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 1f8m_1_C DATA FIRST_RESID 1 DATA SEQUENCE ASVVGTPKSA EQIQQEWDTN PRWKDVTRTY SAEDVVALQG SVVEEHTLAR DATA SEQUENCE RGAEVLWEQL HDLEWVNALG ALTGNMAVQQ VRAGLKAIYL SGWQVAGDAN DATA SEQUENCE LSGHTYPDQS LYPANSVPQV VRRINNALQR ADQIAKIEGD TSVENWLAPI DATA SEQUENCE VADGEAGFGG ALNVYELQKA LIAAGVAGSH WEDQLASEKK CGHLGGKVLI DATA SEQUENCE PTQQHIRTLT SARLAADVAD VPTVVIARTD AEAATLITSD VDERDQPFIT DATA SEQUENCE GERTREGFYR TKNGIEPCIA RAKAYAPFAD LIWMETGTPD LEAARQFSEA DATA SEQUENCE VKAEYPDQML AYNCSPSFNW KKHLDDATIA KFQKELAAMG FKFQFITLAG DATA SEQUENCE FHALNYSMFD LAYGYAQNQM SAYVELQERE FAAEERGYTA TKHQREVGAG DATA SEQUENCE YFDRIATTVD PNSSTTALTG STEEGQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.582 177.584 -0.003 0.000 1.274 1 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 1 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 2 S N -1.066 114.632 115.700 -0.004 0.000 2.656 2 S HA 0.632 5.102 4.470 0.000 0.000 0.273 2 S C 0.618 175.216 174.600 -0.005 0.000 1.168 2 S CA 0.303 58.501 58.200 -0.004 0.000 0.817 2 S CB 1.412 64.609 63.200 -0.004 0.000 1.146 2 S HN 2.118 nan 8.310 nan 0.000 0.475 3 V N 0.768 120.679 119.914 -0.005 0.000 3.354 3 V HA 0.411 4.531 4.120 0.000 0.000 0.258 3 V C 0.465 176.555 176.094 -0.007 0.000 1.159 3 V CA 0.423 62.720 62.300 -0.006 0.000 1.125 3 V CB -0.276 31.544 31.823 -0.005 0.000 0.774 3 V HN 0.543 nan 8.190 nan 0.000 0.464 4 V N 3.028 122.937 119.914 -0.007 0.000 2.584 4 V HA 0.438 4.558 4.120 0.000 0.000 0.303 4 V C 1.742 177.829 176.094 -0.012 0.000 1.035 4 V CA 1.252 63.546 62.300 -0.009 0.000 1.172 4 V CB -0.633 31.185 31.823 -0.009 0.000 0.896 4 V HN 1.025 nan 8.190 nan 0.000 0.486 5 G N 3.465 112.256 108.800 -0.015 0.000 2.153 5 G HA2 -0.256 3.705 3.960 0.000 0.000 0.252 5 G HA3 -0.256 3.705 3.960 0.000 0.000 0.252 5 G C 0.269 175.160 174.900 -0.014 0.000 0.994 5 G CA 0.207 45.295 45.100 -0.020 0.000 0.698 5 G HN 0.805 nan 8.290 nan 0.000 0.521 6 T N 2.535 117.082 114.554 -0.011 0.000 2.888 6 T HA 0.421 4.771 4.350 0.000 0.000 0.301 6 T C -1.474 173.220 174.700 -0.011 0.000 1.001 6 T CA -0.080 62.014 62.100 -0.010 0.000 1.147 6 T CB 1.149 70.011 68.868 -0.010 0.000 0.931 6 T HN 0.211 nan 8.240 nan 0.000 0.541 7 P HA 0.209 nan 4.420 nan 0.000 0.269 7 P C 0.059 177.348 177.300 -0.019 0.000 1.215 7 P CA -0.409 62.684 63.100 -0.012 0.000 0.780 7 P CB 0.573 32.266 31.700 -0.011 0.000 0.898 8 K N 0.548 120.934 120.400 -0.024 0.000 2.180 8 K HA 0.292 4.612 4.320 0.000 0.000 0.251 8 K C 0.629 177.198 176.600 -0.051 0.000 1.014 8 K CA -0.347 55.917 56.287 -0.037 0.000 0.913 8 K CB 0.287 32.758 32.500 -0.047 0.000 1.008 8 K HN 0.553 nan 8.250 nan 0.000 0.490 9 S N 0.187 115.852 115.700 -0.059 0.000 2.617 9 S HA 0.245 4.715 4.470 0.000 0.000 0.269 9 S C 1.126 175.664 174.600 -0.102 0.000 1.292 9 S CA -0.319 57.842 58.200 -0.065 0.000 1.010 9 S CB 1.601 64.768 63.200 -0.055 0.000 0.944 9 S HN 0.652 nan 8.310 nan 0.000 0.536 10 A N 1.370 124.129 122.820 -0.102 0.000 1.948 10 A HA -0.119 4.201 4.320 0.000 0.000 0.220 10 A C 1.980 179.456 177.584 -0.179 0.000 1.177 10 A CA 1.958 53.907 52.037 -0.147 0.000 0.636 10 A CB -1.198 17.741 19.000 -0.100 0.000 0.815 10 A HN 0.893 nan 8.150 nan 0.000 0.449 11 E N 0.106 120.234 120.200 -0.121 0.000 2.085 11 E HA -0.215 4.135 4.350 0.000 0.000 0.194 11 E C 2.217 178.739 176.600 -0.131 0.000 0.994 11 E CA 1.723 58.058 56.400 -0.109 0.000 0.801 11 E CB -0.359 29.301 29.700 -0.067 0.000 0.743 11 E HN 0.777 nan 8.360 nan 0.000 0.453 12 Q N -0.200 119.527 119.800 -0.123 0.000 2.124 12 Q HA -0.111 4.230 4.340 0.000 0.000 0.202 12 Q C 2.289 178.178 176.000 -0.185 0.000 0.977 12 Q CA 1.123 56.858 55.803 -0.114 0.000 0.850 12 Q CB -0.160 28.528 28.738 -0.082 0.000 0.901 12 Q HN 0.353 nan 8.270 nan 0.000 0.429 13 I N 0.358 120.749 120.570 -0.297 0.000 2.202 13 I HA -0.280 3.890 4.170 0.000 0.000 0.242 13 I C 2.566 178.193 176.117 -0.817 0.000 1.091 13 I CA 1.023 61.991 61.300 -0.552 0.000 1.368 13 I CB -0.208 37.400 38.000 -0.652 0.000 1.058 13 I HN 0.197 nan 8.210 nan 0.000 0.410 14 Q N 1.250 120.675 119.800 -0.626 0.000 2.061 14 Q HA -0.308 4.032 4.340 0.000 0.000 0.204 14 Q C 2.135 178.025 176.000 -0.183 0.000 0.984 14 Q CA 2.083 57.628 55.803 -0.430 0.000 0.846 14 Q CB -0.403 28.207 28.738 -0.213 0.000 0.902 14 Q HN 0.489 nan 8.270 nan 0.000 0.421 15 Q N -0.293 119.425 119.800 -0.136 0.000 2.096 15 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 15 Q C 1.788 177.808 176.000 0.034 0.000 0.982 15 Q CA 1.884 57.669 55.803 -0.031 0.000 0.850 15 Q CB -0.075 28.645 28.738 -0.030 0.000 0.901 15 Q HN 0.576 nan 8.270 nan 0.000 0.422 16 E N -0.639 119.562 120.200 0.001 0.000 2.072 16 E HA -0.184 4.166 4.350 0.000 0.000 0.191 16 E C 1.688 178.543 176.600 0.424 0.000 0.985 16 E CA 1.072 57.579 56.400 0.177 0.000 0.801 16 E CB -0.152 29.650 29.700 0.170 0.000 0.750 16 E HN 0.549 nan 8.360 nan 0.000 0.452 17 W N 1.471 122.826 121.300 0.092 0.000 2.374 17 W HA -0.104 4.556 4.660 0.000 0.000 0.288 17 W C 1.566 178.160 176.519 0.125 0.000 1.218 17 W CA 0.493 57.861 57.345 0.039 0.000 1.245 17 W CB -0.708 28.657 29.460 -0.158 0.000 1.126 17 W HN 0.100 nan 8.180 nan 0.000 0.545 18 D N -1.258 119.320 120.400 0.297 0.000 2.194 18 D HA -0.086 4.554 4.640 0.000 0.000 0.204 18 D C 2.116 178.515 176.300 0.165 0.000 0.964 18 D CA 2.220 56.334 54.000 0.190 0.000 0.846 18 D CB -0.326 40.544 40.800 0.117 0.000 0.962 18 D HN 0.252 nan 8.370 nan 0.000 0.490 19 T N -3.038 111.621 114.554 0.175 0.000 2.964 19 T HA 0.030 4.380 4.350 0.000 0.000 0.249 19 T C 0.787 175.563 174.700 0.127 0.000 1.000 19 T CA -0.427 61.750 62.100 0.128 0.000 0.992 19 T CB 0.131 69.055 68.868 0.092 0.000 1.087 19 T HN -0.184 nan 8.240 nan 0.000 0.489 20 N N 3.263 122.072 118.700 0.180 0.000 2.452 20 N HA 0.219 4.959 4.740 0.000 0.000 0.266 20 N C -2.041 173.484 175.510 0.025 0.000 1.175 20 N CA -1.894 51.208 53.050 0.088 0.000 0.945 20 N CB 1.596 40.135 38.487 0.086 0.000 1.063 20 N HN 0.012 nan 8.380 nan 0.000 0.472 21 P HA -0.109 nan 4.420 nan 0.000 0.221 21 P C 1.133 178.411 177.300 -0.035 0.000 1.145 21 P CA 0.796 63.902 63.100 0.010 0.000 0.795 21 P CB 0.296 32.004 31.700 0.012 0.000 0.775 22 R N -0.382 119.952 120.500 -0.276 0.000 2.103 22 R HA -0.148 4.193 4.340 0.000 0.000 0.242 22 R C 1.166 177.053 176.300 -0.690 0.000 1.142 22 R CA 1.665 57.332 56.100 -0.721 0.000 0.960 22 R CB -1.423 28.040 30.300 -1.397 0.000 0.858 22 R HN 0.308 nan 8.270 nan 0.000 0.439 23 W N 0.418 121.688 121.300 -0.050 0.000 3.325 23 W HA 0.300 4.961 4.660 0.000 0.000 0.370 23 W C 1.547 178.050 176.519 -0.027 0.000 1.169 23 W CA -0.845 56.455 57.345 -0.075 0.000 1.874 23 W CB 0.176 29.607 29.460 -0.048 0.000 1.076 23 W HN 0.119 nan 8.180 nan 0.000 0.684 24 K N 1.135 121.641 120.400 0.175 0.000 2.020 24 K HA -0.206 4.114 4.320 0.000 0.000 0.212 24 K C 0.581 177.252 176.600 0.118 0.000 1.050 24 K CA 1.895 58.265 56.287 0.140 0.000 0.929 24 K CB -0.070 32.506 32.500 0.125 0.000 0.714 24 K HN 0.050 nan 8.250 nan 0.000 0.443 25 D N 0.535 121.011 120.400 0.127 0.000 2.463 25 D HA 0.080 4.721 4.640 0.000 0.000 0.224 25 D C -0.776 175.533 176.300 0.016 0.000 1.174 25 D CA -0.014 54.036 54.000 0.084 0.000 0.829 25 D CB 0.851 41.723 40.800 0.120 0.000 0.993 25 D HN -0.076 nan 8.370 nan 0.000 0.497 26 V N 1.438 121.362 119.914 0.016 0.000 2.364 26 V HA 0.171 4.291 4.120 0.000 0.000 0.272 26 V C 0.640 176.595 176.094 -0.232 0.000 1.036 26 V CA -0.180 62.071 62.300 -0.082 0.000 0.880 26 V CB 1.471 33.307 31.823 0.022 0.000 0.991 26 V HN -0.031 nan 8.190 nan 0.000 0.460 27 T N 6.687 121.025 114.554 -0.360 0.000 2.806 27 T HA 0.488 4.838 4.350 0.000 0.000 0.290 27 T C 0.029 174.479 174.700 -0.417 0.000 0.966 27 T CA -0.402 61.444 62.100 -0.424 0.000 1.060 27 T CB 0.464 68.949 68.868 -0.639 0.000 0.927 27 T HN 0.557 nan 8.240 nan 0.000 0.485 28 R N 1.817 122.029 120.500 -0.481 0.000 2.435 28 R HA 0.283 4.623 4.340 0.000 0.000 0.308 28 R C 1.241 177.213 176.300 -0.546 0.000 0.975 28 R CA -0.427 55.239 56.100 -0.724 0.000 0.867 28 R CB 1.009 30.570 30.300 -1.230 0.000 1.171 28 R HN 0.775 nan 8.270 nan 0.000 0.470 29 T N -0.958 113.387 114.554 -0.348 0.000 3.160 29 T HA -0.027 4.323 4.350 0.000 0.000 0.257 29 T C 0.575 175.224 174.700 -0.085 0.000 1.147 29 T CA 0.576 62.600 62.100 -0.126 0.000 1.064 29 T CB -0.357 68.538 68.868 0.044 0.000 0.949 29 T HN 0.498 nan 8.240 nan 0.000 0.526 30 Y N 0.973 121.275 120.300 0.002 0.000 2.631 30 Y HA 0.791 5.341 4.550 0.000 0.000 0.328 30 Y C 0.256 176.219 175.900 0.105 0.000 1.118 30 Y CA -1.944 56.178 58.100 0.037 0.000 1.206 30 Y CB 0.700 39.178 38.460 0.030 0.000 1.337 30 Y HN 0.081 nan 8.280 nan 0.000 0.515 31 S N -0.281 115.643 115.700 0.374 0.000 2.713 31 S HA 0.672 5.142 4.470 0.000 0.000 0.283 31 S C 0.895 175.740 174.600 0.408 0.000 1.161 31 S CA -0.398 57.999 58.200 0.329 0.000 0.999 31 S CB 1.356 64.659 63.200 0.171 0.000 1.039 31 S HN 1.125 nan 8.310 nan 0.000 0.548 32 A N 0.613 123.547 122.820 0.189 0.000 1.930 32 A HA 0.003 4.323 4.320 0.000 0.000 0.217 32 A C 1.887 179.456 177.584 -0.024 0.000 1.175 32 A CA 1.446 53.411 52.037 -0.120 0.000 0.627 32 A CB -1.153 17.573 19.000 -0.455 0.000 0.815 32 A HN 0.839 nan 8.150 nan 0.000 0.443 33 E N 0.953 121.155 120.200 0.004 0.000 2.118 33 E HA -0.160 4.190 4.350 0.000 0.000 0.195 33 E C 1.408 178.025 176.600 0.027 0.000 0.992 33 E CA 1.374 57.776 56.400 0.003 0.000 0.804 33 E CB -0.336 29.370 29.700 0.009 0.000 0.741 33 E HN 0.569 nan 8.360 nan 0.000 0.458 34 D N -0.278 120.168 120.400 0.077 0.000 2.144 34 D HA -0.093 4.547 4.640 0.000 0.000 0.200 34 D C 1.941 178.254 176.300 0.021 0.000 0.978 34 D CA 0.715 54.749 54.000 0.057 0.000 0.833 34 D CB -0.097 40.767 40.800 0.106 0.000 0.961 34 D HN 0.057 nan 8.370 nan 0.000 0.470 35 V N 0.714 120.671 119.914 0.071 0.000 2.307 35 V HA -0.190 3.930 4.120 0.000 0.000 0.245 35 V C 2.676 178.779 176.094 0.014 0.000 1.045 35 V CA 0.994 63.323 62.300 0.048 0.000 1.024 35 V CB -0.425 31.482 31.823 0.140 0.000 0.651 35 V HN 0.047 nan 8.190 nan 0.000 0.449 36 V N 0.430 120.343 119.914 -0.002 0.000 2.407 36 V HA -0.250 3.870 4.120 0.000 0.000 0.248 36 V C 2.686 178.774 176.094 -0.011 0.000 1.055 36 V CA 1.844 64.136 62.300 -0.015 0.000 1.049 36 V CB -1.129 30.674 31.823 -0.032 0.000 0.662 36 V HN 0.564 nan 8.190 nan 0.000 0.455 37 A N -0.366 122.447 122.820 -0.012 0.000 2.024 37 A HA -0.120 4.200 4.320 0.000 0.000 0.220 37 A C 2.071 179.643 177.584 -0.020 0.000 1.164 37 A CA 1.587 53.614 52.037 -0.016 0.000 0.643 37 A CB -0.419 18.570 19.000 -0.018 0.000 0.806 37 A HN 0.557 nan 8.150 nan 0.000 0.451 38 L N -1.240 119.970 121.223 -0.021 0.000 2.567 38 L HA 0.020 4.360 4.340 0.000 0.000 0.225 38 L C 1.969 178.843 176.870 0.007 0.000 1.119 38 L CA 0.229 55.056 54.840 -0.022 0.000 0.871 38 L CB -0.153 41.881 42.059 -0.042 0.000 1.036 38 L HN 0.436 nan 8.230 nan 0.000 0.459 39 Q N 0.294 120.100 119.800 0.011 0.000 2.403 39 Q HA 0.177 4.517 4.340 0.000 0.000 0.203 39 Q C 1.285 177.293 176.000 0.014 0.000 0.932 39 Q CA 0.368 56.184 55.803 0.022 0.000 0.945 39 Q CB 0.424 29.174 28.738 0.019 0.000 1.045 39 Q HN 0.482 nan 8.270 nan 0.000 0.511 40 G N 1.390 110.193 108.800 0.005 0.000 2.601 40 G HA2 -0.364 3.596 3.960 0.000 0.000 0.261 40 G HA3 -0.364 3.596 3.960 0.000 0.000 0.261 40 G C 0.494 175.394 174.900 -0.000 0.000 1.289 40 G CA 0.249 45.351 45.100 0.002 0.000 0.920 40 G HN 0.461 nan 8.290 nan 0.000 0.571 41 S N -1.663 114.036 115.700 -0.001 0.000 2.540 41 S HA 0.566 5.036 4.470 0.000 0.000 0.218 41 S C 0.303 174.901 174.600 -0.004 0.000 0.977 41 S CA 0.775 58.973 58.200 -0.003 0.000 0.918 41 S CB 0.654 63.851 63.200 -0.004 0.000 0.806 41 S HN 1.461 nan 8.310 nan 0.000 0.496 42 V N 1.363 121.275 119.914 -0.002 0.000 2.733 42 V HA 0.491 4.611 4.120 0.000 0.000 0.306 42 V C -1.036 175.055 176.094 -0.005 0.000 1.084 42 V CA -0.741 61.555 62.300 -0.006 0.000 0.905 42 V CB 2.128 33.947 31.823 -0.007 0.000 1.010 42 V HN 0.158 nan 8.190 nan 0.000 0.424 43 V N 3.736 123.641 119.914 -0.014 0.000 2.350 43 V HA 0.372 4.493 4.120 0.000 0.000 0.285 43 V C 0.184 176.240 176.094 -0.064 0.000 1.014 43 V CA -0.650 61.640 62.300 -0.018 0.000 0.831 43 V CB 1.516 33.336 31.823 -0.005 0.000 1.000 43 V HN 0.918 nan 8.190 nan 0.000 0.433 44 E N 2.661 122.797 120.200 -0.106 0.000 2.392 44 E HA 0.163 4.513 4.350 0.000 0.000 0.264 44 E C -0.176 176.187 176.600 -0.394 0.000 1.024 44 E CA -0.153 56.111 56.400 -0.227 0.000 0.903 44 E CB 1.072 30.615 29.700 -0.262 0.000 0.963 44 E HN 0.675 nan 8.360 nan 0.000 0.432 45 E N 2.223 122.243 120.200 -0.300 0.000 2.331 45 E HA 0.032 4.382 4.350 0.000 0.000 0.272 45 E C -1.018 175.378 176.600 -0.341 0.000 1.036 45 E CA -0.190 56.070 56.400 -0.234 0.000 0.864 45 E CB 0.545 30.190 29.700 -0.091 0.000 1.035 45 E HN 0.378 nan 8.360 nan 0.000 0.408 46 H N 4.554 123.643 119.070 0.031 0.000 2.418 46 H HA 0.180 4.736 4.556 0.000 0.000 0.238 46 H C 0.341 175.690 175.328 0.034 0.000 1.403 46 H CA -0.198 55.868 56.048 0.030 0.000 1.419 46 H CB 0.442 30.223 29.762 0.030 0.000 1.463 46 H HN 0.551 nan 8.280 nan 0.000 0.515 47 T N 1.668 116.284 114.554 0.103 0.000 2.592 47 T HA -0.184 4.166 4.350 0.000 0.000 0.267 47 T C 2.364 177.115 174.700 0.085 0.000 1.060 47 T CA 1.266 63.413 62.100 0.078 0.000 1.167 47 T CB 0.056 68.957 68.868 0.054 0.000 0.863 47 T HN 0.393 nan 8.240 nan 0.000 0.431 48 L N 0.579 121.854 121.223 0.086 0.000 2.046 48 L HA -0.085 4.256 4.340 0.000 0.000 0.208 48 L C 3.114 180.028 176.870 0.074 0.000 1.077 48 L CA 1.280 56.164 54.840 0.073 0.000 0.747 48 L CB -0.830 41.267 42.059 0.063 0.000 0.896 48 L HN 0.274 nan 8.230 nan 0.000 0.432 49 A N 0.177 123.047 122.820 0.083 0.000 1.902 49 A HA -0.243 4.077 4.320 0.000 0.000 0.217 49 A C 2.466 180.100 177.584 0.083 0.000 1.181 49 A CA 1.797 53.875 52.037 0.069 0.000 0.623 49 A CB -0.567 18.464 19.000 0.052 0.000 0.818 49 A HN 0.342 nan 8.150 nan 0.000 0.443 50 R N -0.640 119.921 120.500 0.102 0.000 2.070 50 R HA -0.134 4.207 4.340 0.000 0.000 0.233 50 R C 2.496 178.843 176.300 0.079 0.000 1.137 50 R CA 1.647 57.804 56.100 0.094 0.000 0.945 50 R CB -0.337 30.020 30.300 0.095 0.000 0.845 50 R HN 0.529 nan 8.270 nan 0.000 0.430 51 R N -0.385 120.160 120.500 0.075 0.000 2.080 51 R HA -0.117 4.224 4.340 0.000 0.000 0.236 51 R C 2.252 178.596 176.300 0.073 0.000 1.137 51 R CA 1.954 58.095 56.100 0.069 0.000 0.943 51 R CB -0.735 29.605 30.300 0.065 0.000 0.846 51 R HN 0.434 nan 8.270 nan 0.000 0.431 52 G N -0.245 108.597 108.800 0.071 0.000 2.440 52 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 52 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 52 G C 1.502 176.449 174.900 0.078 0.000 1.154 52 G CA 0.831 45.974 45.100 0.071 0.000 0.767 52 G HN 0.509 nan 8.290 nan 0.000 0.552 53 A N 0.758 123.624 122.820 0.076 0.000 1.902 53 A HA -0.001 4.320 4.320 0.000 0.000 0.217 53 A C 2.171 179.820 177.584 0.108 0.000 1.181 53 