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 1t9g_1_D DATA FIRST_RESID 10 DATA SEQUENCE LGFSFEFTEQ QKEFQATARK FAREEIIPVA AEYDKTGEYP VPLIRRAWEL DATA SEQUENCE GLMNTHIPEN CGGLGLGTFD ACLISEELAY GCTGVQTAIE GNSLGQMPII DATA SEQUENCE IAGNDQQKKK YLGRMTEEPL MCAYCVTEPG AGSDVAGIKT KAEKKGDEYI DATA SEQUENCE INGQKMWITN GGKANWYFLL ARSDPDPKAP ANKAFTGFIV EADTPGIQIG DATA SEQUENCE RKELNMGQRC SDTRGIVFED VKVPKENVLI GDGAGFKVAM GAFDKTRPVV DATA SEQUENCE AAGAVGLAQR ALDEATKYAL ERKTFGKLLV EHQAISFMLA EMAMKVELAR DATA SEQUENCE MSYQRAAWEV DSGRRNTYYA SIAKAFAGDI ANQLATDAVQ ILGGNGFNTE DATA SEQUENCE YPVEKLMRDA KIYQIYEGTS QIQRLIVARE HIDKYKN 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.890 176.870 0.033 0.000 1.165 10 L CA 0.000 54.862 54.840 0.037 0.000 0.813 10 L CB 0.000 42.074 42.059 0.026 0.000 0.961 11 G N -0.263 108.572 108.800 0.058 0.000 2.435 11 G HA2 0.486 4.446 3.960 -0.000 0.000 0.603 11 G HA3 0.486 4.446 3.960 -0.000 0.000 0.603 11 G C -0.842 174.117 174.900 0.098 0.000 1.496 11 G CA -0.587 44.563 45.100 0.082 0.000 0.896 11 G HN 1.371 nan 8.290 nan 0.000 0.657 12 F N 1.043 120.879 119.950 -0.191 0.000 2.518 12 F HA 0.637 5.164 4.527 -0.000 0.000 0.359 12 F C 1.157 176.743 175.800 -0.358 0.000 1.118 12 F CA 0.217 57.999 58.000 -0.363 0.000 1.287 12 F CB 1.869 40.657 39.000 -0.354 0.000 1.132 12 F HN 0.475 nan 8.300 nan 0.000 0.587 13 S N 2.916 118.353 115.700 -0.439 0.000 2.538 13 S HA 0.601 5.071 4.470 -0.000 0.000 0.288 13 S C -0.612 173.639 174.600 -0.582 0.000 1.108 13 S CA -0.502 57.498 58.200 -0.333 0.000 0.971 13 S CB 0.335 63.401 63.200 -0.223 0.000 1.041 13 S HN 0.351 nan 8.310 nan 0.000 0.483 14 F N 1.701 121.599 119.950 -0.086 0.000 2.908 14 F HA 0.418 4.945 4.527 0.000 0.000 0.328 14 F C 0.965 176.671 175.800 -0.155 0.000 1.211 14 F CA -0.276 57.658 58.000 -0.111 0.000 1.291 14 F CB 0.370 39.316 39.000 -0.090 0.000 0.962 14 F HN 0.635 nan 8.300 nan 0.000 0.505 15 E N 0.510 120.700 120.200 -0.017 0.000 2.171 15 E HA 0.567 4.917 4.350 -0.000 0.000 0.271 15 E C -0.607 175.989 176.600 -0.007 0.000 0.916 15 E CA -0.767 55.589 56.400 -0.074 0.000 0.774 15 E CB 1.175 30.856 29.700 -0.032 0.000 1.128 15 E HN 0.063 nan 8.360 nan 0.000 0.403 16 F N 1.159 121.131 119.950 0.037 0.000 2.485 16 F HA 0.321 4.848 4.527 -0.000 0.000 0.327 16 F C 1.966 177.741 175.800 -0.041 0.000 1.203 16 F CA -0.039 57.970 58.000 0.016 0.000 1.295 16 F CB 0.975 40.019 39.000 0.072 0.000 1.191 16 F HN 0.552 nan 8.300 nan 0.000 0.588 17 T N -1.872 112.761 114.554 0.132 0.000 2.860 17 T HA 0.078 4.428 4.350 -0.000 0.000 0.299 17 T C 1.063 175.758 174.700 -0.008 0.000 1.045 17 T CA -0.426 61.677 62.100 0.005 0.000 1.071 17 T CB 0.878 69.700 68.868 -0.078 0.000 0.985 17 T HN 0.758 nan 8.240 nan 0.000 0.537 18 E N 0.606 120.785 120.200 -0.036 0.000 2.110 18 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 18 E C 1.914 178.434 176.600 -0.133 0.000 0.988 18 E CA 1.202 57.576 56.400 -0.044 0.000 0.804 18 E CB -0.165 29.515 29.700 -0.034 0.000 0.745 18 E HN 0.831 nan 8.360 nan 0.000 0.458 19 Q N 0.104 119.768 119.800 -0.226 0.000 2.077 19 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 19 Q C 2.213 177.752 176.000 -0.768 0.000 0.989 19 Q CA 2.194 57.714 55.803 -0.472 0.000 0.853 19 Q CB -0.029 28.418 28.738 -0.485 0.000 0.907 19 Q HN 0.477 nan 8.270 nan 0.000 0.418 20 Q N -0.338 119.148 119.800 -0.523 0.000 2.230 20 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 20 Q C 1.935 177.812 176.000 -0.204 0.000 0.963 20 Q CA 0.990 56.527 55.803 -0.443 0.000 0.866 20 Q CB 0.118 28.668 28.738 -0.312 0.000 0.931 20 Q HN 0.260 nan 8.270 nan 0.000 0.452 21 K N 0.708 121.083 120.400 -0.042 0.000 2.057 21 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 21 K C 1.900 178.539 176.600 0.064 0.000 1.050 21 K CA 1.066 57.413 56.287 0.101 0.000 0.935 21 K CB 0.032 32.615 32.500 0.138 0.000 0.715 21 K HN 0.256 nan 8.250 nan 0.000 0.439 22 E N 0.592 120.796 120.200 0.007 0.000 2.051 22 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 22 E C 2.032 178.750 176.600 0.198 0.000 0.991 22 E CA 1.028 57.469 56.400 0.068 0.000 0.799 22 E CB -0.241 29.483 29.700 0.039 0.000 0.748 22 E HN 0.194 nan 8.360 nan 0.000 0.449 23 F N 1.808 121.743 119.950 -0.026 0.000 2.065 23 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 23 F C 2.692 178.471 175.800 -0.034 0.000 1.112 23 F CA 1.316 59.288 58.000 -0.046 0.000 1.212 23 F CB -1.262 37.693 39.000 -0.075 0.000 0.975 23 F HN 0.108 nan 8.300 nan 0.000 0.476 24 Q N -0.032 119.878 119.800 0.182 0.000 2.096 24 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 24 Q C 2.322 178.383 176.000 0.102 0.000 0.982 24 Q CA 1.777 57.646 55.803 0.110 0.000 0.850 24 Q CB -0.235 28.570 28.738 0.111 0.000 0.901 24 Q HN 0.332 nan 8.270 nan 0.000 0.422 25 A N -0.045 122.838 122.820 0.105 0.000 1.877 25 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 25 A C 2.255 179.886 177.584 0.079 0.000 1.186 25 A CA 1.951 54.037 52.037 0.081 0.000 0.620 25 A CB -1.081 17.963 19.000 0.074 0.000 0.822 25 A HN 0.471 nan 8.150 nan 0.000 0.443 26 T N 0.080 114.686 114.554 0.087 0.000 2.652 26 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 26 T C 2.236 176.988 174.700 0.087 0.000 1.039 26 T CA 1.855 63.997 62.100 0.070 0.000 1.153 26 T CB -0.492 68.397 68.868 0.036 0.000 0.863 26 T HN 0.606 nan 8.240 nan 0.000 0.428 27 A N 1.304 124.170 122.820 0.076 0.000 1.940 27 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 27 A C 2.270 179.933 177.584 0.132 0.000 1.176 27 A CA 1.982 54.083 52.037 0.106 0.000 0.631 27 A CB -0.571 18.468 19.000 0.065 0.000 0.814 27 A HN 0.449 nan 8.150 nan 0.000 0.446 28 R N -0.220 120.326 120.500 0.076 0.000 2.075 28 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 28 R C 2.246 178.570 176.300 0.040 0.000 1.126 28 R CA 1.783 57.897 56.100 0.024 0.000 0.963 28 R CB -0.245 30.047 30.300 -0.013 0.000 0.858 28 R HN 0.551 nan 8.270 nan 0.000 0.435 29 K N -0.147 120.298 120.400 0.076 0.000 1.991 29 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 29 K C 1.879 178.555 176.600 0.128 0.000 1.049 29 K CA 2.020 58.358 56.287 0.085 0.000 0.932 29 K CB -0.472 32.083 32.500 0.091 0.000 0.717 29 K HN 0.155 nan 8.250 nan 0.000 0.441 30 F N 1.039 120.992 119.950 0.005 0.000 2.161 30 F HA -0.169 4.358 4.527 -0.000 0.000 0.300 30 F C 1.893 177.704 175.800 0.019 0.000 1.089 30 F CA 1.628 59.634 58.000 0.010 0.000 1.282 30 F CB -0.593 38.407 39.000 0.001 0.000 1.010 30 F HN 0.170 nan 8.300 nan 0.000 0.485 31 A N 0.704 123.486 122.820 -0.063 0.000 1.872 31 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 31 A C 2.292 179.815 177.584 -0.102 0.000 1.187 31 A CA 1.119 53.059 52.037 -0.162 0.000 0.614 31 A CB -0.476 18.526 19.000 0.004 0.000 0.826 31 A HN 0.303 nan 8.150 nan 0.000 0.442 32 R N 0.180 120.655 120.500 -0.042 0.000 2.075 32 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 32 R C 1.705 177.990 176.300 -0.025 0.000 1.126 32 R CA 1.632 57.727 56.100 -0.008 0.000 0.963 32 R CB -0.725 29.566 30.300 -0.015 0.000 0.858 32 R HN 0.723 nan 8.270 nan 0.000 0.435 33 E N 0.026 120.201 120.200 -0.041 0.000 2.216 33 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 33 E C 1.475 178.038 176.600 -0.062 0.000 0.973 33 E CA 0.448 56.832 56.400 -0.026 0.000 0.851 33 E CB 0.337 30.045 29.700 0.014 0.000 0.804 33 E HN 0.414 nan 8.360 nan 0.000 0.477 34 E N -0.044 120.054 120.200 -0.171 0.000 2.290 34 E HA 0.090 4.440 4.350 -0.000 0.000 0.199 34 E C 2.032 178.459 176.600 -0.288 0.000 0.912 34 E CA 0.019 56.291 56.400 -0.214 0.000 0.924 34 E CB 0.495 30.056 29.700 -0.232 0.000 0.901 34 E HN 0.135 nan 8.360 nan 0.000 0.487 35 I N 1.264 121.574 120.570 -0.433 0.000 2.206 35 I HA -0.190 3.980 4.170 -0.000 0.000 0.239 35 I C 2.448 178.503 176.117 -0.102 0.000 1.078 35 I CA 0.960 62.092 61.300 -0.280 0.000 1.367 35 I CB -0.288 37.530 38.000 -0.303 0.000 1.078 35 I HN 0.055 nan 8.210 nan 0.000 0.413 36 I N 1.438 121.965 120.570 -0.070 0.000 2.118 36 I HA -0.217 3.952 4.170 -0.000 0.000 0.241 36 I C -0.263 175.848 176.117 -0.011 0.000 1.070 36 I CA 1.810 63.103 61.300 -0.013 0.000 1.327 36 I CB -1.835 36.182 38.000 0.028 0.000 1.034 36 I HN 0.188 nan 8.210 nan 0.000 0.405 37 P HA -0.136 nan 4.420 nan 0.000 0.219 37 P C 1.383 178.679 177.300 -0.007 0.000 1.146 37 P CA 1.347 64.440 63.100 -0.012 0.000 0.808 37 P CB -0.162 31.530 31.700 -0.013 0.000 0.779 38 V N -5.356 114.567 119.914 0.016 0.000 3.528 38 V HA 0.483 4.603 4.120 -0.000 0.000 0.294 38 V C 1.977 178.139 176.094 0.112 0.000 1.404 38 V CA 0.583 62.909 62.300 0.044 0.000 1.065 38 V CB -0.837 31.041 31.823 0.092 0.000 0.904 38 V HN -0.030 nan 8.190 nan 0.000 0.435 39 A N 1.297 124.170 122.820 0.088 0.000 1.978 39 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 39 A C 2.398 180.025 177.584 0.071 0.000 1.170 39 A CA 2.454 54.548 52.037 0.095 0.000 0.636 39 A CB -0.715 18.304 19.000 0.031 0.000 0.810 39 A HN 1.065 nan 8.150 nan 0.000 0.448 40 A N -0.977 121.856 122.820 0.021 0.000 1.930 40 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 40 A C 1.959 179.534 177.584 -0.015 0.000 1.176 40 A CA 1.438 53.473 52.037 -0.002 0.000 0.632 40 A CB -0.351 18.633 19.000 -0.026 0.000 0.819 40 A HN 0.384 nan 8.150 nan 0.000 0.445 41 E N -0.272 119.897 120.200 -0.051 0.000 2.049 41 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 41 E C 1.756 178.287 176.600 -0.115 0.000 1.007 41 E CA 1.622 57.945 56.400 -0.129 0.000 0.809 41 E CB -0.592 28.956 29.700 -0.255 0.000 0.749 41 E HN 0.801 nan 8.360 nan 0.000 0.450 42 Y N 0.645 120.935 120.300 -0.016 0.000 2.224 42 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 42 Y C 2.362 178.260 175.900 -0.003 0.000 1.146 42 Y CA 1.467 59.562 58.100 -0.008 0.000 1.182 42 Y CB -0.126 38.325 38.460 -0.015 0.000 0.983 42 Y HN 0.154 nan 8.280 nan 0.000 0.524 43 D N -0.466 120.009 120.400 0.125 0.000 2.117 43 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 43 D C 2.268 178.587 176.300 0.031 0.000 0.982 43 D CA 1.516 55.554 54.000 0.063 0.000 0.828 43 D CB 0.123 40.941 40.800 0.031 0.000 0.967 43 D HN -0.107 nan 8.370 nan 0.000 0.464 44 K N -0.980 119.423 120.400 0.006 0.000 2.032 44 K HA -0.110 4.210 4.320 -0.000 0.000 0.209 44 K C 2.467 179.066 176.600 -0.000 0.000 1.048 44 K CA 1.764 58.045 56.287 -0.011 0.000 0.927 44 K CB -1.286 31.195 32.500 -0.031 0.000 0.712 44 K HN 0.642 nan 8.250 nan 0.000 0.441 45 T N -3.698 110.858 114.554 0.004 0.000 3.065 45 T HA 0.246 4.596 4.350 -0.000 0.000 0.252 45 T C 1.604 176.336 174.700 0.054 0.000 1.099 45 T CA 0.836 62.943 62.100 0.011 0.000 1.063 45 T CB 0.317 69.172 68.868 -0.022 0.000 0.948 45 T HN 0.568 nan 8.240 nan 0.000 0.506 46 G N 1.836 110.687 108.800 0.085 0.000 2.200 46 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 46 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 46 G C -0.123 174.871 174.900 0.156 0.000 0.993 46 G CA 0.620 45.785 45.100 0.109 0.000 0.701 46 G HN 0.956 nan 8.290 nan 0.000 0.524 47 E N -0.338 119.982 120.200 0.199 0.000 2.354 47 E HA 0.358 4.708 4.350 -0.000 0.000 0.269 47 E C -0.204 176.611 176.600 0.358 0.000 1.036 47 E CA -1.004 55.549 56.400 0.255 0.000 0.876 47 E CB 0.373 30.198 29.700 0.207 0.000 1.009 47 E HN 0.220 nan 8.360 nan 0.000 0.416 48 Y N 5.835 126.210 120.300 0.124 0.000 2.544 48 Y HA 0.101 4.651 4.550 -0.000 0.000 0.330 48 Y C -1.668 174.201 175.900 -0.052 0.000 1.136 48 Y CA -2.286 55.831 58.100 0.029 0.000 1.417 48 Y CB 0.875 39.347 38.460 0.020 0.000 1.229 48 Y HN 0.419 nan 8.280 nan 0.000 0.532 49 P HA -0.057 nan 4.420 nan 0.000 0.261 49 P C 1.007 177.998 177.300 -0.514 0.000 1.650 49 P CA 0.391 62.924 63.100 -0.945 0.000 0.846 49 P CB -0.392 30.699 31.700 -1.014 0.000 1.758 50 V N 1.190 120.929 119.914 -0.293 0.000 2.252 50 V HA -0.237 3.883 4.120 -0.000 0.000 0.255 50 V C -0.159 175.901 176.094 -0.057 0.000 1.071 50 V CA 2.542 64.767 62.300 -0.125 0.000 1.050 50 V CB -2.790 29.060 31.823 0.045 0.000 0.654 50 V HN 0.298 nan 8.190 nan 0.000 0.448 51 P HA -0.153 nan 4.420 nan 0.000 0.216 51 P C 1.923 179.265 177.300 0.070 0.000 1.150 51 P CA 1.531 64.668 63.100 0.063 0.000 0.843 51 P CB -0.091 31.683 31.700 0.124 0.000 0.787 52 L N -1.522 119.712 121.223 0.019 0.000 2.095 52 L HA -0.076 4.264 4.340 -0.000 0.000 0.204 52 L C 2.450 179.405 176.870 0.142 0.000 1.080 52 L CA 0.965 55.872 54.840 0.112 0.000 0.759 52 L CB -0.640 41.400 42.059 -0.032 0.000 0.914 52 L HN -0.087 nan 8.230 nan 0.000 0.439 53 I N -0.136 120.426 120.570 -0.014 0.000 2.142 53 I HA -0.322 3.848 4.170 -0.000 0.000 0.240 53 I C 2.684 178.836 176.117 0.059 0.000 1.078 53 I CA 1.385 62.680 61.300 -0.009 0.000 1.343 53 I CB -0.831 37.102 38.000 -0.111 0.000 1.046 53 I HN 0.282 nan 8.210 nan 0.000 0.405 54 R N 0.908 121.428 120.500 0.034 0.000 2.133 54 R HA -0.187 4.153 4.340 -0.000 0.000 0.247 54 R C 2.529 178.920 176.300 0.151 0.000 1.151 54 R CA 1.431 57.576 56.100 0.075 0.000 0.971 54 R CB -0.179 30.135 30.300 0.022 0.000 0.866 54 R HN 0.183 nan 8.270 nan 0.000 0.447 55 R N -0.271 120.289 120.500 0.099 0.000 2.066 55 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 55 R C 2.139 178.311 176.300 -0.214 0.000 1.131 55 R CA 1.553 57.665 56.100 0.020 0.000 0.955 55 R CB -0.802 29.592 30.300 0.157 0.000 0.851 55 R HN 0.367 nan 8.270 nan 0.000 0.432 56 A N -0.414 122.233 122.820 -0.289 0.000 1.972 56 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 56 A C 2.025 179.490 177.584 -0.199 0.000 1.169 56 A CA 1.312 53.058 52.037 -0.485 0.000 0.635 56 A CB -0.806 18.056 19.000 -0.229 0.000 0.810 56 A HN 0.575 nan 8.150 nan 0.000 0.446 57 W N 0.767 121.954 121.300 -0.189 0.000 2.378 57 W HA -0.133 4.527 4.660 -0.000 0.000 0.313 57 W C 1.943 178.385 176.519 -0.128 0.000 1.197 57 W CA 1.845 59.114 57.345 -0.127 0.000 1.304 57 W CB -0.233 29.181 29.460 -0.076 0.000 1.148 57 W HN 0.452 nan 8.180 nan 0.000 0.494 58 E N 0.120 120.377 120.200 0.094 0.000 2.187 58 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 58 E C 2.070 178.501 176.600 -0.281 0.000 1.004 58 E CA 1.774 58.102 56.400 -0.119 0.000 0.813 58 E CB -0.558 29.171 29.700 0.049 0.000 0.736 58 E HN 0.394 nan 8.360 nan 0.000 0.468 59 L N -1.181 119.863 121.223 -0.299 0.000 2.341 59 L HA 0.080 4.420 4.340 -0.000 0.000 0.214 59 L C 1.423 178.094 176.870 -0.332 0.000 1.115 59 L CA 0.522 55.175 54.840 -0.312 0.000 0.820 59 L CB 0.101 41.924 42.059 -0.394 0.000 0.944 59 L HN 0.321 nan 8.230 nan 0.000 0.452 60 G N -0.127 108.437 108.800 -0.394 0.000 2.141 60 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.195 60 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.195 60 G C 0.504 175.200 174.900 -0.341 0.000 1.012 60 G CA -0.095 44.770 45.100 -0.392 0.000 0.696 60 G HN 0.247 nan 8.290 nan 0.000 0.508 61 L N -0.956 120.089 121.223 -0.297 0.000 2.616 61 L HA 0.503 4.843 4.340 -0.000 0.000 0.229 61 L C 1.579 178.359 176.870 -0.151 0.000 1.110 61 L CA 0.170 54.866 54.840 -0.241 0.000 0.884 61 L CB 0.133 42.050 42.059 -0.236 0.000 1.115 61 L HN 0.452 nan 8.230 nan 0.000 0.481 62 M N -0.215 119.317 119.600 -0.115 0.000 