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 2a5k_1_B DATA FIRST_RESID 1 DATA SEQUENCE SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML DATA SEQUENCE NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK DATA SEQUENCE YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF DATA SEQUENCE NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI DATA SEQUENCE TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL DATA SEQUENCE GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.630 174.600 0.050 0.000 1.055 1 S CA 0.000 58.211 58.200 0.018 0.000 1.107 1 S CB 0.000 63.213 63.200 0.022 0.000 0.593 2 G N 0.663 109.511 108.800 0.080 0.000 3.391 2 G HA2 0.167 4.127 3.960 -0.000 0.000 0.683 2 G HA3 0.167 4.127 3.960 -0.000 0.000 0.683 2 G C -1.230 173.775 174.900 0.174 0.000 1.071 2 G CA -0.289 44.869 45.100 0.097 0.000 0.904 2 G HN 1.186 nan 8.290 nan 0.000 0.452 3 F N 3.605 123.541 119.950 -0.022 0.000 2.651 3 F HA 0.747 5.274 4.527 -0.000 0.000 0.329 3 F C -0.328 175.478 175.800 0.010 0.000 1.186 3 F CA -0.836 57.129 58.000 -0.058 0.000 1.046 3 F CB 1.521 40.446 39.000 -0.124 0.000 1.296 3 F HN 0.620 nan 8.300 nan 0.000 0.497 4 R N 4.195 124.388 120.500 -0.510 0.000 2.698 4 R HA 0.387 4.727 4.340 -0.000 0.000 0.275 4 R C -1.088 175.172 176.300 -0.066 0.000 1.001 4 R CA -1.321 54.695 56.100 -0.140 0.000 0.896 4 R CB 2.483 32.731 30.300 -0.086 0.000 1.218 4 R HN 0.455 nan 8.270 nan 0.000 0.462 5 K N 4.058 124.602 120.400 0.239 0.000 2.472 5 K HA 0.060 4.380 4.320 -0.000 0.000 0.280 5 K C 0.378 176.942 176.600 -0.059 0.000 1.028 5 K CA 0.614 56.951 56.287 0.084 0.000 1.045 5 K CB 0.200 32.608 32.500 -0.154 0.000 0.902 5 K HN 0.572 nan 8.250 nan 0.000 0.478 6 M N -0.436 119.092 119.600 -0.121 0.000 2.619 6 M HA 0.673 5.153 4.480 -0.000 0.000 0.297 6 M C -0.980 175.168 176.300 -0.253 0.000 1.229 6 M CA -1.020 54.178 55.300 -0.170 0.000 0.860 6 M CB 2.326 34.822 32.600 -0.173 0.000 1.741 6 M HN 0.392 nan 8.290 nan 0.000 0.462 7 A N 1.362 124.055 122.820 -0.212 0.000 2.269 7 A HA 0.819 5.139 4.320 -0.000 0.000 0.319 7 A C -0.988 176.450 177.584 -0.244 0.000 1.110 7 A CA -0.569 51.328 52.037 -0.234 0.000 0.847 7 A CB 0.490 19.422 19.000 -0.113 0.000 1.161 7 A HN 0.707 nan 8.150 nan 0.000 0.497 8 F N 0.690 120.599 119.950 -0.067 0.000 2.459 8 F HA 0.343 4.870 4.527 -0.000 0.000 0.346 8 F C -1.639 174.241 175.800 0.133 0.000 1.128 8 F CA -1.361 56.673 58.000 0.055 0.000 1.268 8 F CB 0.001 39.089 39.000 0.147 0.000 1.161 8 F HN 0.285 nan 8.300 nan 0.000 0.583 9 P HA -0.013 nan 4.420 nan 0.000 0.264 9 P C 0.178 177.629 177.300 0.251 0.000 1.183 9 P CA 0.327 63.551 63.100 0.207 0.000 0.763 9 P CB 0.513 32.299 31.700 0.143 0.000 0.807 10 S N 1.239 117.057 115.700 0.196 0.000 2.535 10 S HA 0.055 4.525 4.470 -0.000 0.000 0.214 10 S C 2.073 176.684 174.600 0.018 0.000 0.980 10 S CA 0.386 58.692 58.200 0.178 0.000 0.907 10 S CB -0.837 62.485 63.200 0.203 0.000 0.790 10 S HN 0.479 nan 8.310 nan 0.000 0.510 11 G N 2.789 111.607 108.800 0.029 0.000 2.574 11 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.220 11 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.220 11 G C 1.448 176.325 174.900 -0.037 0.000 1.173 11 G CA 1.297 46.398 45.100 0.002 0.000 0.772 11 G HN 0.564 nan 8.290 nan 0.000 0.585 12 K N -0.454 119.904 120.400 -0.070 0.000 2.103 12 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 12 K C 2.571 179.100 176.600 -0.117 0.000 1.048 12 K CA 1.276 57.506 56.287 -0.095 0.000 0.930 12 K CB -0.192 32.235 32.500 -0.122 0.000 0.716 12 K HN 0.282 nan 8.250 nan 0.000 0.444 13 V N 1.171 120.953 119.914 -0.220 0.000 2.649 13 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 13 V C 1.734 177.798 176.094 -0.051 0.000 1.054 13 V CA 1.383 63.576 62.300 -0.178 0.000 1.073 13 V CB -0.319 31.205 31.823 -0.498 0.000 0.699 13 V HN 0.296 nan 8.190 nan 0.000 0.463 14 E N 1.060 121.240 120.200 -0.034 0.000 2.085 14 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 14 E C 2.309 178.925 176.600 0.026 0.000 0.994 14 E CA 1.352 57.762 56.400 0.016 0.000 0.801 14 E CB -0.512 29.205 29.700 0.028 0.000 0.743 14 E HN 0.636 nan 8.360 nan 0.000 0.453 15 G N 0.390 109.194 108.800 0.006 0.000 2.516 15 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.221 15 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.221 15 G C 1.331 176.241 174.900 0.017 0.000 1.107 15 G CA 0.940 46.043 45.100 0.006 0.000 0.747 15 G HN 0.318 nan 8.290 nan 0.000 0.567 16 C N 0.376 119.691 119.300 0.025 0.000 2.906 16 C HA 0.462 4.922 4.460 -0.000 0.000 0.274 16 C C 0.569 175.628 174.990 0.116 0.000 1.257 16 C CA -0.892 58.155 59.018 0.048 0.000 1.695 16 C CB -0.757 26.969 27.740 -0.023 0.000 1.958 16 C HN 0.223 nan 8.230 nan 0.000 0.619 17 M N 2.332 121.990 119.600 0.096 0.000 2.180 17 M HA 0.450 4.930 4.480 -0.000 0.000 0.358 17 M C -0.076 176.277 176.300 0.089 0.000 1.233 17 M CA 0.043 55.387 55.300 0.073 0.000 1.114 17 M CB 0.617 33.247 32.600 0.051 0.000 1.594 17 M HN 0.233 nan 8.290 nan 0.000 0.467 18 V N 1.605 121.547 119.914 0.047 0.000 3.141 18 V HA 0.667 4.786 4.120 -0.000 0.000 0.312 18 V C -0.949 175.128 176.094 -0.029 0.000 1.157 18 V CA -1.026 61.274 62.300 0.001 0.000 1.041 18 V CB 2.141 33.919 31.823 -0.075 0.000 1.071 18 V HN 0.854 nan 8.190 nan 0.000 0.441 19 Q N 1.057 120.832 119.800 -0.042 0.000 2.325 19 Q HA 0.697 5.037 4.340 -0.000 0.000 0.262 19 Q C -1.707 174.263 176.000 -0.050 0.000 0.968 19 Q CA -0.590 55.194 55.803 -0.032 0.000 0.877 19 Q CB 1.962 30.693 28.738 -0.012 0.000 1.253 19 Q HN 0.806 nan 8.270 nan 0.000 0.448 20 V N 3.613 123.501 119.914 -0.043 0.000 2.417 20 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 20 V C -0.286 175.810 176.094 0.003 0.000 1.024 20 V CA -0.536 61.747 62.300 -0.029 0.000 0.861 20 V CB 1.804 33.600 31.823 -0.045 0.000 0.985 20 V HN 0.834 nan 8.190 nan 0.000 0.436 21 T N 3.586 118.153 114.554 0.022 0.000 2.824 21 T HA 0.457 4.807 4.350 -0.000 0.000 0.282 21 T C -0.880 173.825 174.700 0.010 0.000 0.993 21 T CA -0.332 61.777 62.100 0.015 0.000 0.967 21 T CB 1.293 70.160 68.868 -0.002 0.000 0.960 21 T HN 0.821 nan 8.240 nan 0.000 0.441 22 C N 3.639 122.928 119.300 -0.019 0.000 2.432 22 C HA 0.745 5.205 4.460 -0.000 0.000 0.334 22 C C 1.276 176.206 174.990 -0.099 0.000 1.155 22 C CA 0.885 59.829 59.018 -0.124 0.000 1.335 22 C CB -0.719 26.921 27.740 -0.167 0.000 1.964 22 C HN 1.259 nan 8.230 nan 0.000 0.444 23 G N 5.303 114.032 108.800 -0.118 0.000 2.574 23 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.301 23 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.301 23 G C 0.966 175.840 174.900 -0.042 0.000 1.166 23 G CA 1.388 46.441 45.100 -0.077 0.000 0.971 23 G HN 1.857 nan 8.290 nan 0.000 0.542 24 T N -2.049 112.492 114.554 -0.023 0.000 3.069 24 T HA 0.486 4.836 4.350 -0.000 0.000 0.252 24 T C 0.807 175.514 174.700 0.010 0.000 1.053 24 T CA 1.389 63.485 62.100 -0.005 0.000 0.964 24 T CB 0.313 69.181 68.868 -0.000 0.000 1.005 24 T HN 0.733 nan 8.240 nan 0.000 0.532 25 T N 2.946 117.507 114.554 0.012 0.000 2.767 25 T HA 0.526 4.876 4.350 -0.000 0.000 0.288 25 T C -0.566 174.150 174.700 0.026 0.000 0.963 25 T CA -0.258 61.862 62.100 0.033 0.000 1.019 25 T CB 1.396 70.295 68.868 0.052 0.000 0.923 25 T HN 0.204 nan 8.240 nan 0.000 0.468 26 T N 5.012 119.588 114.554 0.036 0.000 2.812 26 T HA 0.656 5.006 4.350 -0.000 0.000 0.282 26 T C -0.572 174.147 174.700 0.032 0.000 0.990 26 T CA -0.719 61.398 62.100 0.029 0.000 0.960 26 T CB 0.762 69.651 68.868 0.034 0.000 0.948 26 T HN 0.454 nan 8.240 nan 0.000 0.438 27 L N 1.004 122.227 121.223 0.000 0.000 2.309 27 L HA 0.779 5.119 4.340 -0.000 0.000 0.240 27 L C -0.681 176.159 176.870 -0.050 0.000 1.136 27 L CA -1.168 53.660 54.840 -0.021 0.000 0.985 27 L CB 0.508 42.530 42.059 -0.061 0.000 1.572 27 L HN 0.252 nan 8.230 nan 0.000 0.426 28 N N -0.413 118.238 118.700 -0.083 0.000 2.492 28 N HA 0.731 5.471 4.740 -0.000 0.000 0.289 28 N C -0.542 174.909 175.510 -0.099 0.000 1.133 28 N CA 0.059 53.061 53.050 -0.079 0.000 0.961 28 N CB 1.844 40.280 38.487 -0.085 0.000 1.186 28 N HN 1.008 nan 8.380 nan 0.000 0.493 29 G N -0.214 108.542 108.800 -0.074 0.000 2.680 29 G HA2 0.575 4.535 3.960 -0.000 0.000 0.290 29 G HA3 0.575 4.535 3.960 -0.000 0.000 0.290 29 G C -1.676 173.206 174.900 -0.029 0.000 1.355 29 G CA -0.410 44.646 45.100 -0.073 0.000 0.903 29 G HN 0.383 nan 8.290 nan 0.000 0.474 30 L N 0.364 121.585 121.223 -0.005 0.000 2.325 30 L HA 0.743 5.083 4.340 -0.000 0.000 0.281 30 L C -1.548 175.416 176.870 0.157 0.000 1.004 30 L CA -0.900 53.940 54.840 -0.001 0.000 0.823 30 L CB 1.511 43.456 42.059 -0.191 0.000 1.236 30 L HN 0.574 nan 8.230 nan 0.000 0.415 31 W N 8.034 129.283 121.300 -0.084 0.000 2.282 31 W HA 0.602 5.262 4.660 -0.000 0.000 0.322 31 W C -1.959 174.511 176.519 -0.081 0.000 1.011 31 W CA -1.420 55.886 57.345 -0.065 0.000 1.392 31 W CB 0.603 30.026 29.460 -0.061 0.000 1.215 31 W HN 0.358 nan 8.180 nan 0.000 0.394 32 L N 7.859 129.145 121.223 0.105 0.000 2.356 32 L HA 0.310 4.650 4.340 -0.000 0.000 0.277 32 L C 0.671 177.519 176.870 -0.036 0.000 0.996 32 L CA -0.792 53.960 54.840 -0.146 0.000 0.822 32 L CB 1.660 43.484 42.059 -0.392 0.000 1.256 32 L HN 0.366 nan 8.230 nan 0.000 0.413 33 D N 1.779 122.096 120.400 -0.138 0.000 3.740 33 D HA -0.300 4.340 4.640 -0.000 0.000 0.147 33 D C 0.560 176.885 176.300 0.042 0.000 0.885 33 D CA 2.114 56.076 54.000 -0.063 0.000 1.051 33 D CB -0.323 40.507 40.800 0.050 0.000 0.480 33 D HN 0.943 nan 8.370 nan 0.000 0.469 34 D N 0.683 121.158 120.400 0.124 0.000 2.358 34 D HA 0.099 4.739 4.640 -0.000 0.000 0.224 34 D C -0.276 176.105 176.300 0.136 0.000 1.123 34 D CA 0.182 54.297 54.000 0.191 0.000 0.833 34 D CB -0.096 40.766 40.800 0.103 0.000 0.946 34 D HN 0.154 nan 8.370 nan 0.000 0.505 35 T N -0.143 114.488 114.554 0.128 0.000 2.861 35 T HA 0.465 4.815 4.350 -0.000 0.000 0.287 35 T C -0.429 174.223 174.700 -0.079 0.000 1.003 35 T CA -0.626 61.419 62.100 -0.091 0.000 0.977 35 T CB 2.552 71.262 68.868 -0.264 0.000 0.996 35 T HN -0.146 nan 8.240 nan 0.000 0.448 36 V N 3.471 123.237 119.914 -0.246 0.000 2.435 36 V HA 0.456 4.576 4.120 -0.000 0.000 0.290 36 V C -1.164 174.704 176.094 -0.378 0.000 1.030 36 V CA -0.872 61.310 62.300 -0.196 0.000 0.881 36 V CB 0.768 32.466 31.823 -0.210 0.000 0.983 36 V HN 0.812 nan 8.190 nan 0.000 0.445 37 Y N 3.600 123.828 120.300 -0.120 0.000 2.360 37 Y HA 0.684 5.234 4.550 -0.000 0.000 0.337 37 Y C 0.448 176.228 175.900 -0.200 0.000 1.039 37 Y CA -0.587 57.415 58.100 -0.163 0.000 1.109 37 Y CB 1.776 40.121 38.460 -0.192 0.000 1.201 37 Y