A CA 1.894 53.980 52.037 0.082 0.000 0.623 53 A CB -0.371 18.667 19.000 0.064 0.000 0.818 53 A HN 0.457 nan 8.150 nan 0.000 0.443 54 E N -0.346 119.910 120.200 0.093 0.000 2.051 54 E HA -0.129 4.222 4.350 0.000 0.000 0.192 54 E C 2.041 178.735 176.600 0.157 0.000 0.991 54 E CA 1.354 57.822 56.400 0.114 0.000 0.799 54 E CB -0.318 29.430 29.700 0.080 0.000 0.748 54 E HN 0.384 nan 8.360 nan 0.000 0.449 55 V N 1.610 121.594 119.914 0.117 0.000 2.287 55 V HA -0.259 3.861 4.120 0.000 0.000 0.248 55 V C 2.374 178.543 176.094 0.124 0.000 1.053 55 V CA 1.565 63.928 62.300 0.105 0.000 1.027 55 V CB -0.456 31.414 31.823 0.077 0.000 0.646 55 V HN 0.233 nan 8.190 nan 0.000 0.447 56 L N -0.443 120.862 121.223 0.137 0.000 2.083 56 L HA -0.171 4.169 4.340 0.000 0.000 0.209 56 L C 2.131 179.128 176.870 0.211 0.000 1.083 56 L CA 1.998 56.923 54.840 0.141 0.000 0.752 56 L CB -0.726 41.399 42.059 0.110 0.000 0.899 56 L HN 0.534 nan 8.230 nan 0.000 0.433 57 W N 0.605 121.929 121.300 0.040 0.000 2.355 57 W HA -0.219 4.441 4.660 0.000 0.000 0.309 57 W C 2.131 178.744 176.519 0.158 0.000 1.206 57 W CA 1.749 59.144 57.345 0.083 0.000 1.284 57 W CB 0.045 29.525 29.460 0.033 0.000 1.145 57 W HN 0.274 nan 8.180 nan 0.000 0.502 58 E N 0.215 120.523 120.200 0.181 0.000 2.038 58 E HA -0.314 4.036 4.350 0.000 0.000 0.195 58 E C 2.173 178.783 176.600 0.017 0.000 1.000 58 E CA 1.833 58.270 56.400 0.061 0.000 0.803 58 E CB -0.620 29.125 29.700 0.074 0.000 0.750 58 E HN 0.426 nan 8.360 nan 0.000 0.448 59 Q N 0.320 120.139 119.800 0.033 0.000 2.096 59 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 59 Q C 2.349 178.332 176.000 -0.029 0.000 0.982 59 Q CA 1.062 56.872 55.803 0.011 0.000 0.850 59 Q CB -0.176 28.585 28.738 0.040 0.000 0.901 59 Q HN 0.327 nan 8.270 nan 0.000 0.422 60 L N -0.253 120.921 121.223 -0.081 0.000 2.191 60 L HA -0.193 4.147 4.340 0.000 0.000 0.212 60 L C 2.003 178.634 176.870 -0.398 0.000 1.103 60 L CA 0.860 55.576 54.840 -0.207 0.000 0.769 60 L CB -0.281 41.596 42.059 -0.303 0.000 0.908 60 L HN 0.350 nan 8.230 nan 0.000 0.438 61 H N -1.681 117.244 119.070 -0.241 0.000 2.654 61 H HA 0.067 4.623 4.556 0.000 0.000 0.264 61 H C 0.987 176.243 175.328 -0.121 0.000 0.954 61 H CA 0.477 56.390 56.048 -0.225 0.000 1.199 61 H CB 0.637 30.198 29.762 -0.335 0.000 1.446 61 H HN 0.326 nan 8.280 nan 0.000 0.516 62 D N 0.208 120.609 120.400 0.001 0.000 2.338 62 D HA 0.113 4.754 4.640 0.000 0.000 0.208 62 D C 0.803 177.095 176.300 -0.014 0.000 0.997 62 D CA 0.204 54.203 54.000 -0.002 0.000 0.880 62 D CB 1.005 41.803 40.800 -0.004 0.000 0.980 62 D HN 0.156 nan 8.370 nan 0.000 0.509 63 L N 0.819 122.029 121.223 -0.022 0.000 2.375 63 L HA 0.269 4.609 4.340 0.000 0.000 0.268 63 L C 1.728 178.605 176.870 0.012 0.000 1.058 63 L CA -0.499 54.320 54.840 -0.035 0.000 0.803 63 L CB 1.755 43.771 42.059 -0.072 0.000 1.212 63 L HN -0.201 nan 8.230 nan 0.000 0.451 64 E N 0.973 121.186 120.200 0.021 0.000 2.085 64 E HA -0.153 4.197 4.350 0.000 0.000 0.194 64 E C -0.821 176.000 176.600 0.370 0.000 0.994 64 E CA 1.628 58.139 56.400 0.184 0.000 0.801 64 E CB 0.273 30.128 29.700 0.260 0.000 0.743 64 E HN 0.540 nan 8.360 nan 0.000 0.453 65 W N -2.657 118.640 121.300 -0.004 0.000 3.161 65 W HA 0.446 5.106 4.660 0.000 0.000 0.314 65 W C -2.182 174.359 176.519 0.038 0.000 1.245 65 W CA -1.036 56.319 57.345 0.017 0.000 1.191 65 W CB 0.672 30.145 29.460 0.022 0.000 1.392 65 W HN -0.391 nan 8.180 nan 0.000 0.568 66 V N 4.440 124.494 119.914 0.233 0.000 2.370 66 V HA 0.418 4.538 4.120 0.000 0.000 0.283 66 V C -0.326 175.866 176.094 0.163 0.000 1.023 66 V CA -0.548 61.844 62.300 0.153 0.000 0.857 66 V CB 0.628 32.654 31.823 0.339 0.000 0.985 66 V HN 0.575 nan 8.190 nan 0.000 0.443 67 N N 3.836 122.537 118.700 0.002 0.000 2.457 67 N HA 0.932 5.673 4.740 0.000 0.000 0.290 67 N C -0.695 174.808 175.510 -0.012 0.000 1.232 67 N CA -0.632 52.408 53.050 -0.016 0.000 0.852 67 N CB 2.455 40.998 38.487 0.093 0.000 1.313 67 N HN 0.775 nan 8.380 nan 0.000 0.522 68 A N -0.651 122.149 122.820 -0.034 0.000 2.564 68 A HA 0.695 5.015 4.320 0.000 0.000 0.291 68 A C -1.865 175.788 177.584 0.116 0.000 1.102 68 A CA -0.778 51.312 52.037 0.089 0.000 0.660 68 A CB 0.883 20.023 19.000 0.234 0.000 1.283 68 A HN 0.541 nan 8.150 nan 0.000 0.430 69 L N 0.529 121.860 121.223 0.180 0.000 2.370 69 L HA 0.643 4.983 4.340 0.000 0.000 0.266 69 L C 0.786 177.835 176.870 0.298 0.000 1.002 69 L CA -1.015 53.939 54.840 0.190 0.000 0.818 69 L CB 2.195 44.328 42.059 0.125 0.000 1.325 69 L HN 1.018 nan 8.230 nan 0.000 0.418 70 G N 1.348 110.362 108.800 0.356 0.000 2.343 70 G HA2 0.447 4.407 3.960 0.000 0.000 0.254 70 G HA3 0.447 4.407 3.960 0.000 0.000 0.254 70 G C -0.312 174.725 174.900 0.230 0.000 1.277 70 G CA -0.026 45.309 45.100 0.392 0.000 0.909 70 G HN 0.683 nan 8.290 nan 0.000 0.502 71 A N 2.471 125.388 122.820 0.162 0.000 2.331 71 A HA 0.607 4.927 4.320 0.000 0.000 0.320 71 A C 0.640 178.277 177.584 0.088 0.000 1.138 71 A CA -0.740 51.369 52.037 0.119 0.000 0.790 71 A CB 1.192 20.252 19.000 0.101 0.000 1.206 71 A HN 1.358 nan 8.150 nan 0.000 0.470 72 L N 1.111 122.390 121.223 0.094 0.000 2.817 72 L HA 0.414 4.754 4.340 0.000 0.000 0.248 72 L C 0.601 177.497 176.870 0.044 0.000 1.133 72 L CA 0.509 55.391 54.840 0.071 0.000 0.935 72 L CB 0.032 42.157 42.059 0.109 0.000 1.266 72 L HN 0.620 nan 8.230 nan 0.000 0.535 73 T N -4.483 110.100 114.554 0.049 0.000 2.901 73 T HA 0.612 4.962 4.350 0.000 0.000 0.293 73 T C 0.944 175.665 174.700 0.036 0.000 1.084 73 T CA -0.121 61.998 62.100 0.032 0.000 1.008 73 T CB 1.486 70.372 68.868 0.030 0.000 1.170 73 T HN 0.010 nan 8.240 nan 0.000 0.509 74 G N 1.063 109.877 108.800 0.024 0.000 2.408 74 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 74 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 74 G C 1.260 176.184 174.900 0.039 0.000 1.150 74 G CA 0.392 45.508 45.100 0.027 0.000 0.776 74 G HN 0.693 nan 8.290 nan 0.000 0.542 75 N N 0.474 119.194 118.700 0.033 0.000 2.149 75 N HA -0.052 4.688 4.740 0.000 0.000 0.188 75 N C 2.290 177.845 175.510 0.075 0.000 1.019 75 N CA 0.964 54.039 53.050 0.043 0.000 0.857 75 N CB -0.308 38.200 38.487 0.034 0.000 0.997 75 N HN 0.324 nan 8.380 nan 0.000 0.426 76 M N -0.021 119.625 119.600 0.077 0.000 2.117 76 M HA -0.092 4.388 4.480 0.000 0.000 0.262 76 M C 2.156 178.522 176.300 0.110 0.000 1.065 76 M CA 1.490 56.847 55.300 0.096 0.000 1.114 76 M CB -0.339 32.317 32.600 0.093 0.000 1.361 76 M HN 0.170 nan 8.290 nan 0.000 0.408 77 A N 0.006 122.888 122.820 0.104 0.000 1.902 77 A HA -0.098 4.222 4.320 0.000 0.000 0.217 77 A C 2.262 179.940 177.584 0.157 0.000 1.181 77 A CA 1.577 53.686 52.037 0.120 0.000 0.623 77 A CB -1.004 18.057 19.000 0.102 0.000 0.818 77 A HN 0.294 nan 8.150 nan 0.000 0.443 78 V N 0.111 120.117 119.914 0.153 0.000 2.287 78 V HA -0.297 3.823 4.120 0.000 0.000 0.248 78 V C 2.783 179.036 176.094 0.265 0.000 1.053 78 V CA 2.174 64.606 62.300 0.220 0.000 1.027 78 V CB -0.767 31.117 31.823 0.101 0.000 0.646 78 V HN 0.547 nan 8.190 nan 0.000 0.447 79 Q N -0.304 119.611 119.800 0.191 0.000 2.084 79 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 79 Q C 2.273 178.369 176.000 0.160 0.000 0.978 79 Q CA 1.678 57.598 55.803 0.194 0.000 0.844 79 Q CB -0.471 28.376 28.738 0.181 0.000 0.898 79 Q HN 0.717 nan 8.270 nan 0.000 0.426 80 Q N -0.323 119.559 119.800 0.136 0.000 2.135 80 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 80 Q C 2.169 178.214 176.000 0.075 0.000 0.981 80 Q CA 1.480 57.344 55.803 0.101 0.000 0.856 80 Q CB 0.036 28.839 28.738 0.107 0.000 0.902 80 Q HN 0.169 nan 8.270 nan 0.000 0.425 81 V N 0.293 120.268 119.914 0.101 0.000 2.407 81 V HA -0.183 3.937 4.120 0.000 0.000 0.245 81 V C 2.176 178.198 176.094 -0.120 0.000 1.041 81 V CA 1.627 63.924 62.300 -0.004 0.000 1.040 81 V CB -0.380 31.479 31.823 0.060 0.000 0.671 81 V HN 0.215 nan 8.190 nan 0.000 0.455 82 R N 1.698 122.235 120.500 0.062 0.000 2.096 82 R HA -0.061 4.279 4.340 0.000 0.000 0.235 82 R C 1.873 178.187 176.300 0.022 0.000 1.127 82 R CA 1.820 57.959 56.100 0.065 0.000 0.968 82 R CB -0.752 29.724 30.300 0.295 0.000 0.861 82 R HN 0.428 nan 8.270 nan 0.000 0.440 83 A N -1.247 121.602 122.820 0.049 0.000 2.235 83 A HA 0.309 4.629 4.320 0.000 0.000 0.208 83 A C 1.425 178.999 177.584 -0.017 0.000 1.172 83 A CA 0.734 52.790 52.037 0.032 0.000 0.786 83 A CB -0.479 18.551 19.000 0.051 0.000 0.804 83 A HN 0.611 nan 8.150 nan 0.000 0.479 84 G N -1.686 107.078 108.800 -0.060 0.000 2.201 84 G HA2 -0.166 3.794 3.960 0.000 0.000 0.212 84 G HA3 -0.166 3.794 3.960 0.000 0.000 0.212 84 G C 0.135 174.987 174.900 -0.081 0.000 0.994 84 G CA -0.024 45.027 45.100 -0.082 0.000 0.644 84 G HN 0.365 nan 8.290 nan 0.000 0.508 85 L N 0.079 121.271 121.223 -0.051 0.000 2.452 85 L HA 0.455 4.795 4.340 0.000 0.000 0.267 85 L C 1.433 178.283 176.870 -0.033 0.000 1.188 85 L CA 0.027 54.848 54.840 -0.032 0.000 0.821 85 L CB 0.809 42.876 42.059 0.013 0.000 1.102 85 L HN 0.056 nan 8.230 nan 0.000 0.470 86 K N 1.054 121.446 120.400 -0.013 0.000 2.402 86 K HA 0.417 4.737 4.320 0.000 0.000 0.204 86 K C -0.308 176.330 176.600 0.064 0.000 1.056 86 K CA -0.111 56.176 56.287 -0.000 0.000 1.069 86 K CB 1.182 33.667 32.500 -0.024 0.000 0.888 86 K HN 0.684 nan 8.250 nan 0.000 0.546 87 A N 1.026 123.914 122.820 0.113 0.000 2.572 87 A HA 0.696 5.016 4.320 0.000 0.000 0.295 87 A C -1.408 176.303 177.584 0.211 0.000 1.072 87 A CA -0.697 51.456 52.037 0.193 0.000 0.691 87 A CB 1.202 20.406 19.000 0.340 0.000 1.291 87 A HN 0.103 nan 8.150 nan 0.000 0.404 88 I N 0.969 121.669 120.570 0.218 0.000 2.509 88 I HA 0.354 4.524 4.170 0.000 0.000 0.293 88 I C -1.259 175.025 176.117 0.279 0.000 1.020 88 I CA -0.630 60.798 61.300 0.213 0.000 1.088 88 I CB 1.967 40.049 38.000 0.136 0.000 1.267 88 I HN 0.724 nan 8.210 nan 0.000 0.430 89 Y N 7.122 127.534 120.300 0.186 0.000 2.330 89 Y HA 0.548 5.098 4.550 0.000 0.000 0.336 89 Y C -1.157 174.824 175.900 0.136 0.000 1.036 89 Y CA -1.002 57.204 58.100 0.177 0.000 1.125 89 Y CB 1.375 39.956 38.460 0.202 0.000 1.194 89 Y HN 0.368 nan 8.280 nan 0.000 0.469 90 L N 7.006 127.806 121.223 -0.705 0.000 2.324 90 L HA 0.420 4.760 4.340 0.000 0.000 0.274 90 L C -0.533 175.942 176.870 -0.659 0.000 1.012 90 L CA -0.269 54.293 54.840 -0.463 0.000 0.859 90 L CB 0.410 42.322 42.059 -0.245 0.000 1.224 90 L HN 0.672 nan 8.230 nan 0.000 0.429 91 S N 2.744 118.216 115.700 -0.381 0.000 2.528 91 S HA 0.429 4.899 4.470 0.000 0.000 0.277 91 S C 1.420 176.094 174.600 0.124 0.000 1.297 91 S CA 0.188 58.400 58.200 0.021 0.000 1.052 91 S CB 1.033 64.449 63.200 0.359 0.000 0.917 91 S HN 0.887 nan 8.310 nan 0.000 0.492 92 G N 3.774 112.703 108.800 0.214 0.000 2.421 92 G HA2 -0.142 3.819 3.960 0.000 0.000 0.217 92 G HA3 -0.142 3.819 3.960 0.000 0.000 0.217 92 G C 1.035 176.130 174.900 0.324 0.000 1.143 92 G CA 0.200 45.457 45.100 0.261 0.000 0.784 92 G HN 0.879 nan 8.290 nan 0.000 0.541 93 W N 1.193 122.602 121.300 0.181 0.000 2.355 93 W HA -0.083 4.577 4.660 0.000 0.000 0.309 93 W C 2.790 179.348 176.519 0.065 0.000 1.206 93 W CA 1.506 58.928 57.345 0.128 0.000 1.284 93 W CB 0.144 29.668 29.460 0.106 0.000 1.145 93 W HN 0.235 nan 8.180 nan 0.000 0.502 94 Q N -0.384 119.770 119.800 0.591 0.000 2.167 94 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 94 Q C 2.100 178.182 176.000 0.136 0.000 0.970 94 Q CA 1.748 57.822 55.803 0.452 0.000 0.855 94 Q CB -0.517 28.450 28.738 0.381 0.000 0.911 94 Q HN 0.232 nan 8.270 nan 0.000 0.438 95 V N 0.981 120.906 119.914 0.019 0.000 2.358 95 V HA -0.273 3.848 4.120 0.000 0.000 0.246 95 V C 2.275 178.217 176.094 -0.254 0.000 1.047 95 V CA 1.859 64.046 62.300 -0.187 0.000 1.035 95 V CB -0.852 30.750 31.823 -0.368 0.000 0.658 95 V HN 0.393 nan 8.190 nan 0.000 0.452 96 A N 0.281 123.004 122.820 -0.161 0.000 1.902 96 A HA -0.103 4.217 4.320 0.000 0.000 0.217 96 A C 2.365 179.903 177.584 -0.077 0.000 1.181 96 A CA 2.006 54.071 52.037 0.046 0.000 0.623 96 A CB -1.100 17.975 19.000 0.124 0.000 0.818 96 A HN 0.543 nan 8.150 nan 0.000 0.443 97 G N -1.928 106.711 108.800 -0.268 0.000 2.464 97 G HA2 0.060 4.020 3.960 0.000 0.000 0.217 97 G HA3 0.060 4.020 3.960 0.000 0.000 0.217 97 G C 0.828 175.704 174.900 -0.040 0.000 1.138 97 G CA 1.400 46.343 45.100 -0.263 0.000 0.793 97 G HN 0.489 nan 8.290 nan 0.000 0.539 98 D N -1.973 118.431 120.400 0.007 0.000 2.583 98 D HA 0.310 4.950 4.640 0.000 0.000 0.282 98 D C 0.590 176.889 176.300 -0.002 0.000 1.485 98 D CA 0.379 54.401 54.000 0.037 0.000 0.834 98 D CB 0.323 41.208 40.800 0.143 0.000 1.258 98 D HN 0.159 nan 8.370 nan 0.000 0.470 99 A N 1.271 124.063 122.820 -0.047 0.000 3.339 99 A HA 0.273 4.593 4.320 0.000 0.000 0.219 99 A C -0.436 177.066 177.584 -0.137 0.000 0.974 99 A CA -0.752 51.243 52.037 -0.070 0.000 1.050 99 A CB -0.297 18.678 19.000 -0.041 0.000 1.271 99 A HN 0.201 nan 8.150 nan 0.000 0.565 100 N N -0.403 118.215 118.700 -0.137 0.000 2.362 100 N HA 0.383 5.123 4.740 0.000 0.000 0.299 100 N C -0.083 175.392 175.510 -0.057 0.000 1.170 100 N CA -0.727 52.227 53.050 -0.160 0.000 0.825 100 N CB 1.056 39.416 38.487 -0.213 0.000 1.299 100 N HN -0.079 nan 8.380 nan 0.000 0.502 101 L N 1.151 122.361 121.223 -0.022 0.000 2.450 101 L HA -0.100 4.240 4.340 0.000 0.000 0.224 101 L C 2.493 179.381 176.870 0.029 0.000 1.149 101 L CA 1.342 56.183 54.840 0.002 0.000 0.816 101 L CB -1.514 40.552 42.059 0.011 0.000 0.932 101 L HN 0.832 nan 8.230 nan 0.000 0.449 102 S N -1.636 114.117 115.700 0.089 0.000 2.496 102 S HA 0.137 4.607 4.470 0.000 0.000 0.224 102 S C 1.751 176.308 174.600 -0.073 0.000 0.996 102 S CA 0.569 58.834 58.200 0.108 0.000 0.927 102 S CB -0.053 63.345 63.200 0.330 0.000 0.774 102 S HN 0.494 nan 8.310 nan 0.000 0.524 103 G N 0.310 109.037 108.800 -0.121 0.000 2.179 103 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 103 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 103 G C -0.023 174.660 174.900 -0.362 0.000 0.977 103 G CA 0.460 45.417 45.100 -0.237 0.000 0.641 103 G HN 0.727 nan 8.290 nan 0.000 0.533 104 H N 0.259 119.182 119.070 -0.244 0.000 2.496 104 H HA 0.587 5.143 4.556 0.000 0.000 0.342 104 H C 0.195 175.180 175.328 -0.572 0.000 1.170 104 H CA 0.223 55.990 56.048 -0.468 0.000 1.274 104 H CB 1.149 30.463 29.762 -0.746 0.000 1.538 104 H HN 0.103 nan 8.280 nan 0.000 0.542 105 T N 2.933 117.307 114.554 -0.300 0.000 2.749 105 T HA 0.231 4.581 4.350 0.000 0.000 0.295 105 T C -1.012 173.508 174.700 -0.300 0.000 0.936 105 T CA -0.158 61.805 62.100 -0.228 0.000 1.060 105 T CB -0.161 68.657 68.868 -0.084 0.000 0.904 105 T HN 0.280 nan 8.240 nan 0.000 0.500 106 Y N 3.032 123.298 120.300 -0.057 0.000 2.576 106 Y HA 0.501 5.051 4.550 0.000 0.000 0.346 106 Y C -2.151 173.617 175.900 -0.221 0.000 1.018 106 Y CA -2.674 55.375 58.100 -0.084 0.000 1.050 106 Y CB 1.378 39.835 38.460 -0.005 0.000 1.280 106 Y HN 0.411 nan 8.280 nan 0.000 0.474 107 P HA 0.070 nan 4.420 nan 0.000 0.278 107 P C -0.652 176.537 177.300 -0.186 0.000 1.266 107 P CA -0.336 62.667 63.100 -0.161 0.000 0.807 107 P CB 1.065 32.737 31.700 -0.046 0.000 1.094 108 D N 0.625 120.878 120.400 -0.245 0.000 2.545 108 D HA 0.034 4.674 4.640 0.000 0.000 0.227 108 D C 0.026 176.287 176.300 -0.066 0.000 1.150 108 D CA 0.508 54.433 54.000 -0.125 0.000 1.046 108 D CB -0.527 40.292 40.800 0.031 0.000 1.098 108 D HN 0.196 nan 8.370 nan 0.000 0.502 109 Q N 0.666 120.397 119.800 -0.114 0.000 2.088 109 Q HA 0.154 4.494 4.340 0.000 0.000 0.270 109 Q C -0.195 175.659 176.000 -0.244 0.000 0.854 109 Q CA -0.371 55.340 55.803 -0.154 0.000 1.104 109 Q CB 0.583 29.243 28.738 -0.130 0.000 1.251 109 Q HN 0.150 nan 8.270 nan 0.000 0.436 110 S N 0.727 116.234 115.700 -0.321 0.000 3.559 110 S HA -0.183 4.287 4.470 0.000 0.000 0.369 110 S C 0.729 175.112 174.600 -0.362 0.000 0.987 110 S CA 0.442 58.339 58.200 -0.505 0.000 1.187 110 S CB -1.088 61.712 63.200 -0.666 0.000 0.914 110 S HN 0.531 nan 8.310 nan 0.000 0.480 111 L N -0.676 120.305 121.223 -0.403 0.000 2.416 111 L HA 0.169 4.509 4.340 0.000 0.000 0.216 111 L C 1.168 177.805 176.870 -0.389 0.000 1.098 111 L CA 0.272 54.812 54.840 -0.499 0.000 0.840 111 L CB -0.043 41.453 42.059 -0.939 0.000 0.981 111 L HN 0.688 nan 8.230 nan 0.000 0.462 112 Y N -0.719 119.531 120.300 -0.083 0.000 2.298 112 Y HA 0.505 5.055 4.550 0.000 0.000 0.329 112 Y C -2.410 173.518 175.900 0.046 0.000 1.293 112 Y CA -4.087 54.075 58.100 0.104 0.000 1.388 112 Y CB -1.370 37.218 38.460 0.213 0.000 1.309 112 Y HN -0.197 nan 8.280 nan 0.000 0.544 113 P HA 0.098 nan 4.420 nan 0.000 0.264 113 P C 0.074 177.313 177.300 -0.102 0.000 1.193 113 P CA 0.598 63.726 63.100 0.046 0.000 0.763 113 P CB 0.995 32.736 31.700 0.069 0.000 0.810 114 A N 3.826 126.363 122.820 -0.472 0.000 2.186 114 A HA -0.180 4.140 4.320 0.000 0.000 0.219 114 A C 1.388 178.740 177.584 -0.386 0.000 1.159 114 A CA 1.389 52.882 52.037 -0.907 0.000 0.680 114 A CB -0.972 17.487 19.000 -0.901 0.000 0.787 114 A HN 0.682 nan 8.150 nan 0.000 0.467 115 N N -0.834 117.767 118.700 -0.166 0.000 2.268 115 N HA 0.072 4.812 4.740 0.000 0.000 0.204 115 N C 0.802 176.284 175.510 -0.048 0.000 1.124 115 N CA 0.771 53.771 53.050 -0.083 0.000 0.838 115 N CB -0.313 38.143 38.487 -0.053 0.000 0.994 115 N HN 0.178 nan 8.380 nan 0.000 0.489 116 S N 0.163 115.851 115.700 -0.020 0.000 2.355 116 S HA -0.022 4.448 4.470 0.000 0.000 0.222 116 S C 1.932 176.476 174.600 -0.093 0.000 1.031 116 S CA 0.721 58.882 58.200 -0.065 0.000 0.993 116 S CB -0.131 62.966 63.200 -0.171 0.000 0.859 116 S HN 0.181 nan 8.310 nan 0.000 0.453 117 V N 2.788 122.675 119.914 -0.046 0.000 2.358 117 V HA -0.077 4.043 4.120 0.000 0.000 0.246 117 V C -0.814 175.246 176.094 -0.056 0.000 1.047 117 V CA 1.629 63.894 62.300 -0.059 0.000 1.035 117 V CB -1.645 30.168 31.823 -0.016 0.000 0.658 117 V HN 0.307 nan 8.190 nan 0.000 0.452 118 P HA -0.174 nan 4.420 nan 0.000 0.216 118 P C 1.805 179.083 177.300 -0.036 0.000 1.153 118 P CA 1.291 64.368 63.100 -0.038 0.000 0.858 118 P CB -0.076 31.605 31.700 -0.031 0.000 0.789 119 Q N -0.772 119.005 119.800 -0.038 0.000 2.170 119 Q HA -0.072 4.268 4.340 0.000 0.000 0.203 119 Q C 2.101 178.080 176.000 -0.035 0.000 0.976 119 Q CA 1.127 56.910 55.803 -0.033 0.000 0.858 119 Q CB -0.984 27.733 28.738 -0.036 0.000 0.907 119 Q HN 0.185 nan 8.270 nan 0.000 0.433 120 V N 0.013 119.898 119.914 -0.048 0.000 2.719 120 V HA -0.137 3.983 4.120 0.000 0.000 0.252 120 V C 2.350 178.425 176.094 -0.032 0.000 1.065 120 V CA 0.808 63.081 62.300 -0.044 0.000 1.086 120 V CB -0.245 31.541 31.823 -0.061 0.000 0.700 120 V HN 0.070 nan 8.190 nan 0.000 0.467 121 V N 0.309 120.200 119.914 -0.037 0.000 2.358 121 V HA -0.220 3.900 4.120 0.000 0.000 0.246 121 V C 2.622 178.709 176.094 -0.011 0.000 1.047 121 V CA 2.199 64.482 62.300 -0.028 0.000 1.035 121 V CB -0.675 31.126 31.823 -0.036 0.000 0.658 121 V HN 0.495 nan 8.190 nan 0.000 0.452 122 R N 0.825 121.318 120.500 -0.012 0.000 2.092 122 R HA -0.158 4.182 4.340 0.000 0.000 0.231 122 R C 2.264 178.565 176.300 0.001 0.000 1.119 122 R CA 1.649 57.748 56.100 -0.001 0.000 0.970 122 R CB -0.559 29.740 30.300 -0.002 0.000 0.864 122 R HN 0.391 nan 8.270 nan 0.000 0.440 123 R N 0.638 121.136 120.500 -0.005 0.000 2.073 123 R HA 0.016 4.357 4.340 0.000 0.000 0.234 123 R C 2.021 178.324 176.300 0.004 0.000 1.134 123 R CA 1.976 58.074 56.100 -0.003 0.000 0.952 123 R CB -0.789 29.506 30.300 -0.009 0.000 0.850 123 R HN 0.420 nan 8.270 nan 0.000 0.433 124 I N 0.714 121.290 120.570 0.009 0.000 2.226 124 I HA -0.271 3.899 4.170 0.000 0.000 0.245 124 I C 1.797 177.932 176.117 0.030 0.000 1.100 124 I CA 1.294 62.608 61.300 0.024 0.000 1.374 124 I CB -0.421 37.595 38.000 0.027 0.000 1.057 124 I HN 0.257 nan 8.210 nan 0.000 0.413 125 N N 1.031 119.746 118.700 0.026 0.000 2.120 125 N HA -0.162 4.578 4.740 0.000 0.000 0.188 125 N C 1.580 177.100 175.510 0.016 0.000 1.024 125 N CA 1.230 54.298 53.050 0.031 0.000 0.852 125 N CB -0.506 37.998 38.487 0.029 0.000 1.003 125 N HN 0.332 nan 8.380 nan 0.000 0.424 126 N N 1.196 119.900 118.700 0.008 0.000 2.104 126 N HA -0.094 4.646 4.740 0.000 0.000 0.190 126 N C 1.636 177.132 175.510 -0.024 0.000 1.024 126 N CA 1.234 54.282 53.050 -0.004 0.000 0.853 126 N CB -0.459 38.029 38.487 0.002 0.000 1.008 126 N HN 0.242 nan 8.380 nan 0.000 0.424 127 A N 0.958 123.769 122.820 -0.015 0.000 1.898 127 A HA -0.012 4.308 4.320 0.000 0.000 0.216 127 A C 2.362 179.910 177.584 -0.060 0.000 1.181 127 A CA 0.835 52.852 52.037 -0.033 0.000 0.620 127 A CB -0.678 18.318 19.000 -0.006 0.000 0.819 127 A HN 0.216 nan 8.150 nan 0.000 0.442 128 L N -0.900 120.319 121.223 -0.007 0.000 2.093 128 L HA -0.229 4.111 4.340 0.000 0.000 0.208 128 L C 2.839 179.674 176.870 -0.059 0.000 1.085 128 L CA 1.368 56.225 54.840 0.028 0.000 0.755 128 L CB -0.561 41.575 42.059 0.129 0.000 0.904 128 L HN 0.489 nan 8.230 nan 0.000 0.435 129 Q N -0.507 119.257 119.800 -0.060 0.000 2.119 129 Q HA -0.229 4.111 4.340 0.000 0.000 0.201 129 Q C 2.283 178.147 176.000 -0.228 0.000 0.972 129 Q CA 1.192 56.933 55.803 -0.103 0.000 0.847 129 Q CB -0.063 28.636 28.738 -0.065 0.000 0.903 129 Q HN 0.216 nan 8.270 nan 0.000 0.433 130 R N 0.945 121.306 120.500 -0.232 0.000 2.081 130 R HA -0.108 4.233 4.340 0.000 0.000 0.235 130 R C 1.947 177.989 176.300 -0.431 0.000 1.131 130 R CA 1.696 57.605 56.100 -0.319 0.000 0.960 130 R CB -0.710 29.478 30.300 -0.186 0.000 0.856 130 R HN 0.254 nan 8.270 nan 0.000 0.436 131 A N 0.087 122.611 122.820 -0.493 0.000 1.933 131 A HA -0.181 4.140 4.320 0.000 0.000 0.218 131 A C 1.949 178.897 177.584 -1.061 0.000 1.175 131 A CA 1.908 53.427 52.037 -0.865 0.000 0.628 131 A CB -0.827 17.416 19.000 -1.260 0.000 0.814 131 A HN 0.528 nan 8.150 nan 0.000 0.444 132 D N -0.683 119.259 120.400 -0.763 0.000 2.117 132 D HA -0.182 4.458 4.640 0.000 0.000 0.197 132 D C 2.089 178.210 176.300 -0.299 0.000 0.987 132 D CA 1.744 55.487 54.000 -0.428 0.000 0.829 132 D CB -0.215 40.538 40.800 -0.079 0.000 0.961 132 D HN 0.586 nan 8.370 nan 0.000 0.460 133 Q N -0.343 119.237 119.800 -0.366 0.000 2.084 133 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 133 Q C 2.473 178.299 176.000 -0.289 0.000 0.978 133 Q CA 1.250 56.815 55.803 -0.396 0.000 0.844 133 Q CB -0.056 28.151 28.738 -0.885 0.000 0.898 133 Q HN 0.437 nan 8.270 nan 0.000 0.426 134 I N 0.453 120.820 120.570 -0.338 0.000 2.202 134 I HA -0.267 3.903 4.170 0.000 0.000 0.242 134 I C 2.439 178.488 176.117 -0.112 0.000 1.091 134 I CA 0.899 62.091 61.300 -0.180 0.000 1.368 134 I CB -0.462 37.408 38.000 -0.217 0.000 1.058 134 I HN 0.175 nan 8.210 nan 0.000 0.410 135 A N 0.722 123.440 122.820 -0.170 0.000 1.917 135 A HA -0.302 4.018 4.320 0.000 0.000 0.219 135 A C 2.384 179.988 177.584 0.033 0.000 1.182 135 A CA 2.164 54.193 52.037 -0.014 0.000 0.633 135 A CB -0.617 18.454 19.000 0.118 0.000 0.819 135 A HN 0.375 nan 8.150 nan 0.000 0.448 136 K N 0.079 120.485 120.400 0.010 0.000 2.057 136 K HA -0.125 4.195 4.320 0.000 0.000 0.207 136 K C 1.875 178.498 176.600 0.038 0.000 1.049 136 K CA 1.727 58.035 56.287 0.036 0.000 0.931 136 K CB -0.406 32.111 32.500 0.029 0.000 0.714 136 K HN 0.708 nan 8.250 nan 0.000 0.440 137 I N -2.180 118.414 120.570 0.041 0.000 2.761 137 I HA -0.067 4.103 4.170 0.000 0.000 0.261 137 I C 1.005 177.142 176.117 0.034 0.000 1.198 137 I CA 1.137 62.464 61.300 0.046 0.000 1.482 137 I CB -0.112 37.931 38.000 0.072 0.000 1.100 137 I HN 0.045 nan 8.210 nan 0.000 0.445 138 E N 1.659 121.878 120.200 0.032 0.000 2.479 138 E HA 0.155 4.505 4.350 0.000 0.000 0.193 138 E C 1.212 177.835 176.600 0.040 0.000 1.049 138 E CA 0.366 56.785 56.400 0.032 0.000 0.870 138 E CB 0.220 29.937 29.700 0.028 0.000 0.944 138 E HN 0.685 nan 8.360 nan 0.000 0.492 139 G N 3.205 112.031 108.800 0.044 0.000 2.323 139 G HA2 -0.263 3.697 3.960 0.000 0.000 0.292 139 G HA3 -0.263 3.697 3.960 0.000 0.000 0.292 139 G C -0.414 174.523 174.900 0.060 0.000 1.040 139 G CA 0.618 45.747 45.100 0.048 0.000 0.942 139 G HN 0.255 nan 8.290 nan 0.000 0.506 140 D N 0.148 120.597 120.400 0.082 0.000 2.313 140 D HA 0.480 5.120 4.640 0.000 0.000 0.239 140 D C 1.589 177.967 176.300 0.130 0.000 1.142 140 D CA 0.220 54.284 54.000 0.107 0.000 0.847 140 D CB 0.660 41.542 40.800 0.137 0.000 1.082 140 D HN 0.234 nan 8.370 nan 0.000 0.480 141 T N -0.147 114.460 114.554 0.088 0.000 3.145 141 T HA 0.025 4.375 4.350 0.000 0.000 0.255 141 T C 1.661 176.383 174.700 0.036 0.000 1.039 141 T CA 0.138 62.277 62.100 0.066 0.000 0.928 141 T CB 0.061 68.953 68.868 0.039 0.000 1.029 141 T HN 0.198 nan 8.240 nan 0.000 0.554 142 S N 0.829 116.564 115.700 0.058 0.000 2.402 142 S HA -0.038 4.432 4.470 0.000 0.000 0.233 142 S C 0.673 175.225 174.600 -0.080 0.000 1.030 142 S CA 0.643 58.854 58.200 0.018 0.000 1.003 142 S CB -0.337 62.906 63.200 0.070 0.000 0.813 142 S HN 0.438 nan 8.310 nan 0.000 0.477 143 V N 2.823 122.649 119.914 -0.147 0.000 2.487 143 V HA 0.347 4.467 4.120 0.000 0.000 0.298 143 V C 0.733 176.639 176.094 -0.314 0.000 1.028 143 V CA -0.478 61.568 62.300 -0.424 0.000 0.860 143 V CB 1.940 33.065 31.823 -1.163 0.000 0.991 143 V HN 0.466 nan 8.190 nan 0.000 0.427 144 E N 3.527 123.582 120.200 -0.240 0.000 2.158 144 E HA -0.083 4.267 4.350 0.000 0.000 0.191 144 E C 0.553 177.084 176.600 -0.115 0.000 0.982 144 E CA 0.786 57.109 56.400 -0.129 0.000 0.823 144 E CB 0.177 29.823 29.700 -0.090 0.000 0.766 144 E HN 0.670 nan 8.360 nan 0.000 0.468 145 N N -0.729 117.856 118.700 -0.191 0.000 2.577 145 N HA 0.132 4.872 4.740 0.000 0.000 0.275 145 N C -0.772 174.662 175.510 -0.128 0.000 1.091 145 N CA -0.455 52.541 53.050 -0.091 0.000 0.843 145 N CB 0.426 38.887 38.487 -0.043 0.000 1.295 145 N HN -0.030 nan 8.380 nan 0.000 0.530 146 W N 2.491 123.797 121.300 0.009 0.000 2.476 146 W HA 0.164 4.824 4.660 0.000 0.000 0.281 146 W C 0.913 177.439 176.519 0.012 0.000 1.230 146 W CA 0.086 57.435 57.345 0.007 0.000 1.287 146 W CB 0.364 29.820 29.460 -0.006 0.000 1.108 146 W HN 0.412 nan 8.180 nan 0.000 0.567 147 L N 1.811 123.171 121.223 0.227 0.000 2.437 147 L HA 0.257 4.597 4.340 0.000 0.000 0.243 147 L C 0.832 177.764 176.870 0.104 0.000 1.346 147 L CA -0.837 54.092 54.840 0.149 0.000 1.233 147 L CB -1.107 41.021 42.059 0.116 0.000 1.436 147 L HN -0.168 nan 8.230 nan 0.000 0.416 148 A N 3.435 126.317 122.820 0.102 0.000 2.445 148 A HA 0.390 4.710 4.320 0.000 0.000 0.242 148 A C -2.050 175.585 177.584 0.084 0.000 1.075 148 A CA -0.950 51.133 52.037 0.078 0.000 0.777 148 A CB -0.290 18.756 19.000 0.077 0.000 1.013 148 A HN 0.278 nan 8.150 nan 0.000 0.493 149 P HA 0.272 nan 4.420 nan 0.000 0.271 149 P C -0.864 176.481 177.300 0.076 0.000 1.216 149 P CA 0.282 63.426 63.100 0.073 0.000 0.776 149 P CB 0.601 32.343 31.700 0.070 0.000 0.881 150 I N 2.327 122.928 120.570 0.051 0.000 2.377 150 I HA 0.256 4.427 4.170 0.000 0.000 0.293 150 I C 0.070 176.186 176.117 -0.002 0.000 0.987 150 I CA -1.019 60.305 61.300 0.039 0.000 1.185 150 I CB 1.951 39.962 38.000 0.017 0.000 1.341 150 I HN 0.012 nan 8.210 nan 0.000 0.455 151 V N 6.014 125.927 119.914 -0.002 0.000 2.347 151 V HA 0.674 4.794 4.120 0.000 0.000 0.280 151 V C 0.256 176.285 176.094 -0.110 0.000 1.021 151 V CA -0.371 61.889 62.300 -0.066 0.000 0.847 151 V CB 1.309 33.021 31.823 -0.184 0.000 0.990 151 V HN 0.842 nan 8.190 nan 0.000 0.444 152 A N 3.443 126.169 122.820 -0.156 0.000 2.337 152 A HA 0.664 4.984 4.320 0.000 0.000 0.331 152 A C -0.479 176.826 177.584 -0.465 0.000 1.137 152 A CA -0.606 51.262 52.037 -0.281 0.000 0.807 152 A CB 1.131 20.008 19.000 -0.205 0.000 1.250 152 A HN 0.702 nan 8.150 nan 0.000 0.468 153 D N 1.311 121.389 120.400 -0.535 0.000 2.339 153 D HA 0.358 4.998 4.640 0.000 0.000 0.256 153 D C 1.094 177.032 176.300 -0.604 0.000 1.214 153 D CA 0.767 54.291 54.000 -0.793 0.000 0.877 153 D CB 1.155 41.797 40.800 -0.263 0.000 1.111 153 D HN 0.529 nan 8.370 nan 0.000 0.478 154 G N 3.229 111.466 108.800 -0.939 0.000 3.088 154 G HA2 0.030 3.990 3.960 0.000 0.000 0.217 154 G HA3 0.030 3.990 3.960 0.000 0.000 0.217 154 G C 0.678 175.280 174.900 -0.495 0.000 1.159 154 G CA 0.066 44.559 45.100 -1.011 0.000 0.760 154 G HN 0.674 nan 8.290 nan 0.000 0.550 155 E N -0.810 119.193 120.200 -0.329 0.000 3.374 155 E HA -0.366 3.984 4.350 0.000 0.000 0.375 155 E C 1.387 177.919 176.600 -0.114 0.000 1.535 155 E CA 1.041 57.338 56.400 -0.172 0.000 1.664 155 E CB -1.289 28.250 29.700 -0.269 0.000 1.707 155 E HN 0.459 nan 8.360 nan 0.000 0.469 156 A N 0.699 123.407 122.820 -0.188 0.000 2.460 156 A HA 0.504 4.824 4.320 0.000 0.000 0.258 156 A C 1.359 178.971 177.584 0.047 0.000 1.300 156 A CA 1.332 53.329 52.037 -0.066 0.000 0.913 156 A CB 0.281 19.181 19.000 -0.166 0.000 1.031 156 A HN 1.174 nan 8.150 nan 0.000 0.512 157 G N -1.606 107.285 108.800 0.151 0.000 2.179 157 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 157 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 157 G C 0.458 175.564 174.900 0.344 0.000 0.977 157 G CA 0.021 45.358 45.100 0.394 0.000 0.641 157 G HN 0.992 nan 8.290 nan 0.000 0.533 158 F N -1.335 118.642 119.950 0.046 0.000 3.093 158 F HA 0.001 4.529 4.527 0.000 0.000 0.287 158 F C 1.697 177.504 175.800 0.010 0.000 0.882 158 F CA 2.212 60.209 58.000 -0.006 0.000 1.063 158 F CB -1.342 37.648 39.000 -0.017 0.000 1.097 158 F HN 1.736 nan 8.300 nan 0.000 0.604 159 G N -1.375 107.490 108.800 0.109 0.000 2.384 159 G HA2 0.459 4.420 3.960 0.000 0.000 0.150 159 G HA3 0.459 4.420 3.960 0.000 0.000 0.150 159 G C 0.142 175.078 174.900 0.061 0.000 1.269 159 G CA -0.039 45.110 45.100 0.082 0.000 1.094 159 G HN 0.751 nan 8.290 nan 0.000 0.467 160 G N -0.897 107.934 108.800 0.052 0.000 2.531 160 G HA2 0.656 4.617 3.960 0.000 0.000 0.281 160 G HA3 0.656 4.617 3.960 0.000 0.000 0.281 160 G C 1.476 176.391 174.900 0.024 0.000 1.382 160 G CA 1.018 46.136 45.100 0.029 0.000 1.045 160 G HN 1.738 nan 8.290 nan 0.000 0.533 161 A N -1.036 121.780 122.820 -0.006 0.000 1.978 161 