2.753 62 M HA 0.283 4.763 4.480 -0.000 0.000 0.299 62 M C -0.119 176.176 176.300 -0.009 0.000 1.219 62 M CA -0.432 54.864 55.300 -0.006 0.000 0.900 62 M CB 1.197 33.868 32.600 0.119 0.000 1.628 62 M HN 0.100 nan 8.290 nan 0.000 0.502 63 N N 0.950 119.686 118.700 0.059 0.000 2.702 63 N HA -0.190 4.550 4.740 -0.000 0.000 0.261 63 N C 0.579 176.104 175.510 0.025 0.000 0.965 63 N CA 1.015 54.116 53.050 0.085 0.000 0.795 63 N CB -1.656 36.912 38.487 0.136 0.000 0.909 63 N HN 0.904 nan 8.380 nan 0.000 0.546 64 T N -4.223 110.304 114.554 -0.044 0.000 3.072 64 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 64 T C 1.258 175.878 174.700 -0.133 0.000 1.127 64 T CA 0.893 62.904 62.100 -0.150 0.000 1.107 64 T CB 0.010 68.727 68.868 -0.252 0.000 0.910 64 T HN 0.481 nan 8.240 nan 0.000 0.513 65 H N 0.507 119.579 119.070 0.003 0.000 2.486 65 H HA 0.380 4.936 4.556 -0.000 0.000 0.287 65 H C 0.906 176.248 175.328 0.023 0.000 1.010 65 H CA -0.132 55.925 56.048 0.015 0.000 1.324 65 H CB 0.003 29.776 29.762 0.018 0.000 1.446 65 H HN 0.376 nan 8.280 nan 0.000 0.537 66 I N 4.455 125.121 120.570 0.161 0.000 3.148 66 I HA -0.141 4.029 4.170 -0.000 0.000 0.317 66 I C -2.004 174.154 176.117 0.070 0.000 1.237 66 I CA -0.828 60.538 61.300 0.110 0.000 1.423 66 I CB 0.086 38.150 38.000 0.106 0.000 1.352 66 I HN -0.025 nan 8.210 nan 0.000 0.526 67 P HA 0.056 nan 4.420 nan 0.000 0.272 67 P C 0.507 177.824 177.300 0.029 0.000 1.240 67 P CA -0.246 62.880 63.100 0.042 0.000 0.791 67 P CB 0.735 32.457 31.700 0.037 0.000 0.978 68 E N 1.236 121.448 120.200 0.019 0.000 2.038 68 E HA -0.263 4.086 4.350 -0.000 0.000 0.195 68 E C 1.374 177.981 176.600 0.012 0.000 1.000 68 E CA 1.867 58.273 56.400 0.011 0.000 0.803 68 E CB -0.506 29.199 29.700 0.008 0.000 0.750 68 E HN 0.575 nan 8.360 nan 0.000 0.448 69 N N -0.776 117.931 118.700 0.013 0.000 2.651 69 N HA -0.125 4.615 4.740 -0.000 0.000 0.193 69 N C 0.476 175.995 175.510 0.015 0.000 1.149 69 N CA 0.747 53.804 53.050 0.011 0.000 0.933 69 N CB -0.201 38.292 38.487 0.009 0.000 0.974 69 N HN 0.042 nan 8.380 nan 0.000 0.448 70 C N -1.063 118.251 119.300 0.023 0.000 2.994 70 C HA 0.626 5.086 4.460 -0.000 0.000 0.284 70 C C 1.610 176.622 174.990 0.037 0.000 1.404 70 C CA -0.035 59.001 59.018 0.031 0.000 1.775 70 C CB -0.953 26.815 27.740 0.045 0.000 2.458 70 C HN 0.724 nan 8.230 nan 0.000 0.593 71 G N 0.890 109.705 108.800 0.025 0.000 2.179 71 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.260 71 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.260 71 G C 0.403 175.309 174.900 0.011 0.000 0.977 71 G CA 0.287 45.399 45.100 0.020 0.000 0.641 71 G HN 0.798 nan 8.290 nan 0.000 0.533 72 G N -1.417 107.392 108.800 0.015 0.000 2.642 72 G HA2 0.624 4.584 3.960 -0.000 0.000 0.291 72 G HA3 0.624 4.584 3.960 -0.000 0.000 0.291 72 G C 0.635 175.523 174.900 -0.019 0.000 1.345 72 G CA -0.449 44.651 45.100 0.001 0.000 1.043 72 G HN 0.320 nan 8.290 nan 0.000 0.528 73 L N 0.618 121.819 121.223 -0.037 0.000 2.567 73 L HA 0.258 4.598 4.340 -0.000 0.000 0.225 73 L C 2.163 179.026 176.870 -0.012 0.000 1.119 73 L CA 0.577 55.393 54.840 -0.041 0.000 0.871 73 L CB -0.758 41.247 42.059 -0.090 0.000 1.036 73 L HN 0.948 nan 8.230 nan 0.000 0.459 74 G N 0.892 109.694 108.800 0.004 0.000 2.393 74 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.299 74 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.299 74 G C 0.015 174.925 174.900 0.017 0.000 0.990 74 G CA 0.157 45.271 45.100 0.023 0.000 1.118 74 G HN 0.142 nan 8.290 nan 0.000 0.513 75 L N 0.177 121.388 121.223 -0.020 0.000 2.360 75 L HA 0.810 5.150 4.340 -0.000 0.000 0.271 75 L C 1.339 178.177 176.870 -0.053 0.000 1.057 75 L CA 0.065 54.888 54.840 -0.029 0.000 0.803 75 L CB 1.158 43.179 42.059 -0.062 0.000 1.207 75 L HN 0.302 nan 8.230 nan 0.000 0.445 76 G N 0.438 109.246 108.800 0.013 0.000 2.651 76 G HA2 0.292 4.252 3.960 -0.000 0.000 0.260 76 G HA3 0.292 4.252 3.960 -0.000 0.000 0.260 76 G C 0.658 175.599 174.900 0.068 0.000 1.216 76 G CA 0.022 45.163 45.100 0.068 0.000 0.913 76 G HN 0.688 nan 8.290 nan 0.000 0.535 77 T N 0.226 114.906 114.554 0.211 0.000 2.833 77 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 77 T C 1.882 176.712 174.700 0.216 0.000 1.054 77 T CA 1.376 63.632 62.100 0.259 0.000 1.135 77 T CB -0.284 68.737 68.868 0.257 0.000 0.869 77 T HN 0.401 nan 8.240 nan 0.000 0.466 78 F N 2.139 122.154 119.950 0.109 0.000 2.216 78 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 78 F C 1.967 177.819 175.800 0.087 0.000 1.085 78 F CA 1.170 59.251 58.000 0.135 0.000 1.326 78 F CB -0.048 39.038 39.000 0.143 0.000 1.027 78 F HN 0.122 nan 8.300 nan 0.000 0.497 79 D N 0.402 120.963 120.400 0.268 0.000 2.123 79 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 79 D C 2.368 178.678 176.300 0.017 0.000 0.976 79 D CA 1.286 55.386 54.000 0.166 0.000 0.831 79 D CB -0.511 40.398 40.800 0.181 0.000 0.974 79 D HN 0.404 nan 8.370 nan 0.000 0.469 80 A N 0.857 123.652 122.820 -0.042 0.000 1.898 80 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 80 A C 2.562 180.120 177.584 -0.042 0.000 1.181 80 A CA 1.013 53.006 52.037 -0.074 0.000 0.620 80 A CB -0.969 17.990 19.000 -0.069 0.000 0.819 80 A HN 0.299 nan 8.150 nan 0.000 0.442 81 C N -0.545 118.736 119.300 -0.031 0.000 2.413 81 C HA -0.090 4.369 4.460 -0.000 0.000 0.276 81 C C 2.709 177.661 174.990 -0.064 0.000 1.236 81 C CA 1.330 60.300 59.018 -0.080 0.000 1.735 81 C CB -1.482 26.280 27.740 0.037 0.000 2.031 81 C HN 0.783 nan 8.230 nan 0.000 0.474 82 L N -0.192 121.001 121.223 -0.051 0.000 2.109 82 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 82 L C 2.080 178.948 176.870 -0.003 0.000 1.086 82 L CA 1.789 56.615 54.840 -0.023 0.000 0.760 82 L CB -1.065 40.894 42.059 -0.166 0.000 0.910 82 L HN 0.229 nan 8.230 nan 0.000 0.437 83 I N 0.816 121.375 120.570 -0.018 0.000 2.226 83 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 83 I C 2.798 178.917 176.117 0.003 0.000 1.100 83 I CA 1.770 63.063 61.300 -0.012 0.000 1.374 83 I CB -0.355 37.610 38.000 -0.058 0.000 1.057 83 I HN 0.618 nan 8.210 nan 0.000 0.413 84 S N -0.268 115.419 115.700 -0.022 0.000 2.414 84 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 84 S C 1.931 176.521 174.600 -0.018 0.000 1.022 84 S CA 0.912 59.104 58.200 -0.015 0.000 0.958 84 S CB -0.272 62.910 63.200 -0.029 0.000 0.797 84 S HN 0.476 nan 8.310 nan 0.000 0.493 85 E N 0.916 121.086 120.200 -0.050 0.000 2.049 85 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 85 E C 1.924 178.568 176.600 0.074 0.000 1.007 85 E CA 1.566 57.961 56.400 -0.009 0.000 0.809 85 E CB -0.151 29.578 29.700 0.050 0.000 0.749 85 E HN 0.515 nan 8.360 nan 0.000 0.450 86 E N 0.379 120.622 120.200 0.071 0.000 2.118 86 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 86 E C 2.280 178.945 176.600 0.108 0.000 0.992 86 E CA 0.900 57.342 56.400 0.070 0.000 0.804 86 E CB -0.202 29.530 29.700 0.054 0.000 0.741 86 E HN 0.424 nan 8.360 nan 0.000 0.458 87 L N 0.014 121.299 121.223 0.104 0.000 2.095 87 L HA -0.031 4.309 4.340 -0.000 0.000 0.204 87 L C 2.568 179.501 176.870 0.106 0.000 1.080 87 L CA 0.847 55.755 54.840 0.113 0.000 0.759 87 L CB -0.590 41.541 42.059 0.119 0.000 0.914 87 L HN 0.025 nan 8.230 nan 0.000 0.439 88 A N -0.153 122.725 122.820 0.096 0.000 1.908 88 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 88 A C 2.222 179.863 177.584 0.094 0.000 1.181 88 A CA 1.676 53.764 52.037 0.084 0.000 0.627 88 A CB -1.016 18.012 19.000 0.046 0.000 0.818 88 A HN 0.489 nan 8.150 nan 0.000 