HN 0.876 nan 8.280 nan 0.000 0.458 38 C N 1.516 120.757 119.300 -0.098 0.000 3.288 38 C HA 0.679 5.138 4.460 -0.000 0.000 0.318 38 C C -3.073 171.764 174.990 -0.255 0.000 1.356 38 C CA -2.901 56.006 59.018 -0.185 0.000 1.359 38 C CB 1.790 29.421 27.740 -0.182 0.000 1.688 38 C HN 0.515 nan 8.230 nan 0.000 0.467 39 P HA 0.196 nan 4.420 nan 0.000 0.265 39 P C 0.804 177.886 177.300 -0.363 0.000 1.193 39 P CA 0.129 62.900 63.100 -0.548 0.000 0.765 39 P CB 0.439 31.504 31.700 -1.059 0.000 0.823 40 R N 4.412 124.794 120.500 -0.196 0.000 2.237 40 R HA -0.159 4.181 4.340 -0.000 0.000 0.219 40 R C 1.535 177.866 176.300 0.052 0.000 1.080 40 R CA 1.222 57.256 56.100 -0.110 0.000 0.995 40 R CB -0.948 29.228 30.300 -0.206 0.000 0.875 40 R HN 0.624 nan 8.270 nan 0.000 0.462 41 H N -0.078 119.058 119.070 0.110 0.000 2.561 41 H HA 0.011 4.567 4.556 -0.000 0.000 0.278 41 H C 1.693 177.113 175.328 0.154 0.000 1.014 41 H CA 0.782 56.980 56.048 0.249 0.000 1.211 41 H CB -0.159 29.738 29.762 0.225 0.000 1.365 41 H HN 0.139 nan 8.280 nan 0.000 0.594 42 V N 2.689 122.560 119.914 -0.071 0.000 2.688 42 V HA -0.206 3.914 4.120 -0.000 0.000 0.256 42 V C 2.246 178.401 176.094 0.101 0.000 1.084 42 V CA 1.636 63.940 62.300 0.008 0.000 1.103 42 V CB -0.669 31.137 31.823 -0.027 0.000 0.688 42 V HN 0.646 nan 8.190 nan 0.000 0.480 43 I N -2.967 117.701 120.570 0.163 0.000 3.812 43 I HA 0.192 4.362 4.170 -0.000 0.000 0.320 43 I C 1.003 177.176 176.117 0.093 0.000 1.276 43 I CA -0.436 60.940 61.300 0.127 0.000 1.164 43 I CB -0.901 37.204 38.000 0.176 0.000 1.009 43 I HN 0.130 nan 8.210 nan 0.000 0.431 44 C N 1.762 121.138 119.300 0.126 0.000 2.470 44 C HA 0.636 5.096 4.460 -0.000 0.000 0.350 44 C C 1.094 176.106 174.990 0.036 0.000 1.341 44 C CA 0.115 59.172 59.018 0.065 0.000 2.440 44 C CB 1.162 28.961 27.740 0.099 0.000 2.295 44 C HN 0.667 nan 8.230 nan 0.000 0.645 45 T N -2.085 112.475 114.554 0.010 0.000 2.883 45 T HA 0.593 4.943 4.350 -0.000 0.000 0.296 45 T C 0.630 175.332 174.700 0.004 0.000 1.117 45 T CA -0.011 62.092 62.100 0.005 0.000 1.006 45 T CB 1.383 70.244 68.868 -0.011 0.000 1.191 45 T HN 0.851 nan 8.240 nan 0.000 0.508 46 A N 1.685 124.509 122.820 0.006 0.000 1.894 46 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 46 A C 2.210 179.792 177.584 -0.003 0.000 1.237 46 A CA 2.534 54.574 52.037 0.005 0.000 0.660 46 A CB -1.301 17.702 19.000 0.004 0.000 0.835 46 A HN 1.013 nan 8.150 nan 0.000 0.461 47 E N 0.662 120.857 120.200 -0.009 0.000 2.086 47 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 47 E C 0.121 176.709 176.600 -0.019 0.000 1.012 47 E CA 1.537 57.929 56.400 -0.013 0.000 0.812 47 E CB -0.756 28.934 29.700 -0.016 0.000 0.743 47 E HN 0.844 nan 8.360 nan 0.000 0.453 48 D N -0.599 119.785 120.400 -0.027 0.000 2.634 48 D HA 0.241 4.881 4.640 -0.000 0.000 0.318 48 D C 0.655 176.924 176.300 -0.052 0.000 1.226 48 D CA -0.251 53.723 54.000 -0.043 0.000 0.899 48 D CB 0.327 41.090 40.800 -0.060 0.000 1.025 48 D HN 0.066 nan 8.370 nan 0.000 0.501 49 M N -0.130 119.452 119.600 -0.029 0.000 2.516 49 M HA 0.166 4.646 4.480 -0.000 0.000 0.259 49 M C 1.561 177.851 176.300 -0.017 0.000 1.146 49 M CA 0.154 55.444 55.300 -0.017 0.000 1.122 49 M CB 0.321 32.919 32.600 -0.003 0.000 1.341 49 M HN 0.209 nan 8.290 nan 0.000 0.478 50 L N 0.303 121.514 121.223 -0.020 0.000 1.961 50 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 50 L C 0.603 177.461 176.870 -0.020 0.000 1.072 50 L CA 1.077 55.908 54.840 -0.015 0.000 0.749 50 L CB -0.446 41.605 42.059 -0.014 0.000 0.889 50 L HN 0.293 nan 8.230 nan 0.000 0.432 51 N N -0.269 118.408 118.700 -0.037 0.000 2.918 51 N HA 0.240 4.980 4.740 -0.000 0.000 0.270 51 N C -2.435 173.015 175.510 -0.099 0.000 1.536 51 N CA -1.215 51.806 53.050 -0.047 0.000 0.877 51 N CB 0.722 39.190 38.487 -0.031 0.000 1.190 51 N HN 0.071 nan 8.380 nan 0.000 0.492 52 P HA 0.118 nan 4.420 nan 0.000 0.275 52 P C -0.409 176.691 177.300 -0.333 0.000 1.227 52 P CA -0.230 62.657 63.100 -0.354 0.000 0.781 52 P CB 1.051 32.335 31.700 -0.692 0.000 0.906 53 N N 2.543 121.092 118.700 -0.251 0.000 2.609 53 N HA 0.084 4.824 4.740 -0.000 0.000 0.234 53 N C 0.457 175.901 175.510 -0.109 0.000 1.001 53 N CA -0.339 52.635 53.050 -0.127 0.000 0.926 53 N CB 0.147 38.604 38.487 -0.049 0.000 1.130 53 N HN 0.272 nan 8.380 nan 0.000 0.510 54 Y N 1.543 121.873 120.300 0.049 0.000 2.242 54 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 54 Y C 2.125 178.060 175.900 0.058 0.000 1.137 54 Y CA 1.032 59.168 58.100 0.061 0.000 1.181 54 Y CB 0.384 38.887 38.460 0.071 0.000 0.989 54 Y HN 0.532 nan 8.280 nan 0.000 0.527 55 E N 0.164 120.480 120.200 0.194 0.000 2.077 55 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 55 E C 1.329 177.985 176.600 0.094 0.000 0.989 55 E CA 1.347 57.823 56.400 0.127 0.000 0.800 55 E CB -0.589 29.167 29.700 0.093 0.000 0.746 55 E HN 0.541 nan 8.360 nan 0.000 0.452 56 D N 1.364 121.803 120.400 0.065 0.000 2.092 56 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 56 D C 2.361 178.692 176.300 0.051 0.000 0.994 56 D CA 0.942 54.967 54.000 0.042 0.000 0.828 56 D CB -0.229 40.579 40.800 0.014 0.000 0.963 56 D HN 0.156 nan 8.370 nan 0.000 0.450 57 L N 0.422 121.674 121.223 0.049 0.000 2.079 57 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 57 L C 2.516 179.441 176.870 0.092 0.000 1.081 57 L CA 0.496 55.365 54.840 0.048 0.000 0.752 57 L CB -0.282 41.799 42.059 0.036 0.000 0.896 57 L HN 0.060 nan 8.230 nan 0.000 0.433 58 L N 0.208 121.519 121.223 0.146 0.000 2.217 58 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 58 L C 2.208 179.203 176.870 0.210 0.000 1.107 58 L CA 1.315 56.279 54.840 0.207 0.000 0.783 58 L CB -0.232 41.961 42.059 0.223 0.000 0.919 58 L HN 0.271 nan 8.230 nan 0.000 0.442 59 I N -3.314 117.339 120.570 0.138 0.000 2.333 59 I HA -0.121 4.049 4.170 -0.000 0.000 0.246 59 I C 2.315 178.494 176.117 0.104 0.000 1.106 59 I CA 0.766 62.141 61.300 0.125 0.000 1.411 59 I CB -0.747 37.298 38.000 0.076 0.000 1.082 59 I HN 0.015 nan 8.210 nan 0.000 0.420 60 R N 1.307 121.845 120.500 0.063 0.000 2.226 60 R HA -0.096 4.244 4.340 -0.000 0.000 0.246 60 R C 0.275 176.578 176.300 0.004 0.000 1.161 60 R CA 1.018 57.133 56.100 0.026 0.000 0.997 60 R CB -0.577 29.725 30.300 0.004 0.000 0.870 60 R HN 0.322 nan 8.270 nan 0.000 0.465 61 K N 1.011 121.419 120.400 0.013 0.000 2.172 61 K HA 0.120 4.440 4.320 -0.000 0.000 0.276 61 K C -0.057 176.506 176.600 -0.061 0.000 1.013 61 K CA -0.250 55.967 56.287 -0.116 0.000 0.913 61 K CB 1.628 34.000 32.500 -0.213 0.000 1.055 61 K HN 0.018 nan 8.250 nan 0.000 0.461 62 S N 1.443 117.073 115.700 -0.115 0.000 2.768 62 S HA 0.341 4.811 4.470 -0.000 0.000 0.300 62 S C 0.725 175.270 174.600 -0.091 0.000 1.122 62 S CA -0.598 57.609 58.200 0.011 0.000 0.995 62 S CB 0.731 63.946 63.200 0.025 0.000 1.195 62 S HN 0.484 nan 8.310 nan 0.000 0.547 63 N N 0.992 119.703 118.700 0.018 0.000 2.166 63 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 63 N C 1.555 177.087 175.510 0.037 0.000 1.019 63 N CA 1.413 54.517 53.050 0.091 0.000 0.856 63 N CB -1.005 37.476 38.487 -0.009 0.000 0.993 63 N HN 0.630 nan 8.380 nan 0.000 0.426 64 H N 0.848 119.936 119.070 0.030 0.000 2.390 64 H HA 0.002 4.558 4.556 -0.000 0.000 0.298 64 H C 1.709 176.962 175.328 -0.125 0.000 1.106 64 H CA 1.050 57.078 56.048 -0.033 0.000 1.297 64 H CB -0.498 29.239 29.762 -0.041 0.000 1.375 64 H HN 0.165 nan 8.280 nan 0.000 0.509 65 S N 0.224 115.821 115.700 -0.171 0.000 2.547 65 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 65 S C 0.044 174.236 174.600 -0.679 0.000 0.980 65 S CA 0.404 58.328 58.200 -0.460 0.000 0.941 65 S CB -0.249 62.541 63.200 -0.684 0.000 0.763 65 S HN 0.112 nan 8.310 nan 0.000 0.532 66 F N 1.502 121.397 119.950 -0.092 0.000 2.467 66 F HA 0.555 5.082 4.527 -0.000 0.000 0.336 66 F C -0.494 175.260 175.800 -0.077 0.000 1.123 66 F CA -1.493 56.448 58.000 -0.099 0.000 0.964 66 F CB 1.212 40.133 39.000 -0.132 0.000 1.136 66 F HN -0.144 nan 8.300 nan 0.000 0.447 67 L N 2.192 123.463 121.223 0.081 0.000 2.333 67 L HA 0.937 5.277 4.340 -0.000 0.000 0.280 67 L C -1.037 175.829 176.870 -0.007 0.000 1.004 67 L CA -0.907 53.949 54.840 0.025 0.000 0.820 67 L CB 1.459 43.516 42.059 -0.002 0.000 1.247 67 L HN 0.301 nan 8.230 nan 0.000 0.416 68 V N 2.911 122.791 119.914 -0.056 0.000 2.495 68 V HA 0.564 4.684 4.120 -0.000 0.000 0.298 68 V C -0.346 175.663 176.094 -0.142 0.000 1.031 68 V CA -0.300 61.928 62.300 -0.120 0.000 0.871 68 V CB 1.653 33.355 31.823 -0.202 0.000 0.988 68 V HN 0.886 nan 8.190 nan 0.000 0.432 69 Q N 2.640 122.364 119.800 -0.125 0.000 2.321 69 Q HA 0.750 5.090 4.340 -0.000 0.000 0.270 69 Q C -0.619 175.317 176.000 -0.107 0.000 1.032 69 Q CA -0.441 55.298 55.803 -0.106 0.000 0.784 69 Q CB 2.450 31.157 28.738 -0.052 0.000 1.264 69 Q HN 0.922 nan 8.270 nan 0.000 0.448 70 A N 2.342 125.089 122.820 -0.120 0.000 2.253 70 A HA 0.749 5.069 4.320 -0.000 0.000 0.316 70 A C 0.825 178.423 177.584 0.024 0.000 1.327 70 A CA 0.374 52.391 52.037 -0.034 0.000 0.917 70 A CB 0.032 19.014 19.000 -0.030 0.000 1.162 70 A HN 0.910 nan 8.150 nan 0.000 0.535 71 G N 3.169 111.994 108.800 0.041 0.000 2.672 71 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.324 71 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.324 71 G C 0.632 175.545 174.900 0.022 0.000 1.286 71 G CA 0.897 46.022 45.100 0.040 0.000 1.004 71 G HN 1.470 nan 8.290 nan 0.000 0.548 72 N N -0.253 118.461 118.700 0.023 0.000 2.313 72 N HA 0.322 5.062 4.740 -0.000 0.000 0.207 72 N C -0.198 175.315 175.510 0.004 0.000 1.141 72 N CA -0.015 53.043 53.050 0.013 0.000 0.830 72 N CB 0.737 39.234 38.487 0.017 0.000 1.008 72 N HN 0.387 nan 8.380 nan 0.000 0.481 73 V N 1.458 121.369 119.914 -0.004 0.000 2.357 73 V HA 0.107 4.227 4.120 -0.000 0.000 0.284 73 V C 0.141 176.199 176.094 -0.059 0.000 1.018 73 V CA -0.842 61.448 62.300 -0.018 0.000 0.841 73 V CB 1.451 33.275 31.823 0.002 0.000 0.991 73 V HN 0.335 nan 8.190 nan 0.000 0.437 74 Q N 4.848 124.616 119.800 -0.052 0.000 2.330 74 Q HA 0.276 4.616 4.340 -0.000 0.000 0.279 74 Q C -1.248 174.687 176.000 -0.109 0.000 1.024 74 Q CA 0.008 55.767 55.803 -0.073 0.000 0.900 74 Q CB 0.729 29.442 28.738 -0.042 0.000 1.221 74 Q HN 0.659 nan 8.270 nan 0.000 0.396 75 L N 4.700 125.820 121.223 -0.172 0.000 2.282 75 L HA 0.459 4.799 4.340 -0.000 0.000 0.288 75 L C 0.387 177.174 176.870 -0.139 0.000 1.033 75 L CA -0.584 54.125 54.840 -0.218 0.000 0.807 75 L CB 1.374 43.175 42.059 -0.431 0.000 1.209 75 L HN 0.610 nan 8.230 nan 0.000 0.423 76 R N 2.287 122.734 120.500 -0.088 0.000 2.351 76 