A HA -0.020 4.301 4.320 0.000 0.000 0.220 161 A C 2.312 179.898 177.584 0.004 0.000 1.170 161 A CA 1.254 53.275 52.037 -0.028 0.000 0.636 161 A CB -0.441 18.527 19.000 -0.053 0.000 0.810 161 A HN 0.440 nan 8.150 nan 0.000 0.448 162 L N -0.600 120.629 121.223 0.010 0.000 2.240 162 L HA -0.112 4.229 4.340 0.000 0.000 0.211 162 L C 2.114 179.041 176.870 0.095 0.000 1.106 162 L CA 0.800 55.656 54.840 0.026 0.000 0.793 162 L CB -0.598 41.451 42.059 -0.016 0.000 0.927 162 L HN 0.445 nan 8.230 nan 0.000 0.446 163 N N -0.145 118.611 118.700 0.093 0.000 2.216 163 N HA -0.109 4.632 4.740 0.000 0.000 0.183 163 N C 1.915 177.531 175.510 0.175 0.000 1.017 163 N CA 1.011 54.143 53.050 0.136 0.000 0.861 163 N CB 0.074 38.656 38.487 0.158 0.000 0.986 163 N HN 0.121 nan 8.380 nan 0.000 0.428 164 V N 1.159 121.150 119.914 0.129 0.000 2.261 164 V HA -0.255 3.866 4.120 0.000 0.000 0.246 164 V C 2.114 178.189 176.094 -0.031 0.000 1.047 164 V CA 1.505 63.830 62.300 0.040 0.000 1.015 164 V CB -0.731 30.987 31.823 -0.175 0.000 0.642 164 V HN 0.255 nan 8.190 nan 0.000 0.446 165 Y N 1.093 121.322 120.300 -0.118 0.000 2.114 165 Y HA -0.251 4.299 4.550 0.000 0.000 0.282 165 Y C 2.641 178.522 175.900 -0.031 0.000 1.165 165 Y CA 2.134 60.169 58.100 -0.109 0.000 1.148 165 Y CB -0.091 38.308 38.460 -0.101 0.000 0.972 165 Y HN 0.243 nan 8.280 nan 0.000 0.504 166 E N -0.117 120.207 120.200 0.208 0.000 2.106 166 E HA -0.168 4.182 4.350 0.000 0.000 0.192 166 E C 2.180 178.815 176.600 0.059 0.000 0.984 166 E CA 1.056 57.535 56.400 0.132 0.000 0.806 166 E CB -0.622 29.160 29.700 0.138 0.000 0.750 166 E HN 0.487 nan 8.360 nan 0.000 0.458 167 L N 1.362 122.660 121.223 0.126 0.000 2.027 167 L HA -0.194 4.146 4.340 0.000 0.000 0.206 167 L C 2.445 179.425 176.870 0.184 0.000 1.074 167 L CA 1.906 56.853 54.840 0.179 0.000 0.745 167 L CB -0.744 41.526 42.059 0.351 0.000 0.898 167 L HN 0.005 nan 8.230 nan 0.000 0.433 168 Q N 0.159 120.079 119.800 0.201 0.000 2.050 168 Q HA -0.276 4.064 4.340 0.000 0.000 0.202 168 Q C 2.368 178.327 176.000 -0.069 0.000 0.980 168 Q CA 2.400 58.280 55.803 0.129 0.000 0.840 168 Q CB -0.356 28.340 28.738 -0.069 0.000 0.898 168 Q HN 0.566 nan 8.270 nan 0.000 0.424 169 K N -0.756 119.520 120.400 -0.207 0.000 2.032 169 K HA -0.171 4.149 4.320 0.000 0.000 0.209 169 K C 1.897 178.417 176.600 -0.134 0.000 1.048 169 K CA 1.437 57.593 56.287 -0.219 0.000 0.927 169 K CB -0.393 31.972 32.500 -0.225 0.000 0.712 169 K HN 0.283 nan 8.250 nan 0.000 0.441 170 A N 1.166 123.946 122.820 -0.066 0.000 1.930 170 A HA -0.087 4.233 4.320 0.000 0.000 0.217 170 A C 2.116 179.666 177.584 -0.055 0.000 1.175 170 A CA 1.176 53.185 52.037 -0.047 0.000 0.627 170 A CB -0.511 18.479 19.000 -0.017 0.000 0.815 170 A HN 0.334 nan 8.150 nan 0.000 0.443 171 L N -0.727 120.476 121.223 -0.033 0.000 2.093 171 L HA -0.157 4.183 4.340 0.000 0.000 0.208 171 L C 2.441 179.271 176.870 -0.066 0.000 1.085 171 L CA 1.130 55.951 54.840 -0.032 0.000 0.755 171 L CB -0.446 41.617 42.059 0.006 0.000 0.904 171 L HN 0.371 nan 8.230 nan 0.000 0.435 172 I N -0.225 120.277 120.570 -0.113 0.000 2.202 172 I HA -0.264 3.906 4.170 0.000 0.000 0.242 172 I C 2.784 178.714 176.117 -0.313 0.000 1.091 172 I CA 1.104 62.288 61.300 -0.193 0.000 1.368 172 I CB -0.413 37.437 38.000 -0.250 0.000 1.058 172 I HN 0.184 nan 8.210 nan 0.000 0.410 173 A N 0.670 123.271 122.820 -0.364 0.000 1.978 173 A HA -0.196 4.124 4.320 0.000 0.000 0.220 173 A C 2.383 179.932 177.584 -0.059 0.000 1.170 173 A CA 1.962 53.841 52.037 -0.264 0.000 0.636 173 A CB -0.735 18.202 19.000 -0.105 0.000 0.810 173 A HN 0.458 nan 8.150 nan 0.000 0.448 174 A N -2.073 120.713 122.820 -0.056 0.000 2.208 174 A HA 0.410 4.730 4.320 0.000 0.000 0.209 174 A C 1.690 179.272 177.584 -0.003 0.000 1.161 174 A CA 1.240 53.267 52.037 -0.017 0.000 0.782 174 A CB -0.762 18.224 19.000 -0.023 0.000 0.816 174 A HN 1.955 nan 8.150 nan 0.000 0.477 175 G N -1.305 107.488 108.800 -0.012 0.000 2.141 175 G HA2 -0.101 3.859 3.960 0.000 0.000 0.195 175 G HA3 -0.101 3.859 3.960 0.000 0.000 0.195 175 G C 0.184 175.091 174.900 0.012 0.000 1.012 175 G CA 0.083 45.193 45.100 0.015 0.000 0.696 175 G HN 0.987 nan 8.290 nan 0.000 0.508 176 V N 0.098 120.007 119.914 -0.007 0.000 3.051 176 V HA 0.620 4.740 4.120 0.000 0.000 0.306 176 V C 1.485 177.589 176.094 0.017 0.000 1.083 176 V CA 1.198 63.496 62.300 -0.002 0.000 1.104 176 V CB 1.489 33.302 31.823 -0.016 0.000 1.027 176 V HN 1.182 nan 8.190 nan 0.000 0.483 177 A N 3.732 126.563 122.820 0.019 0.000 1.993 177 A HA 0.661 4.981 4.320 0.000 0.000 0.207 177 A C 0.860 178.463 177.584 0.033 0.000 1.224 177 A CA 0.755 52.813 52.037 0.034 0.000 0.749 177 A CB -0.028 18.994 19.000 0.036 0.000 0.884 177 A HN 1.288 nan 8.150 nan 0.000 0.467 178 G N -0.756 108.048 108.800 0.008 0.000 2.696 178 G HA2 0.525 4.485 3.960 0.000 0.000 0.295 178 G HA3 0.525 4.485 3.960 0.000 0.000 0.295 178 G C -0.901 174.009 174.900 0.017 0.000 1.398 178 G CA 0.305 45.418 45.100 0.021 0.000 0.920 178 G HN 0.901 nan 8.290 nan 0.000 0.492 179 S N -0.145 115.611 115.700 0.094 0.000 2.546 179 S HA 0.757 5.227 4.470 0.000 0.000 0.274 179 S C -0.817 173.812 174.600 0.049 0.000 1.121 179 S CA -0.969 57.230 58.200 -0.003 0.000 0.887 179 S CB 1.722 64.966 63.200 0.072 0.000 1.094 179 S HN 1.186 nan 8.310 nan 0.000 0.474 180 H N -0.451 118.437 119.070 -0.303 0.000 2.569 180 H HA 0.709 5.265 4.556 0.000 0.000 0.357 180 H C -2.136 172.822 175.328 -0.617 0.000 1.153 180 H CA -1.016 54.944 56.048 -0.148 0.000 1.193 180 H CB 1.241 31.154 29.762 0.250 0.000 1.602 180 H HN 0.702 nan 8.280 nan 0.000 0.523 181 W N 2.223 123.728 121.300 0.341 0.000 2.957 181 W HA 0.263 4.923 4.660 0.000 0.000 0.336 181 W C -0.643 176.011 176.519 0.226 0.000 1.087 181 W CA -0.730 56.754 57.345 0.232 0.000 1.235 181 W CB 1.770 31.317 29.460 0.144 0.000 1.399 181 W HN 0.670 nan 8.180 nan 0.000 0.480 182 E N 0.849 121.165 120.200 0.193 0.000 2.235 182 E HA 0.298 4.648 4.350 0.000 0.000 0.265 182 E C -0.211 176.092 176.600 -0.495 0.000 0.940 182 E CA -0.729 55.553 56.400 -0.197 0.000 0.819 182 E CB 1.847 31.404 29.700 -0.239 0.000 1.206 182 E HN 0.430 nan 8.360 nan 0.000 0.409 183 D N 1.759 121.670 120.400 -0.816 0.000 2.870 183 D HA 0.028 4.668 4.640 0.000 0.000 0.241 183 D C -0.344 175.779 176.300 -0.294 0.000 1.234 183 D CA -0.085 53.489 54.000 -0.711 0.000 0.844 183 D CB -0.069 40.398 40.800 -0.554 0.000 1.051 183 D HN 0.319 nan 8.370 nan 0.000 0.469 184 Q N -0.297 119.363 119.800 -0.235 0.000 2.248 184 Q HA 0.413 4.754 4.340 0.000 0.000 0.263 184 Q C -0.633 175.285 176.000 -0.137 0.000 1.007 184 Q CA -1.447 54.248 55.803 -0.181 0.000 0.877 184 Q CB 2.223 30.846 28.738 -0.191 0.000 1.315 184 Q HN 0.213 nan 8.270 nan 0.000 0.454 185 L N 1.410 122.549 121.223 -0.139 0.000 2.433 185 L HA 0.187 4.527 4.340 0.000 0.000 0.275 185 L C 0.745 177.544 176.870 -0.117 0.000 1.128 185 L CA 0.641 55.420 54.840 -0.102 0.000 0.875 185 L CB 0.418 42.410 42.059 -0.112 0.000 1.171 185 L HN 0.863 nan 8.230 nan 0.000 0.463 186 A N 3.368 126.125 122.820 -0.105 0.000 1.917 186 A HA -0.222 4.098 4.320 0.000 0.000 0.219 186 A C 2.150 179.639 177.584 -0.158 0.000 1.182 186 A CA 2.134 54.071 52.037 -0.167 0.000 0.633 186 A CB -0.993 17.921 19.000 -0.143 0.000 0.819 186 A HN 1.019 nan 8.150 nan 0.000 0.448 187 S N -1.097 114.552 115.700 -0.084 0.000 2.474 187 S HA -0.056 4.415 4.470 0.000 0.000 0.235 187 S C 0.923 175.485 174.600 -0.065 0.000 0.997 187 S CA 1.302 59.466 58.200 -0.059 0.000 0.949 187 S CB -0.042 63.157 63.200 -0.002 0.000 0.766 187 S HN 0.514 nan 8.310 nan 0.000 0.517 188 E N 0.623 120.770 120.200 -0.088 0.000 2.693 188 E HA 0.251 4.602 4.350 0.000 0.000 0.214 188 E C -0.066 176.452 176.600 -0.137 0.000 0.990 188 E CA -0.222 56.119 56.400 -0.098 0.000 1.047 188 E CB 0.263 29.893 29.700 -0.116 0.000 1.039 188 E HN 0.388 nan 8.360 nan 0.000 0.475 189 K N 2.228 122.529 120.400 -0.165 0.000 2.559 189 K HA -0.055 4.265 4.320 0.000 0.000 0.279 189 K C -0.101 176.413 176.600 -0.143 0.000 0.967 189 K CA 0.709 56.887 56.287 -0.180 0.000 1.000 189 K CB 0.459 32.810 32.500 -0.248 0.000 0.890 189 K HN -0.219 nan 8.250 nan 0.000 0.501 190 K N 2.021 122.347 120.400 -0.123 0.000 2.508 190 K HA 0.152 4.472 4.320 0.000 0.000 0.260 190 K C -0.662 175.911 176.600 -0.045 0.000 0.949 190 K CA -0.662 55.580 56.287 -0.075 0.000 0.834 190 K CB 1.332 33.787 32.500 -0.075 0.000 1.365 190 K HN 0.852 nan 8.250 nan 0.000 0.437 191 C N 0.774 120.095 119.300 0.035 0.000 2.679 191 C HA 0.229 4.689 4.460 0.000 0.000 0.417 191 C C 2.114 177.069 174.990 -0.059 0.000 1.302 191 C CA 0.693 59.770 59.018 0.097 0.000 1.973 191 C CB -0.651 27.252 27.740 0.272 0.000 2.715 191 C HN 0.947 nan 8.230 nan 0.000 0.628 192 G N 1.623 110.309 108.800 -0.191 0.000 2.501 192 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 192 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 192 G C 0.904 175.475 174.900 -0.549 0.000 1.114 192 G CA 1.024 45.862 45.100 -0.436 0.000 0.757 192 G HN 0.993 nan 8.290 nan 0.000 0.559 193 H N -1.176 117.863 119.070 -0.053 0.000 2.505 193 H HA 0.475 5.032 4.556 0.000 0.000 0.286 193 H C 0.359 175.676 175.328 -0.019 0.000 1.072 193 H CA -0.573 55.439 56.048 -0.060 0.000 1.141 193 H CB 0.478 30.154 29.762 -0.143 0.000 1.550 193 H HN 0.154 nan 8.280 nan 0.000 0.547 194 L N -0.194 121.057 121.223 0.047 0.000 2.332 194 L HA 0.530 4.871 4.340 0.000 0.000 0.269 194 L C 1.065 177.937 176.870 0.004 0.000 1.016 194 L CA -1.063 53.804 54.840 0.045 0.000 0.809 194 L CB 1.602 43.692 42.059 0.051 0.000 1.280 194 L HN 0.252 nan 8.230 nan 0.000 0.447 195 G N -1.280 107.524 108.800 0.006 0.000 2.537 195 G HA2 0.455 4.415 3.960 0.000 0.000 0.297 195 G HA3 0.455 4.415 3.960 0.000 0.000 0.297 195 G C 0.561 175.444 174.900 -0.028 0.000 1.310 195 G CA -0.012 45.081 45.100 -0.011 0.000 1.027 195 G HN 0.997 nan 8.290 nan 0.000 0.505 196 G N -1.395 107.384 108.800 -0.036 0.000 2.147 196 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 196 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 196 G C 0.304 175.146 174.900 -0.096 0.000 1.005 196 G CA 0.558 45.629 45.100 -0.049 0.000 0.713 196 G HN 0.677 nan 8.290 nan 0.000 0.515 197 K N -0.122 120.211 120.400 -0.112 0.000 2.249 197 K HA 0.539 4.859 4.320 0.000 0.000 0.280 197 K C -0.057 176.422 176.600 -0.202 0.000 1.033 197 K CA -0.494 55.701 56.287 -0.153 0.000 0.946 197 K CB 2.226 34.639 32.500 -0.145 0.000 1.005 197 K HN 0.058 nan 8.250 nan 0.000 0.469 198 V N 5.067 124.824 119.914 -0.261 0.000 2.444 198 V HA 0.287 4.407 4.120 0.000 0.000 0.294 198 V C -0.026 175.921 176.094 -0.245 0.000 1.022 198 V CA -0.895 61.196 62.300 -0.348 0.000 0.850 198 V CB 1.176 32.617 31.823 -0.636 0.000 0.992 198 V HN 0.623 nan 8.190 nan 0.000 0.426 199 L N 5.074 126.187 121.223 -0.183 0.000 2.456 199 L HA 0.602 4.942 4.340 0.000 0.000 0.257 199 L C -0.171 176.646 176.870 -0.090 0.000 1.162 199 L CA -0.519 54.242 54.840 -0.131 0.000 0.808 199 L CB 1.223 43.224 42.059 -0.096 0.000 1.136 199 L HN 0.593 nan 8.230 nan 0.000 0.466 200 I N -1.412 119.123 120.570 -0.058 0.000 2.863 200 I HA 0.612 4.782 4.170 0.000 0.000 0.311 200 I C -2.574 173.557 176.117 0.024 0.000 1.026 200 I CA -2.964 58.330 61.300 -0.010 0.000 1.077 200 I CB 0.190 38.190 38.000 -0.001 0.000 1.262 200 I HN 0.233 nan 8.210 nan 0.000 0.461 201 P HA 0.065 nan 4.420 nan 0.000 0.266 201 P C 0.567 177.926 177.300 0.098 0.000 1.193 201 P CA 0.184 63.312 63.100 0.048 0.000 0.770 201 P CB 0.323 32.039 31.700 0.027 0.000 0.836 202 T N 0.886 115.512 114.554 0.119 0.000 2.699 202 T HA -0.228 4.122 4.350 0.000 0.000 0.268 202 T C 1.684 176.501 174.700 0.196 0.000 1.036 202 T CA 1.635 63.861 62.100 0.210 0.000 1.147 202 T CB -0.435 68.516 68.868 0.138 0.000 0.862 202 T HN 0.477 nan 8.240 nan 0.000 0.446 203 Q N 1.045 120.900 119.800 0.092 0.000 2.170 203 Q HA -0.069 4.271 4.340 0.000 0.000 0.203 203 Q C 2.169 178.166 176.000 -0.006 0.000 0.976 203 Q CA 1.592 57.411 55.803 0.027 0.000 0.858 203 Q CB -0.363 28.381 28.738 0.011 0.000 0.907 203 Q HN 0.636 nan 8.270 nan 0.000 0.433 204 Q N -1.349 118.468 119.800 0.028 0.000 2.119 204 Q HA -0.202 4.138 4.340 0.000 0.000 0.201 204 Q C 1.919 177.920 176.000 0.002 0.000 0.972 204 Q CA 1.258 57.066 55.803 0.009 0.000 0.847 204 Q CB -0.181 28.575 28.738 0.030 0.000 0.903 204 Q HN 0.656 nan 8.270 nan 0.000 0.433 205 H N -0.279 118.748 119.070 -0.072 0.000 2.428 205 H HA -0.036 4.520 4.556 0.000 0.000 0.296 205 H C 1.951 177.106 175.328 -0.288 0.000 1.062 205 H CA 1.061 56.997 56.048 -0.187 0.000 1.350 205 H CB 0.238 29.831 29.762 -0.283 0.000 1.403 205 H HN 0.307 nan 8.280 nan 0.000 0.533 206 I N 0.404 120.803 120.570 -0.285 0.000 2.286 206 I HA -0.268 3.902 4.170 0.000 0.000 0.248 206 I C 2.634 178.453 176.117 -0.495 0.000 1.115 206 I CA 0.951 61.943 61.300 -0.513 0.000 1.392 206 I CB -0.181 37.523 38.000 -0.494 0.000 1.065 206 I HN 0.216 nan 8.210 nan 0.000 0.418 207 R N -0.022 120.294 120.500 -0.306 0.000 2.081 207 R HA -0.131 4.209 4.340 0.000 0.000 0.235 207 R C 2.311 178.456 176.300 -0.258 0.000 1.131 207 R CA 1.870 57.833 56.100 -0.229 0.000 0.960 207 R CB -0.568 29.653 30.300 -0.131 0.000 0.856 207 R HN 0.332 nan 8.270 nan 0.000 0.436 208 T N 1.598 115.969 114.554 -0.304 0.000 2.777 208 T HA -0.057 4.294 4.350 0.000 0.000 0.266 208 T C 1.866 176.259 174.700 -0.513 0.000 1.040 208 T CA 0.971 62.858 62.100 -0.354 0.000 1.141 208 T CB -0.072 68.638 68.868 -0.264 0.000 0.868 208 T HN 0.135 nan 8.240 nan 0.000 0.444 209 L N 0.554 121.438 121.223 -0.565 0.000 2.141 209 L HA -0.076 4.264 4.340 0.000 0.000 0.209 209 L C 2.860 179.554 176.870 -0.294 0.000 1.094 209 L CA 1.031 55.594 54.840 -0.462 0.000 0.763 209 L CB -0.911 40.910 42.059 -0.397 0.000 0.908 209 L HN 0.265 nan 8.230 nan 0.000 0.437 210 T N -1.337 113.061 114.554 -0.260 0.000 2.777 210 T HA -0.188 4.162 4.350 0.000 0.000 0.266 210 T C 2.173 176.844 174.700 -0.049 0.000 1.040 210 T CA 1.697 63.751 62.100 -0.077 0.000 1.141 210 T CB -0.084 68.738 68.868 -0.077 0.000 0.868 210 T HN 0.262 nan 8.240 nan 0.000 0.444 211 S N 0.889 116.497 115.700 -0.152 0.000 2.368 211 S HA -0.070 4.400 4.470 0.000 0.000 0.225 211 S C 2.354 176.831 174.600 -0.205 0.000 1.030 211 S CA 1.318 59.447 58.200 -0.118 0.000 0.999 211 S CB -0.473 62.646 63.200 -0.135 0.000 0.844 211 S HN 0.509 nan 8.310 nan 0.000 0.459 212 A N 1.270 123.838 122.820 -0.420 0.000 1.930 212 A HA -0.008 4.312 4.320 0.000 0.000 0.217 212 A C 2.120 179.560 177.584 -0.240 0.000 1.175 212 A CA 1.770 53.496 52.037 -0.519 0.000 0.627 212 A CB -0.631 17.796 19.000 -0.955 0.000 0.815 212 A HN 0.527 nan 8.150 nan 0.000 0.443 213 R N -0.511 119.906 120.500 -0.138 0.000 2.073 213 R HA -0.031 4.310 4.340 0.000 0.000 0.229 213 R C 1.906 178.208 176.300 0.003 0.000 1.120 213 R CA 1.499 57.577 56.100 -0.038 0.000 0.967 213 R CB -0.824 29.474 30.300 -0.004 0.000 0.862 213 R HN 0.408 nan 8.270 nan 0.000 0.436 214 L N 0.347 