0.000 2.014 483 A HA 0.156 4.476 4.320 -0.000 0.000 0.210 483 A C 2.182 179.669 177.584 -0.162 0.000 1.188 483 A CA 1.676 53.591 52.037 -0.202 0.000 0.731 483 A CB -0.389 18.514 19.000 -0.162 0.000 0.858 483 A HN 0.718 nan 8.150 nan 0.000 0.464 484 T N -5.145 109.265 114.554 -0.241 0.000 2.990 484 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 484 T C 1.279 175.914 174.700 -0.108 0.000 1.041 484 T CA 1.159 63.175 62.100 -0.140 0.000 1.010 484 T CB 0.183 68.971 68.868 -0.134 0.000 1.003 484 T HN 1.689 nan 8.240 nan 0.000 0.499 485 G N 1.372 109.985 108.800 -0.313 0.000 2.212 485 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.255 485 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.255 485 G C -0.465 174.480 174.900 0.075 0.000 1.062 485 G CA -0.002 45.022 45.100 -0.127 0.000 0.815 485 G HN 0.693 nan 8.290 nan 0.000 0.497 486 E N -1.145 118.940 120.200 -0.192 0.000 2.314 486 E HA 0.551 4.901 4.350 -0.000 0.000 0.272 486 E C -0.805 175.790 176.600 -0.007 0.000 0.884 486 E CA -1.048 55.402 56.400 0.084 0.000 0.753 486 E CB 1.419 31.154 29.700 0.059 0.000 1.213 486 E HN 0.051 nan 8.360 nan 0.000 0.432 487 F N 1.831 121.861 119.950 0.134 0.000 2.427 487 F HA 0.295 4.822 4.527 0.000 0.000 0.352 487 F C 0.655 176.484 175.800 0.048 0.000 1.100 487 F CA -0.252 57.767 58.000 0.032 0.000 1.191 487 F CB 0.877 39.910 39.000 0.055 0.000 1.128 487 F HN 0.204 nan 8.300 nan 0.000 0.533 488 V N -0.757 119.190 119.914 0.055 0.000 3.203 488 V HA 0.473 4.593 4.120 -0.000 0.000 0.305 488 V C -1.144 175.020 176.094 0.116 0.000 1.361 488 V CA -1.142 61.228 62.300 0.118 0.000 1.066 488 V CB 1.825 33.654 31.823 0.011 0.000 1.085 488 V HN 0.554 nan 8.190 nan 0.000 0.456 489 D N 1.542 122.016 120.400 0.123 0.000 2.374 489 D HA 0.201 4.841 4.640 -0.000 0.000 0.240 489 D C 1.232 177.549 176.300 0.030 0.000 1.229 489 D CA -0.376 53.688 54.000 0.108 0.000 0.895 489 D CB 1.307 42.163 40.800 0.092 0.000 1.046 489 D HN 0.528 nan 8.370 nan 0.000 0.498 490 M N 3.084 122.684 119.600 0.000 0.000 2.103 490 M HA -0.202 4.278 4.480 -0.000 0.000 0.255 490 M C 2.042 178.327 176.300 -0.025 0.000 1.074 490 M CA 1.183 56.459 55.300 -0.039 0.000 1.090 490 M CB -1.005 31.567 32.600 -0.047 0.000 1.325 490 M HN 0.313 nan 8.290 nan 0.000 0.403 491 V N -0.010 119.902 119.914 -0.004 0.000 2.237 491 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 491 V C 2.402 178.494 176.094 -0.004 0.000 1.046 491 V CA 2.177 64.475 62.300 -0.003 0.000 1.007 491 V CB -0.846 30.981 31.823 0.008 0.000 0.638 491 V HN 0.529 nan 8.190 nan 0.000 0.445 492 E N 0.270 120.474 120.200 0.006 0.000 2.160 492 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 492 E C 2.023 178.620 176.600 -0.005 0.000 0.991 492 E CA 1.323 57.727 56.400 0.006 0.000 0.810 492 E CB -0.166 29.545 29.700 0.018 0.000 0.742 492 E HN 0.584 nan 8.360 nan 0.000 0.466 493 A N -0.025 122.785 122.820 -0.015 0.000 2.167 493 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 493 A C 1.747 179.306 177.584 -0.042 0.000 1.151 493 A CA 1.023 53.040 52.037 -0.034 0.000 0.735 493 A CB -0.341 18.625 19.000 -0.056 0.000 0.802 493 A HN 0.480 nan 8.150 nan 0.000 0.467 494 G N -0.974 107.805 108.800 -0.034 0.000 2.136 494 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 494 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 494 