R HA 0.266 4.606 4.340 -0.000 0.000 0.318 76 R C -0.751 175.515 176.300 -0.057 0.000 1.055 76 R CA -0.378 55.696 56.100 -0.044 0.000 0.968 76 R CB 0.695 30.986 30.300 -0.016 0.000 0.974 76 R HN 0.383 nan 8.270 nan 0.000 0.439 77 V N 7.325 127.215 119.914 -0.040 0.000 2.614 77 V HA 0.078 4.198 4.120 -0.000 0.000 0.291 77 V C 1.130 177.212 176.094 -0.021 0.000 1.049 77 V CA 0.194 62.467 62.300 -0.045 0.000 1.038 77 V CB 1.204 33.025 31.823 -0.004 0.000 0.980 77 V HN 0.801 nan 8.190 nan 0.000 0.481 78 I N 1.200 121.751 120.570 -0.032 0.000 4.219 78 I HA 0.748 4.918 4.170 -0.000 0.000 0.329 78 I C 0.450 176.549 176.117 -0.030 0.000 1.427 78 I CA -0.119 61.166 61.300 -0.025 0.000 1.151 78 I CB 0.853 38.839 38.000 -0.025 0.000 1.369 78 I HN 0.616 nan 8.210 nan 0.000 0.521 79 G N 1.789 110.572 108.800 -0.029 0.000 2.716 79 G HA2 0.509 4.469 3.960 -0.000 0.000 0.299 79 G HA3 0.509 4.469 3.960 -0.000 0.000 0.299 79 G C -1.723 173.132 174.900 -0.075 0.000 1.450 79 G CA -0.470 44.583 45.100 -0.079 0.000 0.968 79 G HN 0.415 nan 8.290 nan 0.000 0.566 80 H N -0.707 118.282 119.070 -0.134 0.000 2.771 80 H HA 0.864 5.420 4.556 -0.000 0.000 0.361 80 H C -0.555 174.695 175.328 -0.131 0.000 1.108 80 H CA -0.520 55.398 56.048 -0.216 0.000 1.201 80 H CB 1.815 31.386 29.762 -0.318 0.000 1.681 80 H HN 0.971 nan 8.280 nan 0.000 0.534 81 S N 2.706 118.337 115.700 -0.115 0.000 2.688 81 S HA 0.577 5.047 4.470 -0.000 0.000 0.275 81 S C -0.770 173.797 174.600 -0.055 0.000 1.175 81 S CA -1.114 57.035 58.200 -0.084 0.000 0.818 81 S CB 2.608 65.750 63.200 -0.097 0.000 1.157 81 S HN 0.717 nan 8.310 nan 0.000 0.482 82 M N 1.437 121.020 119.600 -0.029 0.000 2.321 82 M HA 0.498 4.978 4.480 -0.000 0.000 0.315 82 M C -1.367 174.916 176.300 -0.027 0.000 1.052 82 M CA -0.229 55.054 55.300 -0.028 0.000 0.936 82 M CB 1.967 34.568 32.600 0.002 0.000 1.639 82 M HN 0.857 nan 8.290 nan 0.000 0.433 83 Q N 4.600 124.382 119.800 -0.030 0.000 2.363 83 Q HA 0.335 4.675 4.340 -0.000 0.000 0.265 83 Q C -0.395 175.582 176.000 -0.038 0.000 1.032 83 Q CA -0.430 55.363 55.803 -0.016 0.000 0.746 83 Q CB 0.801 29.549 28.738 0.016 0.000 1.237 83 Q HN 1.041 nan 8.270 nan 0.000 0.475 84 N N 1.481 120.158 118.700 -0.039 0.000 1.241 84 N HA -0.302 4.438 4.740 -0.000 0.000 0.135 84 N C 0.237 175.697 175.510 -0.085 0.000 0.723 84 N CA 1.952 54.970 53.050 -0.054 0.000 0.950 84 N CB -1.192 37.255 38.487 -0.067 0.000 1.215 84 N HN 0.710 nan 8.380 nan 0.000 0.520 85 C N 1.670 120.906 119.300 -0.106 0.000 2.673 85 C HA 0.424 4.883 4.460 -0.000 0.000 0.274 85 C C 0.994 175.940 174.990 -0.074 0.000 1.276 85 C CA -0.456 58.492 59.018 -0.117 0.000 1.701 85 C CB -1.507 26.160 27.740 -0.122 0.000 1.836 85 C HN 0.169 nan 8.230 nan 0.000 0.596 86 L N 0.635 121.807 121.223 -0.084 0.000 2.344 86 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 86 L C -0.192 176.627 176.870 -0.086 0.000 1.035 86 L CA -0.477 54.319 54.840 -0.074 0.000 0.807 86 L CB 1.034 43.071 42.059 -0.037 0.000 1.237 86 L HN 0.028 nan 8.230 nan 0.000 0.442 87 L N 2.257 123.411 121.223 -0.115 0.000 2.325 87 L HA 0.478 4.818 4.340 -0.000 0.000 0.279 87 L C -0.132 176.623 176.870 -0.192 0.000 1.054 87 L CA -0.597 54.156 54.840 -0.146 0.000 0.804 87 L CB 1.259 43.195 42.059 -0.204 0.000 1.200 87 L HN 0.546 nan 8.230 nan 0.000 0.436 88 R N 4.170 124.539 120.500 -0.217 0.000 2.310 88 R HA 0.529 4.869 4.340 -0.000 0.000 0.324 88 R C -1.203 174.908 176.300 -0.315 0.000 0.955 88 R CA -0.634 55.268 56.100 -0.330 0.000 0.830 88 R CB 1.370 31.506 30.300 -0.273 0.000 1.154 88 R HN 0.492 nan 8.270 nan 0.000 0.458 89 L N 3.248 124.251 121.223 -0.365 0.000 2.272 89 L HA 0.407 4.747 4.340 -0.000 0.000 0.289 89 L C 0.322 177.045 176.870 -0.246 0.000 1.032 89 L CA -0.612 54.032 54.840 -0.328 0.000 0.810 89 L CB 1.305 43.129 42.059 -0.391 0.000 1.205 89 L HN 0.354 nan 8.230 nan 0.000 0.422 90 K N 3.553 123.848 120.400 -0.174 0.000 2.339 90 K HA 0.450 4.770 4.320 -0.000 0.000 0.286 90 K C -0.526 176.017 176.600 -0.096 0.000 1.050 90 K CA -0.470 55.748 56.287 -0.114 0.000 0.956 90 K CB 1.063 33.513 32.500 -0.084 0.000 0.990 90 K HN 0.498 nan 8.250 nan 0.000 0.475 91 V N 0.687 120.562 119.914 -0.066 0.000 3.096 91 V HA 0.293 4.413 4.120 -0.000 0.000 0.319 91 V C 0.653 176.745 176.094 -0.004 0.000 1.103 91 V CA -0.583 61.675 62.300 -0.070 0.000 1.016 91 V CB 1.660 33.383 31.823 -0.166 0.000 1.090 91 V HN 0.911 nan 8.190 nan 0.000 0.449 92 D N -0.300 120.094 120.400 -0.009 0.000 2.355 92 D HA 0.029 4.669 4.640 -0.000 0.000 0.218 92 D C 0.562 176.901 176.300 0.066 0.000 1.004 92 D CA 0.458 54.470 54.000 0.021 0.000 0.880 92 D CB 0.030 40.835 40.800 0.008 0.000 0.911 92 D HN 0.619 nan 8.370 nan 0.000 0.528 93 T N -0.056 114.571 114.554 0.122 0.000 2.824 93 T HA 0.336 4.686 4.350 -0.000 0.000 0.282 93 T C -0.708 174.218 174.700 0.377 0.000 0.993 93 T CA -0.654 61.584 62.100 0.229 0.000 0.967 93 T CB 1.929 70.963 68.868 0.277 0.000 0.960 93 T HN -0.105 nan 8.240 nan 0.000 0.441 94 S N 2.804 118.637 115.700 0.222 0.000 2.505 94 S HA 0.164 4.634 4.470 -0.000 0.000 0.276 94 S C 0.417 174.946 174.600 -0.119 0.000 1.274 94 S CA -0.652 57.611 58.200 0.105 0.000 1.053 94 S CB -0.092 63.122 63.200 0.023 0.000 0.919 94 S HN 0.634 nan 8.310 nan 0.000 0.490 95 N N 5.975 124.278 118.700 -0.662 0.000 2.429 95 N HA 0.114 4.854 4.740 -0.000 0.000 0.271 95 N C -1.375 173.745 175.510 -0.650 0.000 1.272 95 N CA -1.796 50.364 53.050 -1.483 0.000 0.921 95 N CB 1.030 38.134 38.487 -2.305 0.000 1.128 95 N HN 0.334 nan 8.380 nan 0.000 0.481 96 P HA -0.109 nan 4.420 nan 0.000 0.222 96 P C 0.019 177.205 177.300 -0.190 0.000 1.147 96 P CA 1.296 64.272 63.100 -0.207 0.000 0.790 96 P CB 0.285 31.920 31.700 -0.108 0.000 0.780 97 K N -0.755 119.494 120.400 -0.253 0.000 2.387 97 K HA 0.131 4.451 4.320 -0.000 0.000 0.198 97 K C 0.270 176.768 176.600 -0.170 0.000 1.022 97 K CA -0.009 56.178 56.287 -0.167 0.000 1.128 97 K CB -0.208 32.217 32.500 -0.124 0.000 0.853 97 K HN 0.030 nan 8.250 nan 0.000 0.523 98 T N 4.907 119.319 114.554 -0.236 0.000 2.822 98 T HA 0.006 4.356 4.350 -0.000 0.000 0.288 98 T C -1.842 172.839 174.700 -0.032 0.000 0.991 98 T CA -0.558 61.449 62.100 -0.155 0.000 1.176 98 T CB 0.261 69.040 68.868 -0.148 0.000 0.951 98 T HN 0.199 nan 8.240 nan 0.000 0.526 99 P HA 0.291 nan 4.420 nan 0.000 0.278 99 P C -0.263 177.139 177.300 0.170 0.000 1.266 99 P CA -0.899 62.243 63.100 0.070 0.000 0.807 99 P CB 0.902 32.634 31.700 0.052 0.000 1.094 100 K N 0.903 121.356 120.400 0.088 0.000 2.484 100 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 100 K C -0.616 176.070 176.600 0.143 0.000 1.013 100 K CA 0.390 56.713 56.287 0.060 0.000 1.029 100 K CB -0.249 32.252 32.500 0.002 0.000 0.902 100 K HN 0.547 nan 8.250 nan 0.000 0.481 101 Y N 0.144 120.431 120.300 -0.021 0.000 2.638 101 Y HA 0.540 5.090 4.550 -0.000 0.000 0.335 101 Y C -1.663 174.222 175.900 -0.025 0.000 1.155 101 Y CA -1.315 56.791 58.100 0.009 0.000 1.046 101 Y CB 1.222 39.804 38.460 0.203 0.000 1.303 101 Y HN 0.392 nan 8.280 nan 0.000 0.460 102 K N 1.716 122.206 120.400 0.149 0.000 2.482 102 K HA 0.552 4.872 4.320 -0.000 0.000 0.257 102 K C -1.931 174.909 176.600 0.401 0.000 0.969 102 K CA -0.745 55.575 56.287 0.054 0.000 0.842 102 K CB 2.745 35.265 32.500 0.033 0.000 1.359 102 K HN 0.643 nan 8.250 nan 0.000 0.441 103 F N 1.745 121.803 119.950 0.181 0.000 2.415 103 F HA 0.463 4.990 4.527 -0.000 0.000 0.348 103 F C 0.146 176.004 175.800 0.096 0.000 1.119 103 F CA -1.206 56.887 58.000 0.155 0.000 1.069 103 F CB 1.823 40.871 39.000 0.079 0.000 1.124 103 F HN 0.168 nan 8.300 nan 0.000 0.472 104 V N 3.103 123.189 119.914 0.286 0.000 2.962 104 V HA 0.633 4.753 4.120 -0.000 0.000 0.313 104 V C -1.164 175.031 176.094 0.168 0.000 1.099 104 V CA -1.075 61.336 62.300 0.185 0.000 0.971 104 V CB 2.096 34.010 31.823 0.150 0.000 1.028 104 V HN 0.841 nan 8.190 nan 0.000 0.430 105 R N 3.455 124.048 120.500 0.154 0.000 2.229 105 R HA 0.642 4.982 4.340 -0.000 0.000 0.328 105 R C -0.755 175.700 176.300 0.258 0.000 1.009 105 R CA -0.515 55.709 56.100 0.207 0.000 0.864 105 R CB 1.162 31.526 30.300 0.107 0.000 1.085 105 R HN 0.845 nan 8.270 nan 0.000 0.453 106 I N 2.428 123.202 120.570 0.339 0.000 2.834 106 I HA 0.180 4.350 4.170 -0.000 0.000 0.305 106 I C -0.186 176.085 176.117 0.257 0.000 1.008 106 I CA 0.062 61.489 61.300 0.213 0.000 1.273 106 I CB 1.501 39.536 38.000 0.058 0.000 1.432 106 I HN 0.619 nan 8.210 nan 0.000 0.557 107 Q N 4.677 124.590 119.800 0.188 0.000 2.351 107 Q HA 0.492 4.832 4.340 -0.000 0.000 0.273 107 Q C -2.416 173.671 176.000 0.146 0.000 1.077 107 Q CA -2.074 53.846 55.803 0.195 0.000 0.843 107 Q CB 0.993 29.832 28.738 0.168 0.000 1.367 107 Q HN 0.284 nan 8.270 nan 0.000 0.449 108 P HA 0.065 nan 4.420 nan 0.000 0.265 108 P C 0.637 177.965 177.300 0.047 0.000 1.193 108 P CA 1.114 64.248 63.100 0.056 0.000 0.765 108 P CB 0.364 32.058 31.700 -0.010 0.000 0.823 109 G N 1.404 110.213 108.800 0.014 0.000 2.258 109 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.233 109 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.233 109 G C 0.100 175.019 174.900 0.031 0.000 1.006 109 G CA -0.357 44.745 45.100 0.003 0.000 0.620 109 G HN 0.580 nan 8.290 nan 0.000 0.511 110 Q N 1.416 121.263 119.800 0.078 0.000 2.394 110 Q HA 0.500 4.840 4.340 -0.000 0.000 0.248 110 Q C 0.601 176.674 176.000 0.122 0.000 0.992 110 Q CA 0.690 56.566 55.803 0.121 0.000 0.888 110 Q CB 0.920 29.755 28.738 0.161 0.000 1.257 110 Q HN 0.555 nan 8.270 nan 0.000 0.462 111 T N -1.054 113.569 114.554 0.116 0.000 2.945 111 T HA 0.770 5.120 4.350 -0.000 0.000 0.286 111 T C -0.519 174.284 174.700 0.173 0.000 1.025 111 T CA -0.744 61.361 62.100 0.010 0.000 1.039 111 T CB 0.717 69.534 68.868 -0.084 0.000 1.068 111 T HN 0.522 nan 8.240 nan 0.000 0.497 112 F N -1.867 118.030 119.950 -0.089 0.000 2.713 112 F HA 0.772 5.299 4.527 -0.000 0.000 0.311 112 F C -0.781 174.875 175.800 -0.239 0.000 1.141 112 F CA -1.294 56.642 58.000 -0.107 0.000 0.939 112 F CB 1.011 39.956 39.000 -0.091 0.000 1.325 112 F HN 0.562 nan 8.300 nan 0.000 0.453 113 S N 0.852 116.411 115.700 -0.234 0.000 2.585 113 S HA 0.738 5.208 4.470 -0.000 0.000 0.277 113 S C -0.800 173.538 174.600 -0.437 0.000 1.241 113 S CA -0.647 57.243 58.200 -0.518 0.000 1.041 113 S CB 1.704 64.419 63.200 -0.809 0.000 0.987 113 S HN 0.529 nan 8.310 nan 0.000 0.512 114 V N 3.459 123.090 119.914 -0.473 0.000 2.495 114 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 114 V C -0.740 175.223 176.094 -0.218 0.000 1.031 114 V CA -0.753 61.365 62.300 -0.304 0.000 0.871 114 V CB 1.615 