121.577 121.223 0.012 0.000 2.012 214 L HA -0.035 4.305 4.340 0.000 0.000 0.210 214 L C 2.104 178.950 176.870 -0.040 0.000 1.073 214 L CA 2.330 57.101 54.840 -0.114 0.000 0.748 214 L CB -0.982 40.897 42.059 -0.300 0.000 0.891 214 L HN 0.271 nan 8.230 nan 0.000 0.431 215 A N -0.590 122.128 122.820 -0.170 0.000 1.940 215 A HA -0.121 4.199 4.320 0.000 0.000 0.219 215 A C 2.441 179.892 177.584 -0.221 0.000 1.176 215 A CA 1.900 53.633 52.037 -0.508 0.000 0.631 215 A CB -1.161 17.235 19.000 -1.006 0.000 0.814 215 A HN 0.604 nan 8.150 nan 0.000 0.446 216 A N -0.092 122.654 122.820 -0.123 0.000 1.898 216 A HA -0.148 4.172 4.320 0.000 0.000 0.216 216 A C 1.786 179.394 177.584 0.040 0.000 1.181 216 A CA 1.779 53.801 52.037 -0.023 0.000 0.620 216 A CB -0.526 18.488 19.000 0.023 0.000 0.819 216 A HN 0.451 nan 8.150 nan 0.000 0.442 217 D N -0.155 120.272 120.400 0.046 0.000 2.117 217 D HA -0.105 4.535 4.640 0.000 0.000 0.197 217 D C 2.043 178.411 176.300 0.114 0.000 0.987 217 D CA 1.453 55.525 54.000 0.120 0.000 0.829 217 D CB -0.446 40.481 40.800 0.211 0.000 0.961 217 D HN 0.205 nan 8.370 nan 0.000 0.460 218 V N 1.223 121.186 119.914 0.081 0.000 2.490 218 V HA -0.177 3.943 4.120 0.000 0.000 0.250 218 V C 2.275 178.427 176.094 0.097 0.000 1.061 218 V CA 1.672 64.026 62.300 0.091 0.000 1.064 218 V CB -0.610 31.297 31.823 0.141 0.000 0.670 218 V HN 0.189 nan 8.190 nan 0.000 0.461 219 A N -0.940 121.935 122.820 0.092 0.000 2.238 219 A HA 0.049 4.369 4.320 0.000 0.000 0.208 219 A C 1.099 178.792 177.584 0.182 0.000 1.177 219 A CA 0.793 52.926 52.037 0.160 0.000 0.804 219 A CB -0.415 18.646 19.000 0.102 0.000 0.823 219 A HN 0.606 nan 8.150 nan 0.000 0.482 220 D N -1.294 119.187 120.400 0.135 0.000 2.723 220 D HA -0.135 4.505 4.640 0.000 0.000 0.236 220 D C -0.229 176.167 176.300 0.160 0.000 1.138 220 D CA 1.150 55.231 54.000 0.136 0.000 0.676 220 D CB -1.772 39.087 40.800 0.098 0.000 1.069 220 D HN 1.010 nan 8.370 nan 0.000 0.430 221 V N -2.707 117.310 119.914 0.171 0.000 2.888 221 V HA 0.761 4.881 4.120 0.000 0.000 0.309 221 V C -2.280 173.941 176.094 0.211 0.000 1.114 221 V CA -1.408 60.996 62.300 0.173 0.000 0.940 221 V CB 2.301 34.210 31.823 0.144 0.000 1.021 221 V HN -0.066 nan 8.190 nan 0.000 0.426 222 P HA 0.134 nan 4.420 nan 0.000 0.246 222 P C 0.358 177.735 177.300 0.129 0.000 1.686 222 P CA -0.011 63.251 63.100 0.270 0.000 0.867 222 P CB -0.678 31.044 31.700 0.036 0.000 1.733 223 T N 0.361 114.997 114.554 0.137 0.000 2.891 223 T HA 0.019 4.369 4.350 0.000 0.000 0.296 223 T C 0.808 175.566 174.700 0.096 0.000 1.025 223 T CA 0.125 62.284 62.100 0.098 0.000 1.149 223 T CB 0.437 69.362 68.868 0.095 0.000 1.007 223 T HN -0.046 nan 8.240 nan 0.000 0.528 224 V N 4.857 124.822 119.914 0.085 0.000 2.470 224 V HA 0.126 4.246 4.120 0.000 0.000 0.276 224 V C 0.441 176.631 176.094 0.161 0.000 1.040 224 V CA -0.333 62.031 62.300 0.106 0.000 1.008 224 V CB 0.804 32.702 31.823 0.125 0.000 0.990 224 V HN 0.667 nan 8.190 nan 0.000 0.477 225 V N 7.515 127.541 119.914 0.187 0.000 2.370 225 V HA 0.462 4.582 4.120 0.000 0.000 0.283 225 V C 0.005 176.278 176.094 0.298 0.000 1.023 225 V CA -0.303 62.154 62.300 0.261 0.000 0.857 225 V CB 1.447 33.379 31.823 0.181 0.000 0.985 225 V HN 0.650 nan 8.190 nan 0.000 0.443 226 I N 4.123 124.925 120.570 0.387 0.000 2.404 226 I HA 0.716 4.886 4.170 0.000 0.000 0.293 226 I C 0.341 176.735 176.117 0.462 0.000 0.992 226 I CA -0.505 61.035 61.300 0.400 0.000 1.149 226 I CB 1.876 40.115 38.000 0.398 0.000 1.315 226 I HN 0.637 nan 8.210 nan 0.000 0.446 227 A N 6.718 129.782 122.820 0.408 0.000 2.304 227 A HA 0.711 5.031 4.320 0.000 0.000 0.323 227 A C -0.411 177.390 177.584 0.362 0.000 1.195 227 A CA -0.583 51.679 52.037 0.375 0.000 0.826 227 A CB 0.924 20.092 19.000 0.280 0.000 1.184 227 A HN 0.818 nan 8.150 nan 0.000 0.496 228 R N 1.386 122.004 120.500 0.196 0.000 2.637 228 R HA 0.647 4.987 4.340 0.000 0.000 0.291 228 R C -0.968 175.227 176.300 -0.174 0.000 0.963 228 R CA -0.110 55.889 56.100 -0.169 0.000 0.901 228 R CB 1.686 31.560 30.300 -0.711 0.000 1.160 228 R HN 0.645 nan 8.270 nan 0.000 0.457 229 T N 1.066 115.509 114.554 -0.184 0.000 2.841 229 T HA 0.262 4.612 4.350 0.000 0.000 0.283 229 T C -0.523 174.016 174.700 -0.268 0.000 1.000 229 T CA -0.636 61.397 62.100 -0.113 0.000 0.977 229 T CB 1.253 70.160 68.868 0.065 0.000 0.979 229 T HN 0.664 nan 8.240 nan 0.000 0.446 230 D N 3.458 123.709 120.400 -0.248 0.000 2.501 230 D HA 0.249 4.889 4.640 0.000 0.000 0.226 230 D C 1.303 177.484 176.300 -0.199 0.000 1.198 230 D CA -0.048 53.797 54.000 -0.258 0.000 0.830 230 D CB 0.691 41.335 40.800 -0.260 0.000 1.014 230 D HN 0.645 nan 8.370 nan 0.000 0.496 231 A N 0.548 123.263 122.820 -0.176 0.000 2.235 231 A HA -0.080 4.240 4.320 0.000 0.000 0.208 231 A C 1.975 179.459 177.584 -0.167 0.000 1.172 231 A CA 0.437 52.372 52.037 -0.171 0.000 0.786 231 A CB 0.027 18.913 19.000 -0.189 0.000 0.804 231 A HN 0.031 nan 8.150 nan 0.000 0.479 232 E N 0.264 120.370 120.200 -0.157 0.000 2.072 232 E HA -0.090 4.260 4.350 0.000 0.000 0.190 232 E C 1.794 178.335 176.600 -0.099 0.000 0.982 232 E CA 1.402 57.726 56.400 -0.126 0.000 0.803 232 E CB -0.006 29.620 29.700 -0.125 0.000 0.755 232 E HN 0.516 nan 8.360 nan 0.000 0.453 233 A N 0.253 123.011 122.820 -0.103 0.000 2.192 233 A HA 0.484 4.804 4.320 0.000 0.000 0.208 233 A C 1.135 178.671 177.584 -0.080 0.000 1.220 233 A CA 0.487 52.478 52.037 -0.076 0.000 0.900 233 A CB 0.078 19.040 19.000 -0.063 0.000 0.937 233 A HN 0.200 nan 8.150 nan 0.000 0.487 234 A N 0.873 123.630 122.820 -0.106 0.000 2.511 234 A HA 0.412 4.733 4.320 0.000 0.000 0.242 234 A C 1.076 178.614 177.584 -0.077 0.000 1.069 234 A CA 0.942 52.918 52.037 -0.103 0.000 0.763 234 A CB -0.223 18.699 19.000 -0.130 0.000 1.001 234 A HN 0.841 nan 8.150 nan 0.000 0.498 235 T N 0.344 114.863 114.554 -0.057 0.000 3.182 235 T HA 0.538 4.888 4.350 0.000 0.000 0.277 235 T C -0.023 174.672 174.700 -0.008 0.000 1.013 235 T CA -0.102 61.984 62.100 -0.024 0.000 0.900 235 T CB -0.749 68.115 68.868 -0.007 0.000 1.098 235 T HN 0.394 nan 8.240 nan 0.000 0.543 236 L N 0.900 122.095 121.223 -0.046 0.000 2.371 236 L HA 0.758 5.098 4.340 0.000 0.000 0.262 236 L C -1.135 175.693 176.870 -0.070 0.000 1.006 236 L CA -1.399 53.416 54.840 -0.042 0.000 0.818 236 L CB 2.712 44.684 42.059 -0.144 0.000 1.354 236 L HN 0.202 nan 8.230 nan 0.000 0.415 237 I N -0.264 120.316 120.570 0.017 0.000 2.827 237 I HA 0.192 4.362 4.170 0.000 0.000 0.298 237 I C 1.004 177.213 176.117 0.154 0.000 1.235 237 I CA -0.252 61.061 61.300 0.023 0.000 1.021 237 I CB 2.711 40.736 38.000 0.043 0.000 1.259 237 I HN 0.836 nan 8.210 nan 0.000 0.427 238 T N 1.520 116.147 114.554 0.121 0.000 2.867 238 T HA 0.028 4.378 4.350 0.000 0.000 0.268 238 T C 0.708 175.610 174.700 0.335 0.000 1.057 238 T CA 0.909 63.178 62.100 0.283 0.000 1.136 238 T CB -0.080 68.895 68.868 0.178 0.000 0.874 238 T HN 0.459 nan 8.240 nan 0.000 0.466 239 S N 0.643 116.418 115.700 0.126 0.000 2.596 239 S HA 0.430 4.901 4.470 0.000 0.000 0.270 239 S C -1.423 172.956 174.600 -0.368 0.000 1.155 239 S CA -0.355 57.790 58.200 -0.091 0.000 0.827 239 S CB 1.797 64.998 63.200 0.001 0.000 1.130 239 S HN 0.434 nan 8.310 nan 0.000 0.467 240 D N 2.285 122.310 120.400 -0.626 0.000 2.501 240 D HA 0.080 4.720 4.640 0.000 0.000 0.226 240 D C 1.414 177.589 176.300 -0.209 0.000 1.198 240 D CA -0.122 53.611 54.000 -0.445 0.000 0.830 240 D CB 0.120 40.559 40.800 -0.602 0.000 1.014 240 D HN 0.237 nan 8.370 nan 0.000 0.496 241 V N 0.223 120.053 119.914 -0.140 0.000 2.490 241 V HA -0.129 3.991 4.120 0.000 0.000 0.250 241 V C 0.374 176.444 176.094 -0.039 0.000 1.061 241 V CA 1.501 63.762 62.300 -0.065 0.000 1.064 241 V CB -0.355 31.449 31.823 -0.033 0.000 0.670 241 V HN 0.153 nan 8.190 nan 0.000 0.461 242 D N 0.233 120.614 120.400 -0.032 0.000 2.325 242 D HA 0.063 4.703 4.640 0.000 0.000 0.251 242 D C 1.170 177.469 176.300 -0.003 0.000 1.196 242 D CA 0.029 54.027 54.000 -0.004 0.000 0.866 242 D CB 1.295 42.106 40.800 0.018 0.000 1.101 242 D HN 0.517 nan 8.370 nan 0.000 0.476 243 E N 2.668 122.867 120.200 -0.001 0.000 2.267 243 E HA -0.190 4.160 4.350 0.000 0.000 0.197 243 E C 1.450 178.053 176.600 0.004 0.000 0.998 243 E CA 0.721 57.117 56.400 -0.006 0.000 0.830 243 E CB 0.276 29.973 29.700 -0.004 0.000 0.751 243 E HN 0.420 nan 8.360 nan 0.000 0.491 244 R N 0.534 121.053 120.500 0.031 0.000 2.236 244 R HA -0.059 4.281 4.340 0.000 0.000 0.208 244 R C 1.237 177.602 176.300 0.109 0.000 1.036 244 R CA 0.839 56.974 56.100 0.059 0.000 1.001 244 R CB 0.193 30.537 30.300 0.073 0.000 0.896 244 R HN 0.120 nan 8.270 nan 0.000 0.464 245 D N 0.100 120.556 120.400 0.093 0.000 2.338 245 D HA -0.047 4.593 4.640 0.000 0.000 0.208 245 D C 1.595 177.963 176.300 0.114 0.000 0.997 245 D CA 0.526 54.621 54.000 0.159 0.000 0.880 245 D CB 0.101 40.952 40.800 0.086 0.000 0.980 245 D HN 0.193 nan 8.370 nan 0.000 0.509 246 Q N 0.442 120.247 119.800 0.008 0.000 2.197 246 Q HA -0.135 4.205 4.340 0.000 0.000 0.207 246 Q C -0.752 175.190 176.000 -0.097 0.000 0.984 246 Q CA 1.270 57.049 55.803 -0.039 0.000 0.869 246 Q CB -0.799 27.908 28.738 -0.051 0.000 0.906 246 Q HN 0.301 nan 8.270 nan 0.000 0.426 247 P HA -0.115 nan 4.420 nan 0.000 0.230 247 P C 0.110 177.098 177.300 -0.521 0.000 1.158 247 P CA 1.087 63.925 63.100 -0.436 0.000 0.769 247 P CB 0.067 31.367 31.700 -0.667 0.000 0.807 248 F N -2.105 117.846 119.950 0.002 0.000 2.720 248 F HA 0.164 4.692 4.527 0.001 0.000 0.301 248 F C 1.093 176.903 175.800 0.016 0.000 1.103 248 F CA -0.436 57.568 58.000 0.008 0.000 1.291 248 F CB -0.121 38.882 39.000 0.004 0.000 1.086 248 F HN -0.250 nan 8.300 nan 0.000 0.592 249 I N 1.721 122.372 120.570 0.135 0.000 2.533 249 I HA -0.017 4.154 4.170 0.000 0.000 0.284 249 I C 1.768 177.944 176.117 0.099 0.000 1.109 249 I CA 0.301 61.668 61.300 0.112 0.000 1.412 249 I CB 0.497 38.525 38.000 0.047 0.000 1.396 249 I HN 0.176 nan 8.210 nan 0.000 0.543 250 T N 1.354 115.980 114.554 0.121 0.000 3.081 250 T HA 0.176 4.526 4.350 0.000 0.000 0.255 250 T C 1.351 176.109 174.700 0.098 0.000 1.113 250 T CA 0.558 62.714 62.100 0.094 0.000 1.082 250 T CB 0.314 69.233 68.868 0.086 0.000 0.939 250 T HN 0.933 nan 8.240 nan 0.000 0.506 251 G N 1.133 110.022 108.800 0.149 0.000 2.284 251 G HA2 -0.268 3.693 3.960 0.000 0.000 0.230 251 G HA3 -0.268 3.693 3.960 0.000 0.000 0.230 251 G C -0.070 174.899 174.900 0.114 0.000 1.021 251 G CA 0.168 45.357 45.100 0.148 0.000 0.619 251 G HN 0.849 nan 8.290 nan 0.000 0.510 252 E N 1.419 121.670 120.200 0.085 0.000 2.360 252 E HA 0.481 4.831 4.350 0.000 0.000 0.269 252 E C 0.378 176.977 176.600 -0.001 0.000 1.022 252 E CA -0.405 56.016 56.400 0.036 0.000 0.887 252 E CB 0.338 30.061 29.700 0.039 0.000 0.990 252 E HN 0.363 nan 8.360 nan 0.000 0.426 253 R N 2.259 122.714 120.500 -0.075 0.000 2.803 253 R HA 0.307 4.647 4.340 0.000 0.000 0.276 253 R C -0.142 176.102 176.300 -0.093 0.000 0.978 253 R CA -0.699 55.302 56.100 -0.165 0.000 0.939 253 R CB 1.686 31.798 30.300 -0.312 0.000 1.179 253 R HN 0.742 nan 8.270 nan 0.000 0.472 254 T N -1.866 112.644 114.554 -0.073 0.000 2.849 254 T HA 0.282 4.632 4.350 0.000 0.000 0.276 254 T C 1.191 175.825 174.700 -0.109 0.000 0.971 254 T CA -0.760 61.314 62.100 -0.044 0.000 0.949 254 T CB 1.189 70.078 68.868 0.036 0.000 1.093 254 T HN 0.506 nan 8.240 nan 0.000 0.545 255 R N 0.130 120.574 120.500 -0.094 0.000 2.148 255 R HA -0.031 4.309 4.340 0.000 0.000 0.227 255 R C 2.050 178.241 176.300 -0.181 0.000 1.103 255 R CA 1.291 57.322 56.100 -0.114 0.000 0.983 255 R CB -0.234 30.019 30.300 -0.077 0.000 0.874 255 R HN 0.722 nan 8.270 nan 0.000 0.451 256 E N -0.627 119.413 120.200 -0.267 0.000 2.358 256 E HA 0.019 4.369 4.350 0.000 0.000 0.195 256 E C 1.024 177.293 176.600 -0.552 0.000 1.010 256 E CA 0.784 56.912 56.400 -0.454 0.000 0.856 256 E CB 0.364 29.638 29.700 -0.711 0.000 0.795 256 E HN 0.505 nan 8.360 nan 0.000 0.504 257 G N -0.249 108.291 108.800 -0.433 0.000 2.163 257 G HA2 -0.224 3.736 3.960 0.000 0.000 0.213 257 G HA3 -0.224 3.736 3.960 0.000 0.000 0.213 257 G C -0.150 174.572 174.900 -0.297 0.000 0.991 257 G CA -0.494 44.395 45.100 -0.352 0.000 0.653 257 G HN 0.096 nan 8.290 nan 0.000 0.518 258 F N 0.389 120.273 119.950 -0.110 0.000 2.410 258 F HA 0.663 5.190 4.527 0.000 0.000 0.334 258 F C 0.783 176.519 175.800 -0.106 0.000 1.134 258 F CA -1.180 56.801 58.000 -0.031 0.000 1.227 258 F CB 0.304 39.309 39.000 0.007 0.000 1.194 258 F HN 0.048 nan 8.300 nan 0.000 0.571 259 Y N 1.909 122.341 120.300 0.220 0.000 2.320 259 Y HA 0.408 4.958 4.550 0.000 0.000 0.334 259 Y C 0.601 176.557 175.900 0.094 0.000 1.055 259 Y CA -0.882 57.291 58.100 0.121 0.000 1.143 259 Y CB 0.722 39.237 38.460 0.092 0.000 1.193 259 Y HN 0.263 nan 8.280 nan 0.000 0.477 260 R N 1.456 122.074 120.500 0.198 0.000 2.594 260 R HA 0.316 4.656 4.340 0.000 0.000 0.272 260 R C -0.181 176.207 176.300 0.146 0.000 1.074 260 R CA -0.010 56.170 56.100 0.135 0.000 1.105 260 R CB 1.129 31.485 30.300 0.093 0.000 1.008 260 R HN 0.700 nan 8.270 nan 0.000 0.472 261 T N 1.367 115.984 114.554 0.105 0.000 2.956 261 T HA 0.263 4.613 4.350 0.000 0.000 0.312 261 T C -0.996 173.755 174.700 0.084 0.000 1.151 261 T CA -0.786 61.382 62.100 0.113 0.000 1.024 261 T CB 1.095 70.022 68.868 0.098 0.000 1.140 261 T HN 0.366 nan 8.240 nan 0.000 0.473 262 K N 4.199 124.676 120.400 0.129 0.000 2.349 262 K HA 0.235 4.555 4.320 0.000 0.000 0.289 262 K C 0.877 177.481 176.600 0.006 0.000 1.064 262 K CA -0.570 55.778 56.287 0.100 0.000 0.947 262 K CB 0.297 32.903 32.500 0.177 0.000 1.007 262 K HN 0.601 nan 8.250 nan 0.000 0.478 263 N N 1.802 120.484 118.700 -0.031 0.000 2.434 263 N HA 0.512 5.252 4.740 0.000 0.000 0.266 263 N C 0.287 175.745 175.510 -0.088 0.000 1.223 263 N CA -0.317 52.678 53.050 -0.092 0.000 0.972 263 N CB 1.357 39.802 38.487 -0.069 0.000 1.207 263 N HN 0.617 nan 8.380 nan 0.000 0.525 264 G N -0.936 107.797 108.800 -0.112 0.000 2.359 264 G HA2 -0.061 3.899 3.960 0.000 0.000 0.303 264 G HA3 -0.061 3.899 3.960 0.000 0.000 0.303 264 G C 0.123 174.973 174.900 -0.083 0.000 1.293 264 G CA -0.250 44.805 45.100 -0.075 0.000 0.964 264 G HN 0.618 nan 8.290 nan 0.000 0.531 265 I N 0.163 120.717 120.570 -0.026 0.000 2.493 265 I HA 0.009 4.180 4.170 0.000 0.000 0.254 265 I C 2.373 178.513 176.117 0.038 0.000 1.160 265 I CA 2.300 63.612 61.300 0.020 0.000 1.445 265 I CB -0.063 37.980 38.000 0.072 0.000 1.086 265 I HN 0.825 nan 8.210 nan 0.000 0.433 266 E N 1.734 121.942 120.200 0.013 0.000 2.031 266 E HA -0.195 4.155 4.350 0.000 0.000 0.193 266 E C -0.757 175.791 176.600 -0.087 0.000 0.994 266 E CA 1.614 58.043 56.400 0.048 0.000 0.800 266 E CB -0.859 28.934 29.700 0.155 0.000 0.752 266 E HN 0.372 nan 8.360 nan 0.000 0.447 267 P HA -0.047 nan 4.420 nan 0.000 0.226 267 P C 0.943 178.081 177.300 -0.270 0.000 1.153 267 P CA 0.756 63.420 63.100 -0.727 0.000 0.777 267 P CB 0.015 30.918 31.700 -1.328 