G C 0.077 174.948 174.900 -0.048 0.000 0.989 494 G CA 0.210 45.288 45.100 -0.036 0.000 0.682 494 G HN 0.524 nan 8.290 nan 0.000 0.522 495 I N 1.587 122.123 120.570 -0.057 0.000 2.317 495 I HA 0.417 4.587 4.170 -0.000 0.000 0.286 495 I C 0.675 176.760 176.117 -0.054 0.000 1.119 495 I CA -0.869 60.389 61.300 -0.069 0.000 1.228 495 I CB 0.609 38.548 38.000 -0.101 0.000 1.476 495 I HN 0.156 nan 8.210 nan 0.000 0.514 496 V N 0.675 120.564 119.914 -0.043 0.000 2.960 496 V HA 0.698 4.818 4.120 -0.000 0.000 0.315 496 V C -0.831 175.245 176.094 -0.030 0.000 1.087 496 V CA -0.672 61.609 62.300 -0.031 0.000 0.982 496 V CB 2.662 34.472 31.823 -0.022 0.000 1.039 496 V HN 0.244 nan 8.190 nan 0.000 0.437 497 D N 1.605 121.991 120.400 -0.023 0.000 2.671 497 D HA 0.489 5.129 4.640 -0.000 0.000 0.232 497 D C -3.026 173.265 176.300 -0.014 0.000 1.114 497 D CA -1.319 52.669 54.000 -0.021 0.000 0.858 497 D CB 2.640 43.428 40.800 -0.020 0.000 1.544 497 D HN 0.488 nan 8.370 nan 0.000 0.471 498 P HA 0.054 nan 4.420 nan 0.000 0.264 498 P C 0.477 177.773 177.300 -0.007 0.000 1.229 498 P CA -0.066 63.029 63.100 -0.009 0.000 0.780 498 P CB 0.697 32.391 31.700 -0.010 0.000 0.808 499 A N 4.952 127.769 122.820 -0.004 0.000 2.042 499 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 499 A C 2.224 179.807 177.584 -0.001 0.000 1.167 499 A CA 1.746 53.782 52.037 -0.002 0.000 0.649 499 A CB -0.967 18.033 19.000 -0.000 0.000 0.809 499 A HN 0.521 nan 8.150 nan 0.000 0.457 500 K N -0.068 120.331 120.400 -0.002 0.000 2.026 500 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 500 K C 2.027 178.627 176.600 -0.001 0.000 1.048 500 K CA 1.884 58.171 56.287 -0.001 0.000 0.929 500 K CB -0.443 32.056 32.500 -0.001 0.000 0.713 500 K HN 0.466 nan 8.250 nan 0.000 0.439 501 V N -0.863 119.050 119.914 -0.003 0.000 2.287 501 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 501 V C 2.028 178.122 176.094 -0.001 0.000 1.053 501 V CA 2.332 64.631 62.300 -0.002 0.000 1.027 501 V CB -1.408 30.413 31.823 -0.005 0.000 0.646 501 V HN 0.267 nan 8.190 nan 0.000 0.447 502 T N 0.524 115.077 114.554 -0.002 0.000 2.580 502 T HA -0.284 4.066 4.350 -0.000 0.000 0.265 502 T C 2.011 176.712 174.700 0.001 0.000 1.063 502 T CA 2.733 64.832 62.100 -0.001 0.000 1.170 502 T CB -0.484 68.383 68.868 -0.002 0.000 0.863 502 T HN 0.617 nan 8.240 nan 0.000 0.418 503 R N 0.683 121.184 120.500 0.002 0.000 2.113 503 R HA -0.154 4.186 4.340 -0.000 0.000 0.244 503 R C 2.569 178.871 176.300 0.003 0.000 1.142 503 R CA 2.053 58.155 56.100 0.003 0.000 0.953 503 R CB -0.467 29.835 30.300 0.003 0.000 0.860 503 R HN 0.293 nan 8.270 nan 0.000 0.438 504 S N 0.482 116.184 115.700 0.003 0.000 2.343 504 S HA -0.145 4.325 4.470 -0.000 0.000 0.219 504 S C 2.073 176.675 174.600 0.004 0.000 1.033 504 S CA 1.190 59.392 58.200 0.003 0.000 1.014 504 S CB -0.475 62.727 63.200 0.003 0.000 0.915 504 S HN 0.600 nan 8.310 nan 0.000 0.435 505 A N 1.852 124.674 122.820 0.004 0.000 1.884 505 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 505 A C 2.176 179.762 177.584 0.004 0.000 1.197 505 A CA 2.029 54.068 52.037 0.004 0.000 0.637 505 A CB -1.060 17.942 19.000 0.003 0.000 0.827 505 A HN 0.431 nan 8.150 nan 0.000 0.450 506 L N -0.162 121.064 121.223 0.004 0.000 2.012 506 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 506 L C 