33.061 31.823 -0.629 0.000 0.988 114 V HN 0.670 nan 8.190 nan 0.000 0.432 115 L N 5.275 126.596 121.223 0.165 0.000 2.262 115 L HA 0.773 5.113 4.340 -0.000 0.000 0.288 115 L C 0.433 177.378 176.870 0.125 0.000 1.035 115 L CA -0.161 54.779 54.840 0.167 0.000 0.820 115 L CB 0.811 43.038 42.059 0.280 0.000 1.204 115 L HN 0.744 nan 8.230 nan 0.000 0.424 116 A N 5.101 127.977 122.820 0.093 0.000 2.309 116 A HA 0.596 4.916 4.320 -0.000 0.000 0.290 116 A C -0.358 177.247 177.584 0.036 0.000 1.206 116 A CA -0.334 51.794 52.037 0.151 0.000 0.850 116 A CB -0.107 19.052 19.000 0.265 0.000 1.118 116 A HN 0.804 nan 8.150 nan 0.000 0.523 117 C N 1.303 120.496 119.300 -0.179 0.000 2.707 117 C HA 0.769 5.229 4.460 -0.000 0.000 0.313 117 C C -1.035 173.523 174.990 -0.719 0.000 1.209 117 C CA -0.649 58.230 59.018 -0.232 0.000 1.635 117 C CB 0.837 28.522 27.740 -0.092 0.000 2.206 117 C HN 0.779 nan 8.230 nan 0.000 0.485 118 Y N 1.437 121.795 120.300 0.096 0.000 2.373 118 Y HA 0.379 4.929 4.550 -0.000 0.000 0.336 118 Y C 0.551 176.487 175.900 0.059 0.000 0.979 118 Y CA -0.559 57.589 58.100 0.081 0.000 1.080 118 Y CB 0.827 39.336 38.460 0.081 0.000 1.190 118 Y HN 0.786 nan 8.280 nan 0.000 0.446 119 N N 2.208 120.981 118.700 0.122 0.000 2.740 119 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 119 N C 1.004 176.544 175.510 0.050 0.000 1.062 119 N CA 1.269 54.368 53.050 0.082 0.000 0.704 119 N CB -1.008 37.539 38.487 0.100 0.000 0.968 119 N HN 1.243 nan 8.380 nan 0.000 0.547 120 G N -1.360 107.453 108.800 0.022 0.000 2.212 120 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 120 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 120 G C 0.005 174.929 174.900 0.041 0.000 1.002 120 G CA 0.833 45.944 45.100 0.017 0.000 0.729 120 G HN 0.556 nan 8.290 nan 0.000 0.517 121 S N 1.054 116.791 115.700 0.061 0.000 2.456 121 S HA 0.575 5.045 4.470 -0.000 0.000 0.316 121 S C -2.236 172.421 174.600 0.095 0.000 1.089 121 S CA -1.045 57.204 58.200 0.082 0.000 1.101 121 S CB 2.067 65.326 63.200 0.097 0.000 0.995 121 S HN 0.119 nan 8.310 nan 0.000 0.468 122 P HA 0.079 nan 4.420 nan 0.000 0.263 122 P C 0.127 177.504 177.300 0.129 0.000 1.195 122 P CA 0.320 63.477 63.100 0.096 0.000 0.762 122 P CB 0.855 32.606 31.700 0.084 0.000 0.799 123 S N 2.210 118.006 115.700 0.160 0.000 2.665 123 S HA 0.454 4.924 4.470 -0.000 0.000 0.240 123 S C 0.588 175.286 174.600 0.163 0.000 1.081 123 S CA 0.726 59.047 58.200 0.201 0.000 0.887 123 S CB -0.003 63.413 63.200 0.360 0.000 0.805 123 S HN 0.566 nan 8.310 nan 0.000 0.486 124 G N -0.035 108.861 108.800 0.160 0.000 2.506 124 G HA2 0.509 4.469 3.960 -0.000 0.000 0.292 124 G HA3 0.509 4.469 3.960 -0.000 0.000 0.292 124 G C -2.146 172.827 174.900 0.121 0.000 1.425 124 G CA 0.015 45.201 45.100 0.143 0.000 0.788 124 G HN 0.667 nan 8.290 nan 0.000 0.490 125 V N 0.662 120.637 119.914 0.102 0.000 2.709 125 V HA 0.917 5.037 4.120 -0.000 0.000 0.308 125 V C -1.406 174.710 176.094 0.037 0.000 1.062 125 V CA -0.751 61.558 62.300 0.015 0.000 0.901 125 V CB 1.400 33.270 31.823 0.079 0.000 1.003 125 V HN 1.454 nan 8.190 nan 0.000 0.425 126 Y N 3.080 123.330 120.300 -0.083 0.000 2.670 126 Y HA 0.696 5.246 4.550 -0.000 0.000 0.334 126 Y C -1.073 174.687 175.900 -0.233 0.000 1.185 126 Y CA -1.079 56.926 58.100 -0.158 0.000 1.053 126 Y CB 1.432 39.779 38.460 -0.188 0.000 1.298 126 Y HN 0.599 nan 8.280 nan 0.000 0.459 127 Q N 2.102 121.867 119.800 -0.058 0.000 2.312 127 Q HA 0.742 5.082 4.340 -0.000 0.000 0.263 127 Q C -0.969 174.870 176.000 -0.268 0.000 0.995 127 Q CA -0.399 55.248 55.803 -0.260 0.000 0.853 127 Q CB 2.010 30.591 28.738 -0.263 0.000 1.300 127 Q HN 1.106 nan 8.270 nan 0.000 0.448 128 C N 0.489 119.476 119.300 -0.521 0.000 3.321 128 C HA 1.054 5.514 4.460 -0.000 0.000 0.363 128 C C -0.726 173.853 174.990 -0.685 0.000 1.705 128 C CA -0.615 58.075 59.018 -0.545 0.000 1.298 128 C CB 0.997 28.441 27.740 -0.493 0.000 2.086 128 C HN 0.936 nan 8.230 nan 0.000 0.438 129 A N 0.125 122.641 122.820 -0.507 0.000 2.435 129 A HA 0.753 5.073 4.320 -0.000 0.000 0.304 129 A C -0.649 176.840 177.584 -0.158 0.000 1.064 129 A CA -0.343 51.514 52.037 -0.300 0.000 0.727 129 A CB 1.208 20.085 19.000 -0.206 0.000 1.284 129 A HN 1.183 nan 8.150 nan 0.000 0.415 130 M N 2.960 122.576 119.600 0.027 0.000 2.364 130 M HA 0.211 4.691 4.480 -0.000 0.000 0.342 130 M C 0.421 176.710 176.300 -0.019 0.000 1.601 130 M CA -0.365 54.962 55.300 0.046 0.000 1.156 130 M CB -0.518 32.110 32.600 0.048 0.000 1.912 130 M HN 0.610 nan 8.290 nan 0.000 0.460 131 R N 5.842 126.326 120.500 -0.028 0.000 2.784 131 R HA 0.122 4.462 4.340 -0.000 0.000 0.266 131 R C -1.648 174.582 176.300 -0.118 0.000 1.044 131 R CA -1.872 54.191 56.100 -0.062 0.000 1.151 131 R CB -0.968 29.310 30.300 -0.037 0.000 1.037 131 R HN 0.445 nan 8.270 nan 0.000 0.478 132 P HA -0.131 nan 4.420 nan 0.000 0.219 132 P C 0.486 177.573 177.300 -0.356 0.000 1.146 132 P CA 1.348 64.333 63.100 -0.190 0.000 0.808 132 P CB 0.145 31.786 31.700 -0.098 0.000 0.779 133 N N -1.940 116.645 118.700 -0.192 0.000 2.314 133 N HA -0.089 4.651 4.740 -0.000 0.000 0.200 133 N C -0.083 175.496 175.510 0.114 0.000 1.135 133 N CA -0.137 52.877 53.050 -0.059 0.000 0.835 133 N CB -1.172 37.363 38.487 0.081 0.000 0.989 133 N HN 0.209 nan 8.380 nan 0.000 0.478 134 H N -1.705 117.490 119.070 0.209 0.000 3.049 134 H HA -0.131 4.425 4.556 -0.000 0.000 0.250 134 H C -0.447 175.124 175.328 0.405 0.000 1.219 134 H CA 1.172 57.401 56.048 0.301 0.000 1.117 134 H CB -2.467 27.487 29.762 0.320 0.000 1.251 134 H HN 0.643 nan 8.280 nan 0.000 0.338 135 T N -1.238 113.512 114.554 0.327 0.000 2.940 135 T HA 0.773 5.123 4.350 -0.000 0.000 0.288 135 T C 0.691 175.485 174.700 0.157 0.000 1.045 135 T CA -0.682 61.576 62.100 0.263 0.000 1.018 135 T CB 3.095 72.055 68.868 0.152 0.000 1.151 135 T HN 0.386 nan 8.240 nan 0.000 0.529 136 I N -1.910 118.758 120.570 0.163 0.000 2.646 136 I HA 0.602 4.772 4.170 -0.000 0.000 0.299 136 I C -0.693 175.496 176.117 0.119 0.000 1.036 136 I CA -1.345 60.004 61.300 0.083 0.000 1.074 136 I CB 2.202 40.225 38.000 0.039 0.000 1.258 136 I HN 0.527 nan 8.210 nan 0.000 0.430 137 K N 4.859 125.269 120.400 0.016 0.000 2.142 137 K HA 0.380 4.700 4.320 -0.000 0.000 0.250 137 K C 0.284 176.889 176.600 0.008 0.000 1.148 137 K CA -0.232 56.056 56.287 0.002 0.000 1.040 137 K CB 0.791 33.238 32.500 -0.088 0.000 1.569 137 K HN 0.886 nan 8.250 nan 0.000 0.361 138 G N 0.061 109.015 108.800 0.257 0.000 2.702 138 G HA2 0.261 4.221 3.960 -0.000 0.000 0.254 138 G HA3 0.261 4.221 3.960 -0.000 0.000 0.254 138 G C -0.905 173.765 174.900 -0.383 0.000 1.380 138 G CA -0.464 44.541 45.100 -0.157 0.000 1.042 138 G HN 0.280 nan 8.290 nan 0.000 0.557 139 S N -0.677 114.436 115.700 -0.978 0.000 2.721 139 S HA 0.672 5.142 4.470 -0.000 0.000 0.264 139 S C -1.537 172.644 174.600 -0.697 0.000 1.161 139 S CA -0.702 57.107 58.200 -0.652 0.000 1.113 139 S CB -0.288 62.463 63.200 -0.749 0.000 1.079 139 S HN 0.348 nan 8.310 nan 0.000 0.479 140 F N 3.267 123.154 119.950 -0.104 0.000 2.601 140 F HA 0.630 5.157 4.527 -0.000 0.000 0.309 140 F C -0.306 175.592 175.800 0.163 0.000 1.089 140 F CA -0.931 57.052 58.000 -0.027 0.000 0.940 140 F CB 1.818 40.600 39.000 -0.364 0.000 1.273 140 F HN 0.291 nan 8.300 nan 0.000 0.450 141 L N 1.139 122.684 121.223 0.536 0.000 2.283 141 L HA 0.412 4.752 4.340 -0.000 0.000 0.259 141 L C -0.196 176.917 176.870 0.407 0.000 1.027 141 L CA -1.068 53.980 54.840 0.348 0.000 0.828 141 L CB 1.999 44.139 42.059 0.135 0.000 1.380 141 L HN 0.602 nan 8.230 nan 0.000 0.425 142 N N 0.226 119.080 118.700 0.257 0.000 2.412 142 N HA 0.015 4.755 4.740 -0.000 0.000 0.258 142 N C 0.636 176.347 175.510 0.335 0.000 1.236 142 N CA 1.284 54.477 53.050 0.239 0.000 0.882 142 N CB 0.614 39.188 38.487 0.144 0.000 1.066 142 N HN 0.829 nan 8.380 nan 0.000 0.465 143 G N 1.493 110.481 108.800 0.313 0.000 2.195 143 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.224 143 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.224 143 G C 0.777 175.804 174.900 0.213 0.000 0.990 143 G CA 0.434 45.734 45.100 0.334 0.000 0.639 143 G HN 0.757 nan 8.290 nan 0.000 0.514 144 S N -0.434 115.374 115.700 0.181 0.000 2.496 144 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 144 S C 1.688 176.247 174.600 -0.067 0.000 0.996 144 S CA 0.825 58.939 58.200 -0.143 0.000 0.927 144 S CB -0.924 62.315 63.200 0.066 0.000 0.774 144 S HN 1.739 nan 8.310 nan 0.000 0.524 145 C N 1.588 120.907 119.300 0.032 0.000 2.611 145 C HA 0.693 5.153 4.460 -0.000 0.000 0.416 145 C C 1.994 176.888 174.990 -0.160 0.000 1.366 145 C CA -0.189 58.790 59.018 -0.065 0.000 1.761 145 C CB -0.767 26.984 27.740 0.017 0.000 2.619 145 C HN 1.102 nan 8.230 nan 0.000 0.606 146 G N 2.387 111.037 108.800 -0.250 0.000 2.241 146 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 146 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 146 G C 0.270 175.095 174.900 -0.125 0.000 0.998 146 G CA 0.238 45.200 45.100 -0.229 0.000 0.621 146 G HN 1.103 nan 8.290 nan 0.000 0.519 147 S N 0.187 115.844 115.700 -0.072 0.000 2.563 147 S HA 0.459 4.929 4.470 -0.000 0.000 0.284 147 S C 0.654 175.326 174.600 0.119 0.000 1.331 147 S CA 0.358 58.579 58.200 0.035 0.000 1.047 147 S CB 1.603 64.863 63.200 0.100 0.000 0.859 147 S HN 1.623 nan 8.310 nan 0.000 0.514 148 V N -0.001 120.036 119.914 0.205 0.000 2.960 148 V HA 1.028 5.148 4.120 -0.000 0.000 0.315 148 V C 0.262 176.656 176.094 0.501 0.000 1.087 148 V CA -0.916 61.556 62.300 0.288 0.000 0.982 148 V CB 1.643 33.602 31.823 0.226 0.000 1.039 148 V HN 0.853 nan 8.190 nan 0.000 0.437 149 G N 1.576 110.697 108.800 0.536 0.000 2.448 149 G HA2 0.858 4.818 3.960 -0.000 0.000 0.324 149 G HA3 0.858 4.818 3.960 -0.000 0.000 0.324 149 G C -1.276 173.873 174.900 0.414 0.000 1.203 149 G CA -0.654 44.742 45.100 0.494 0.000 0.954 149 G HN 1.491 nan 8.290 nan 0.000 0.480 150 F N -0.787 119.306 119.950 0.240 0.000 2.741 150 F HA 0.627 5.154 4.527 -0.000 0.000 0.313 150 F C -1.007 174.843 175.800 0.083 0.000 1.153 150 F CA -1.581 56.449 58.000 0.049 0.000 0.931 150 F CB 1.349 40.248 39.000 -0.169 0.000 1.335 150 F HN 0.336 nan 8.300 nan 0.000 0.460 151 N N 0.821 119.557 118.700 0.059 0.000 2.328 151 N HA 0.626 5.366 4.740 -0.000 0.000 0.299 151 N C -1.598 173.639 175.510 -0.455 0.000 1.179 151 N CA -0.564 52.339 53.050 -0.244 0.000 0.793 151 N CB 2.911 41.382 38.487 -0.026 0.000 1.366 151 N HN 0.596 nan 8.380 nan 0.000 0.493 152 I N 1.018 120.837 120.570 -1.252 0.000 2.382 152 I HA 0.140 4.310 4.170 -0.000 0.000 0.285 152 I C -0.643 175.225 176.117 -0.416 