0.000 0.794 268 C N -0.621 118.602 119.300 -0.129 0.000 2.457 268 C HA 0.035 4.495 4.460 0.000 0.000 0.278 268 C C 2.858 177.961 174.990 0.189 0.000 1.309 268 C CA 0.194 59.212 59.018 -0.001 0.000 1.735 268 C CB -1.556 26.168 27.740 -0.027 0.000 1.992 268 C HN 0.144 nan 8.230 nan 0.000 0.493 269 I N 1.458 122.154 120.570 0.210 0.000 2.226 269 I HA -0.198 3.972 4.170 0.000 0.000 0.245 269 I C 2.740 178.909 176.117 0.088 0.000 1.100 269 I CA 1.588 63.003 61.300 0.192 0.000 1.374 269 I CB -0.438 37.643 38.000 0.136 0.000 1.057 269 I HN 0.272 nan 8.210 nan 0.000 0.413 270 A N 0.711 123.570 122.820 0.066 0.000 1.883 270 A HA -0.233 4.087 4.320 0.000 0.000 0.217 270 A C 2.393 179.943 177.584 -0.057 0.000 1.186 270 A CA 1.697 53.769 52.037 0.057 0.000 0.624 270 A CB -0.611 18.485 19.000 0.159 0.000 0.822 270 A HN 0.299 nan 8.150 nan 0.000 0.444 271 R N -0.710 119.694 120.500 -0.161 0.000 2.081 271 R HA -0.059 4.282 4.340 0.000 0.000 0.235 271 R C 2.524 178.397 176.300 -0.713 0.000 1.131 271 R CA 1.180 56.970 56.100 -0.517 0.000 0.960 271 R CB -0.493 29.546 30.300 -0.436 0.000 0.856 271 R HN 0.519 nan 8.270 nan 0.000 0.436 272 A N 1.617 124.315 122.820 -0.203 0.000 1.908 272 A HA -0.228 4.092 4.320 0.000 0.000 0.218 272 A C 1.904 179.478 177.584 -0.017 0.000 1.181 272 A CA 1.579 53.631 52.037 0.025 0.000 0.627 272 A CB -0.316 18.846 19.000 0.270 0.000 0.818 272 A HN 0.233 nan 8.150 nan 0.000 0.445 273 K N -0.468 119.933 120.400 0.001 0.000 2.057 273 K HA -0.036 4.284 4.320 0.000 0.000 0.207 273 K C 2.289 178.934 176.600 0.076 0.000 1.049 273 K CA 1.083 57.439 56.287 0.114 0.000 0.931 273 K CB -0.310 32.301 32.500 0.186 0.000 0.714 273 K HN 0.450 nan 8.250 nan 0.000 0.440 274 A N 0.666 123.484 122.820 -0.003 0.000 1.930 274 A HA -0.143 4.177 4.320 0.000 0.000 0.217 274 A C 1.630 179.370 177.584 0.259 0.000 1.175 274 A CA 1.210 53.296 52.037 0.081 0.000 0.627 274 A CB -0.525 18.468 19.000 -0.012 0.000 0.815 274 A HN 0.245 nan 8.150 nan 0.000 0.443 275 Y N -0.412 119.992 120.300 0.173 0.000 2.475 275 Y HA 0.231 4.781 4.550 0.000 0.000 0.289 275 Y C 2.746 178.734 175.900 0.148 0.000 1.121 275 Y CA -0.373 57.857 58.100 0.218 0.000 1.257 275 Y CB -1.264 37.317 38.460 0.202 0.000 1.026 275 Y HN 0.314 nan 8.280 nan 0.000 0.555 276 A N 1.193 124.035 122.820 0.036 0.000 1.903 276 A HA -0.201 4.120 4.320 0.000 0.000 0.219 276 A C -0.064 177.340 177.584 -0.299 0.000 1.191 276 A CA 1.924 53.789 52.037 -0.287 0.000 0.638 276 A CB -1.796 16.575 19.000 -1.048 0.000 0.823 276 A HN 0.282 nan 8.150 nan 0.000 0.451 277 P HA -0.055 nan 4.420 nan 0.000 0.228 277 P C 0.241 177.165 177.300 -0.627 0.000 1.151 277 P CA 0.845 63.623 63.100 -0.537 0.000 0.770 277 P CB -0.100 31.151 31.700 -0.748 0.000 0.786 278 F N -1.841 118.086 119.950 -0.038 0.000 2.683 278 F HA 0.490 5.017 4.527 0.000 0.000 0.306 278 F C 0.747 176.543 175.800 -0.006 0.000 1.102 278 F CA -0.584 57.390 58.000 -0.044 0.000 1.244 278 F CB 0.158 39.120 39.000 -0.065 0.000 1.029 278 F HN -0.245 nan 8.300 nan 0.000 0.545 279 A N 0.037 122.955 122.820 0.164 0.000 2.359 279 A HA 0.477 4.797 4.320 0.000 0.000 0.303 279 A C 0.231 177.925 177.584 0.184 0.000 1.066 279 A CA -0.572 51.579 52.037 0.189 0.000 0.730 279 A CB 0.865 20.009 19.000 0.241 0.000 1.211 279 A HN 0.076 nan 8.150 nan 0.000 0.439 280 D N 0.839 121.369 120.400 0.217 0.000 2.224 280 D HA 0.080 4.720 4.640 0.000 0.000 0.205 280 D C -0.012 176.471 176.300 0.305 0.000 0.965 280 D CA 1.594 55.765 54.000 0.284 0.000 0.852 280 D CB 0.155 41.130 40.800 0.290 0.000 0.947 280 D HN 0.424 nan 8.370 nan 0.000 0.494 281 L N -0.093 121.301 121.223 0.285 0.000 2.434 281 L HA 0.442 4.782 4.340 0.000 0.000 0.260 281 L C -0.772 176.308 176.870 0.351 0.000 0.983 281 L CA -0.506 54.513 54.840 0.298 0.000 0.820 281 L CB 3.022 45.266 42.059 0.308 0.000 1.361 281 L HN -0.281 nan 8.230 nan 0.000 0.410 282 I N 0.906 121.709 120.570 0.388 0.000 2.608 282 I HA 0.480 4.650 4.170 0.000 0.000 0.295 282 I C -1.638 174.861 176.117 0.636 0.000 1.049 282 I CA -0.447 61.143 61.300 0.484 0.000 1.063 282 I CB 2.189 40.453 38.000 0.442 0.000 1.248 282 I HN 0.585 nan 8.210 nan 0.000 0.424 283 W N 8.787 130.299 121.300 0.354 0.000 2.957 283 W HA 0.676 5.336 4.660 0.000 0.000 0.336 283 W C -1.693 174.854 176.519 0.046 0.000 1.087 283 W CA -1.888 55.604 57.345 0.245 0.000 1.235 283 W CB 1.573 31.164 29.460 0.218 0.000 1.399 283 W HN 0.406 nan 8.180 nan 0.000 0.480 284 M N 4.133 123.819 119.600 0.142 0.000 2.243 284 M HA 0.520 5.000 4.480 0.000 0.000 0.324 284 M C -0.490 175.706 176.300 -0.173 0.000 1.031 284 M CA -0.410 54.719 55.300 -0.285 0.000 0.949 284 M CB 2.090 34.223 32.600 -0.779 0.000 1.615 284 M HN 0.288 nan 8.290 nan 0.000 0.430 285 E N 3.290 123.308 120.200 -0.304 0.000 2.373 285 E HA 0.325 4.675 4.350 0.000 0.000 0.267 285 E C -0.391 176.136 176.600 -0.122 0.000 1.032 285 E CA 0.316 56.609 56.400 -0.178 0.000 0.889 285 E CB 1.552 31.039 29.700 -0.354 0.000 0.984 285 E HN 0.835 nan 8.360 nan 0.000 0.425 286 T N -1.732 112.841 114.554 0.032 0.000 2.916 286 T HA 0.511 4.861 4.350 0.000 0.000 0.292 286 T C 1.005 175.859 174.700 0.257 0.000 1.055 286 T CA -0.572 61.561 62.100 0.055 0.000 1.009 286 T CB 1.747 70.603 68.868 -0.019 0.000 1.118 286 T HN 0.315 nan 8.240 nan 0.000 0.497 287 G N 0.568 109.430 108.800 0.103 0.000 2.650 287 G HA2 0.368 4.328 3.960 0.000 0.000 0.214 287 G HA3 0.368 4.328 3.960 0.000 0.000 0.214 287 G C 0.536 175.380 174.900 -0.094 0.000 1.136 287 G CA 0.746 45.930 45.100 0.141 0.000 0.789 287 G HN 1.282 nan 8.290 nan 0.000 0.536 288 T N -3.049 111.180 114.554 -0.542 0.000 2.853 288 T HA 0.539 4.889 4.350 0.000 0.000 0.311 288 T C -3.389 170.484 174.700 -1.378 0.000 1.307 288 T CA -1.593 59.739 62.100 -1.280 0.000 1.019 288 T CB 2.743 71.096 68.868 -0.857 0.000 1.264 288 T HN -0.148 nan 8.240 nan 0.000 0.497 289 P HA 0.334 nan 4.420 nan 0.000 0.256 289 P C -1.275 175.845 177.300 -0.301 0.000 1.689 289 P CA 0.213 62.779 63.100 -0.889 0.000 1.124 289 P CB 0.001 30.768 31.700 -1.555 0.000 1.766 290 D N 3.153 123.470 120.400 -0.139 0.000 2.453 290 D HA 0.155 4.795 4.640 0.000 0.000 0.238 290 D C 1.256 177.513 176.300 -0.071 0.000 1.088 290 D CA -0.623 53.328 54.000 -0.081 0.000 0.854 290 D CB 0.937 41.666 40.800 -0.118 0.000 1.076 290 D HN 0.048 nan 8.370 nan 0.000 0.533 291 L N 2.436 123.598 121.223 -0.102 0.000 2.191 291 L HA -0.078 4.263 4.340 0.000 0.000 0.212 291 L C 2.167 178.965 176.870 -0.119 0.000 1.103 291 L CA 0.737 55.435 54.840 -0.237 0.000 0.769 291 L CB -0.060 41.847 42.059 -0.252 0.000 0.908 291 L HN 0.470 nan 8.230 nan 0.000 0.438 292 E N 0.391 120.555 120.200 -0.061 0.000 2.047 292 E HA -0.171 4.179 4.350 0.000 0.000 0.191 292 E C 2.276 178.884 176.600 0.013 0.000 0.987 292 E CA 1.384 57.771 56.400 -0.022 0.000 0.799 292 E CB -0.001 29.689 29.700 -0.017 0.000 0.752 292 E HN 0.422 nan 8.360 nan 0.000 0.449 293 A N 1.242 124.069 122.820 0.012 0.000 1.933 293 A HA -0.106 4.215 4.320 0.000 0.000 0.218 293 A C 2.400 180.061 177.584 0.127 0.000 1.175 293 A CA 2.066 54.136 52.037 0.054 0.000 0.628 293 A CB -0.582 18.430 19.000 0.019 0.000 0.814 293 A HN 0.291 nan 8.150 nan 0.000 0.444 294 A N -0.287 122.583 122.820 0.085 0.000 1.883 294 A HA -0.202 4.118 4.320 0.000 0.000 0.217 294 A C 2.286 180.067 177.584 0.327 0.000 1.186 294 A CA 1.780 53.915 52.037 0.164 0.000 0.624 294 A CB -0.540 18.346 19.000 -0.189 0.000 0.822 294 A HN 0.536 nan 8.150 nan 0.000 0.444 295 R N -0.522 120.077 120.500 0.164 0.000 2.081 295 R HA -0.198 4.142 4.340 0.000 0.000 0.235 295 R C 2.447 178.832 176.300 0.141 0.000 1.131 295 R CA 1.822 58.007 56.100 0.141 0.000 0.960 295 R CB -0.331 29.997 30.300 0.048 0.000 0.856 295 R HN 0.764 nan 8.270 nan 0.000 0.436 296 Q N -0.463 119.421 119.800 0.141 0.000 2.061 296 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 296 Q C 1.880 177.989 176.000 0.181 0.000 0.984 296 Q CA 1.928 57.809 55.803 0.130 0.000 0.846 296 Q CB -0.256 28.553 28.738 0.117 0.000 0.902 296 Q HN 0.373 nan 8.270 nan 0.000 0.421 297 F N 0.517 120.541 119.950 0.124 0.000 2.084 297 F HA -0.170 4.357 4.527 0.000 0.000 0.296 297 F C 2.569 178.455 175.800 0.144 0.000 1.111 297 F CA 1.799 59.889 58.000 0.150 0.000 1.224 297 F CB -0.907 38.225 39.000 0.221 0.000 0.991 297 F HN 0.102 nan 8.300 nan 0.000 0.471 298 S N -0.085 115.698 115.700 0.138 0.000 2.359 298 S HA -0.276 4.194 4.470 0.000 0.000 0.223 298 S C 2.056 176.571 174.600 -0.143 0.000 1.039 298 S CA 1.976 60.118 58.200 -0.097 0.000 1.042 298 S CB -0.597 62.596 63.200 -0.012 0.000 0.915 298 S HN 0.618 nan 8.310 nan 0.000 0.439 299 E N 0.530 120.699 120.200 -0.052 0.000 2.051 299 E HA -0.108 4.242 4.350 0.000 0.000 0.192 299 E C 2.453 179.012 176.600 -0.069 0.000 0.991 299 E CA 1.051 57.420 56.400 -0.051 0.000 0.799 299 E CB -0.376 29.315 29.700 -0.015 0.000 0.748 299 E HN 0.632 nan 8.360 nan 0.000 0.449 300 A N 0.812 123.591 122.820 -0.069 0.000 1.883 300 A HA -0.187 4.133 4.320 0.000 0.000 0.217 300 A C 2.499 180.019 177.584 -0.108 0.000 1.186 300 A CA 1.525 53.522 52.037 -0.067 0.000 0.624 300 A CB -0.772 18.208 19.000 -0.033 0.000 0.822 300 A HN 0.138 nan 8.150 nan 0.000 0.444 301 V N -0.031 119.748 119.914 -0.225 0.000 2.358 301 V HA -0.234 3.887 4.120 0.000 0.000 0.246 301 V C 2.367 178.439 176.094 -0.037 0.000 1.047 301 V CA 2.278 64.478 62.300 -0.166 0.000 1.035 301 V CB -0.642 30.963 31.823 -0.363 0.000 0.658 301 V HN 0.534 nan 8.190 nan 0.000 0.452 302 K N 0.203 120.554 120.400 -0.082 0.000 2.283 302 K HA -0.035 4.286 4.320 0.000 0.000 0.202 302 K C 2.201 178.775 176.600 -0.044 0.000 1.048 302 K CA 1.064 57.328 56.287 -0.039 0.000 0.948 302 K CB -0.315 32.145 32.500 -0.067 0.000 0.742 302 K HN 0.480 nan 8.250 nan 0.000 0.458 303 A N 1.353 124.138 122.820 -0.058 0.000 1.978 303 A HA -0.208 4.112 4.320 0.000 0.000 0.220 303 A C 1.781 179.299 177.584 -0.109 0.000 1.170 303 A CA 1.543 53.539 52.037 -0.067 0.000 0.636 303 A CB -0.137 18.829 19.000 -0.056 0.000 0.810 303 A HN 0.295 nan 8.150 nan 0.000 0.448 304 E N -2.852 117.259 120.200 -0.148 0.000 2.372 304 E HA 0.100 4.450 4.350 0.000 0.000 0.201 304 E C -0.793 175.434 176.600 -0.622 0.000 0.938 304 E CA 0.104 56.285 56.400 -0.366 0.000 0.944 304 E CB 0.420 29.881 29.700 -0.398 0.000 0.937 304 E HN 0.668 nan 8.360 nan 0.000 0.495 305 Y N 0.459 120.740 120.300 -0.033 0.000 2.662 305 Y HA 0.204 4.754 4.550 0.000 0.000 0.358 305 Y C -1.947 173.936 175.900 -0.028 0.000 1.041 305 Y CA -2.085 56.004 58.100 -0.020 0.000 1.184 305 Y CB 1.161 39.616 38.460 -0.009 0.000 1.114 305 Y HN 0.026 nan 8.280 nan 0.000 0.650 306 P HA -0.178 nan 4.420 nan 0.000 0.218 306 P C 0.383 177.705 177.300 0.037 0.000 1.148 306 P CA 1.673 64.785 63.100 0.021 0.000 0.822 306 P CB 0.594 32.291 31.700 -0.004 0.000 0.784 307 D N -1.094 119.352 120.400 0.075 0.000 2.340 307 D HA -0.003 4.637 4.640 0.000 0.000 0.220 307 D C 0.894 177.245 176.300 0.085 0.000 1.039 307 D CA 0.337 54.383 54.000 0.076 0.000 0.866 307 D CB -0.279 40.582 40.800 0.101 0.000 0.913 307 D HN 0.197 nan 8.370 nan 0.000 0.523 308 Q N 1.081 120.938 119.800 0.096 0.000 2.255 308 Q HA 0.054 4.394 4.340 0.000 0.000 0.280 308 Q C -0.233 175.786 176.000 0.031 0.000 1.068 308 Q CA 0.401 56.252 55.803 0.081 0.000 0.911 308 Q CB 0.338 29.123 28.738 0.078 0.000 1.157 308 Q HN 0.078 nan 8.270 nan 0.000 0.380 309 M N 4.370 124.004 119.600 0.057 0.000 2.250 309 M HA 0.344 4.824 4.480 0.000 0.000 0.344 309 M C -0.530 175.818 176.300 0.081 0.000 1.150 309 M CA -0.287 55.027 55.300 0.024 0.000 1.147 309 M CB 0.734 33.343 32.600 0.015 0.000 1.498 309 M HN 0.531 nan 8.290 nan 0.000 0.461 310 L N 1.171 122.417 121.223 0.037 0.000 2.303 310 L HA 0.941 5.282 4.340 0.000 0.000 0.266 310 L C -0.420 176.696 176.870 0.411 0.000 1.011 310 L CA -0.986 53.958 54.840 0.174 0.000 0.818 310 L CB 1.864 43.797 42.059 -0.210 0.000 1.326 310 L HN 0.747 nan 8.230 nan 0.000 0.435 311 A N 0.602 123.788 122.820 0.611 0.000 2.435 311 A HA 0.751 5.071 4.320 0.000 0.000 0.304 311 A C -2.048 175.799 177.584 0.438 0.000 1.064 311 A CA -0.370 52.006 52.037 0.565 0.000 0.727 311 A CB 1.598 20.912 19.000 0.525 0.000 1.284 311 A HN 0.587 nan 8.150 nan 0.000 0.415 312 Y N 1.558 121.842 120.300 -0.027 0.000 2.421 312 Y HA 0.500 5.051 4.550 0.000 0.000 0.339 312 Y C -0.502 174.842 175.900 -0.928 0.000 0.996 312 Y CA -0.930 56.918 58.100 -0.421 0.000 1.046 312 Y CB 1.828 39.986 38.460 -0.503 0.000 1.226 312 Y HN 0.704 nan 8.280 nan 0.000 0.445 313 N N 4.729 122.688 118.700 -1.236 0.000 2.469 313 N HA 0.171 4.911 4.740 0.000 0.000 0.239 313 N C -1.371 173.906 175.510 -0.388 0.000 1.053 313 N CA -0.227 52.074 53.050 -1.248 0.000 0.937 313 N CB 0.144 38.160 38.487 -0.785 0.000 1.163 313 N HN 0.596 nan 8.380 nan 0.000 0.509 314 C N 2.905 122.102 119.300 -0.171 0.000 2.518 314 C HA 0.232 4.692 4.460 0.000 0.000 0.456 314 C C 1.097 176.224 174.990 0.228 0.000 1.016 314 C CA -0.765 58.475 59.018 0.371 0.000 1.210 314 C CB -2.173 25.666 27.740 0.165 0.000 1.542 314 C HN 0.682 nan 8.230 nan 0.000 0.545 315 S N 2.843 118.574 115.700 0.051 0.000 2.549 315 S HA 0.156 4.626 4.470 0.000 0.000 0.283 315 S C -1.420 173.113 174.600 -0.112 0.000 1.320 315 S CA -0.720 57.297 58.200 -0.305 0.000 1.058 315 S CB 0.781 63.405 63.200 -0.961 0.000 0.882 315 S HN 0.441 nan 8.310 nan 0.000 0.498 316 P HA 0.092 nan 4.420 nan 0.000 0.237 316 P C 0.714 177.920 177.300 -0.156 0.000 1.178 316 P CA 0.469 63.549 63.100 -0.033 0.000 0.766 316 P CB 0.191 31.873 31.700 -0.030 0.000 0.876 317 S N -1.364 114.088 115.700 -0.412 0.000 2.607 317 S HA 0.071 4.541 4.470 0.000 0.000 0.224 317 S C 0.435 174.749 174.600 -0.478 0.000 0.969 317 S CA 0.501 58.415 58.200 -0.476 0.000 0.927 317 S CB -0.521 62.304 63.200 -0.626 0.000 0.772 317 S HN 0.032 nan 8.310 nan 0.000 0.533 318 F N 1.929 121.667 119.950 -0.353 0.000 2.397 318 F HA 0.351 4.878 4.527 0.000 0.000 0.331 318 F C 0.649 176.265 175.800 -0.305 0.000 1.090 318 F CA -2.321 55.373 58.000 -0.510 0.000 1.065 318 F CB 0.396 38.772 39.000 -1.039 0.000 1.184 318 F HN -0.091 nan 8.300 nan 0.000 0.499 319 N N 2.050 120.770 118.700 0.034 0.000 2.602 319 N HA 0.087 4.827 4.740 0.000 0.000 0.238 319 N C 0.330 175.889 175.510 0.080 0.000 1.084 319 N CA -0.408 52.684 53.050 0.070 0.000 0.952 319 N CB 0.328 38.839 38.487 0.041 0.000 1.244 319 N HN 0.551 nan 8.380 nan 0.000 0.512 320 W N 2.504 123.808 121.300 0.007 0.000 2.315 320 W HA -0.170 4.491 4.660 0.000 0.000 0.323 320 W C 1.963 178.450 176.519 -0.052 0.000 1.233 320 W CA 0.922 58.237 57.345 -0.050 0.000 1.267 320 W CB -0.082 29.297 29.460 -0.136 0.000 1.160 320 W HN 0.468 nan 8.180 nan 0.000 0.474 321 K N 0.282 120.769 120.400 0.145 0.000 2.283 321 K HA -0.169 4.151 4.320 0.000 0.000 0.202 321 K C 1.866 178.446 176.600 -0.033 0.000 1.048 321 K CA 1.226 57.539 56.287 0.043 0.000 0.948 321 K CB -0.299 32.209 32.500 0.012 0.000 0.742 321 K HN 0.115 nan 8.250 nan 0.000 0.458 322 K N 0.292 120.643 