0.445 89 Y N 0.991 121.292 120.300 0.002 0.000 2.241 89 Y HA -0.157 4.393 4.550 -0.000 0.000 0.286 89 Y C 2.291 178.189 175.900 -0.004 0.000 1.166 89 Y CA 1.322 59.424 58.100 0.003 0.000 1.203 89 Y CB -0.627 37.841 38.460 0.013 0.000 0.977 89 Y HN 0.222 nan 8.280 nan 0.000 0.529 90 G N -1.461 107.471 108.800 0.220 0.000 2.425 90 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.213 90 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.213 90 G C -0.290 174.619 174.900 0.015 0.000 1.201 90 G CA 0.814 45.977 45.100 0.105 0.000 0.799 90 G HN 0.437 nan 8.290 nan 0.000 0.534 91 C N -0.078 119.233 119.300 0.018 0.000 3.094 91 C HA 0.500 4.960 4.460 -0.000 0.000 0.414 91 C C 1.508 176.520 174.990 0.037 0.000 0.993 91 C CA 0.175 59.198 59.018 0.009 0.000 1.217 91 C CB 0.664 28.401 27.740 -0.004 0.000 1.603 91 C HN 0.573 nan 8.230 nan 0.000 0.564 92 T N 1.878 116.467 114.554 0.058 0.000 3.023 92 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 92 T C 1.798 176.547 174.700 0.082 0.000 1.093 92 T CA 1.804 63.973 62.100 0.114 0.000 1.129 92 T CB -0.233 68.768 68.868 0.222 0.000 0.899 92 T HN 1.289 nan 8.240 nan 0.000 0.491 93 G N 1.570 110.394 108.800 0.040 0.000 2.553 93 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 93 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 93 G C 1.670 176.577 174.900 0.012 0.000 1.195 93 G CA 1.408 46.522 45.100 0.024 0.000 0.779 93 G HN 0.623 nan 8.290 nan 0.000 0.577 94 V N -0.262 119.640 119.914 -0.020 0.000 2.535 94 V HA -0.033 4.086 4.120 -0.000 0.000 0.246 94 V C 2.451 178.548 176.094 0.006 0.000 1.045 94 V CA 2.351 64.616 62.300 -0.057 0.000 1.058 94 V CB 0.149 31.900 31.823 -0.121 0.000 0.689 94 V HN 0.406 nan 8.190 nan 0.000 0.461 95 Q N 0.380 120.208 119.800 0.046 0.000 2.135 95 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 95 Q C 2.130 178.180 176.000 0.084 0.000 0.981 95 Q CA 2.754 58.602 55.803 0.074 0.000 0.856 95 Q CB -0.717 28.076 28.738 0.092 0.000 0.902 95 Q HN 0.674 nan 8.270 nan 0.000 0.425 96 T N 0.894 115.510 114.554 0.104 0.000 2.821 96 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 96 T C 1.735 176.498 174.700 0.106 0.000 1.046 96 T CA 1.255 63.431 62.100 0.128 0.000 1.139 96 T CB -0.261 68.713 68.868 0.177 0.000 0.871 96 T HN 0.468 nan 8.240 nan 0.000 0.454 97 A N 1.689 124.561 122.820 0.086 0.000 1.877 97 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 97 A C 2.293 179.923 177.584 0.077 0.000 1.186 97 A CA 1.532 53.632 52.037 0.105 0.000 0.620 97 A CB -0.711 18.304 19.000 0.025 0.000 0.822 97 A HN 0.673 nan 8.150 nan 0.000 0.443 98 I N -2.113 118.483 120.570 0.043 0.000 2.439 98 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 98 I C 1.913 178.060 176.117 0.051 0.000 1.139 98 I CA 2.149 63.477 61.300 0.047 0.000 1.438 98 I CB -0.170 37.857 38.000 0.046 0.000 1.085 98 I HN 0.184 nan 8.210 nan 0.000 0.427 99 E N 1.715 121.945 120.200 0.050 0.000 2.106 99 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 99 E C 2.196 178.809 176.600 0.023 0.000 0.984 99 E CA 1.383 57.805 56.400 0.037 0.000 0.806 99 E CB -0.757 28.959 29.700 0.027 0.000 0.750 99 E HN 0.620 nan 8.360 nan 0.000 0.458 100 G N 0.315 109.135 108.800 0.033 0.000 2.501 100 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.220 100 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.220 100 G C 1.500 176.411 174.900 0.018 0.000 1.114 100 G CA 0.773 45.890 45.100 0.029 0.000 0.757 100 G HN 0.202 nan 8.290 nan 0.000 0.559 101 N N 0.808 119.520 118.700 0.019 0.000 2.142 101 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 101 N C 2.543 178.063 175.510 0.016 0.000 1.023 101 N CA 1.202 54.248 53.050 -0.006 0.000 0.852 101 N CB -0.273 38.224 38.487 0.017 0.000 0.998 101 N HN 0.203 nan 8.380 nan 0.000 0.424 102 S N 0.689 116.417 115.700 0.046 0.000 2.399 102 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 102 S C 1.793 176.381 174.600 -0.021 0.000 1.022 102 S CA 0.499 58.731 58.200 0.054 0.000 0.983 102 S CB -0.259 63.012 63.200 0.118 0.000 0.803 102 S HN 0.226 nan 8.310 nan 0.000 0.480 103 L N 2.165 123.367 121.223 -0.035 0.000 2.056 103 L HA 0.113 4.453 4.340 -0.000 0.000 0.207 103 L C 2.240 179.123 176.870 0.021 0.000 1.078 103 L CA 1.937 56.722 54.840 -0.091 0.000 0.749 103 L CB -1.353 40.623 42.059 -0.139 0.000 0.901 103 L HN 0.300 nan 8.230 nan 0.000 0.433 104 G N -1.691 107.159 108.800 0.083 0.000 2.448 104 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 104 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 104 G C 1.454 176.455 174.900 0.169 0.000 1.135 104 G CA 0.555 45.744 45.100 0.148 0.000 0.784 104 G HN 0.518 nan 8.290 nan 0.000 0.543 105 Q N -1.088 118.783 119.800 0.120 0.000 2.269 105 Q HA 0.146 4.486 4.340 -0.000 0.000 0.201 105 Q C 2.375 178.429 176.000 0.091 0.000 0.946 105 Q CA 0.449 56.398 55.803 0.243 0.000 0.877 105 Q CB -0.106 28.759 28.738 0.213 0.000 0.963 105 Q HN 0.333 nan 8.270 nan 0.000 0.472 106 M N 0.980 120.549 119.600 -0.051 0.000 2.082 106 M HA -0.118 4.362 4.480 -0.000 0.000 0.258 106 M C -1.173 175.010 176.300 -0.195 0.000 1.069 106 M CA 1.701 56.902 55.300 -0.166 0.000 1.102 106 M CB -0.899 31.550 32.600 -0.252 0.000 1.336 106 M HN -0.025 nan 8.290 nan 0.000 0.404 107 P HA -0.127 nan 4.420 nan 0.000 0.216 107 P C 1.581 178.780 177.300 -0.168 0.000 1.150 107 P CA 1.450 64.314 63.100 -0.394 0.000 0.843 107 P CB -0.148 30.975 31.700 -0.962 0.000 0.787 108 I N -1.586 118.949 120.570 -0.058 0.000 2.233 108 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 108 I C 2.178 178.290 176.117 -0.008 0.000 1.093 108 I CA 1.187 62.484 61.300 -0.005 0.000 1.380 108 I CB -0.480 37.542 38.000 0.036 0.000 1.067 108 I HN -0.160 nan 8.210 nan 0.000 0.413 109 I N 1.054 121.622 120.570 -0.002 0.000 2.208 109 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 109 I C 2.445 178.541 176.117 -0.035 0.000 1.097 109 I CA 1.807 63.103 61.300 -0.007 0.000 1.363 109 I CB -0.413 37.582 38.000 -0.009 0.000 1.051 109 I HN 0.271 nan 8.210 nan 0.000 0.413 110 I N -1.262 119.265 120.570 -0.073 0.000 2.500 110 I HA 0.093 4.263 4.170 -0.000 0.000 0.252 110 I C 1.586 177.669 176.117 -0.056 0.000 1.142 110 I CA 1.095 62.352 61.300 -0.070 0.000 1.451 110 I CB -0.172 37.769 38.000 -0.099 0.000 1.093 110 I HN 0.054 nan 8.210 nan 0.000 0.430 111 A N 1.033 123.818 122.820 -0.060 0.000 2.663 111 A HA 0.743 5.063 4.320 -0.000 0.000 0.273 111 A C 0.307 177.871 177.584 -0.033 0.000 0.932 111 A CA -0.003 52.005 52.037 -0.047 0.000 1.055 111 A CB -0.397 18.566 19.000 -0.060 0.000 1.206 111 A HN 0.448 nan 8.150 nan 0.000 0.485 112 G N 0.415 109.201 108.800 -0.023 0.000 2.620 112 G HA2 0.485 4.445 3.960 -0.000 0.000 0.301 112 G HA3 0.485 4.445 3.960 -0.000 0.000 0.301 112 G C -0.670 174.227 174.900 -0.005 0.000 1.347 112 G CA -0.687 44.404 45.100 -0.014 0.000 0.971 112 G HN 0.490 nan 8.290 nan 0.000 0.488 113 N N 0.047 118.747 118.700 -0.001 0.000 2.445 113 N HA 0.184 4.924 4.740 -0.000 0.000 0.264 113 N C 0.364 175.876 175.510 0.004 0.000 1.227 113 N CA -0.263 52.788 53.050 0.002 0.000 0.963 113 N CB 1.077 39.566 38.487 0.003 0.000 1.188 113 N HN 0.357 nan 8.380 nan 0.000 0.491 114 D N -0.748 119.653 120.400 0.002 0.000 2.133 114 D HA -0.284 4.356 4.640 -0.000 0.000 0.195 114 D C 1.695 177.993 176.300 -0.002 0.000 0.997 114 D CA 1.964 55.965 54.000 0.001 0.000 0.840 114 D CB -0.159 40.641 40.800 -0.000 0.000 0.947 114 D HN 0.815 nan 8.370 nan 0.000 0.452 115 Q N 1.097 120.896 119.800 -0.003 0.000 2.096 115 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 