0.000 1.007 152 I CA -0.633 60.278 61.300 -0.648 0.000 1.142 152 I CB 1.454 39.179 38.000 -0.458 0.000 1.289 152 I HN 0.281 nan 8.210 nan 0.000 0.453 153 D N 5.592 125.923 120.400 -0.116 0.000 2.373 153 D HA 0.270 4.910 4.640 -0.000 0.000 0.227 153 D C 0.559 176.978 176.300 0.197 0.000 1.091 153 D CA 0.230 54.283 54.000 0.089 0.000 0.840 153 D CB 0.479 41.333 40.800 0.089 0.000 1.060 153 D HN 0.504 nan 8.370 nan 0.000 0.502 154 Y N 2.137 122.459 120.300 0.036 0.000 2.683 154 Y HA -0.507 4.043 4.550 -0.000 0.000 0.485 154 Y C 1.260 177.164 175.900 0.006 0.000 1.013 154 Y CA 1.928 60.047 58.100 0.032 0.000 3.129 154 Y CB -0.566 37.913 38.460 0.031 0.000 0.959 154 Y HN 0.609 nan 8.280 nan 0.000 0.580 155 D N -2.139 118.339 120.400 0.130 0.000 2.480 155 D HA 0.141 4.781 4.640 -0.000 0.000 0.276 155 D C -0.571 175.737 176.300 0.012 0.000 1.294 155 D CA 0.540 54.565 54.000 0.041 0.000 0.829 155 D CB -0.620 40.208 40.800 0.046 0.000 1.242 155 D HN 0.219 nan 8.370 nan 0.000 0.513 156 C N 2.258 121.566 119.300 0.013 0.000 2.255 156 C HA 0.609 5.069 4.460 -0.000 0.000 0.326 156 C C 0.201 175.147 174.990 -0.073 0.000 1.258 156 C CA -0.272 58.737 59.018 -0.016 0.000 1.676 156 C CB -0.096 27.640 27.740 -0.008 0.000 2.314 156 C HN 0.104 nan 8.230 nan 0.000 0.509 157 V N 7.363 127.205 119.914 -0.120 0.000 2.439 157 V HA 0.206 4.326 4.120 -0.000 0.000 0.271 157 V C 0.671 176.601 176.094 -0.273 0.000 1.040 157 V CA 0.448 62.557 62.300 -0.317 0.000 1.002 157 V CB 1.033 32.472 31.823 -0.639 0.000 1.000 157 V HN 0.964 nan 8.190 nan 0.000 0.477 158 S N 6.172 121.763 115.700 -0.182 0.000 2.415 158 S HA 0.508 4.978 4.470 -0.000 0.000 0.313 158 S C -0.332 174.273 174.600 0.009 0.000 1.067 158 S CA -0.344 57.848 58.200 -0.013 0.000 1.099 158 S CB -0.178 63.050 63.200 0.047 0.000 0.991 158 S HN 0.451 nan 8.310 nan 0.000 0.491 159 F N 1.891 121.993 119.950 0.255 0.000 2.467 159 F HA 0.191 4.718 4.527 -0.000 0.000 0.362 159 F C 1.606 177.468 175.800 0.103 0.000 1.090 159 F CA -0.806 57.309 58.000 0.192 0.000 1.202 159 F CB 0.368 39.454 39.000 0.142 0.000 1.113 159 F HN 0.709 nan 8.300 nan 0.000 0.541 160 C N 1.720 121.133 119.300 0.189 0.000 3.545 160 C HA 0.399 4.859 4.460 -0.000 0.000 0.368 160 C C -0.320 174.716 174.990 0.077 0.000 1.400 160 C CA -0.617 58.447 59.018 0.076 0.000 1.848 160 C CB -0.985 26.732 27.740 -0.039 0.000 2.576 160 C HN 0.705 nan 8.230 nan 0.000 0.683 161 Y N 1.356 121.570 120.300 -0.143 0.000 2.504 161 Y HA 0.707 5.257 4.550 -0.000 0.000 0.344 161 Y C -0.976 174.921 175.900 -0.005 0.000 1.023 161 Y CA -1.181 56.846 58.100 -0.121 0.000 1.020 161 Y CB 1.594 39.752 38.460 -0.503 0.000 1.282 161 Y HN 0.328 nan 8.280 nan 0.000 0.454 162 M N 5.288 124.492 119.600 -0.660 0.000 2.457 162 M HA 0.377 4.857 4.480 -0.000 0.000 0.300 162 M C -2.069 173.777 176.300 -0.756 0.000 1.141 162 M CA -0.800 54.188 55.300 -0.519 0.000 0.901 162 M CB 1.518 33.926 32.600 -0.319 0.000 1.687 162 M HN 0.947 nan 8.290 nan 0.000 0.449 163 H N 2.850 121.600 119.070 -0.533 0.000 2.620 163 H HA 0.368 4.924 4.556 -0.000 0.000 0.313 163 H C -0.301 174.900 175.328 -0.212 0.000 1.075 163 H CA 0.634 56.471 56.048 -0.352 0.000 1.397 163 H CB 0.609 30.120 29.762 -0.417 0.000 1.446 163 H HN 0.728 nan 8.280 nan 0.000 0.493 164 H N 3.624 122.316 119.070 -0.631 0.000 2.501 164 H HA 0.229 4.785 4.556 -0.000 0.000 0.281 164 H C 0.005 175.100 175.328 -0.388 0.000 0.988 164 H CA 0.197 56.067 56.048 -0.297 0.000 1.232 164 H CB 0.946 30.738 29.762 0.050 0.000 1.455 164 H HN 0.427 nan 8.280 nan 0.000 0.501 165 M N 0.780 120.251 119.600 -0.215 0.000 2.531 165 M HA 0.253 4.733 4.480 -0.000 0.000 0.286 165 M C -1.151 175.269 176.300 0.200 0.000 1.232 165 M CA -0.499 54.802 55.300 0.002 0.000 0.877 165 M CB 3.849 36.496 32.600 0.080 0.000 1.726 165 M HN -0.008 nan 8.290 nan 0.000 0.463 166 E N 2.264 122.581 120.200 0.194 0.000 2.158 166 E HA 0.585 4.935 4.350 -0.000 0.000 0.271 166 E C -1.620 174.990 176.600 0.018 0.000 0.911 166 E CA -0.542 55.977 56.400 0.199 0.000 0.767 166 E CB 1.410 31.277 29.700 0.279 0.000 1.120 166 E HN 0.546 nan 8.360 nan 0.000 0.405 167 L N 5.761 126.936 121.223 -0.079 0.000 2.418 167 L HA 0.260 4.600 4.340 -0.000 0.000 0.265 167 L C -1.560 175.269 176.870 -0.068 0.000 1.143 167 L CA -1.656 53.120 54.840 -0.106 0.000 0.809 167 L CB 0.442 42.393 42.059 -0.181 0.000 1.124 167 L HN 0.566 nan 8.230 nan 0.000 0.456 168 P HA -0.175 nan 4.420 nan 0.000 0.219 168 P C 1.147 178.427 177.300 -0.033 0.000 1.144 168 P CA 1.242 64.326 63.100 -0.026 0.000 0.806 168 P CB -0.042 31.650 31.700 -0.013 0.000 0.771 169 T N -5.840 108.685 114.554 -0.049 0.000 3.129 169 T HA 0.298 4.648 4.350 -0.000 0.000 0.251 169 T C 1.419 176.074 174.700 -0.074 0.000 1.117 169 T CA 0.399 62.469 62.100 -0.049 0.000 1.034 169 T CB -0.754 68.089 68.868 -0.041 0.000 0.968 169 T HN 0.227 nan 8.240 nan 0.000 0.526 170 G N 0.791 109.528 108.800 -0.105 0.000 2.132 170 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.228 170 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.228 170 G C 0.022 174.704 174.900 -0.363 0.000 1.000 170 G CA -0.005 45.002 45.100 -0.155 0.000 0.693 170 G HN 1.374 nan 8.290 nan 0.000 0.515 171 V N -3.142 116.555 119.914 -0.361 0.000 3.096 171 V HA 0.953 5.073 4.120 -0.000 0.000 0.319 171 V C 0.050 175.853 176.094 -0.485 0.000 1.103 171 V CA -1.613 60.433 62.300 -0.423 0.000 1.016 171 V CB 1.599 33.335 31.823 -0.145 0.000 1.090 171 V HN 0.331 nan 8.190 nan 0.000 0.449 172 H N 0.513 119.703 119.070 0.201 0.000 2.524 172 H HA 0.871 5.427 4.556 -0.000 0.000 0.353 172 H C 0.031 175.550 175.328 0.318 0.000 1.136 172 H CA 0.196 56.460 56.048 0.360 0.000 1.193 172 H CB 1.852 31.980 29.762 0.610 0.000 1.558 172 H HN 1.164 nan 8.280 nan 0.000 0.515 173 A N 1.967 125.027 122.820 0.399 0.000 2.356 173 A HA 0.875 5.195 4.320 -0.000 0.000 0.323 173 A C 0.063 178.009 177.584 0.604 0.000 1.119 173 A CA 0.011 52.306 52.037 0.429 0.000 0.790 173 A CB 1.270 20.282 19.000 0.020 0.000 1.273 173 A HN 0.869 nan 8.150 nan 0.000 0.452 174 G N -0.811 108.360 108.800 0.617 0.000 2.554 174 G HA2 0.706 4.666 3.960 -0.000 0.000 0.306 174 G HA3 0.706 4.666 3.960 -0.000 0.000 0.306 174 G C -0.584 174.171 174.900 -0.243 0.000 1.320 174 G CA 0.315 45.416 45.100 0.002 0.000 0.800 174 G HN 1.553 nan 8.290 nan 0.000 0.481 175 T N -1.849 112.378 114.554 -0.546 0.000 2.907 175 T HA 0.679 5.029 4.350 -0.000 0.000 0.290 175 T C -0.704 173.840 174.700 -0.260 0.000 1.066 175 T CA -0.219 61.535 62.100 -0.577 0.000 1.012 175 T CB 2.028 70.397 68.868 -0.832 0.000 1.184 175 T HN 0.799 nan 8.240 nan 0.000 0.522 176 D N 0.387 120.556 120.400 -0.385 0.000 2.451 176 D HA 0.192 4.832 4.640 -0.000 0.000 0.259 176 D C 1.059 177.160 176.300 -0.331 0.000 1.201 176 D CA -1.123 52.740 54.000 -0.228 0.000 1.028 176 D CB 0.247 40.878 40.800 -0.283 0.000 1.095 176 D HN 0.289 nan 8.370 nan 0.000 0.539 177 L N -0.179 120.781 121.223 -0.438 0.000 2.650 177 L HA 0.030 4.370 4.340 -0.000 0.000 0.235 177 L C 1.163 177.626 176.870 -0.678 0.000 1.149 177 L CA 0.978 55.313 54.840 -0.841 0.000 0.887 177 L CB -1.081 39.929 42.059 -1.748 0.000 1.021 177 L HN 0.520 nan 8.230 nan 0.000 0.441 178 E N -0.673 119.328 120.200 -0.332 0.000 2.474 178 E HA 0.158 4.508 4.350 -0.000 0.000 0.195 178 E C 1.235 177.745 176.600 -0.151 0.000 1.039 178 E CA 0.514 56.824 56.400 -0.150 0.000 0.881 178 E CB 0.497 30.161 29.700 -0.061 0.000 0.970 178 E HN 0.439 nan 8.360 nan 0.000 0.486 179 G N 2.271 110.933 108.800 -0.230 0.000 2.132 179 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.234 179 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.234 179 G C 0.033 174.771 174.900 -0.270 0.000 0.989 179 G CA -0.212 44.745 45.100 -0.237 0.000 0.676 179 G HN -0.053 nan 8.290 nan 0.000 0.522 180 K N 0.308 120.539 120.400 -0.281 0.000 2.262 180 K HA 0.489 4.809 4.320 -0.000 0.000 0.282 180 K C 0.439 176.845 176.600 -0.323 0.000 1.066 180 K CA -0.930 55.217 56.287 -0.234 0.000 0.901 180 K CB 0.398 32.775 32.500 -0.204 0.000 1.089 180 K HN 0.141 nan 8.250 nan 0.000 0.476 181 F N 2.078 121.885 119.950 -0.238 0.000 2.629 181 F HA -0.111 4.416 4.527 -0.000 0.000 0.369 181 F C 0.785 176.476 175.800 -0.182 0.000 1.125 181 F CA 0.546 58.446 58.000 -0.166 0.000 1.330 181 F CB 0.204 39.170 39.000 -0.058 0.000 1.071 181 F HN 0.382 nan 8.300 nan 0.000 0.595 182 Y N 1.982 122.442 120.300 0.268 0.000 2.335 182 Y HA 0.442 4.992 4.550 -0.000 0.000 0.331 182 Y C 0.855 176.913 175.900 0.262 0.000 1.094 182 Y CA 0.273 58.526 58.100 0.255 0.000 1.253 182 Y CB 0.427 39.100 38.460 0.355 0.000 1.203 182 Y HN 0.869 nan 8.280 nan 0.000 0.508 183 G N 3.812 112.611 108.800 -0.003 0.000 2.796 183 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.571 183 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.571 183 G C -2.598 172.003 174.900 -0.498 0.000 1.370 183 G CA -0.836 44.034 45.100 -0.383 0.000 0.856 183 G HN 0.550 nan 8.290 nan 0.000 0.538 184 P HA 0.403 nan 4.420 nan 0.000 0.236 184 P C -0.315 176.619 177.300 -0.610 0.000 1.709 184 P CA -0.195 62.569 63.100 -0.561 0.000 0.942 184 P CB -0.398 31.037 31.700 -0.441 0.000 1.615 185 F N 0.749 120.578 119.950 -0.201 0.000 2.378 185 F HA 0.410 4.937 4.527 -0.000 0.000 0.325 185 F C 1.170 176.491 175.800 -0.798 0.000 1.097 185 F CA -1.185 56.559 58.000 -0.428 0.000 1.079 185 F CB 0.861 39.632 39.000 -0.382 0.000 1.240 185 F HN -0.178 nan 8.300 nan 0.000 0.519 186 V N -1.689 117.912 119.914 -0.522 0.000 3.040 186 V HA 0.527 4.647 4.120 -0.000 0.000 0.312 186 V C -0.996 174.868 176.094 -0.384 0.000 1.115 186 V CA -1.177 60.813 62.300 -0.516 0.000 0.998 186 V CB 1.959 33.683 31.823 -0.164 0.000 1.042 186 V HN 0.690 nan 8.190 nan 0.000 0.433 187 D N 2.088 122.448 120.400 -0.067 0.000 2.713 187 D HA 0.260 4.900 4.640 -0.000 0.000 0.229 187 D C 0.219 176.643 176.300 0.206 0.000 1.136 187 D CA -0.222 53.895 54.000 0.195 0.000 1.010 187 D CB -0.370 40.709 40.800 0.465 0.000 1.084 187 D HN 0.815 nan 8.370 nan 0.000 0.495 188 R N -0.445 120.102 120.500 0.079 0.000 2.651 188 R HA 0.387 4.727 4.340 -0.000 0.000 0.278 188 R C -0.671 175.638 176.300 0.015 0.000 1.010 188 R CA -0.851 55.289 56.100 0.067 0.000 0.896 188 R CB 1.154 31.492 30.300 0.062 0.000 1.211 188 R HN -0.059 nan 8.270 nan 0.000 0.456 189 Q N 1.651 121.455 119.800 0.006 0.000 2.534 189 Q HA 0.170 4.510 4.340 -0.000 0.000 0.223 189 Q C -0.815 175.184 176.000 -0.002 0.000 1.239 189 Q CA 0.287 56.087 55.803 -0.006 0.000 0.936 189 Q CB 1.193 29.925 28.738 -0.010 0.000 1.457 189 Q HN 0.458 nan 8.270 nan 0.000 0.547 190 T N 0.416 114.970 114.554 -0.001 0.000 2.956 190 T HA 0.452 4.802 4.350 -0.000 0.000 0.312 190 T C -0.887 173.817 174.700 0.007 0.000 1.151 190 T CA -0.529 61.573 62.100 0.003 0.000 1.024 190 T CB 1.352 70.223 68.868 0.004 0.000 1.140 190 T HN 0.559 nan 8.240 nan 0.000 0.473 191 A N 3.845 126.670 122.820 0.009 0.000 2.584 191 A HA 0.477 4.797 4.320 -0.000 0.000 0.239 191 A C 0.144 177.745 177.584 0.028 0.000 1.043 191 A CA 0.549 52.595 52.037 0.015 0.000 0.756 191 A CB -0.300 18.708 19.000 0.013 0.000 0.963 191 A HN 0.818 nan 8.150 nan 0.000 0.511 192 Q N 0.210 120.035 119.800 0.042 0.000 2.646 192 Q HA 0.625 4.965 4.340 -0.000 0.000 0.260 192 Q C -1.164 174.899 176.000 0.105 0.000 0.975 192 Q CA -0.412 55.444 55.803 0.088 0.000 0.936 192 Q CB 0.881 29.691 28.738 0.120 0.000 1.591 192 Q HN 1.826 nan 8.270 nan 0.000 0.412 193 A N 1.144 124.063 122.820 0.165 0.000 2.587 193 A HA 0.924 5.244 4.320 -0.000 0.000 0.293 193 A C -0.920 176.829 177.584 0.275 0.000 1.087 193 A CA -0.379 51.747 52.037 0.149 0.000 0.692 193 A CB 1.689 20.733 19.000 0.073 0.000 1.291 193 A HN 1.219 nan 8.150 nan 0.000 0.407 194 A N 0.794 123.740 122.820 0.209 0.000 2.545 194 A HA 0.494 4.814 4.320 -0.000 0.000 0.253 194 A C 1.040 178.733 177.584 0.182 0.000 1.074 194 A CA 0.618 52.817 52.037 0.270 0.000 0.760 194 A CB -0.656 18.421 19.000 0.129 0.000 1.005 194 A HN 2.084 nan 8.150 nan 0.000 0.506 195 G N 1.905 110.817 108.800 0.187 0.000 2.744 195 G HA2 0.376 4.336 3.960 -0.000 0.000 0.257 195 G HA3 0.376 4.336 3.960 -0.000 0.000 0.257 195 G C 0.375 175.323 174.900 0.080 0.000 1.244 195 G CA 0.084 45.249 45.100 0.108 0.000 0.916 195 G HN 0.812 nan 8.290 nan 0.000 0.564 196 T N 0.475 115.058 114.554 0.049 0.000 2.940 196 T HA 0.187 4.537 4.350 -0.000 0.000 0.309 196 T C 0.109 174.821 174.700 0.021 0.000 1.056 196 T CA 0.369 62.486 62.100 0.028 0.000 1.137 196 T CB 0.974 69.853 68.868 0.018 0.000 0.976 196 T HN 0.509 nan 8.240 nan 0.000 0.547 197 D N 0.960 121.361 120.400 0.002 0.000 2.277 197 D HA 0.506 5.146 4.640 -0.000 0.000 0.250 197 D C 0.132 176.409 176.300 -0.039 0.000 1.032 197 D CA -0.352 53.636 54.000 -0.021 0.000 0.947 197 D CB 1.128 41.908 40.800 -0.033 0.000 1.159 197 D HN 0.581 nan 8.370 nan 0.000 0.460 198 T N -1.274 113.244 114.554 -0.060 0.000 2.940 198 T HA 0.572 4.921 4.350 -0.000 0.000 0.288 198 T C -0.021 174.579 174.700 -0.168 0.000 1.045 198 T CA -0.859 61.190 62.100 -0.085 0.000 1.018 198 T CB 1.158 69.999 68.868 -0.045 0.000 1.151 198 T HN 0.201 nan 8.240 nan 0.000 0.529 199 T N 1.499 115.871 114.554 -0.303 0.000 2.856 199 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 199 T C 0.431 174.922 174.700 -0.347 0.000 0.980 199 T CA -0.437 61.366 62.100 -0.495 0.000 1.091 199 T CB -0.003 68.167 68.868 -1.164 0.000 0.936 199 T HN 0.478 nan 8.240 nan 0.000 0.503 200 I N 3.885 124.313 120.570 -0.236 0.000 2.270 200 I HA 0.055 4.225 4.170 -0.000 0.000 0.300 200 I C 1.802 177.888 176.117 -0.052 0.000 1.186 200 I CA -0.188 61.044 61.300 -0.113 0.000 1.431 200 I CB -0.459 37.486 38.000 -0.092 0.000 1.485 200 I HN 0.728 nan 8.210 nan 0.000 0.650 201 T N 3.554 118.134 114.554 0.044 0.000 2.714 201 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 201 T C 1.840 176.632 174.700 0.153 0.000 1.036 201 T CA 1.648 63.893 62.100 0.243 0.000 1.148 201 T CB -0.166 68.932 68.868 0.383 0.000 0.856 201 T HN 0.527 nan 8.240 nan 0.000 0.462 202 L N 1.869 123.109 121.223 0.028 0.000 2.017 202 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 202 L C 1.920 178.828 176.870 0.063 0.000 1.073 202 L CA 1.792 56.617 54.840 -0.026 0.000 0.745 202 L CB -0.853 41.046 42.059 -0.266 0.000 0.894 202 L HN 0.090 nan 8.230 nan 0.000 0.432 203 N N -0.514 118.220 118.700 0.056 0.000 2.120 203 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 203 N C 1.916 177.535 175.510 0.182 0.000 1.024 203 N CA 1.684 54.805 53.050 0.118 0.000 0.852 203 N CB -0.713 37.807 38.487 0.055 0.000 1.003 203 N HN 0.278 nan 8.380 nan 0.000 0.424 204 V N 1.438 121.434 119.914 0.137 0.000 2.332 204 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 204 V C 2.257 178.491 176.094 0.234 0.000 1.055 204 V CA 1.321 63.734 62.300 0.189 0.000 1.038 204 V CB -0.537 31.408 31.823 0.203 0.000 0.651 204 V HN 0.235 nan 8.190 nan 0.000 0.450 205 L N -0.227 121.099 121.223 0.172 0.000 2.109 205 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 205 L C 2.738 179.727 176.870 0.199 0.000 1.086 205 L CA 1.288 56.192 54.840 0.107 0.000 0.760 205 L CB -0.837 41.279 42.059 0.096 0.000 0.910 205 L HN 0.320 nan 8.230 nan 0.000 0.437 206 A N -0.169 122.809 122.820 0.263 0.000 1.884 206 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 206 A C 2.035 179.764 177.584 0.242 0.000 1.197 206 A CA 2.154 54.361 52.037 0.285 0.000 0.637 206 A CB -1.289 17.865 19.000 0.257 0.000 0.827 206 A HN 0.631 nan 8.150 nan 0.000 0.450 207 W N 0.502 121.825 121.300 0.038 0.000 2.358 207 W HA -0.145 4.515 4.660 -0.000 0.000 0.303 207 W C 1.891 178.304 176.519 -0.176 0.000 1.208 207 W CA 1.873 59.174 57.345 -0.074 0.000 1.274 207 W CB -0.378 29.106 29.460 0.040 0.000 1.138 207 W HN 0.270 nan 8.180 nan 0.000 0.515 208 L N -0.683 120.483 121.223 -0.094 0.000 2.042 208 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 208 L C 2.359 179.085 176.870 -0.239 0.000 1.076 208 L CA 1.513 56.125 54.840 -0.380 0.000 0.749 208 L CB -1.134 40.700 42.059 -0.375 0.000 0.893 208 L HN 0.023 nan 8.230 nan 0.000 0.432 209 Y N -0.221 120.011 120.300 -0.113 0.000 2.181 209 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 209 Y C 2.626 178.414 175.900 -0.187 0.000 1.146 209 Y CA 1.086 59.127 58.100 -0.098 0.000 1.164 209 Y CB -0.773 37.658 38.460 -0.049 0.000 0.982 209 Y HN 0.133 nan 8.280 nan 0.000 0.515 210 A N 0.173 122.905 122.820 -0.147 0.000 1.892 210 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 210 A C 2.499 179.793 177.584 -0.483 0.000 1.188 210 A CA 2.306 54.099 52.037 -0.407 0.000 0.631 210 A CB -1.401 17.124 19.000 -0.791 0.000 0.822 210 A HN 0.428 nan 8.150 nan 0.000 0.447 211 A N -0.184 122.291 122.820 -0.575 0.000 1.859 211 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 211 A C 2.284 179.730 177.584 -0.230 0.000 1.198 211 A CA 2.613 54.368 52.037 -0.470 0.000 0.629 211 A CB -1.417 17.294 19.000 -0.481 0.000 0.830 211 A HN 1.334 nan 8.150 nan 0.000 0.446 212 V N -2.177 117.657 119.914 -0.133 0.000 3.444 212 V HA -0.007 4.113 4.120 -0.000 0.000 0.271 212 V C 1.823 177.850 176.094 -0.111 0.000 1.188 212 V CA 1.484 63.691 62.300 -0.155 0.000 1.168 212 V CB -0.805 30.911 31.823 -0.179 0.000 0.810 212 V HN 0.480 nan 8.190 nan 0.000 0.500 213 I N 0.567 121.071 120.570 -0.109 0.000 2.260 213 I HA -0.040 4.130 4.170 -0.000 0.000 0.237 213 I C 2.254 178.312 176.117 -0.099 0.000 1.075 213 I CA 1.118 62.366 61.300 -0.087 0.000 1.376 213 I CB -0.467 37.486 38.000 -0.079 0.000 1.107 213 I HN 0.250 nan 8.210 nan 0.000 0.420 214 N N 0.940 119.556 118.700 -0.140 0.000 2.635 214 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 214 N C 1.253 176.711 175.510 -0.086 0.000 1.155 214 N CA 1.275 54.258 53.050 -0.111 0.000 0.927 214 N CB 0.408 38.807 38.487 -0.146 0.000 0.976 214 N HN 0.663 nan 8.380 nan 0.000 0.448 215 G N 0.093 108.836 108.800 -0.095 0.000 2.391 215 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.204 215 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.204 215 G C -0.203 174.649 174.900 -0.081 0.000 1.012 215 G CA -0.425 44.630 45.100 -0.074 0.000 0.651 215 G HN 0.258 nan 8.290 nan 0.000 0.494 216 D N 0.701 121.051 120.400 -0.083 0.000 2.401 216 D HA 0.506 5.146 4.640 -0.000 0.000 0.254 216 D C 1.190 177.319 176.300 -0.286 0.000 1.192 216 D CA 0.366 54.335 54.000 -0.052 0.000 0.885 216 D CB 1.106 41.923 40.800 0.029 0.000 1.147 216 D HN 0.479 nan 8.370 nan 0.000 0.478 217 R N 3.021 123.262 120.500 -0.431 0.000 2.532 217 R HA 0.029 4.369 4.340 -0.000 0.000 0.312 217 R C 1.700 177.567 176.300 -0.722 0.000 0.923 217 R CA -0.319 55.365 56.100 -0.693 0.000 1.115 217 R CB 0.115 30.221 30.300 -0.323 0.000 1.703 217 R HN 0.571 nan 8.270 nan 0.000 0.498 218 W N 1.179 122.203 121.300 -0.460 0.000 2.468 218 W HA -0.124 4.536 4.660 0.000 0.000 0.262 218 W C 0.363 176.765 176.519 -0.196 0.000 1.241 218 W CA 0.431 57.628 57.345 -0.247 0.000 1.232 218 W CB -0.621 28.794 29.460 -0.076 0.000 1.124 218 W HN 0.070 nan 8.180 nan 0.000 0.597 219 F N 0.519 120.111 119.950 -0.597 0.000 2.754 219 F HA 0.382 4.909 4.527 -0.000 0.000 0.297 219 F C 1.057 176.695 175.800 -0.269 0.000 1.122 219 F CA -0.927 56.729 58.000 -0.573 0.000 1.400 219 F CB -1.382 37.011 39.000 -1.013 0.000 1.117 219 F HN -0.372 nan 8.300 nan 0.000 0.587 220 L N 3.629 124.572 121.223 -0.467 0.000 2.490 220 L HA 0.107 4.447 4.340 -0.000 0.000 0.274 220 L C -0.388 176.414 176.870 -0.113 0.000 1.201 220 L CA -0.086 54.607 54.840 -0.244 0.000 0.869 220 L CB -0.086 41.772 42.059 -0.335 0.000 1.123 220 L HN 0.367 nan 8.230 nan 0.000 0.484 221 N N 2.248 120.913 118.700 -0.058 0.000 2.405 221 N HA 0.332 5.072 4.740 -0.000 0.000 0.285 221 N C 0.044 175.481 175.510 -0.122 0.000 1.262 221 N CA -1.097 51.910 53.050 -0.072 0.000 0.773 221 N CB 0.955 39.465 38.487 0.039 0.000 1.490 221 N HN 0.260 nan 8.380 nan 0.000 0.486 222 R N -0.318 120.025 120.500 -0.262 0.000 2.328 222 R HA 0.142 4.482 4.340 -0.000 0.000 0.207 222 R C -0.067 176.119 176.300 -0.190 0.000 1.056 222 R CA 0.240 56.192 56.100 -0.247 0.000 1.016 222 R CB -0.681 29.435 30.300 -0.306 0.000 0.872 222 R HN 0.482 nan 8.270 nan 0.000 0.471 223 F N 0.911 120.853 119.950 -0.014 0.000 2.444 223 F HA 0.029 4.556 4.527 -0.000 0.000 0.331 223 F C 1.579 177.369 175.800 -0.016 0.000 1.167 223 F CA -0.018 57.977 58.000 -0.010 0.000 1.262 223 F CB 0.761 39.759 39.000 -0.004 0.000 1.196 223 F HN -0.067 nan 8.300 nan 0.000 0.583 224 T N -1.776 112.923 114.554 0.240 0.000 2.864 224 T HA 0.721 5.071 4.350 -0.000 0.000 0.289 224 T C -0.594 174.151 174.700 0.075 0.000 1.082 224 T CA -0.716 61.451 62.100 0.110 0.000 1.009 224 T CB 2.005 70.924 68.868 0.084 0.000 1.234 224 T HN 0.703 nan 8.240 nan 0.000 0.526 225 T N -0.956 113.624 114.554 0.042 0.000 2.693 225 T HA 0.582 4.932 4.350 -0.000 0.000 0.304 225 T C -1.506 173.222 174.700 0.047 0.000 1.471 225 T CA -0.447 61.678 62.100 0.042 0.000 0.993 225 T CB 1.553 70.445 68.868 0.039 0.000 1.554 225 T HN 0.866 nan 8.240 nan 0.000 0.496 226 T N 2.419 117.013 114.554 0.067 0.000 2.829 226 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 226 T C 1.666 176.439 174.700 0.123 0.000 0.999 226 T CA -0.591 61.554 62.100 0.075 0.000 0.983 226 T CB 1.226 70.131 