120.400 -0.083 0.000 2.362 322 K HA -0.140 4.181 4.320 0.000 0.000 0.200 322 K C 1.185 177.535 176.600 -0.417 0.000 1.046 322 K CA 1.171 57.314 56.287 -0.239 0.000 0.952 322 K CB 0.172 32.494 32.500 -0.298 0.000 0.753 322 K HN 0.288 nan 8.250 nan 0.000 0.466 323 H N -0.851 118.139 119.070 -0.134 0.000 2.501 323 H HA 0.226 4.782 4.556 0.000 0.000 0.281 323 H C 0.403 175.658 175.328 -0.122 0.000 0.988 323 H CA 0.139 56.086 56.048 -0.168 0.000 1.232 323 H CB 0.588 30.170 29.762 -0.301 0.000 1.455 323 H HN 0.034 nan 8.280 nan 0.000 0.501 324 L N 2.099 123.339 121.223 0.028 0.000 2.322 324 L HA 0.239 4.579 4.340 0.000 0.000 0.269 324 L C -0.201 176.683 176.870 0.023 0.000 1.012 324 L CA -1.166 53.690 54.840 0.028 0.000 0.815 324 L CB 1.760 43.848 42.059 0.048 0.000 1.295 324 L HN 0.180 nan 8.230 nan 0.000 0.438 325 D N -1.554 118.860 120.400 0.022 0.000 2.326 325 D HA 0.134 4.774 4.640 0.000 0.000 0.251 325 D C 0.159 176.471 176.300 0.020 0.000 1.023 325 D CA -0.583 53.424 54.000 0.012 0.000 0.966 325 D CB 0.944 41.747 40.800 0.004 0.000 1.156 325 D HN 0.355 nan 8.370 nan 0.000 0.494 326 D N 0.282 120.686 120.400 0.008 0.000 2.149 326 D HA -0.181 4.459 4.640 0.000 0.000 0.194 326 D C 1.939 178.246 176.300 0.012 0.000 1.001 326 D CA 2.489 56.491 54.000 0.004 0.000 0.849 326 D CB -0.505 40.291 40.800 -0.007 0.000 0.939 326 D HN 0.571 nan 8.370 nan 0.000 0.449 327 A N -0.075 122.753 122.820 0.014 0.000 1.902 327 A HA -0.180 4.141 4.320 0.000 0.000 0.217 327 A C 2.356 179.961 177.584 0.035 0.000 1.181 327 A CA 2.280 54.328 52.037 0.018 0.000 0.623 327 A CB -0.885 18.122 19.000 0.011 0.000 0.818 327 A HN 0.270 nan 8.150 nan 0.000 0.443 328 T N 0.228 114.813 114.554 0.051 0.000 2.812 328 T HA -0.029 4.321 4.350 0.000 0.000 0.264 328 T C 1.812 176.606 174.700 0.156 0.000 1.042 328 T CA 1.308 63.464 62.100 0.094 0.000 1.140 328 T CB -0.393 68.538 68.868 0.104 0.000 0.870 328 T HN 0.404 nan 8.240 nan 0.000 0.445 329 I N 1.622 122.256 120.570 0.107 0.000 2.208 329 I HA -0.239 3.931 4.170 0.000 0.000 0.245 329 I C 2.954 179.105 176.117 0.058 0.000 1.097 329 I CA 1.265 62.607 61.300 0.070 0.000 1.363 329 I CB -0.503 37.502 38.000 0.008 0.000 1.051 329 I HN 0.213 nan 8.210 nan 0.000 0.413 330 A N 1.443 124.287 122.820 0.039 0.000 1.933 330 A HA -0.230 4.090 4.320 0.000 0.000 0.218 330 A C 2.196 179.812 177.584 0.054 0.000 1.175 330 A CA 2.071 54.126 52.037 0.030 0.000 0.628 330 A CB -0.461 18.549 19.000 0.017 0.000 0.814 330 A HN 0.609 nan 8.150 nan 0.000 0.444 331 K N -2.385 118.052 120.400 0.060 0.000 2.358 331 K HA 0.229 4.550 4.320 0.000 0.000 0.197 331 K C 1.324 177.919 176.600 -0.009 0.000 1.025 331 K CA -0.087 56.213 56.287 0.023 0.000 1.104 331 K CB -0.257 32.240 32.500 -0.005 0.000 0.855 331 K HN 0.144 nan 8.250 nan 0.000 0.531 332 F N 3.209 123.096 119.950 -0.104 0.000 2.024 332 F HA -0.320 4.207 4.527 0.000 0.000 0.296 332 F C 2.359 177.993 175.800 -0.278 0.000 1.137 332 F CA 2.233 60.141 58.000 -0.153 0.000 1.200 332 F CB -0.231 38.724 39.000 -0.075 0.000 0.954 332 F HN 0.117 nan 8.300 nan 0.000 0.497 333 Q N -0.350 119.376 119.800 -0.123 0.000 2.124 333 Q HA -0.265 4.075 4.340 0.000 0.000 0.202 333 Q C 2.286 177.698 176.000 -0.979 0.000 0.977 333 Q CA 1.810 57.331 55.803 -0.470 0.000 0.850 333 Q CB -0.391 28.267 28.738 -0.133 0.000 0.901 333 Q HN 0.468 nan 8.270 nan 0.000 0.429 334 K N 0.714 120.712 120.400 -0.671 0.000 2.063 334 K HA -0.186 4.134 4.320 0.000 0.000 0.208 334 K C 1.927 178.231 176.600 -0.493 0.000 1.048 334 K CA 1.170 57.064 56.287 -0.655 0.000 0.928 334 K CB 0.211 32.645 32.500 -0.110 0.000 0.713 334 K HN 0.080 nan 8.250 nan 0.000 0.442 335 E N 0.835 120.798 120.200 -0.396 0.000 2.031 335 E HA -0.184 4.167 4.350 0.000 0.000 0.193 335 E C 2.153 178.540 176.600 -0.354 0.000 0.994 335 E CA 1.045 57.252 56.400 -0.323 0.000 0.800 335 E CB -0.261 29.247 29.700 -0.320 0.000 0.752 335 E HN 0.363 nan 8.360 nan 0.000 0.447 336 L N 0.659 121.570 121.223 -0.520 0.000 2.042 336 L HA -0.211 4.129 4.340 0.000 0.000 0.210 336 L C 2.586 179.369 176.870 -0.145 0.000 1.076 336 L CA 1.202 55.821 54.840 -0.368 0.000 0.749 336 L CB -0.615 41.011 42.059 -0.722 0.000 0.893 336 L HN 0.082 nan 8.230 nan 0.000 0.432 337 A N 0.077 122.627 122.820 -0.450 0.000 1.908 337 A HA -0.225 4.095 4.320 0.000 0.000 0.218 337 A C 2.497 180.000 177.584 -0.135 0.000 1.181 337 A CA 1.868 53.709 52.037 -0.326 0.000 0.627 337 A CB -0.693 17.975 19.000 -0.553 0.000 0.818 337 A HN 0.435 nan 8.150 nan 0.000 0.445 338 A N -0.999 121.731 122.820 -0.149 0.000 2.015 338 A HA -0.024 4.296 4.320 0.000 0.000 0.219 338 A C 2.118 179.657 177.584 -0.074 0.000 1.163 338 A CA 1.613 53.599 52.037 -0.084 0.000 0.646 338 A CB -0.488 18.462 19.000 -0.084 0.000 0.806 338 A HN 0.547 nan 8.150 nan 0.000 0.448 339 M N -1.866 117.695 119.600 -0.066 0.000 2.506 339 M HA 0.147 4.627 4.480 0.000 0.000 0.260 339 M C 1.375 177.538 176.300 -0.229 0.000 1.104 339 M CA 1.023 56.279 55.300 -0.074 0.000 1.112 339 M CB 0.342 32.993 32.600 0.085 0.000 1.401 339 M HN 0.613 nan 8.290 nan 0.000 0.473 340 G N -0.136 108.529 108.800 -0.225 0.000 2.183 340 G HA2 -0.182 3.778 3.960 0.000 0.000 0.168 340 G HA3 -0.182 3.778 3.960 0.000 0.000 0.168 340 G C -0.275 174.418 174.900 -0.346 0.000 1.008 340 G CA -0.821 44.114 45.100 -0.275 0.000 0.677 340 G HN 0.297 nan 8.290 nan 0.000 0.498 341 F N 2.035 121.982 119.950 -0.005 0.000 2.464 341 F HA 0.446 4.973 4.527 0.000 0.000 0.353 341 F C 1.522 177.348 175.800 0.045 0.000 1.191 341 F CA -0.417 57.609 58.000 0.044 0.000 1.147 341 F CB 1.102 40.088 39.000 -0.024 0.000 1.294 341 F HN -0.161 nan 8.300 nan 0.000 0.583 342 K N 2.487 123.015 120.400 0.212 0.000 2.404 342 K HA 0.086 4.406 4.320 0.000 0.000 0.194 342 K C -0.402 176.441 176.600 0.406 0.000 1.023 342 K CA 0.300 56.738 56.287 0.251 0.000 1.094 342 K CB 0.239 32.803 32.500 0.106 0.000 0.841 342 K HN 0.394 nan 8.250 nan 0.000 0.523 343 F N 1.856 121.968 119.950 0.271 0.000 2.539 343 F HA 0.281 4.808 4.527 0.000 0.000 0.328 343 F C -1.159 174.858 175.800 0.362 0.000 1.148 343 F CA -0.720 57.455 58.000 0.292 0.000 0.940 343 F CB 1.215 40.348 39.000 0.221 0.000 1.194 343 F HN -0.187 nan 8.300 nan 0.000 0.438 344 Q N 6.419 126.085 119.800 -0.223 0.000 2.375 344 Q HA 0.676 5.016 4.340 0.000 0.000 0.271 344 Q C -1.665 174.150 176.000 -0.308 0.000 1.074 344 Q CA -0.964 54.735 55.803 -0.173 0.000 0.808 344 Q CB 3.235 31.959 28.738 -0.023 0.000 1.327 344 Q HN 0.584 nan 8.270 nan 0.000 0.441 345 F N -1.406 118.245 119.950 -0.499 0.000 2.654 345 F HA 0.604 5.132 4.527 0.000 0.000 0.308 345 F C -1.376 174.233 175.800 -0.318 0.000 1.108 345 F CA -1.312 56.401 58.000 -0.479 0.000 0.957 345 F CB 0.854 39.396 39.000 -0.764 0.000 1.309 345 F HN 0.350 nan 8.300 nan 0.000 0.446 346 I N 3.011 123.512 120.570 -0.115 0.000 2.307 346 I HA 0.165 4.335 4.170 0.000 0.000 0.287 346 I C 1.136 177.284 176.117 0.052 0.000 1.054 346 I CA -0.322 60.919 61.300 -0.099 0.000 1.218 346 I CB 1.592 39.548 38.000 -0.074 0.000 1.398 346 I HN 0.968 nan 8.210 nan 0.000 0.475 347 T N 3.940 118.514 114.554 0.033 0.000 2.624 347 T HA -0.187 4.164 4.350 0.000 0.000 0.268 347 T C 1.162 176.039 174.700 0.295 0.000 1.041 347 T CA 1.288 63.565 62.100 0.295 0.000 1.159 347 T CB -0.246 68.778 68.868 0.261 0.000 0.863 347 T HN 0.515 nan 8.240 nan 0.000 0.434 348 L N 0.909 122.191 121.223 0.098 0.000 2.783 348 L HA 0.533 4.873 4.340 0.000 0.000 0.236 348 L C 2.605 179.600 176.870 0.210 0.000 1.225 348 L CA -0.025 54.853 54.840 0.062 0.000 1.026 348 L CB -0.620 41.274 42.059 -0.276 0.000 1.314 348 L HN 0.311 nan 8.230 nan 0.000 0.489 349 A N 0.997 123.933 122.820 0.193 0.000 1.908 349 A HA -0.109 4.211 4.320 0.000 0.000 0.218 349 A C 2.350 180.047 177.584 0.188 0.000 1.181 349 A CA 1.939 54.080 52.037 0.174 0.000 0.627 349 A CB -0.723 18.348 19.000 0.119 0.000 0.818 349 A HN 0.473 nan 8.150 nan 0.000 0.445 350 G N -1.273 107.645 108.800 0.197 0.000 2.404 350 G HA2 -0.196 3.764 3.960 0.000 0.000 0.215 350 G HA3 -0.196 3.764 3.960 0.000 0.000 0.215 350 G C 1.466 176.471 174.900 0.175 0.000 1.174 350 G CA 1.086 46.290 45.100 0.173 0.000 0.780 350 G HN 0.507 nan 8.290 nan 0.000 0.537 351 F N 1.288 121.273 119.950 0.058 0.000 2.091 351 F HA -0.175 4.352 4.527 0.000 0.000 0.299 351 F C 2.704 178.451 175.800 -0.087 0.000 1.103 351 F CA 2.156 60.154 58.000 -0.003 0.000 1.228 351 F CB -0.261 38.703 39.000 -0.060 0.000 0.984 351 F HN 0.187 nan 8.300 nan 0.000 0.477 352 H N -0.224 118.937 119.070 0.151 0.000 2.357 352 H HA 0.023 4.580 4.556 0.000 0.000 0.301 352 H C 2.378 177.711 175.328 0.008 0.000 1.082 352 H CA 1.296 57.358 56.048 0.023 0.000 1.342 352 H CB -0.837 28.983 29.762 0.097 0.000 1.389 352 H HN 0.422 nan 8.280 nan 0.000 0.511 353 A N 1.076 123.979 122.820 0.138 0.000 1.898 353 A HA -0.088 4.232 4.320 0.000 0.000 0.216 353 A C 2.609 180.237 177.584 0.073 0.000 1.181 353 A CA 1.048 53.157 52.037 0.119 0.000 0.620 353 A CB -0.793 18.266 19.000 0.097 0.000 0.819 353 A HN 0.361 nan 8.150 nan 0.000 0.442 354 L N -0.390 120.838 121.223 0.009 0.000 2.027 354 L HA -0.164 4.176 4.340 0.000 0.000 0.206 354 L C 2.209 179.031 176.870 -0.081 0.000 1.074 354 L CA 1.692 56.514 54.840 -0.029 0.000 0.745 354 L CB -0.415 41.625 42.059 -0.033 0.000 0.898 354 L HN 0.395 nan 8.230 nan 0.000 0.433 355 N N -1.133 117.440 118.700 -0.211 0.000 2.188 355 N HA -0.235 4.505 4.740 0.000 0.000 0.184 355 N C 1.783 177.275 175.510 -0.030 0.000 1.018 355 N CA 1.529 54.452 53.050 -0.211 0.000 0.858 355 N CB -0.160 38.015 38.487 -0.520 0.000 0.989 355 N HN 0.414 nan 8.380 nan 0.000 0.426 356 Y N 2.290 122.557 120.300 -0.056 0.000 2.184 356 Y HA -0.151 4.399 4.550 0.000 0.000 0.290 356 Y C 2.758 178.707 175.900 0.081 0.000 1.129 356 Y CA 1.594 59.709 58.100 0.024 0.000 1.144 356 Y CB -0.545 37.923 38.460 0.013 0.000 0.995 356 Y HN 0.053 nan 8.280 nan 0.000 0.513 357 S N -0.324 115.345 115.700 -0.052 0.000 2.383 357 S HA -0.265 4.205 4.470 0.000 0.000 0.229 357 S C 1.990 176.519 174.600 -0.118 0.000 1.030 357 S CA 1.594 59.735 58.200 -0.099 0.000 1.002 357 S CB -0.669 62.536 63.200 0.009 0.000 0.829 357 S HN 0.510 nan 8.310 nan 0.000 0.467 358 M N 1.188 120.748 119.600 -0.067 0.000 2.160 358 M HA 0.232 4.712 4.480 0.000 0.000 0.264 358 M C 1.736 178.014 176.300 -0.037 0.000 1.073 358 M CA 0.885 56.159 55.300 -0.044 0.000 1.142 358 M CB -1.157 31.430 32.600 -0.022 0.000 1.358 358 M HN 0.369 nan 8.290 nan 0.000 0.422 359 F N 0.766 120.622 119.950 -0.157 0.000 2.126 359 F HA -0.231 4.296 4.527 0.000 0.000 0.299 359 F C 1.878 177.603 175.800 -0.125 0.000 1.096 359 F CA 2.432 60.364 58.000 -0.113 0.000 1.255 359 F CB -0.777 38.151 39.000 -0.119 0.000 0.997 359 F HN 0.336 nan 8.300 nan 0.000 0.479 360 D N 0.166 120.514 120.400 -0.086 0.000 2.104 360 D HA -0.213 4.427 4.640 0.000 0.000 0.194 360 D C 2.167 178.423 176.300 -0.072 0.000 0.994 360 D CA 1.549 55.469 54.000 -0.133 0.000 0.830 360 D CB -0.396 40.185 40.800 -0.365 0.000 0.959 360 D HN 0.307 nan 8.370 nan 0.000 0.452 361 L N 0.599 121.770 121.223 -0.086 0.000 1.994 361 L HA -0.005 4.335 4.340 0.000 0.000 0.208 361 L C 2.192 179.053 176.870 -0.015 0.000 1.071 361 L CA 2.382 57.200 54.840 -0.036 0.000 0.745 361 L CB -1.202 40.834 42.059 -0.039 0.000 0.892 361 L HN 0.079 nan 8.230 nan 0.000 0.431 362 A N -1.756 121.023 122.820 -0.069 0.000 1.972 362 A HA -0.275 4.045 4.320 0.000 0.000 0.219 362 A C 2.287 179.823 177.584 -0.080 0.000 1.169 362 A CA 1.801 53.810 52.037 -0.048 0.000 0.635 362 A CB -1.127 17.816 19.000 -0.095 0.000 0.810 362 A HN 0.657 nan 8.150 nan 0.000 0.446 363 Y N 0.532 120.627 120.300 -0.341 0.000 2.163 363 Y HA 0.018 4.568 4.550 0.000 0.000 0.288 363 Y C 2.474 178.296 175.900 -0.129 0.000 1.136 363 Y CA 1.467 59.357 58.100 -0.351 0.000 1.147 363 Y CB -0.715 37.426 38.460 -0.531 0.000 0.987 363 Y HN 0.232 nan 8.280 nan 0.000 0.509 364 G N -1.519 107.277 108.800 -0.005 0.000 2.443 364 G HA2 -0.322 3.638 3.960 0.000 0.000 0.219 364 G HA3 -0.322 3.638 3.960 0.000 0.000 0.219 364 G C 1.494 176.397 174.900 0.005 0.000 1.131 364 G CA 0.891 45.988 45.100 -0.004 0.000 0.775 364 G HN 0.555 nan 8.290 nan 0.000 0.547 365 Y N 1.812 122.052 120.300 -0.100 0.000 2.286 365 Y HA 0.235 4.785 4.550 0.000 0.000 0.293 365 Y C 2.764 178.597 175.900 -0.112 0.000 1.124 365 Y CA 0.846 58.904 58.100 -0.070 0.000 1.178 365 Y CB -0.279 38.157 38.460 -0.040 0.000 1.010 365 Y HN 0.206 nan 8.280 nan 0.000 0.536 366 A N -0.014 122.728 122.820 -0.129 0.000 2.070 366 A HA -0.142 4.179 4.320 0.000 0.000 0.220 366 A C 1.955 179.372 177.584 -0.278 0.000 1.159 366 A CA 1.635 53.522 52.037 -0.249 0.000 0.656 366 A CB -0.307 18.555 19.000 -0.229 0.000 0.800 366 A HN 0.552 nan 8.150 nan 0.000 0.453 367 Q N -0.651 118.984 119.800 -0.275 0.000 2.274 367 Q HA 0.030 4.370 4.340 0.000 0.000 0.198 367 Q C 0.431 176.339 176.000 -0.154 0.000 0.955 367 Q CA 1.262 56.929 55.803 -0.226 0.000 0.859 367 Q CB -0.385 28.204 28.738 -0.249 0.000 0.956 367 Q HN 0.756 nan 8.270 nan 0.000 0.516 368 N N 0.297 118.928 118.700 -0.115 0.000 2.234 368 N HA 0.082 4.822 4.740 0.000 0.000 0.227 368 N C -0.301 175.179 175.510 -0.049 0.000 1.151 368 N CA -0.071 52.939 53.050 -0.065 0.000 0.865 368 N CB 0.862 39.336 38.487 -0.020 0.000 1.066 368 N HN -0.035 nan 8.380 nan 0.000 0.515 369 Q N -0.049 119.670 119.800 -0.135 0.000 2.288 369 Q HA -0.310 4.030 4.340 0.000 0.000 0.441 369 Q C 1.244 177.338 176.000 0.155 0.000 0.659 369 Q CA 1.836 57.551 55.803 -0.147 0.000 0.924 369 Q CB -0.988 27.627 28.738 -0.204 0.000 2.898 369 Q HN 0.147 nan 8.270 nan 0.000 0.941 370 M N 0.015 119.699 119.600 0.140 0.000 2.195 370 M HA -0.136 4.344 4.480 0.000 0.000 0.260 370 M C 1.969 178.374 176.300 0.176 0.000 1.066 370 M CA 2.212 57.631 55.300 0.198 0.000 1.089 370 M CB -1.484 31.200 32.600 0.140 0.000 1.377 370 M HN 0.473 nan 8.290 nan 0.000 0.411 371 S N 1.139 116.904 115.700 0.109 0.000 2.359 371 S HA -0.144 4.326 4.470 0.000 0.000 0.224 371 S C 2.172 176.824 174.600 0.086 0.000 1.035 371 S CA 1.476 59.724 58.200 0.081 0.000 1.018 371 S CB -0.676 62.552 63.200 0.046 0.000 0.876 371 S HN 0.602 nan 8.310 nan 0.000 0.448 372 A N 0.899 123.783 122.820 0.108 0.000 1.865 372 A HA -0.168 4.153 4.320 0.000 0.000 0.217 372 A C 2.037 179.663 177.584 0.070 0.000 1.191 372 A CA 1.868 53.963 52.037 0.096 0.000 0.623 372 A CB -1.136 17.946 19.000 0.136 0.000 0.826 372 A HN 0.546 nan 8.150 nan 0.000 0.444 373 Y N 0.538 120.881 120.300 0.072 0.000 2.181 373 Y HA -0.153 4.398 4.550 0.000 0.000 0.288 373 Y C 2.408 178.332 175.900 0.040 0.000 1.146 373 Y CA 1.707 59.827 58.100 0.033 0.000 1.164 373 Y CB -0.282 38.193 38.460 0.026 0.000 0.982 373 Y HN 0.067 nan 8.280 nan 0.000 0.515 374 V N 0.317 120.264 119.914 0.055 0.000 2.392 374 V HA -0.308 3.812 4.120 0.000 0.000 0.249 374 V C 2.123 178.184 176.094 -0.055 0.000 1.059 374 V CA 2.212 64.527 62.300 0.026 0.000 1.051 374 V CB -0.605 31.276 31.823 0.097 0.000 0.658 374 