115 Q C 1.802 177.795 176.000 -0.013 0.000 0.982 115 Q CA 1.757 57.553 55.803 -0.011 0.000 0.850 115 Q CB -0.496 28.239 28.738 -0.006 0.000 0.901 115 Q HN 0.408 nan 8.270 nan 0.000 0.422 116 Q N 0.206 120.016 119.800 0.016 0.000 2.016 116 Q HA -0.105 4.234 4.340 -0.000 0.000 0.200 116 Q C 2.131 178.157 176.000 0.043 0.000 0.978 116 Q CA 1.702 57.541 55.803 0.059 0.000 0.833 116 Q CB -0.142 28.624 28.738 0.047 0.000 0.895 116 Q HN 0.475 nan 8.270 nan 0.000 0.427 117 K N 0.789 121.202 120.400 0.021 0.000 2.057 117 K HA -0.111 4.208 4.320 -0.000 0.000 0.207 117 K C 1.886 178.497 176.600 0.018 0.000 1.049 117 K CA 0.896 57.200 56.287 0.027 0.000 0.931 117 K CB -0.145 32.371 32.500 0.026 0.000 0.714 117 K HN 0.096 nan 8.250 nan 0.000 0.440 118 K N 1.499 121.895 120.400 -0.007 0.000 2.155 118 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 118 K C 2.058 178.617 176.600 -0.069 0.000 1.052 118 K CA 0.889 57.163 56.287 -0.021 0.000 0.948 118 K CB -0.092 32.392 32.500 -0.026 0.000 0.728 118 K HN 0.203 nan 8.250 nan 0.000 0.448 119 K N 0.077 120.392 120.400 -0.140 0.000 2.031 119 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 119 K C 1.616 177.944 176.600 -0.454 0.000 1.049 119 K CA 1.216 57.300 56.287 -0.338 0.000 0.939 119 K CB 0.065 32.257 32.500 -0.512 0.000 0.717 119 K HN 0.103 nan 8.250 nan 0.000 0.438 120 Y N -0.619 119.569 120.300 -0.186 0.000 2.507 120 Y HA 0.033 4.583 4.550 -0.000 0.000 0.263 120 Y C 1.590 177.481 175.900 -0.014 0.000 1.093 120 Y CA -0.280 57.616 58.100 -0.340 0.000 1.285 120 Y CB 0.574 38.498 38.460 -0.893 0.000 1.115 120 Y HN -0.009 nan 8.280 nan 0.000 0.533 121 L N -0.917 120.403 121.223 0.163 0.000 2.249 121 L HA 0.139 4.479 4.340 -0.000 0.000 0.207 121 L C 2.456 179.434 176.870 0.180 0.000 1.090 121 L CA 1.307 56.286 54.840 0.231 0.000 0.802 121 L CB -1.305 40.857 42.059 0.171 0.000 0.947 121 L HN 0.198 nan 8.230 nan 0.000 0.453 122 G N 0.228 109.087 108.800 0.098 0.000 2.440 122 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 122 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 122 G C 1.683 176.647 174.900 0.107 0.000 1.154 122 G CA 0.652 45.797 45.100 0.075 0.000 0.767 122 G HN 0.372 nan 8.290 nan 0.000 0.552 123 R N -0.220 120.346 120.500 0.109 0.000 2.117 123 R HA -0.076 4.264 4.340 -0.000 0.000 0.243 123 R C 2.411 178.817 176.300 0.177 0.000 1.143 123 R CA 1.512 57.689 56.100 0.128 0.000 0.968 123 R CB -0.546 29.848 30.300 0.157 0.000 0.863 123 R HN 0.290 nan 8.270 nan 0.000 0.444 124 M N 0.481 120.225 119.600 0.241 0.000 2.296 124 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 124 M C 1.861 178.384 176.300 0.372 0.000 1.064 124 M CA 1.358 56.820 55.300 0.270 0.000 1.109 124 M CB -1.051 31.722 32.600 0.288 0.000 1.396 124 M HN 0.053 nan 8.290 nan 0.000 0.430 125 T N 0.965 115.694 114.554 0.291 0.000 2.951 125 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 125 T C 2.141 177.078 174.700 0.396 0.000 1.073 125 T CA 1.835 64.101 62.100 0.276 0.000 1.134 125 T CB 0.030 68.984 68.868 0.144 0.000 0.884 125 T HN 0.673 nan 8.240 nan 0.000 0.479 126 E N 1.182 121.575 120.200 0.322 0.000 2.094 126 E HA 0.139 4.489 4.350 -0.000 0.000 0.193 126 E C 1.198 177.919 176.600 0.201 0.000 0.950 126 E CA 0.226 56.781 56.400 0.257 0.000 0.842 126 E CB -0.176 29.602 29.700 0.129 0.000 0.816 126 E HN 0.476 nan 8.360 nan 0.000 0.465 127 E N 0.441 120.643 120.200 0.003 0.000 2.254 127 E HA 0.437 4.787 4.350 -0.000 0.000 0.261 127 E C -2.560 173.611 176.600 -0.714 0.000 1.051 127 E CA -1.357 54.861 56.400 -0.302 0.000 0.902 127 E CB 1.514 31.101 29.700 -0.188 0.000 1.168 127 E HN 0.456 nan 8.360 nan 0.000 0.423 128 P HA 0.294 nan 4.420 nan 0.000 0.226 128 P C -0.848 176.167 177.300 -0.474 0.000 1.832 128 P CA -0.020 62.341 63.100 -1.233 0.000 1.092 128 P CB -0.371 30.507 31.700 -1.369 0.000 1.873 129 L N 2.230 123.299 121.223 -0.256 0.000 2.387 129 L HA 0.599 4.938 4.340 -0.000 0.000 0.266 129 L C 0.873 177.684 176.870 -0.098 0.000 1.059 129 L CA -1.082 53.680 54.840 -0.129 0.000 0.801 129 L CB 0.547 42.571 42.059 -0.059 0.000 1.223 129 L HN 0.053 nan 8.230 nan 0.000 0.456 130 M N 1.329 120.865 119.600 -0.106 0.000 2.537 130 M HA 0.541 5.021 4.480 -0.000 0.000 0.324 130 M C -0.319 175.806 176.300 -0.292 0.000 1.187 130 M CA -0.637 54.592 55.300 -0.119 0.000 0.993 130 M CB 1.329 33.919 32.600 -0.017 0.000 1.666 130 M HN 0.884 nan 8.290 nan 0.000 0.461 131 C N -0.534 118.551 119.300 -0.358 0.000 3.213 131 C HA 1.080 5.539 4.460 -0.000 0.000 0.319 131 C C -0.526 174.314 174.990 -0.250 0.000 1.386 131 C CA -0.881 57.778 59.018 -0.598 0.000 1.494 131 C CB 1.415 28.357 27.740 -1.331 0.000 1.905 131 C HN 1.114 nan 8.230 nan 0.000 0.456 132 A N -0.194 122.569 122.820 -0.096 0.000 2.572 132 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 132 A C -1.769 175.993 177.584 0.297 0.000 1.072 132 A CA -0.396 51.736 52.037 0.159 0.000 0.691 132 A CB 1.026 20.185 19.000 0.265 0.000 1.291 132 A HN 1.520 nan 8.150 nan 0.000 0.404 133 Y N 1.270 121.666 120.300 0.161 0.000 2.404 133 Y HA 0.461 5.011 4.550 -0.000 0.000 0.344 133 Y C -0.428 175.576 175.900 0.173 0.000 0.970 133 Y CA -0.404 57.835 58.100 0.232 0.000 1.180 133 Y CB 0.686 39.240 38.460 0.157 0.000 1.138 133 Y HN 0.639 nan 8.280 nan 0.000 0.510 134 C N 7.271 126.502 119.300 -0.116 0.000 2.168 134 C HA 0.377 4.837 4.460 -0.000 0.000 0.333 134 C C 0.939 175.752 174.990 -0.295 0.000 1.106 134 C CA -0.386 58.517 59.018 -0.190 0.000 1.574 134 C CB -1.064 26.502 27.740 -0.289 0.000 2.055 134 C HN 0.962 nan 8.230 nan 0.000 0.473 135 V N 1.813 121.653 119.914 -0.124 0.000 3.141 135 V HA 0.059 4.179 4.120 -0.000 0.000 0.225 135 V C 1.236 177.343 176.094 0.021 0.000 1.352 135 V CA 0.590 62.833 62.300 -0.094 0.000 1.316 135 V CB -0.350 31.457 31.823 -0.026 0.000 1.126 135 V HN 0.676 nan 8.190 nan 0.000 0.493 136 T N 2.283 116.909 114.554 0.121 0.000 2.903 136 T HA 0.312 4.662 4.350 -0.000 0.000 0.314 136 T C -0.228 174.512 174.700 0.066 0.000 1.078 136 T CA 0.408 62.591 62.100 0.139 0.000 1.114 136 T CB 0.476 69.496 68.868 0.255 0.000 0.987 136 T HN 0.473 nan 8.240 nan 0.000 0.548 137 E N 1.595 121.835 120.200 0.067 0.000 2.416 137 E HA 0.250 4.600 4.350 -0.000 0.000 0.273 137 E C -2.139 174.477 176.600 0.026 0.000 0.935 137 E CA -2.330 54.080 56.400 0.016 0.000 0.784 137 E CB 1.391 31.098 29.700 0.012 0.000 1.301 137 E HN 0.170 nan 8.360 nan 0.000 0.454 138 P HA -0.191 nan 4.420 nan 0.000 0.220 138 P C 0.705 178.037 177.300 0.052 0.000 1.142 138 P CA 1.540 64.629 63.100 -0.018 0.000 0.801 138 P CB 0.169 31.844 31.700 -0.042 0.000 0.764 139 G N -3.559 105.276 108.800 0.058 0.000 3.314 139 G HA2 0.490 4.449 3.960 -0.000 0.000 0.230 139 G HA3 0.490 4.449 3.960 -0.000 0.000 0.230 139 G C -0.100 174.844 174.900 0.072 0.000 1.058 139 G CA 0.611 45.749 45.100 0.064 0.000 0.926 139 G HN 0.410 nan 8.290 nan 0.000 0.564 140 A N -0.708 122.159 122.820 0.079 0.000 2.486 140 A HA 0.812 5.132 4.320 -0.000 0.000 0.300 140 A C 0.409 178.056 177.584 0.104 0.000 1.048 140 A CA 0.317 52.404 52.037 0.085 0.000 0.696 140 A CB 1.492 20.536 19.000 0.073 0.000 1.278 140 A HN 0.759 nan 8.150 nan 0.000 0.405 141 G N -0.160 108.705 108.800 0.108 0.000 2.522 141 G HA2 0.253 4.213 3.960 -0.000 0.000 0.177 141 G HA3 0.253 4.213 3.960 -0.000 0.000 0.177 141 G C 1.375 176.328 174.900 0.088 0.000 1.298 141 G CA 1.096 46.270 45.100 0.123 0.000 0.670 141 G HN 1.251 nan 8.290 nan 0.000 0.664 142 S N 0.455 116.193 115.700 0.064 0.000 2.423 142 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 