68.868 0.061 0.000 0.968 226 T HN 0.548 nan 8.240 nan 0.000 0.446 227 L N 2.969 124.263 121.223 0.120 0.000 2.026 227 L HA -0.329 4.011 4.340 -0.000 0.000 0.231 227 L C 2.817 179.796 176.870 0.182 0.000 1.095 227 L CA 1.842 56.789 54.840 0.177 0.000 0.810 227 L CB -0.396 41.740 42.059 0.127 0.000 0.909 227 L HN 0.781 nan 8.230 nan 0.000 0.444 228 N N -0.408 118.357 118.700 0.109 0.000 2.060 228 N HA -0.248 4.492 4.740 -0.000 0.000 0.195 228 N C 1.338 176.889 175.510 0.069 0.000 1.028 228 N CA 2.299 55.393 53.050 0.074 0.000 0.861 228 N CB -0.089 38.429 38.487 0.051 0.000 1.029 228 N HN 0.398 nan 8.380 nan 0.000 0.428 229 D N 0.046 120.500 120.400 0.089 0.000 2.091 229 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 229 D C 1.663 178.023 176.300 0.100 0.000 0.980 229 D CA 0.502 54.546 54.000 0.074 0.000 0.831 229 D CB -0.838 40.004 40.800 0.070 0.000 0.987 229 D HN 0.273 nan 8.370 nan 0.000 0.460 230 F N 2.129 122.083 119.950 0.007 0.000 2.120 230 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 230 F C 1.830 177.642 175.800 0.021 0.000 1.095 230 F CA 1.304 59.306 58.000 0.005 0.000 1.249 230 F CB -0.352 38.654 39.000 0.011 0.000 0.995 230 F HN -0.155 nan 8.300 nan 0.000 0.480 231 N N 0.693 119.321 118.700 -0.120 0.000 2.142 231 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 231 N C 2.064 177.456 175.510 -0.196 0.000 1.023 231 N CA 1.488 54.400 53.050 -0.230 0.000 0.852 231 N CB -0.602 37.875 38.487 -0.016 0.000 0.998 231 N HN 0.359 nan 8.380 nan 0.000 0.424 232 L N 0.123 121.287 121.223 -0.100 0.000 2.089 232 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 232 L C 2.151 178.967 176.870 -0.090 0.000 1.079 232 L CA 0.928 55.726 54.840 -0.070 0.000 0.758 232 L CB -0.498 41.541 42.059 -0.032 0.000 0.891 232 L HN 0.014 nan 8.230 nan 0.000 0.433 233 V N -0.343 119.496 119.914 -0.125 0.000 2.283 233 V HA -0.224 3.896 4.120 -0.000 0.000 0.243 233 V C 2.750 178.792 176.094 -0.087 0.000 1.039 233 V CA 1.618 63.877 62.300 -0.069 0.000 1.016 233 V CB -0.850 30.944 31.823 -0.049 0.000 0.650 233 V HN 0.466 nan 8.190 nan 0.000 0.449 234 A N -0.145 122.442 122.820 -0.388 0.000 1.884 234 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 234 A C 2.243 179.807 177.584 -0.033 0.000 1.197 234 A CA 2.715 54.549 52.037 -0.338 0.000 0.637 234 A CB -0.625 18.030 19.000 -0.576 0.000 0.827 234 A HN 0.513 nan 8.150 nan 0.000 0.450 235 M N -1.653 117.907 119.600 -0.068 0.000 2.213 235 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 235 M C 1.829 178.109 176.300 -0.033 0.000 1.062 235 M CA 1.531 56.819 55.300 -0.019 0.000 1.105 235 M CB -0.218 32.362 32.600 -0.034 0.000 1.385 235 M HN 0.147 nan 8.290 nan 0.000 0.417 236 K N -0.600 119.750 120.400 -0.083 0.000 2.439 236 K HA -0.065 4.255 4.320 -0.000 0.000 0.197 236 K C 0.476 176.855 176.600 -0.368 0.000 1.041 236 K CA 0.991 57.150 56.287 -0.214 0.000 0.970 236 K CB -0.110 32.225 32.500 -0.274 0.000 0.773 236 K HN 0.379 nan 8.250 nan 0.000 0.479 237 Y N -0.526 119.772 120.300 -0.002 0.000 2.636 237 Y HA 0.174 4.723 4.550 -0.000 0.000 0.260 237 Y C 0.080 176.103 175.900 0.205 0.000 1.177 237 Y CA -0.714 57.427 58.100 0.068 0.000 1.209 237 Y CB 0.108 38.556 38.460 -0.020 0.000 1.166 237 Y HN 0.037 nan 8.280 nan 0.000 0.531 238 N N 0.010 118.825 118.700 0.191 0.000 2.754 238 N HA -0.269 4.471 4.740 -0.000 0.000 0.248 238 N C -1.479 174.137 175.510 0.177 0.000 1.093 238 N CA 0.434 53.566 53.050 0.137 0.000 0.699 238 N CB -1.524 37.011 38.487 0.081 0.000 1.016 238 N HN 0.289 nan 8.380 nan 0.000 0.552 239 Y N 0.609 120.922 120.300 0.022 0.000 2.361 239 Y HA 0.363 4.913 4.550 -0.000 0.000 0.332 239 Y C 0.952 176.856 175.900 0.006 0.000 1.101 239 Y CA -0.879 57.231 58.100 0.016 0.000 1.137 239 Y CB 0.989 39.456 38.460 0.013 0.000 1.207 239 Y HN 0.048 nan 8.280 nan 0.000 0.463 240 E N 5.616 125.882 120.200 0.109 0.000 2.480 240 E HA 0.005 4.355 4.350 -0.000 0.000 0.258 240 E C -2.238 174.457 176.600 0.159 0.000 0.984 240 E CA -1.448 55.019 56.400 0.112 0.000 0.930 240 E CB 0.266 30.024 29.700 0.097 0.000 0.936 240 E HN 0.243 nan 8.360 nan 0.000 0.466 241 P HA -0.030 nan 4.420 nan 0.000 0.271 241 P C -0.547 176.881 177.300 0.213 0.000 1.216 241 P CA -0.270 62.894 63.100 0.106 0.000 0.776 241 P CB 0.536 32.272 31.700 0.060 0.000 0.881 242 L N 3.580 124.971 121.223 0.280 0.000 2.397 242 L HA 0.333 4.673 4.340 -0.000 0.000 0.271 242 L C 0.897 177.895 176.870 0.212 0.000 1.148 242 L CA 0.610 55.684 54.840 0.388 0.000 0.825 242 L CB 0.514 42.845 42.059 0.453 0.000 1.117 242 L HN 0.548 nan 8.230 nan 0.000 0.456 243 T N 0.601 115.195 114.554 0.066 0.000 2.937 243 T HA 0.303 4.652 4.350 -0.000 0.000 0.283 243 T C 0.601 175.292 174.700 -0.015 0.000 1.012 243 T CA -0.375 61.666 62.100 -0.099 0.000 0.997 243 T CB 1.237 69.883 68.868 -0.371 0.000 1.136 243 T HN 0.544 nan 8.240 nan 0.000 0.551 244 Q N 0.298 120.089 119.800 -0.015 0.000 2.050 244 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 244 Q C 1.623 177.640 176.000 0.030 0.000 0.980 244 Q CA 2.168 57.984 55.803 0.023 0.000 0.840 244 Q CB -0.814 27.934 28.738 0.018 0.000 0.898 244 Q HN 0.777 nan 8.270 nan 0.000 0.424 245 D N -0.749 119.640 120.400 -0.018 0.000 2.221 245 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 245 D C 1.608 177.992 176.300 0.140 0.000 0.982 245 D CA 1.112 55.129 54.000 0.029 0.000 0.857 245 D CB -0.281 40.520 40.800 0.002 0.000 0.934 245 D HN 0.419 nan 8.370 nan 0.000 0.475 246 H N 0.148 119.261 119.070 0.071 0.000 2.353 246 H HA -0.015 4.541 4.556 -0.000 0.000 0.300 246 H C 2.336 177.712 175.328 0.080 0.000 1.090 246 H CA 0.433 56.531 56.048 0.085 0.000 1.327 246 H CB -0.527 29.298 29.762 0.105 0.000 1.383 246 H HN 0.035 nan 8.280 nan 0.000 0.508 247 V N 0.896 120.935 119.914 0.209 0.000 2.626 247 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 247 V C 1.809 177.957 176.094 0.090 0.000 1.067 247 V CA 1.632 64.012 62.300 0.133 0.000 1.081 247 V CB -0.204 31.681 31.823 0.103 0.000 0.686 247 V HN 0.317 nan 8.190 nan 0.000 0.468 248 D N 0.069 120.520 120.400 0.085 0.000 2.162 248 D HA 0.001 4.641 4.640 -0.000 0.000 0.203 248 D C 2.031 178.359 176.300 0.046 0.000 0.967 248 D CA 0.966 54.998 54.000 0.053 0.000 0.840 248 D CB -0.045 40.783 40.800 0.047 0.000 0.972 248 D HN 0.372 nan 8.370 nan 0.000 0.482 249 I N 0.379 120.993 120.570 0.073 0.000 2.493 249 I HA -0.167 4.003 4.170 -0.000 0.000 0.254 249 I C 1.653 177.792 176.117 0.036 0.000 1.160 249 I CA 0.586 61.923 61.300 0.062 0.000 1.445 249 I CB -0.013 38.046 38.000 0.098 0.000 1.086 249 I HN -0.048 nan 8.210 nan 0.000 0.433 250 L N 0.581 121.825 121.223 0.035 0.000 2.627 250 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 250 L C 2.224 179.018 176.870 -0.126 0.000 1.150 250 L CA -0.032 54.793 54.840 -0.025 0.000 0.917 250 L CB -0.417 41.680 42.059 0.063 0.000 1.104 250 L HN 0.213 nan 8.230 nan 0.000 0.445 251 G N 0.964 109.723 108.800 -0.068 0.000 2.404 251 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 251 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 251 G C -0.698 174.140 174.900 -0.103 0.000 1.189 251 G CA 0.398 45.455 45.100 -0.071 0.000 0.789 251 G HN 0.257 nan 8.290 nan 0.000 0.533 252 P HA -0.182 nan 4.420 nan 0.000 0.216 252 P C 2.052 179.265 177.300 -0.144 0.000 1.167 252 P CA 1.171 64.221 63.100 -0.084 0.000 0.933 252 P CB -0.225 31.446 31.700 -0.049 0.000 0.793 253 L N -1.634 119.447 121.223 -0.236 0.000 2.083 253 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 253 L C 2.631 179.163 176.870 -0.564 0.000 1.083 253 L CA 1.580 56.183 54.840 -0.395 0.000 0.752 253 L CB -1.070 40.651 42.059 -0.564 0.000 0.899 253 L HN 0.042 nan 8.230 nan 0.000 0.433 254 S N -0.575 114.769 115.700 -0.593 0.000 2.382 254 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 254 S C 2.090 176.607 174.600 -0.138 0.000 1.027 254 S CA 1.220 59.216 58.200 -0.340 0.000 0.991 254 S CB -0.054 63.047 63.200 -0.166 0.000 0.823 254 S HN 0.460 nan 8.310 nan 0.000 0.469 255 A N 0.774 123.521 122.820 -0.122 0.000 1.872 255 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 255 A C 2.109 179.659 177.584 -0.056 0.000 1.187 255 A CA 1.627 53.625 52.037 -0.064 0.000 0.614 255 A CB -0.910 18.059 19.000 -0.051 0.000 0.826 255 A HN 0.660 nan 8.150 nan 0.000 0.442 256 Q N -0.308 119.448 119.800 -0.073 0.000 2.030 256 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 256 Q C 2.112 178.090 176.000 -0.037 0.000 0.986 256 Q CA 2.671 58.443 55.803 -0.051 0.000 0.843 256 Q CB -0.332 28.373 28.738 -0.054 0.000 0.904 256 Q HN 0.720 nan 8.270 nan 0.000 0.420 257 T N -3.570 110.962 114.554 -0.037 0.000 3.088 257 T HA 0.159 4.509 4.350 -0.000 0.000 0.259 257 T C 1.194 175.909 174.700 0.025 0.000 1.122 257 T CA 0.866 62.977 62.100 0.019 0.000 1.095 257 T CB 0.021 68.960 68.868 0.117 0.000 0.930 257 T HN 0.616 nan 8.240 nan 0.000 0.508 258 G N 1.122 109.930 108.800 0.013 0.000 2.176 258 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.252 258 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.252 258 G C -0.109 174.813 174.900 0.036 0.000 1.024 258 G CA 0.250 45.358 45.100 0.013 0.000 0.755 258 G HN 0.669 nan 8.290 nan 0.000 0.507 259 I N 1.057 121.684 120.570 0.096 0.000 2.411 259 I HA 0.598 4.768 4.170 -0.000 0.000 0.284 259 I C 0.836 177.052 176.117 0.166 0.000 1.012 259 I CA -0.565 60.808 61.300 0.122 0.000 1.119 259 I CB 1.704 39.797 38.000 0.156 0.000 1.261 259 I HN 0.327 nan 8.210 nan 0.000 0.448 260 A N 5.473 128.345 122.820 0.087 0.000 2.567 260 A HA 0.133 4.452 4.320 -0.000 0.000 0.240 260 A C 1.508 179.163 177.584 0.117 0.000 1.053 260 A CA -0.090 51.995 52.037 0.080 0.000 0.755 260 A CB 0.216 19.240 19.000 0.040 0.000 0.978 260 A HN 0.681 nan 8.150 nan 0.000 0.507 261 V N 3.626 123.624 119.914 0.140 0.000 2.250 261 V HA -0.338 3.782 4.120 -0.000 0.000 0.253 261 V C 2.400 178.505 176.094 0.019 0.000 1.065 261 V CA 2.528 64.916 62.300 0.148 0.000 1.039 261 V CB -1.096 30.795 31.823 0.113 0.000 0.647 261 V HN 0.849 nan 8.190 nan 0.000 0.446 262 L N -0.498 120.723 121.223 -0.003 0.000 2.093 262 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 262 L C 2.422 179.251 176.870 -0.068 0.000 1.085 262 L CA 1.472 56.279 54.840 -0.054 0.000 0.755 262 L CB -0.783 41.270 42.059 -0.010 0.000 0.904 262 L HN 0.359 nan 8.230 nan 0.000 0.435 263 D N -0.056 120.330 120.400 -0.024 0.000 2.106 263 D HA -0.263 4.377 4.640 -0.000 0.000 0.191 263 D C 2.040 178.296 176.300 -0.075 0.000 0.997 263 D CA 1.449 55.434 54.000 -0.025 0.000 0.834 263 D CB -0.120 40.676 40.800 -0.006 0.000 0.956 263 D HN 0.122 nan 8.370 nan 0.000 0.448 