2.434 179.307 176.870 0.005 0.000 1.073 506 L CA 2.570 57.413 54.840 0.005 0.000 0.748 506 L CB -1.068 40.994 42.059 0.005 0.000 0.891 506 L HN 0.560 nan 8.230 nan 0.000 0.431 507 Q N -0.630 119.172 119.800 0.005 0.000 2.124 507 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 507 Q C 1.922 177.925 176.000 0.005 0.000 0.977 507 Q CA 1.577 57.383 55.803 0.005 0.000 0.850 507 Q CB -0.251 28.490 28.738 0.005 0.000 0.901 507 Q HN 0.621 nan 8.270 nan 0.000 0.429 508 N N 0.442 119.145 118.700 0.005 0.000 2.207 508 N HA -0.063 4.677 4.740 -0.000 0.000 0.182 508 N C 1.691 177.204 175.510 0.005 0.000 1.020 508 N CA 1.160 54.213 53.050 0.005 0.000 0.858 508 N CB -0.240 38.251 38.487 0.006 0.000 0.991 508 N HN 0.196 nan 8.380 nan 0.000 0.427 509 A N 1.436 124.259 122.820 0.005 0.000 1.851 509 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 509 A C 2.359 179.946 177.584 0.005 0.000 1.195 509 A CA 2.156 54.196 52.037 0.005 0.000 0.622 509 A CB -1.024 17.979 19.000 0.005 0.000 0.831 509 A HN 0.303 nan 8.150 nan 0.000 0.444 510 A N -0.990 121.833 122.820 0.005 0.000 2.024 510 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 510 A C 2.418 180.005 177.584 0.005 0.000 1.164 510 A CA 2.166 54.206 52.037 0.005 0.000 0.643 510 A CB -0.801 18.202 19.000 0.005 0.000 0.806 510 A HN 0.571 nan 8.150 nan 0.000 0.451 511 S N -0.545 115.158 115.700 0.005 0.000 2.345 511 S HA -0.087 4.383 4.470 -0.000 0.000 0.220 511 S C 1.884 176.486 174.600 0.004 0.000 1.031 511 S CA 1.376 59.579 58.200 0.004 0.000 0.996 511 S CB -0.311 62.892 63.200 0.004 0.000 0.882 511 S HN 0.402 nan 8.310 nan 0.000 0.445 512 I N 1.676 122.248 120.570 0.004 0.000 2.286 512 I HA 0.009 4.179 4.170 -0.000 0.000 0.245 512 I C 2.703 178.822 176.117 0.003 0.000 1.104 512 I CA 1.235 62.536 61.300 0.003 0.000 1.397 512 I CB -2.162 35.840 38.000 0.003 0.000 1.072 512 I HN 0.428 nan 8.210 nan 0.000 0.417 513 G N 1.367 110.169 108.800 0.004 0.000 2.628 513 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 513 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 513 G C 1.876 176.779 174.900 0.004 0.000 1.240 513 G CA 1.646 46.749 45.100 0.004 0.000 0.792 513 G HN 0.469 nan 8.290 nan 0.000 0.593 514 A N 0.314 123.136 122.820 0.005 0.000 1.927 514 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 514 A C 2.450 180.036 177.584 0.004 0.000 1.185 514 A CA 1.818 53.858 52.037 0.005 0.000 0.639 514 A CB -0.513 18.490 19.000 0.005 0.000 0.820 514 A HN 0.330 nan 8.150 nan 0.000 0.451 515 L N -0.382 120.843 121.223 0.003 0.000 1.990 515 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 515 L C 2.596 179.467 176.870 0.001 0.000 1.072 515 L CA 2.109 56.950 54.840 0.002 0.000 0.755 515 L CB -1.280 40.780 42.059 0.001 0.000 0.889 515 L HN 0.467 nan 8.230 nan 0.000 0.432 516 I N -0.174 120.396 120.570 0.001 0.000 2.118 516 I HA -0.380 3.790 4.170 -0.000 0.000 0.241 516 I C 2.454 178.572 176.117 0.003 0.000 1.070 516 I CA 1.240 62.541 61.300 0.001 0.000 1.327 516 I CB -0.395 37.606 38.000 0.002 0.000 1.034 516 I HN 0.255 nan 8.210 nan 0.000 0.405 517 L N 0.444 121.670 121.223 0.005 0.000 2.351 517 L HA -0.200 4.140 4.340 -0.000 0.000 0.220 517 L C 2.269 179.144 176.870 0.008 0.000 1.127 517 L CA 1.735 56.579 54.840 0.007 0.000 0.786 517 L CB -1.353 40.711 42.059 0.008 0.000 0.914 517 L HN 0.498 nan 