142 S C 0.942 175.577 174.600 0.059 0.000 1.014 142 S CA 1.243 59.467 58.200 0.041 0.000 0.965 142 S CB -0.007 63.207 63.200 0.023 0.000 0.785 142 S HN 0.245 nan 8.310 nan 0.000 0.495 143 D N 1.752 122.195 120.400 0.073 0.000 2.767 143 D HA 0.324 4.964 4.640 -0.000 0.000 0.241 143 D C 1.114 177.473 176.300 0.099 0.000 1.187 143 D CA -0.351 53.703 54.000 0.090 0.000 0.999 143 D CB 0.071 40.920 40.800 0.081 0.000 1.042 143 D HN 0.015 nan 8.370 nan 0.000 0.510 144 V N 2.265 122.246 119.914 0.112 0.000 2.277 144 V HA -0.370 3.750 4.120 -0.000 0.000 0.255 144 V C 2.533 178.651 176.094 0.039 0.000 1.074 144 V CA 2.314 64.666 62.300 0.086 0.000 1.058 144 V CB -0.857 31.031 31.823 0.107 0.000 0.656 144 V HN 0.598 nan 8.190 nan 0.000 0.449 145 A N 0.080 123.006 122.820 0.178 0.000 2.131 145 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 145 A C 2.078 179.775 177.584 0.189 0.000 1.158 145 A CA 1.622 53.740 52.037 0.136 0.000 0.665 145 A CB -0.740 18.330 19.000 0.117 0.000 0.795 145 A HN 0.642 nan 8.150 nan 0.000 0.460 146 G N -1.047 107.828 108.800 0.125 0.000 3.284 146 G HA2 0.374 4.334 3.960 -0.000 0.000 0.236 146 G HA3 0.374 4.334 3.960 -0.000 0.000 0.236 146 G C 0.326 175.298 174.900 0.121 0.000 1.158 146 G CA -0.396 44.782 45.100 0.130 0.000 0.774 146 G HN 0.403 nan 8.290 nan 0.000 0.545 147 I N 0.760 121.383 120.570 0.087 0.000 2.752 147 I HA 0.026 4.196 4.170 -0.000 0.000 0.289 147 I C 1.033 177.273 176.117 0.206 0.000 1.197 147 I CA 0.716 62.061 61.300 0.075 0.000 1.432 147 I CB 0.996 38.944 38.000 -0.087 0.000 1.359 147 I HN -0.008 nan 8.210 nan 0.000 0.571 148 K N 3.764 124.239 120.400 0.125 0.000 2.506 148 K HA 0.169 4.489 4.320 -0.000 0.000 0.204 148 K C -0.201 176.438 176.600 0.065 0.000 1.045 148 K CA -0.046 56.305 56.287 0.107 0.000 1.074 148 K CB 0.651 33.193 32.500 0.071 0.000 0.842 148 K HN 0.525 nan 8.250 nan 0.000 0.514 149 T N 3.569 118.152 114.554 0.047 0.000 2.739 149 T HA 0.070 4.420 4.350 -0.000 0.000 0.298 149 T C -0.129 174.569 174.700 -0.003 0.000 0.929 149 T CA -0.181 61.908 62.100 -0.019 0.000 1.014 149 T CB 0.207 69.008 68.868 -0.113 0.000 0.914 149 T HN 0.209 nan 8.240 nan 0.000 0.509 150 K N 1.952 122.351 120.400 -0.003 0.000 2.270 150 K HA 0.658 4.978 4.320 -0.000 0.000 0.276 150 K C -0.573 176.017 176.600 -0.017 0.000 1.023 150 K CA -0.785 55.508 56.287 0.009 0.000 0.955 150 K CB 0.928 33.435 32.500 0.012 0.000 0.975 150 K HN 0.412 nan 8.250 nan 0.000 0.471 151 A N 3.399 126.236 122.820 0.028 0.000 2.319 151 A HA 0.334 4.654 4.320 -0.000 0.000 0.310 151 A C -1.239 176.436 177.584 0.151 0.000 1.152 151 A CA -0.911 51.153 52.037 0.045 0.000 0.783 151 A CB 0.648 19.704 19.000 0.092 0.000 1.184 151 A HN 0.854 nan 8.150 nan 0.000 0.474 152 E N 1.201 121.473 120.200 0.120 0.000 2.238 152 E HA 0.526 4.876 4.350 -0.000 0.000 0.267 152 E C -0.588 176.008 176.600 -0.006 0.000 0.887 152 E CA -1.093 55.361 56.400 0.090 0.000 0.769 152 E CB 1.712 31.427 29.700 0.025 0.000 1.187 152 E HN 0.215 nan 8.360 nan 0.000 0.416 153 K N 1.621 121.943 120.400 -0.131 0.000 2.350 153 K HA 0.166 4.485 4.320 -0.000 0.000 0.279 153 K C -0.521 175.940 176.600 -0.232 0.000 1.027 153 K CA -0.502 55.538 56.287 -0.411 0.000 0.969 153 K CB 0.513 32.766 32.500 -0.411 0.000 0.954 153 K HN 0.408 nan 8.250 nan 0.000 0.474 154 K N 2.478 122.732 120.400 -0.244 0.000 3.084 154 K HA 0.266 4.586 4.320 -0.000 0.000 0.172 154 K C 0.977 177.499 176.600 -0.131 0.000 1.078 154 K CA 0.227 56.431 56.287 -0.137 0.000 0.875 154 K CB 0.448 32.897 32.500 -0.086 0.000 1.064 154 K HN 0.916 nan 8.250 nan 0.000 0.597 155 G N 2.337 111.051 108.800 -0.143 0.000 2.723 155 G HA2 -0.529 3.431 3.960 -0.000 0.000 0.356 155 G HA3 -0.529 3.431 3.960 -0.000 0.000 0.356 155 G C 1.079 175.912 174.900 -0.111 0.000 1.164 155 G CA 1.294 46.326 45.100 -0.112 0.000 0.939 155 G HN 0.457 nan 8.290 nan 0.000 0.570 156 D N 1.343 121.709 120.400 -0.058 0.000 6.235 156 D HA -0.199 4.441 4.640 -0.000 0.000 0.293 156 D C 1.395 177.688 176.300 -0.013 0.000 1.817 156 D CA 2.672 56.657 54.000 -0.026 0.000 0.850 156 D CB -0.096 40.692 40.800 -0.019 0.000 0.721 156 D HN 1.015 nan 8.370 nan 0.000 0.899 157 E N -3.292 116.871 120.200 -0.062 0.000 2.435 157 E HA 0.435 4.785 4.350 -0.000 0.000 0.272 157 E C -1.147 175.384 176.600 -0.115 0.000 1.031 157 E CA -0.925 55.487 56.400 0.020 0.000 0.872 157 E CB 0.823 30.558 29.700 0.059 0.000 1.588 157 E HN 0.080 nan 8.360 nan 0.000 0.460 158 Y N -0.189 120.120 120.300 0.015 0.000 2.524 158 Y HA 0.495 5.045 4.550 -0.000 0.000 0.344 158 Y C -0.317 175.520 175.900 -0.105 0.000 1.012 158 Y CA -1.123 56.958 58.100 -0.031 0.000 1.068 158 Y CB 1.825 40.264 38.460 -0.035 0.000 1.249 158 Y HN 0.348 nan 8.280 nan 0.000 0.468 159 I N 4.628 125.231 120.570 0.056 0.000 2.382 159 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 159 I C -0.845 175.243 176.117 -0.048 0.000 1.007 159 I CA -0.741 60.554 61.300 -0.008 0.000 1.142 159 I CB 0.991 38.988 38.000 -0.005 0.000 1.289 159 I HN 0.437 nan 8.210 nan 0.000 0.453 160 I N 6.347 126.859 120.570 -0.096 0.000 2.342 160 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 160 I C 0.194 176.287 176.117 -0.040 0.000 1.010 160 I CA -0.196 61.012 61.300 -0.153 0.000 1.308 160 I CB 0.665 38.499 38.000 -0.276 0.000 1.400 160 I HN 0.469 nan 8.210 nan 0.000 0.488 161 N N 4.291 122.963 118.700 -0.046 0.000 2.310 161 N HA 0.721 5.461 4.740 -0.000 0.000 0.292 161 N C -0.014 175.496 175.510 0.000 0.000 1.049 161 N CA -0.135 52.922 53.050 0.010 0.000 0.849 161 N CB 3.004 41.496 38.487 0.009 0.000 1.532 161 N HN 0.929 nan 8.380 nan 0.000 0.479 162 G N 0.983 109.813 108.800 0.050 0.000 2.278 162 G HA2 0.025 3.985 3.960 -0.000 0.000 0.265 162 G HA3 0.025 3.985 3.960 -0.000 0.000 0.265 162 G C -1.966 172.985 174.900 0.086 0.000 1.329 162 G CA -0.737 44.383 45.100 0.033 0.000 1.017 162 G HN 0.545 nan 8.290 nan 0.000 0.472 163 Q N -0.150 119.676 119.800 0.044 0.000 2.268 163 Q HA 0.602 4.942 4.340 -0.000 0.000 0.266 163 Q C -1.252 174.754 176.000 0.010 0.000 1.006 163 Q CA -0.916 54.917 55.803 0.050 0.000 0.824 163 Q CB 1.464 30.204 28.738 0.003 0.000 1.306 163 Q HN 0.361 nan 8.270 nan 0.000 0.424 164 K N 2.889 123.305 120.400 0.026 0.000 2.138 164 K HA 0.538 4.858 4.320 -0.000 0.000 0.263 164 K C -0.767 175.773 176.600 -0.101 0.000 0.965 164 K CA -0.606 55.664 56.287 -0.028 0.000 0.868 164 K CB 1.487 33.984 32.500 -0.005 0.000 1.083 164 K HN 0.730 nan 8.250 nan 0.000 0.443 165 M N 0.748 120.270 119.600 -0.130 0.000 2.662 165 M HA 0.355 4.835 4.480 -0.000 0.000 0.310 165 M C -1.244 174.961 176.300 -0.159 0.000 1.204 165 M CA -0.065 55.030 55.300 -0.342 0.000 0.891 165 M CB 1.080 33.297 32.600 -0.637 0.000 1.732 165 M HN 0.600 nan 8.290 nan 0.000 0.467 166 W N 3.891 125.209 121.300 0.031 0.000 5.721 166 W HA -0.163 4.497 4.660 -0.000 0.000 0.406 166 W C -0.908 175.652 176.519 0.069 0.000 1.576 166 W CA -0.379 56.994 57.345 0.046 0.000 0.977 166 W CB -1.821 27.671 29.460 0.054 0.000 2.771 166 W HN 0.325 nan 8.180 nan 0.000 1.435 167 I N 1.210 121.888 120.570 0.180 0.000 2.291 167 I HA 0.121 4.291 4.170 -0.000 0.000 0.290 167 I C 1.230 177.445 176.117 0.164 0.000 1.050 167 I CA -0.268 61.130 61.300 0.163 0.000 1.245 167 I CB 0.062 38.105 38.000 0.072 0.000 1.405 167 I HN -0.107 nan 8.210 nan 0.000 0.478 168 T N 7.113 121.783 114.554 0.194 0.000 2.908 168 T HA -0.020 4.330 4.350 -0.000 0.000 0.301 168 T C 1.058 175.841 174.700 0.137 0.000 1.019 168 T CA 0.452 62.654 62.100 0.170 0.000 1.152 