264 M N 0.178 119.711 119.600 -0.112 0.000 2.149 264 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 264 M C 2.011 178.162 176.300 -0.248 0.000 1.064 264 M CA 1.215 56.385 55.300 -0.216 0.000 1.102 264 M CB -0.366 31.980 32.600 -0.423 0.000 1.369 264 M HN 0.065 nan 8.290 nan 0.000 0.408 265 C N -0.296 118.816 119.300 -0.314 0.000 2.422 265 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 265 C C 2.843 177.575 174.990 -0.430 0.000 1.305 265 C CA 0.914 59.566 59.018 -0.610 0.000 1.757 265 C CB -1.871 25.372 27.740 -0.829 0.000 1.962 265 C HN 0.710 nan 8.230 nan 0.000 0.499 266 A N 0.232 122.933 122.820 -0.199 0.000 1.968 266 A HA 0.225 4.545 4.320 -0.000 0.000 0.217 266 A C 2.317 179.895 177.584 -0.010 0.000 1.169 266 A CA 1.637 53.642 52.037 -0.055 0.000 0.638 266 A CB -0.619 18.399 19.000 0.030 0.000 0.812 266 A HN 0.531 nan 8.150 nan 0.000 0.446 267 A N -0.188 122.612 122.820 -0.033 0.000 1.873 267 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 267 A C 2.169 179.714 177.584 -0.064 0.000 1.186 267 A CA 1.344 53.380 52.037 -0.002 0.000 0.616 267 A CB -0.605 18.414 19.000 0.031 0.000 0.823 267 A HN 0.481 nan 8.150 nan 0.000 0.442 268 L N -0.370 120.775 121.223 -0.128 0.000 1.989 268 L HA -0.233 4.107 4.340 -0.000 0.000 0.211 268 L C 2.676 179.505 176.870 -0.069 0.000 1.071 268 L CA 2.328 57.096 54.840 -0.120 0.000 0.749 268 L CB -0.376 41.617 42.059 -0.110 0.000 0.890 268 L HN 0.509 nan 8.230 nan 0.000 0.431 269 K N 0.046 120.463 120.400 0.029 0.000 2.074 269 K HA -0.314 4.006 4.320 -0.000 0.000 0.209 269 K C 1.919 178.476 176.600 -0.073 0.000 1.048 269 K CA 2.261 58.584 56.287 0.059 0.000 0.926 269 K CB -0.072 32.523 32.500 0.158 0.000 0.713 269 K HN 0.389 nan 8.250 nan 0.000 0.444 270 E N 0.590 120.763 120.200 -0.045 0.000 2.047 270 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 270 E C 2.122 178.695 176.600 -0.045 0.000 0.987 270 E CA 1.051 57.435 56.400 -0.026 0.000 0.799 270 E CB -0.117 29.619 29.700 0.060 0.000 0.752 270 E HN 0.323 nan 8.360 nan 0.000 0.449 271 L N 0.460 121.645 121.223 -0.063 0.000 2.079 271 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 271 L C 2.504 179.284 176.870 -0.151 0.000 1.081 271 L CA 0.878 55.681 54.840 -0.062 0.000 0.752 271 L CB -0.353 41.651 42.059 -0.092 0.000 0.896 271 L HN 0.290 nan 8.230 nan 0.000 0.433 272 L N -0.940 120.096 121.223 -0.312 0.000 2.046 272 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 272 L C 2.384 178.864 176.870 -0.649 0.000 1.077 272 L CA 1.393 55.838 54.840 -0.658 0.000 0.747 272 L CB -0.393 41.037 42.059 -1.049 0.000 0.896 272 L HN 0.362 nan 8.230 nan 0.000 0.432 273 Q N -0.910 118.682 119.800 -0.348 0.000 2.425 273 Q HA 0.013 4.353 4.340 -0.000 0.000 0.204 273 Q C 0.936 176.927 176.000 -0.016 0.000 0.933 273 Q CA 0.398 56.137 55.803 -0.108 0.000 0.939 273 Q CB 0.401 29.118 28.738 -0.035 0.000 1.044 273 Q HN 0.454 nan 8.270 nan 0.000 0.513 274 N N -0.987 117.696 118.700 -0.027 0.000 2.113 274 N HA 0.119 4.859 4.740 -0.000 0.000 0.223 274 N C 0.209 175.749 175.510 0.050 0.000 1.310 274 N CA 0.874 53.943 53.050 0.031 0.000 0.896 274 N CB 1.863 40.383 38.487 0.055 0.000 1.097 274 N HN 0.193 nan 8.380 nan 0.000 0.507 275 G N 1.520 110.341 108.800 0.034 0.000 2.796 275 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.226 275 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.226 275 G C 0.461 175.440 174.900 0.132 0.000 1.381 275 G CA 0.012 45.153 45.100 0.067 0.000 0.867 275 G HN 0.124 nan 8.290 nan 0.000 0.552 276 M N 0.263 119.958 119.600 0.159 0.000 2.441 276 M HA 0.150 4.630 4.480 -0.000 0.000 0.244 276 M C 1.050 177.425 176.300 0.125 0.000 1.122 276 M CA 0.433 55.899 55.300 0.276 0.000 1.041 276 M CB -0.106 32.679 32.600 0.309 0.000 1.438 276 M HN 0.650 nan 8.290 nan 0.000 0.484 277 N N 1.770 120.511 118.700 0.067 0.000 2.714 277 N HA -0.185 4.555 4.740 -0.000 0.000 0.253 277 N C 0.711 176.191 175.510 -0.050 0.000 1.024 277 N CA 1.013 54.065 53.050 0.002 0.000 0.726 277 N CB -1.658 36.822 38.487 -0.011 0.000 0.908 277 N HN 0.702 nan 8.380 nan 0.000 0.542 278 G N -1.615 107.173 108.800 -0.019 0.000 2.458 278 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.237 278 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.237 278 G C 0.560 175.426 174.900 -0.057 0.000 1.113 278 G CA 0.589 45.670 45.100 -0.033 0.000 0.655 278 G HN 0.640 nan 8.290 nan 0.000 0.513 279 R N 1.116 121.522 120.500 -0.157 0.000 3.016 279 R HA 0.465 4.805 4.340 -0.000 0.000 0.285 279 R C 0.979 177.276 176.300 -0.005 0.000 1.041 279 R CA 1.158 57.112 56.100 -0.243 0.000 1.196 279 R CB -0.079 29.757 30.300 -0.773 0.000 1.160 279 R HN 0.626 nan 8.270 nan 0.000 0.530 280 T N -2.459 112.151 114.554 0.093 0.000 2.887 280 T HA 0.671 5.021 4.350 -0.000 0.000 0.292 280 T C -0.370 174.659 174.700 0.548 0.000 1.087 280 T CA -0.902 61.374 62.100 0.295 0.000 1.009 280 T CB 1.222 70.206 68.868 0.193 0.000 1.203 280 T HN 0.347 nan 8.240 nan 0.000 0.518 281 I N 1.591 122.413 120.570 0.420 0.000 2.478 281 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 281 I C 0.024 176.193 176.117 0.086 0.000 1.042 281 I CA -0.953 60.472 61.300 0.208 0.000 1.067 281 I CB 1.669 39.592 38.000 -0.128 0.000 1.233 281 I HN 0.791 nan 8.210 nan 0.000 0.431 282 L N 6.668 127.879 121.223 -0.020 0.000 3.717 282 L HA -0.293 4.047 4.340 -0.000 0.000 0.414 282 L C 1.247 178.222 176.870 0.175 0.000 1.228 282 L CA 0.769 55.610 54.840 0.002 0.000 0.918 282 L CB -1.668 40.291 42.059 -0.167 0.000 1.865 282 L HN 1.150 nan 8.230 nan 0.000 0.922 283 G N -0.978 107.925 108.800 0.171 0.000 2.168 283 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.263 283 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.263 283 G C 0.276 175.298 174.900 0.204 0.000 0.977 283 G CA 0.684 45.885 45.100 0.169 0.000 0.659 283 G HN 0.655 nan 8.290 nan 0.000 0.533 284 S N 0.603 116.480 115.700 0.295 0.000 2.462 284 S HA 0.678 5.148 4.470 -0.000 0.000 0.294 284 S C 0.879 175.632 174.600 0.256 0.000 1.144 284 S CA 0.640 59.011 58.200 0.285 0.000 1.088 284 S CB 0.862 64.304 63.200 0.403 0.000 1.009 284 S HN 1.191 nan 8.310 nan 0.000 0.484 285 T N 2.408 117.062 114.554 0.166 0.000 2.788 285 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 285 T C 0.788 175.562 174.700 0.122 0.000 1.007 285 T CA -0.073 62.111 62.100 0.140 0.000 1.005 285 T CB -0.228 68.691 68.868 0.085 0.000 1.012 285 T HN 1.766 nan 8.240 nan 0.000 0.530 286 I N -1.731 118.899 120.570 0.099 0.000 8.934 286 I HA -0.193 3.977 4.170 -0.000 0.000 0.126 286 I C -1.284 174.807 176.117 -0.044 0.000 1.836 286 I CA -0.055 61.266 61.300 0.035 0.000 2.081 286 I CB -0.797 37.192 38.000 -0.018 0.000 3.873 286 I HN 0.782 nan 8.210 nan 0.000 0.183 287 L N 4.732 125.894 121.223 -0.101 0.000 2.305 287 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 287 L C 0.446 176.962 176.870 -0.589 0.000 1.085 287 L CA -0.218 54.435 54.840 -0.312 0.000 0.813 287 L CB 1.018 43.060 42.059 -0.029 0.000 1.157 287 L HN 0.652 nan 8.230 nan 0.000 0.436 288 E N 2.493 121.899 120.200 -1.324 0.000 2.283 288 E HA 0.063 4.413 4.350 -0.000 0.000 0.278 288 E C -0.192 176.063 176.600 -0.574 0.000 1.027 288 E CA -0.251 55.534 56.400 -1.026 0.000 0.843 288 E CB 0.911 29.723 29.700 -1.480 0.000 1.062 288 E HN 0.595 nan 8.360 nan 0.000 0.401 289 D N 3.293 123.475 120.400 -0.363 0.000 2.540 289 D HA 0.015 4.655 4.640 -0.000 0.000 0.229 289 D C -0.278 175.898 176.300 -0.207 0.000 1.250 289 D CA 0.017 53.885 54.000 -0.221 0.000 0.817 289 D CB 0.177 40.841 40.800 -0.227 0.000 1.060 289 D HN 0.535 nan 8.370 nan 0.000 0.508 290 E N 0.124 120.130 120.200 -0.324 0.000 2.585 290 E HA 0.190 4.539 4.350 -0.000 0.000 0.206 290 E C -0.749 175.547 176.600 -0.507 0.000 1.007 290 E CA -0.311 55.853 56.400 -0.394 0.000 1.028 290 E CB 0.442 29.870 29.700 -0.452 0.000 1.087 290 E HN 0.197 nan 8.360 nan 0.000 0.455 291 F N 1.391 121.336 119.950 -0.008 0.000 2.427 291 F HA 0.162 4.689 4.527 -0.000 0.000 0.348 291 F C 0.998 176.860 175.800 0.104 0.000 1.125 291 F CA -1.023 57.029 58.000 0.087 0.000 0.989 291 F CB 1.471 40.636 39.000 0.275 0.000 1.165 291 F HN -0.174 nan 8.300 nan 0.000 0.442 292 T N 0.520 115.232 114.554 0.263 0.000 2.849 292 T HA 0.241 4.591 4.350 -0.000 0.000 0.284 292 T C -1.960 172.888 174.700 0.247 0.000 1.004 292 T CA -1.831 60.396 62.100 0.212 0.000 1.021 292 T CB 1.504 70.487 68.868 0.192 0.000 1.013 292 T HN 0.219 nan 8.240 nan 0.000 0.527 293 P HA -0.062 nan 4.420 nan 0.000 0.216 293 P C 1.258 178.725 177.300 0.278 0.000 1.150 293 P CA 1.050 64.275 63.100 0.207 0.000 0.843 293 P CB -0.135 31.659 31.700 0.156 0.000 0.787 294 F N 0.688 120.702 119.950 0.106 0.000 2.102 294 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 294 F C 1.729 177.605 175.800 0.128 0.000 1.105 294 F CA 1.067 59.132 58.000 0.108 0.000 1.239 294 F CB -0.147 38.919 39.000 0.111 0.000 0.991 294 F HN -0.145 nan 8.300 nan 0.000 0.474 295 D N 0.260 120.677 120.400 0.029 0.000 2.123 295 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 295 D C 2.408 178.721 176.300 0.022 0.000 0.992 295 D CA 1.443 55.403 54.000 -0.067 0.000 0.833 295 D CB -0.718 40.167 40.800 0.140 0.000 0.954 295 D HN 0.206 nan 8.370 nan 0.000 0.455 296 V N 0.737 120.741 119.914 0.149 0.000 2.233 296 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 296 V C 2.726 178.886 176.094 0.109 0.000 1.050 296 V CA 1.179 63.577 62.300 0.162 0.000 1.010 296 V CB -0.607 31.300 31.823 0.142 0.000 0.637 296 V HN 0.056 nan 8.190 nan 0.000 0.444 297 V N 0.268 120.258 119.914 0.127 0.000 2.278 297 V HA -0.367 3.753 4.120 -0.000 0.000 0.251 297 V C 2.618 178.767 176.094 0.090 0.000 1.062 297 V CA 2.757 65.138 62.300 0.135 0.000 1.038 297 V CB -0.808 31.156 31.823 0.234 0.000 0.646 297 V HN 0.597 nan 8.190 nan 0.000 0.447 298 R N 0.312 120.807 120.500 -0.008 0.000 2.070 298 R HA -0.205 4.135 4.340 -0.000 0.000 0.232 298 R C 2.002 178.278 176.300 -0.039 0.000 1.138 298 R CA 2.026 58.080 56.100 -0.078 0.000 0.936 298 R CB -0.309 29.800 30.300 -0.318 0.000 0.839 298 R HN 0.587 nan 8.270 nan 0.000 0.429 299 Q N -0.471 119.298 119.800 -0.053 0.000 2.329 299 Q HA 0.114 4.454 4.340 -0.000 0.000 0.208 299 Q C -0.278 175.756 176.000 0.056 0.000 0.934 299 Q CA -0.366 55.410 55.803 -0.045 0.000 0.951 299 Q CB 0.383 29.018 28.738 -0.173 0.000 1.017 299 Q HN 0.283 nan 8.270 nan 0.000 0.490 300 C N 0.000 119.338 119.300 0.063 0.000 2.653 300 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 300 C CA 0.000 59.056 59.018 0.063 0.000 1.963 300 C CB 0.000 27.773 27.740 0.054 0.000 2.134 300 C HN 0.000 nan 8.230 nan 0.000 0.568