8.230 nan 0.000 0.443 518 T N -5.180 109.378 114.554 0.006 0.000 3.122 518 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 518 T C 0.742 175.446 174.700 0.006 0.000 1.067 518 T CA -0.308 61.796 62.100 0.007 0.000 0.966 518 T CB -0.393 68.479 68.868 0.006 0.000 1.002 518 T HN 0.064 nan 8.240 nan 0.000 0.542 519 T N 2.501 117.056 114.554 0.003 0.000 2.919 519 T HA 0.343 4.693 4.350 -0.000 0.000 0.302 519 T C 0.593 175.297 174.700 0.006 0.000 1.031 519 T CA -0.236 61.861 62.100 -0.004 0.000 1.127 519 T CB 1.442 70.303 68.868 -0.010 0.000 0.952 519 T HN 0.310 nan 8.240 nan 0.000 0.540 520 E N 0.212 120.413 120.200 0.001 0.000 2.712 520 E HA 0.474 4.824 4.350 -0.000 0.000 0.221 520 E C -0.310 176.297 176.600 0.011 0.000 0.943 520 E CA -0.044 56.379 56.400 0.039 0.000 1.259 520 E CB 0.663 30.402 29.700 0.064 0.000 1.167 520 E HN 0.813 nan 8.360 nan 0.000 0.569 521 A N -0.680 122.076 122.820 -0.106 0.000 2.601 521 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 521 A C -1.634 175.802 177.584 -0.247 0.000 1.075 521 A CA -0.408 51.430 52.037 -0.331 0.000 0.671 521 A CB 1.561 20.260 19.000 -0.501 0.000 1.277 521 A HN 0.082 nan 8.150 nan 0.000 0.417 522 V N 0.201 119.932 119.914 -0.306 0.000 2.817 522 V HA 0.509 4.629 4.120 -0.000 0.000 0.303 522 V C -1.104 174.875 176.094 -0.191 0.000 1.151 522 V CA -0.517 61.675 62.300 -0.181 0.000 0.929 522 V CB 2.042 33.799 31.823 -0.111 0.000 1.030 522 V HN 0.943 nan 8.190 nan 0.000 0.427 523 V N 3.941 123.774 119.914 -0.134 0.000 2.326 523 V HA 0.875 4.995 4.120 -0.000 0.000 0.281 523 V C 0.365 176.409 176.094 -0.083 0.000 1.015 523 V CA -0.029 62.203 62.300 -0.114 0.000 0.823 523 V CB 1.100 32.865 31.823 -0.097 0.000 1.009 523 V HN 1.056 nan 8.190 nan 0.000 0.436 524 A N 4.008 126.776 122.820 -0.086 0.000 2.414 524 A HA 0.895 5.215 4.320 -0.000 0.000 0.278 524 A C -0.357 177.125 177.584 -0.171 0.000 1.228 524 A CA -0.731 51.249 52.037 -0.095 0.000 0.857 524 A CB 0.976 19.948 19.000 -0.047 0.000 1.389 524 A HN 0.559 nan 8.150 nan 0.000 0.452 525 E N 1.172 121.167 120.200 -0.342 0.000 2.289 525 E HA 0.174 4.524 4.350 -0.000 0.000 0.278 525 E C -0.434 175.894 176.600 -0.453 0.000 1.032 525 E CA -0.168 55.958 56.400 -0.456 0.000 0.854 525 E CB 1.146 30.450 29.700 -0.660 0.000 1.046 525 E HN 0.495 nan 8.360 nan 0.000 0.409 526 K N 3.552 123.817 120.400 -0.224 0.000 2.355 526 K HA 0.132 4.452 4.320 -0.000 0.000 0.270 526 K C -2.077 174.477 176.600 -0.076 0.000 1.003 526 K CA -1.237 54.982 56.287 -0.114 0.000 0.957 526 K CB 0.137 32.601 32.500 -0.060 0.000 0.939 526 K HN 0.151 nan 8.250 nan 0.000 0.482 527 P HA -0.163 nan 4.420 nan 0.000 0.274 527 P C -0.949 176.385 177.300 0.056 0.000 1.224 527 P CA 0.424 63.565 63.100 0.067 0.000 0.803 527 P CB 0.336 32.066 31.700 0.049 0.000 0.876 528 E N 0.575 120.816 120.200 0.068 0.000 2.398 528 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 528 E C 0.208 176.825 176.600 0.029 0.000 1.046 528 E CA -0.134 56.296 56.400 0.050 0.000 0.908 528 E CB 0.448 30.174 29.700 0.044 0.000 0.963 528 E HN 0.278 nan 8.360 nan 0.000 0.431 529 K N 0.000 120.413 120.400 0.022 0.000 2.780 529 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 529 K CA 0.000 56.295 56.287 0.014 0.000 0.838 529 K CB 0.000 32.507 32.500 0.011 0.000 1.064 529 K HN 0.000 nan 8.250 nan 0.000 0.543