168 T CB -0.051 68.922 68.868 0.176 0.000 0.966 168 T HN 0.607 nan 8.240 nan 0.000 0.540 169 N N 1.054 119.814 118.700 0.100 0.000 2.863 169 N HA -0.163 4.577 4.740 -0.000 0.000 0.245 169 N C 1.334 176.866 175.510 0.036 0.000 1.001 169 N CA 1.199 54.275 53.050 0.042 0.000 0.901 169 N CB -1.403 37.130 38.487 0.077 0.000 1.124 169 N HN 0.860 nan 8.380 nan 0.000 0.582 170 G N -0.464 108.383 108.800 0.077 0.000 2.564 170 G HA2 0.066 4.026 3.960 -0.000 0.000 0.216 170 G HA3 0.066 4.026 3.960 -0.000 0.000 0.216 170 G C 1.196 176.152 174.900 0.093 0.000 1.124 170 G CA 1.213 46.392 45.100 0.131 0.000 0.764 170 G HN 0.552 nan 8.290 nan 0.000 0.550 171 G N -1.039 107.746 108.800 -0.026 0.000 3.443 171 G HA2 0.306 4.266 3.960 -0.000 0.000 0.252 171 G HA3 0.306 4.266 3.960 -0.000 0.000 0.252 171 G C 0.773 175.592 174.900 -0.135 0.000 1.015 171 G CA -0.219 44.841 45.100 -0.067 0.000 0.891 171 G HN 0.273 nan 8.290 nan 0.000 0.510 172 K N 0.805 121.099 120.400 -0.175 0.000 2.564 172 K HA 0.561 4.881 4.320 -0.000 0.000 0.205 172 K C 0.369 176.893 176.600 -0.128 0.000 1.053 172 K CA -0.068 56.102 56.287 -0.194 0.000 1.072 172 K CB 1.342 33.609 32.500 -0.388 0.000 0.822 172 K HN 0.222 nan 8.250 nan 0.000 0.497 173 A N 0.243 122.976 122.820 -0.144 0.000 2.312 173 A HA 0.326 4.646 4.320 -0.000 0.000 0.326 173 A C 0.646 178.058 177.584 -0.287 0.000 1.172 173 A CA -0.533 51.358 52.037 -0.243 0.000 0.821 173 A CB 0.800 19.613 19.000 -0.312 0.000 1.166 173 A HN 0.192 nan 8.150 nan 0.000 0.493 174 N N 1.292 119.835 118.700 -0.261 0.000 2.109 174 N HA -0.002 4.737 4.740 -0.000 0.000 0.188 174 N C 0.472 175.945 175.510 -0.062 0.000 1.034 174 N CA 1.909 54.899 53.050 -0.100 0.000 0.846 174 N CB -0.047 38.473 38.487 0.054 0.000 1.010 174 N HN 0.776 nan 8.380 nan 0.000 0.425 175 W N -1.753 119.417 121.300 -0.217 0.000 3.060 175 W HA 0.454 5.114 4.660 -0.000 0.000 0.346 175 W C -1.303 175.016 176.519 -0.333 0.000 1.194 175 W CA -0.893 56.268 57.345 -0.305 0.000 1.105 175 W CB 0.051 29.442 29.460 -0.116 0.000 1.487 175 W HN -0.239 nan 8.180 nan 0.000 0.592 176 Y N 0.847 121.389 120.300 0.405 0.000 2.462 176 Y HA 0.413 4.963 4.550 -0.000 0.000 0.346 176 Y C -0.662 175.475 175.900 0.395 0.000 0.976 176 Y CA -1.310 56.941 58.100 0.250 0.000 1.044 176 Y CB 2.690 41.251 38.460 0.168 0.000 1.230 176 Y HN 0.244 nan 8.280 nan 0.000 0.455 177 F N 5.759 125.926 119.950 0.361 0.000 2.424 177 F HA 0.521 5.048 4.527 -0.000 0.000 0.356 177 F C -1.294 174.501 175.800 -0.007 0.000 1.110 177 F CA -0.674 57.431 58.000 0.176 0.000 1.161 177 F CB 0.407 39.474 39.000 0.112 0.000 1.115 177 F HN 0.328 nan 8.300 nan 0.000 0.507 178 L N 8.732 129.422 121.223 -0.888 0.000 2.386 178 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 178 L C -2.123 174.235 176.870 -0.854 0.000 0.993 178 L CA -0.818 53.589 54.840 -0.721 0.000 0.819 178 L CB 1.903 43.719 42.059 -0.405 0.000 1.294 178 L HN 0.671 nan 8.230 nan 0.000 0.414 179 L N 4.731 125.562 121.223 -0.653 0.000 2.333 179 L HA 0.789 5.129 4.340 -0.000 0.000 0.280 179 L C -0.848 175.941 176.870 -0.134 0.000 1.004 179 L CA -0.156 54.465 54.840 -0.365 0.000 0.820 179 L CB 1.610 43.488 42.059 -0.301 0.000 1.247 179 L HN 0.859 nan 8.230 nan 0.000 0.416 180 A N 5.095 127.966 122.820 0.085 0.000 2.475 180 A HA 0.567 4.887 4.320 -0.000 0.000 0.301 180 A C -0.625 177.199 177.584 0.401 0.000 1.059 180 A CA -0.842 51.293 52.037 0.163 0.000 0.710 180 A CB 1.421 20.437 19.000 0.026 0.000 1.288 180 A HN 0.802 nan 8.150 nan 0.000 0.408 181 R N 1.523 122.251 120.500 0.380 0.000 2.457 181 R HA 0.181 4.521 4.340 -0.000 0.000 0.335 181 R C 0.469 176.788 176.300 0.032 0.000 1.003 181 R CA 0.506 56.683 56.100 0.128 0.000 1.003 181 R CB 0.109 30.463 30.300 0.090 0.000 0.950 181 R HN 0.694 nan 8.270 nan 0.000 0.428 182 S N 2.247 117.931 115.700 -0.028 0.000 2.496 182 S HA -0.039 4.431 4.470 -0.000 0.000 0.224 182 S C -0.077 174.512 174.600 -0.019 0.000 0.996 182 S CA 0.513 58.733 58.200 0.033 0.000 0.927 182 S CB 0.157 63.370 63.200 0.022 0.000 0.774 182 S HN 0.641 nan 8.310 nan 0.000 0.524 183 D N -0.102 120.225 120.400 -0.121 0.000 2.542 183 D HA 0.330 4.969 4.640 -0.000 0.000 0.252 183 D C -2.258 173.975 176.300 -0.111 0.000 1.222 183 D CA -1.956 51.977 54.000 -0.111 0.000 0.895 183 D CB 1.913 42.622 40.800 -0.152 0.000 1.207 183 D HN -0.089 nan 8.370 nan 0.000 0.558 184 P HA -0.019 nan 4.420 nan 0.000 0.219 184 P C -0.014 177.256 177.300 -0.050 0.000 1.150 184 P CA 0.296 63.368 63.100 -0.047 0.000 0.814 184 P CB 0.160 31.844 31.700 -0.026 0.000 0.787 185 D N 0.457 120.825 120.400 -0.053 0.000 2.479 185 D HA -0.046 4.594 4.640 -0.000 0.000 0.257 185 D C -1.539 174.728 176.300 -0.055 0.000 1.230 185 D CA -1.208 52.764 54.000 -0.047 0.000 0.912 185 D CB 0.377 41.150 40.800 -0.045 0.000 1.130 185 D HN 0.089 nan 8.370 nan 0.000 0.515 186 P HA -0.090 nan 4.420 nan 0.000 0.223 186 P C 0.573 177.855 177.300 -0.030 0.000 1.151 186 P CA 0.724 63.806 63.100 -0.031 0.000 0.787 186 P CB 0.185 31.878 31.700 -0.012 0.000 0.788 187 K N -0.336 120.046 120.400 -0.029 0.000 2.589 187 K HA 0.200 4.520 4.320 -0.000 0.000 0.192 187 K C 0.818 177.393 176.600 -0.041 0.000 1.029 187 K CA -0.108 56.162 56.287 -0.028 0.000 1.031 187 K CB -1.033 31.455 32.500 -0.020 0.000 0.821 187 K HN 0.061 nan 8.250 nan 0.000 0.502 188 A N 3.650 126.432 122.820 -0.062 0.000 2.363 188 A HA 0.381 4.701 4.320 -0.000 0.000 0.270 188 A C -1.995 175.533 177.584 -0.092 0.000 1.121 188 A CA -1.277 50.711 52.037 -0.082 0.000 0.800 188 A CB -0.115 18.817 19.000 -0.113 0.000 1.052 188 A HN 0.040 nan 8.150 nan 0.000 0.493 189 P HA 0.236 nan 4.420 nan 0.000 0.271 189 P C 0.673 177.894 177.300 -0.131 0.000 1.218 189 P CA 0.282 63.332 63.100 -0.084 0.000 0.780 189 P CB 1.185 32.851 31.700 -0.057 0.000 0.901 190 A N 3.325 126.042 122.820 -0.172 0.000 1.930 190 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 190 A C 1.959 179.360 177.584 -0.304 0.000 1.175 190 A CA 1.701 53.570 52.037 -0.279 0.000 0.627 190 A CB -1.444 17.241 19.000 -0.524 0.000 0.815 190 A HN 0.627 nan 8.150 nan 0.000 0.443 191 N N -1.072 117.507 118.700 -0.203 0.000 2.585 191 N HA -0.022 4.717 4.740 -0.000 0.000 0.188 191 N C 1.402 176.946 175.510 0.056 0.000 1.102 191 N CA 1.437 54.492 53.050 0.008 0.000 0.920 191 N CB -0.076 38.445 38.487 0.057 0.000 0.963 191 N HN 0.590 nan 8.380 nan 0.000 0.447 192 K N -0.981 119.410 120.400 -0.014 0.000 2.491 192 K HA 0.475 4.795 4.320 -0.000 0.000 0.211 192 K C 1.517 178.070 176.600 -0.077 0.000 1.210 192 K CA 0.432 56.710 56.287 -0.015 0.000 1.003 192 K CB -0.311 32.175 32.500 -0.023 0.000 1.009 192 K HN 0.172 nan 8.250 nan 0.000 0.577 193 A N 0.116 122.819 122.820 -0.195 0.000 2.121 193 A HA 0.396 4.715 4.320 -0.000 0.000 0.218 193 A C 0.308 177.485 177.584 -0.679 0.000 1.154 193 A CA 0.651 52.391 52.037 -0.494 0.000 0.679 193 A CB -0.381 18.155 19.000 -0.773 0.000 0.795 193 A HN 0.409 nan 8.150 nan 0.000 0.458 194 F N -1.381 118.597 119.950 0.046 0.000 2.532 194 F HA 0.502 5.029 4.527 -0.000 0.000 0.321 194 F C 0.248 176.049 175.800 0.001 0.000 1.089 194 F CA -0.542 57.496 58.000 0.063 0.000 0.926 194 F CB 2.070 41.161 39.000 0.152 0.000 1.168 194 F HN -0.290 nan 8.300 nan 0.000 0.459 195 T N 1.367 115.981 114.554 0.100 0.000 2.823 195 T HA 0.633 4.982 4.350 -0.000 0.000 0.279 195 T C -0.000 174.504 174.700 -0.326 0.000 0.998 195 T CA -0.791 61.179 62.100 -0.216 0.000 0.994 195 T CB 1.546 70.143 68.868 -0.452 0.000 0.960 195 T HN 0.829 nan 8.240 nan 0.000 0.448 196 G N 1.827 110.379 