V HN 0.406 nan 8.190 nan 0.000 0.455 375 E N -0.265 119.902 120.200 -0.054 0.000 2.085 375 E HA -0.261 4.090 4.350 0.000 0.000 0.194 375 E C 2.120 178.650 176.600 -0.118 0.000 0.994 375 E CA 1.499 57.868 56.400 -0.052 0.000 0.801 375 E CB -0.226 29.459 29.700 -0.025 0.000 0.743 375 E HN 0.449 nan 8.360 nan 0.000 0.453 376 L N 1.184 122.266 121.223 -0.234 0.000 2.017 376 L HA -0.221 4.119 4.340 0.000 0.000 0.208 376 L C 2.335 179.018 176.870 -0.311 0.000 1.073 376 L CA 1.862 56.525 54.840 -0.296 0.000 0.745 376 L CB -0.487 41.309 42.059 -0.437 0.000 0.894 376 L HN 0.084 nan 8.230 nan 0.000 0.432 377 Q N -0.900 118.657 119.800 -0.405 0.000 2.096 377 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 377 Q C 1.949 177.804 176.000 -0.243 0.000 0.982 377 Q CA 1.814 57.424 55.803 -0.322 0.000 0.850 377 Q CB 0.024 28.655 28.738 -0.179 0.000 0.901 377 Q HN 0.536 nan 8.270 nan 0.000 0.422 378 E N 0.211 120.408 120.200 -0.005 0.000 2.150 378 E HA -0.141 4.209 4.350 0.000 0.000 0.193 378 E C 1.967 178.626 176.600 0.097 0.000 0.985 378 E CA 0.776 57.293 56.400 0.195 0.000 0.814 378 E CB -0.104 29.687 29.700 0.152 0.000 0.752 378 E HN 0.400 nan 8.360 nan 0.000 0.466 379 R N 0.811 121.300 120.500 -0.017 0.000 2.105 379 R HA -0.118 4.223 4.340 0.000 0.000 0.239 379 R C 2.176 178.432 176.300 -0.073 0.000 1.135 379 R CA 1.127 57.200 56.100 -0.046 0.000 0.967 379 R CB -0.216 30.032 30.300 -0.088 0.000 0.861 379 R HN 0.329 nan 8.270 nan 0.000 0.442 380 E N 0.022 120.152 120.200 -0.116 0.000 2.072 380 E HA -0.135 4.215 4.350 0.000 0.000 0.191 380 E C 1.812 178.482 176.600 0.117 0.000 0.985 380 E CA 1.005 57.370 56.400 -0.057 0.000 0.801 380 E CB -0.135 29.568 29.700 0.005 0.000 0.750 380 E HN 0.204 nan 8.360 nan 0.000 0.452 381 F N 1.234 121.269 119.950 0.142 0.000 2.134 381 F HA -0.147 4.380 4.527 0.000 0.000 0.299 381 F C 2.467 178.324 175.800 0.095 0.000 1.097 381 F CA 1.022 59.099 58.000 0.128 0.000 1.264 381 F CB -0.952 38.092 39.000 0.074 0.000 1.001 381 F HN -0.004 nan 8.300 nan 0.000 0.479 382 A N 0.176 123.139 122.820 0.237 0.000 1.883 382 A HA -0.106 4.214 4.320 0.000 0.000 0.217 382 A C 2.372 180.018 177.584 0.104 0.000 1.186 382 A CA 1.887 54.003 52.037 0.132 0.000 0.624 382 A CB -1.392 17.651 19.000 0.072 0.000 0.822 382 A HN 0.289 nan 8.150 nan 0.000 0.444 383 A N -0.310 122.551 122.820 0.068 0.000 2.225 383 A HA -0.105 4.215 4.320 0.000 0.000 0.215 383 A C 1.693 179.384 177.584 0.179 0.000 1.164 383 A CA 1.366 53.430 52.037 0.045 0.000 0.710 383 A CB -0.575 18.317 19.000 -0.179 0.000 0.780 383 A HN 0.705 nan 8.150 nan 0.000 0.473 384 E N -0.158 120.179 120.200 0.229 0.000 2.153 384 E HA -0.208 4.143 4.350 0.000 0.000 0.194 384 E C 1.689 178.378 176.600 0.148 0.000 0.988 384 E CA 1.332 57.867 56.400 0.224 0.000 0.811 384 E CB -0.140 29.698 29.700 0.229 0.000 0.746 384 E HN 0.763 nan 8.360 nan 0.000 0.466 385 E N 0.573 120.841 120.200 0.115 0.000 2.204 385 E HA -0.121 4.230 4.350 0.000 0.000 0.195 385 E C 1.801 178.444 176.600 0.070 0.000 0.990 385 E CA 0.702 57.149 56.400 0.079 0.000 0.821 385 E CB 0.054 29.790 29.700 0.060 0.000 0.750 385 E HN 0.119 nan 8.360 nan 0.000 0.477 386 R N -0.961 119.586 120.500 0.078 0.000 2.275 386 R HA 0.091 4.431 4.340 0.000 0.000 0.199 386 R C 1.020 177.372 176.300 0.087 0.000 0.989 386 R CA 0.681 56.820 56.100 0.065 0.000 1.016 386 R CB 0.560 30.890 30.300 0.050 0.000 0.918 386 R HN 0.291 nan 8.270 nan 0.000 0.473 387 G N -0.123 108.750 108.800 0.122 0.000 2.192 387 G HA2 -0.285 3.675 3.960 0.000 0.000 0.193 387 G HA3 -0.285 3.675 3.960 0.000 0.000 0.193 387 G C -0.221 174.793 174.900 0.190 0.000 0.999 387 G CA -0.421 44.757 45.100 0.130 0.000 0.659 387 G HN 0.310 nan 8.290 nan 0.000 0.503 388 Y N 2.491 122.830 120.300 0.066 0.000 2.597 388 Y HA 0.389 4.939 4.550 0.000 0.000 0.336 388 Y C 1.674 177.621 175.900 0.078 0.000 1.216 388 Y CA 1.603 59.745 58.100 0.069 0.000 1.463 388 Y CB 1.258 39.749 38.460 0.053 0.000 1.303 388 Y HN 0.333 nan 8.280 nan 0.000 0.576 389 T N 0.525 114.841 114.554 -0.397 0.000 3.041 389 T HA 0.294 4.644 4.350 0.000 0.000 0.276 389 T C 1.330 175.746 174.700 -0.475 0.000 0.948 389 T CA 0.211 62.130 62.100 -0.302 0.000 0.885 389 T CB -0.215 68.586 68.868 -0.111 0.000 1.175 389 T HN 0.582 nan 8.240 nan 0.000 0.529 390 A N 1.937 124.190 122.820 -0.945 0.000 2.168 390 A HA 0.103 4.424 4.320 0.000 0.000 0.215 390 A C 2.295 179.681 177.584 -0.330 0.000 1.152 390 A CA 1.569 53.261 52.037 -0.574 0.000 0.716 390 A CB -1.308 17.407 19.000 -0.474 0.000 0.794 390 A HN 0.538 nan 8.150 nan 0.000 0.465 391 T N 0.670 115.038 114.554 -0.311 0.000 2.699 391 T HA -0.149 4.202 4.350 0.000 0.000 0.268 391 T C 0.993 175.542 174.700 -0.252 0.000 1.036 391 T CA 1.447 63.483 62.100 -0.106 0.000 1.147 391 T CB -0.251 68.608 68.868 -0.014 0.000 0.862 391 T HN 0.471 nan 8.240 nan 0.000 0.446 392 K N 2.534 122.769 120.400 -0.274 0.000 2.222 392 K HA 0.108 4.429 4.320 0.000 0.000 0.243 392 K C 1.250 177.639 176.600 -0.352 0.000 1.160 392 K CA -0.189 55.827 56.287 -0.452 0.000 1.090 392 K CB 0.017 32.382 32.500 -0.225 0.000 1.694 392 K HN 0.700 nan 8.250 nan 0.000 0.361 393 H N 0.226 119.153 119.070 -0.238 0.000 2.456 393 H HA -0.109 4.447 4.556 0.000 0.000 0.296 393 H C 0.855 176.104 175.328 -0.132 0.000 1.079 393 H CA 0.541 56.490 56.048 -0.164 0.000 1.322 393 H CB 0.392 30.075 29.762 -0.132 0.000 1.388 393 H HN 0.379 nan 8.280 nan 0.000 0.538 394 Q N 1.742 121.571 119.800 0.048 0.000 2.016 394 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 394 Q C 2.597 178.603 176.000 0.010 0.000 0.978 394 Q CA 1.733 57.573 55.803 0.061 0.000 0.833 394 Q CB -0.319 28.426 28.738 0.012 0.000 0.895 394 Q HN 0.714 nan 8.270 nan 0.000 0.427 395 R N 0.724 121.201 120.500 -0.037 0.000 2.148 395 R HA -0.067 4.273 4.340 0.000 0.000 0.227 395 R C 1.920 178.203 176.300 -0.029 0.000 1.103 395 R CA 1.362 57.451 56.100 -0.018 0.000 0.983 395 R CB -0.324 29.956 30.300 -0.033 0.000 0.874 395 R HN 0.118 nan 8.270 nan 0.000 0.451 396 E N 1.161 121.330 120.200 -0.052 0.000 2.153 396 E HA -0.124 4.226 4.350 0.000 0.000 0.194 396 E C 1.498 178.064 176.600 -0.056 0.000 0.988 396 E CA 1.128 57.483 56.400 -0.074 0.000 0.811 396 E CB 0.125 29.775 29.700 -0.084 0.000 0.746 396 E HN 0.225 nan 8.360 nan 0.000 0.466 397 V N -0.936 118.969 119.914 -0.015 0.000 3.596 397 V HA 0.358 4.478 4.120 0.000 0.000 0.289 397 V C 0.922 177.054 176.094 0.063 0.000 1.336 397 V CA 0.964 63.263 62.300 -0.002 0.000 1.137 397 V CB -0.040 31.775 31.823 -0.014 0.000 0.966 397 V HN 0.483 nan 8.190 nan 0.000 0.428 398 G N -0.321 108.533 108.800 0.090 0.000 2.144 398 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 398 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 398 G C 0.985 176.090 174.900 0.342 0.000 0.988 398 G CA 0.420 45.664 45.100 0.240 0.000 0.659 398 G HN 1.194 nan 8.290 nan 0.000 0.522 399 A N 0.206 123.134 122.820 0.181 0.000 1.917 399 A HA 0.233 4.553 4.320 0.000 0.000 0.219 399 A C 2.733 180.408 177.584 0.151 0.000 1.182 399 A CA 2.536 54.662 52.037 0.149 0.000 0.633 399 A CB -0.875 18.166 19.000 0.068 0.000 0.819 399 A HN 1.634 nan 8.150 nan 0.000 0.448 400 G N -2.381 106.488 108.800 0.115 0.000 2.421 400 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 400 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 400 G C 1.508 176.458 174.900 0.083 0.000 1.143 400 G CA 1.120 46.267 45.100 0.080 0.000 0.784 400 G HN 0.580 nan 8.290 nan 0.000 0.541 401 Y N 0.632 120.927 120.300 -0.009 0.000 2.200 401 Y HA 0.046 4.596 4.550 0.000 0.000 0.290 401 Y C 2.206 177.980 175.900 -0.211 0.000 1.137 401 Y CA 1.103 59.129 58.100 -0.123 0.000 1.163 401 Y CB -0.232 38.122 38.460 -0.176 0.000 0.988 401 Y HN 0.158 nan 8.280 nan 0.000 0.518 402 F N 0.400 120.326 119.950 -0.040 0.000 2.325 402 F HA -0.128 4.399 4.527 0.000 0.000 0.299 402 F C 2.032 177.759 175.800 -0.123 0.000 1.090 402 F CA 1.513 59.445 58.000 -0.114 0.000 1.392 402 F CB -0.408 38.587 39.000 -0.009 0.000 1.053 402 F HN 0.043 nan 8.300 nan 0.000 0.521 403 D N -0.343 120.082 120.400 0.041 0.000 2.144 403 D HA -0.155 4.485 4.640 0.000 0.000 0.199 403 D C 2.295 178.551 176.300 -0.074 0.000 0.984 403 D CA 0.840 54.840 54.000 0.001 0.000 0.834 403 D CB -0.149 40.660 40.800 0.014 0.000 0.955 403 D HN -0.028 nan 8.370 nan 0.000 0.465 404 R N 0.502 120.910 120.500 -0.153 0.000 2.075 404 R HA 0.027 4.367 4.340 0.000 0.000 0.232 404 R C 2.168 178.329 176.300 -0.232 0.000 1.126 404 R CA 0.878 56.864 56.100 -0.191 0.000 0.963 404 R CB -0.613 29.539 30.300 -0.246 0.000 0.858 404 R HN 0.199 nan 8.270 nan 0.000 0.435 405 I N 0.150 120.511 120.570 -0.349 0.000 2.179 405 I HA -0.249 3.921 4.170 0.000 0.000 0.242 405 I C 2.319 178.353 176.117 -0.137 0.000 1.088 405 I CA 1.364 62.490 61.300 -0.289 0.000 1.357 405 I CB -0.507 37.278 38.000 -0.358 0.000 1.051 405 I HN 0.274 nan 8.210 nan 0.000 0.409 406 A N 0.974 123.743 122.820 -0.086 0.000 1.892 406 A HA -0.271 4.049 4.320 0.000 0.000 0.218 406 A C 2.421 179.981 177.584 -0.039 0.000 1.188 406 A CA 2.757 54.774 52.037 -0.033 0.000 0.631 406 A CB -1.328 17.672 19.000 -0.000 0.000 0.822 406 A HN 0.547 nan 8.150 nan 0.000 0.447 407 T N -4.129 110.395 114.554 -0.050 0.000 3.055 407 T HA -0.038 4.312 4.350 0.000 0.000 0.265 407 T C 1.643 176.315 174.700 -0.046 0.000 1.111 407 T CA 1.731 63.807 62.100 -0.041 0.000 1.118 407 T CB -0.566 68.280 68.868 -0.037 0.000 0.909 407 T HN 0.307 nan 8.240 nan 0.000 0.501 408 T N 1.716 116.231 114.554 -0.066 0.000 2.857 408 T HA 0.037 4.387 4.350 0.000 0.000 0.266 408 T C 2.077 176.750 174.700 -0.046 0.000 1.048 408 T CA 0.968 63.031 62.100 -0.062 0.000 1.139 408 T CB -0.360 68.456 68.868 -0.087 0.000 0.874 408 T HN 0.257 nan 8.240 nan 0.000 0.455 409 V N 1.075 120.961 119.914 -0.045 0.000 2.323 409 V HA 0.007 4.127 4.120 0.000 0.000 0.244 409 V C 0.774 176.855 176.094 -0.022 0.000 1.041 409 V CA 1.193 63.475 62.300 -0.030 0.000 1.025 409 V CB -0.153 31.655 31.823 -0.025 0.000 0.656 409 V HN 0.453 nan 8.190 nan 0.000 0.451 410 D N -1.641 118.747 120.400 -0.022 0.000 2.323 410 D HA 0.274 4.914 4.640 0.000 0.000 0.242 410 D C -2.236 174.054 176.300 -0.016 0.000 1.347 410 D CA -1.821 52.170 54.000 -0.016 0.000 0.988 410 D CB 1.927 42.721 40.800 -0.011 0.000 1.314 410 D HN -0.023 nan 8.370 nan 0.000 0.564 411 P HA -0.064 nan 4.420 nan 0.000 0.219 411 P C 0.552 177.845 177.300 -0.011 0.000 1.146 411 P CA 0.800 63.891 63.100 -0.015 0.000 0.808 411 P CB 0.295 31.987 31.700 -0.014 0.000 0.779 412 N N -1.396 117.298 118.700 -0.009 0.000 2.322 412 N HA 0.009 4.750 4.740 0.000 0.000 0.194 412 N C 0.267 175.774 175.510 -0.005 0.000 1.126 412 N CA 0.222 53.268 53.050 -0.006 0.000 0.845 412 N CB -0.320 38.164 38.487 -0.005 0.000 0.976 412 N HN 0.064 nan 8.380 nan 0.000 0.475 413 S N 0.945 116.642 115.700 -0.005 0.000 2.563 413 S HA -0.006 4.464 4.470 0.000 0.000 0.294 413 S C 1.184 175.783 174.600 -0.001 0.000 1.279 413 S CA -0.287 57.911 58.200 -0.003 0.000 1.069 413 S CB 0.378 63.576 63.200 -0.003 0.000 0.828 413 S HN 0.351 nan 8.310 nan 0.000 0.497 414 S N 2.190 117.890 115.700 -0.000 0.000 2.597 414 S HA 0.138 4.608 4.470 0.000 0.000 0.224 414 S C 0.846 175.447 174.600 0.002 0.000 0.955 414 S CA 0.094 58.294 58.200 0.001 0.000 0.933 414 S CB -0.211 62.990 63.200 0.001 0.000 0.788 414 S HN 0.944 nan 8.310 nan 0.000 0.488 415 T N -0.319 114.237 114.554 0.002 0.000 3.331 415 T HA 0.260 4.610 4.350 0.000 0.000 0.282 415 T C 0.470 175.174 174.700 0.007 0.000 1.010 415 T CA -0.150 61.952 62.100 0.004 0.000 0.928 415 T CB -0.349 68.520 68.868 0.002 0.000 1.154 415 T HN 0.392 nan 8.240 nan 0.000 0.516 416 T N -1.206 113.353 114.554 0.008 0.000 2.828 416 T HA 0.693 5.043 4.350 0.000 0.000 0.290 416 T C 1.493 176.202 174.700 0.015 0.000 1.019 416 T CA -0.199 61.909 62.100 0.013 0.000 1.031 416 T CB 1.374 70.248 68.868 0.009 0.000 1.001 416 T HN 0.238 nan 8.240 nan 0.000 0.531 417 A N 0.888 123.721 122.820 0.021 0.000 1.924 417 A HA 0.290 4.610 4.320 0.000 0.000 0.211 417 A C 2.295 179.890 177.584 0.019 0.000 1.198 417 A CA 0.099 52.148 52.037 0.020 0.000 0.657 417 A CB -0.672 18.342 19.000 0.023 0.000 0.852 417 A HN 0.812 nan 8.150 nan 0.000 0.454 418 L N 0.246 121.481 121.223 0.021 0.000 2.093 418 L HA -0.054 4.287 4.340 0.000 0.000 0.208 418 L C 0.643 177.523 176.870 0.018 0.000 1.085 418 L CA 0.660 55.511 54.840 0.017 0.000 0.755 418 L CB -0.733 41.337 42.059 0.017 0.000 0.904 418 L HN 0.177 nan 8.230 nan 0.000 0.435 419 T N 0.586 115.150 114.554 0.017 0.000 2.829 419 T HA 0.273 4.623 4.350 0.000 0.000 0.293 419 T C 1.006 175.718 174.700 0.019 0.000 0.970 419 T CA 0.866 62.976 62.100 0.017 0.000 1.168 419 T CB 0.695 69.571 68.868 0.013 0.000 0.911 419 T HN 0.603 nan 8.240 nan 0.000 0.535 420 G N 3.159 111.972 108.800 0.023 0.000 2.157 420 G HA2 -0.274 3.686 3.960 0.000 0.000 0.248 420 G HA3 -0.274 3.686 3.960 0.000 0.000 0.248 420 G C 0.353 175.272 174.900 0.031 0.000 0.979 420 G CA 0.090 45.206 45.100 0.025 0.000 0.650 420 G HN 1.125 nan 8.290 nan 0.000 0.529 421 S N -0.229 115.490 115.700 0.033 0.000 2.584 421 S HA 0.552 5.022 4.470 0.000 0.000 0.273 421 S C 1.684 176.320 174.600 0.059 0.000 1.311 421 S CA 0.863 59.085 58.200 0.037 0.000 1.034 421 S CB 1.546 64.759 63.200 0.021 0.000 0.939 421 S HN 1.356 nan 8.310 nan 0.000 0.513 422 T N -1.170 113.430 114.554 0.077 0.000 2.929 422 T HA -0.153 4.197 4.350 0.000 0.000 0.271 422 T C 1.370 176.193 174.700 0.204 0.000 1.085 422 T CA 1.311 63.492 62.100 0.134 0.000 1.125 422 T CB -0.602 68.360 68.868 0.155 0.000 0.874 422 T HN 0.841 nan 8.240 nan 0.000 0.494 423 E N 1.546 121.783 120.200 0.062 0.000 2.047 423 E HA -0.218 4.132 4.350 0.000 0.000 0.191 423 E C 2.305 178.987 176.600 0.137 0.000 0.987 423 E CA 1.327 57.688 56.400 -0.066 0.000 0.799 423 E CB -0.292 29.245 29.700 -0.272 0.000 0.752 423 E HN 0.780 nan 8.360 nan 0.000 0.449 424 E N -0.400 119.848 120.200 0.081 0.000 2.110 424 E HA -0.133 4.217 4.350 0.000 0.000 0.193 424 E C 1.804 178.468 176.600 0.107 0.000 0.988 424 E CA 1.339 57.788 56.400 0.082 0.000 0.804 424 E CB -0.264 29.464 29.700 0.048 0.000 0.745 424 E HN 0.342 nan 8.360 nan 0.000 0.458 425 G N -0.320 108.549 108.800 0.116 0.000 3.042 425 G HA2 -0.053 3.908 3.960 0.000 0.000 0.212 425 G HA3 -0.053 3.908 3.960 0.000 0.000 0.212 425 G C 0.918 175.875 174.900 0.096 0.000 1.166 425 G CA -0.010 45.144 45.100 0.091 0.000 0.767 425 G HN 0.246 nan 8.290 nan 0.000 0.546 426 Q N -0.834 119.078 119.800 0.187 0.000 2.057 426 Q HA 0.345 4.685 4.340 0.000 0.000 0.216 426 Q C -1.012 174.875 176.000 -0.189 0.000 0.788 426 Q CA -0.244 55.586 55.803 0.045 0.000 1.053 426 Q CB 1.049 29.818 28.738 0.052 0.000 1.210 426 Q HN 0.340 nan 8.270 nan 0.000 0.455 427 F N 0.000 119.963 119.950 0.022 0.000 2.286 427 F HA 0.000 4.527 4.527 0.000 0.000 0.279 427 F CA 0.000 58.027 58.000 0.044 0.000 1.383 427 F CB 0.000 39.056 39.000 0.092 0.000 1.145 427 F HN 0.000 nan 8.300 nan 0.000 0.574