108.800 -0.413 0.000 2.372 196 G HA2 0.664 4.624 3.960 -0.000 0.000 0.323 196 G HA3 0.664 4.624 3.960 -0.000 0.000 0.323 196 G C -1.204 173.344 174.900 -0.585 0.000 1.152 196 G CA -0.446 44.430 45.100 -0.374 0.000 0.906 196 G HN 0.515 nan 8.290 nan 0.000 0.460 197 F N 0.397 120.132 119.950 -0.358 0.000 2.556 197 F HA 0.545 5.072 4.527 -0.000 0.000 0.327 197 F C 0.525 176.221 175.800 -0.174 0.000 1.059 197 F CA -0.938 56.916 58.000 -0.243 0.000 0.953 197 F CB 1.980 40.823 39.000 -0.261 0.000 1.227 197 F HN 0.194 nan 8.300 nan 0.000 0.478 198 I N 2.192 122.788 120.570 0.044 0.000 2.396 198 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 198 I C -0.891 175.205 176.117 -0.035 0.000 0.999 198 I CA -0.644 60.590 61.300 -0.110 0.000 1.310 198 I CB 1.182 38.847 38.000 -0.557 0.000 1.404 198 I HN 0.169 nan 8.210 nan 0.000 0.496 199 V N 5.971 125.935 119.914 0.084 0.000 2.445 199 V HA 0.162 4.282 4.120 -0.000 0.000 0.283 199 V C -0.123 176.103 176.094 0.220 0.000 1.014 199 V CA -0.902 61.502 62.300 0.175 0.000 0.852 199 V CB 1.238 33.232 31.823 0.284 0.000 1.021 199 V HN 0.665 nan 8.190 nan 0.000 0.435 200 E N 2.847 123.143 120.200 0.161 0.000 2.529 200 E HA 0.084 4.433 4.350 -0.000 0.000 0.259 200 E C 1.109 177.770 176.600 0.102 0.000 0.966 200 E CA 0.492 56.995 56.400 0.170 0.000 0.937 200 E CB 1.481 31.287 29.700 0.178 0.000 0.923 200 E HN 0.760 nan 8.360 nan 0.000 0.468 201 A N 3.933 126.740 122.820 -0.021 0.000 2.067 201 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 201 A C 1.490 179.073 177.584 -0.003 0.000 1.156 201 A CA 1.125 53.108 52.037 -0.090 0.000 0.683 201 A CB -0.120 18.667 19.000 -0.354 0.000 0.808 201 A HN 0.634 nan 8.150 nan 0.000 0.455 202 D N -0.299 120.106 120.400 0.008 0.000 2.348 202 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 202 D C 0.368 176.680 176.300 0.020 0.000 0.970 202 D CA 0.798 54.804 54.000 0.010 0.000 0.889 202 D CB -1.435 39.374 40.800 0.014 0.000 0.912 202 D HN 0.157 nan 8.370 nan 0.000 0.524 203 T N 2.973 117.552 114.554 0.043 0.000 2.849 203 T HA 0.085 4.435 4.350 -0.000 0.000 0.289 203 T C -2.309 172.403 174.700 0.019 0.000 1.010 203 T CA -0.613 61.514 62.100 0.046 0.000 1.161 203 T CB 0.549 69.466 68.868 0.080 0.000 0.989 203 T HN 0.100 nan 8.240 nan 0.000 0.523 204 P HA 0.200 nan 4.420 nan 0.000 0.265 204 P C 1.101 178.398 177.300 -0.005 0.000 1.187 204 P CA 0.838 63.938 63.100 -0.001 0.000 0.766 204 P CB 0.281 31.983 31.700 0.004 0.000 0.820 205 G N 2.320 111.104 108.800 -0.027 0.000 2.254 205 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.225 205 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.225 205 G C 0.220 175.057 174.900 -0.105 0.000 1.003 205 G CA -0.387 44.690 45.100 -0.037 0.000 0.622 205 G HN 0.509 nan 8.290 nan 0.000 0.507 206 I N 1.970 122.446 120.570 -0.157 0.000 2.587 206 I HA 0.172 4.342 4.170 -0.000 0.000 0.284 206 I C 0.422 176.405 176.117 -0.223 0.000 1.134 206 I CA 0.650 61.759 61.300 -0.318 0.000 1.410 206 I CB 0.610 38.455 38.000 -0.259 0.000 1.392 206 I HN 0.213 nan 8.210 nan 0.000 0.545 207 Q N 7.140 126.789 119.800 -0.252 0.000 2.413 207 Q HA 0.479 4.819 4.340 -0.000 0.000 0.258 207 Q C -0.604 175.292 176.000 -0.172 0.000 1.037 207 Q CA -0.551 55.154 55.803 -0.164 0.000 0.764 207 Q CB 1.925 30.590 28.738 -0.121 0.000 1.217 207 Q HN 0.585 nan 8.270 nan 0.000 0.490 208 I N 1.499 121.989 120.570 -0.133 0.000 2.648 208 I HA 0.128 4.298 4.170 -0.000 0.000 0.284 208 I C 1.083 177.147 176.117 -0.088 0.000 1.153 208 I CA 0.121 61.359 61.300 -0.103 0.000 1.426 208 I CB 0.629 38.594 38.000 -0.058 0.000 1.381 208 I HN 0.556 nan 8.210 nan 0.000 0.571 209 G N 4.400 113.147 108.800 -0.089 0.000 2.535 209 G HA2 0.541 4.501 3.960 -0.000 0.000 0.303 209 G HA3 0.541 4.501 3.960 -0.000 0.000 0.303 209 G C -0.332 174.530 174.900 -0.063 0.000 1.237 209 G CA -0.858 44.193 45.100 -0.081 0.000 0.986 209 G HN 0.653 nan 8.290 nan 0.000 0.494 210 R N -0.231 120.236 120.500 -0.055 0.000 2.707 210 R HA 0.332 4.672 4.340 -0.000 0.000 0.270 210 R C 0.452 176.734 176.300 -0.031 0.000 1.083 210 R CA -0.725 55.352 56.100 -0.038 0.000 1.182 210 R CB 0.275 30.558 30.300 -0.030 0.000 1.084 210 R HN 0.482 nan 8.270 nan 0.000 0.528 211 K N 1.161 121.552 120.400 -0.016 0.000 2.448 211 K HA -0.051 4.268 4.320 -0.000 0.000 0.278 211 K C -0.556 176.058 176.600 0.023 0.000 1.009 211 K CA 0.100 56.389 56.287 0.003 0.000 0.995 211 K CB 0.521 33.028 32.500 0.012 0.000 0.917 211 K HN 0.470 nan 8.250 nan 0.000 0.481 212 E N 4.009 124.240 120.200 0.052 0.000 2.257 212 E HA 0.061 4.411 4.350 -0.000 0.000 0.278 212 E C -0.443 176.225 176.600 0.112 0.000 1.049 212 E CA -0.397 56.067 56.400 0.107 0.000 0.876 212 E CB 0.677 30.503 29.700 0.211 0.000 1.035 212 E HN 0.377 nan 8.360 nan 0.000 0.419 213 L N 4.855 126.135 121.223 0.096 0.000 2.328 213 L HA 0.199 4.539 4.340 -0.000 0.000 0.280 213 L C 0.187 177.098 176.870 0.069 0.000 1.111 213 L CA -0.177 54.703 54.840 0.068 0.000 0.909 213 L CB -0.809 41.278 42.059 0.047 0.000 1.277 213 L HN 0.229 nan 8.230 nan 0.000 0.433 214 N N 2.338 121.069 118.700 0.052 0.000 2.502 214 N HA 0.322 5.062 4.740 -0.000 0.000 0.280 214 N C 1.045 176.541 175.510 -0.023 0.000 1.223 214 N CA -0.623 52.431 53.050 0.006 0.000 0.966 214 N CB 1.096 39.566 38.487 -0.028 0.000 1.203 214 N HN 0.469 nan 8.380 nan 0.000 0.565 215 M N -0.473 119.093 119.600 -0.057 0.000 2.200 215 M HA 0.134 4.614 4.480 -0.000 0.000 0.265 215 M C 0.452 176.716 176.300 -0.060 0.000 1.066 215 M CA 1.309 56.575 55.300 -0.057 0.000 1.127 215 M CB 0.092 32.651 32.600 -0.069 0.000 1.379 215 M HN 0.524 nan 8.290 nan 0.000 0.420 216 G N -0.967 107.786 108.800 -0.079 0.000 2.680 216 G HA2 0.408 4.368 3.960 -0.000 0.000 0.290 216 G HA3 0.408 4.368 3.960 -0.000 0.000 0.290 216 G C -1.127 173.727 174.900 -0.077 0.000 1.355 216 G CA -0.615 44.440 45.100 -0.076 0.000 0.903 216 G HN 0.420 nan 8.290 nan 0.000 0.474 217 Q N -1.066 118.701 119.800 -0.054 0.000 2.435 217 Q HA -0.216 4.124 4.340 -0.000 0.000 0.312 217 Q C 1.563 177.566 176.000 0.004 0.000 1.333 217 Q CA 0.401 56.187 55.803 -0.029 0.000 0.883 217 Q CB -0.573 28.125 28.738 -0.066 0.000 1.170 217 Q HN 0.580 nan 8.270 nan 0.000 0.443 218 R N -0.192 120.319 120.500 0.017 0.000 2.159 218 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 218 R C 2.295 178.643 176.300 0.080 0.000 1.131 218 R CA 1.857 57.981 56.100 0.041 0.000 0.982 218 R CB -0.221 30.101 30.300 0.037 0.000 0.868 218 R HN 0.782 nan 8.270 nan 0.000 0.453 219 C N -1.469 117.885 119.300 0.089 0.000 2.618 219 C HA 0.275 4.735 4.460 -0.000 0.000 0.264 219 C C 1.188 176.274 174.990 0.160 0.000 1.334 219 C CA -0.971 58.123 59.018 0.125 0.000 1.731 219 C CB -0.700 27.101 27.740 0.102 0.000 1.852 219 C HN 0.222 nan 8.230 nan 0.000 0.566 220 S N 1.543 117.325 115.700 0.136 0.000 2.564 220 S HA 0.236 4.706 4.470 -0.000 0.000 0.278 220 S C -0.497 174.227 174.600 0.206 0.000 1.333 220 S CA -0.051 58.262 58.200 0.188 0.000 1.048 220 S CB 0.223 63.497 63.200 0.124 0.000 0.900 220 S HN 0.693 nan 8.310 nan 0.000 0.505 221 D N 2.472 123.011 120.400 0.232 0.000 2.295 221 D HA 0.399 5.039 4.640 -0.000 0.000 0.248 221 D C -0.910 175.433 176.300 0.071 0.000 1.154 221 D CA 0.033 54.057 54.000 0.040 0.000 0.857 221 D CB 0.775 41.406 40.800 -0.282 0.000 1.117 221 D HN 0.403 nan 8.370 nan 0.000 0.468 222 T N 4.644 119.247 114.554 0.083 0.000 2.881 222 T HA 0.631 4.981 4.350 -0.000 0.000 0.291 222 T C -0.600 174.158 174.700 0.096 0.000 0.990 222 T CA -0.944 61.237 62.100 0.134 0.000 0.976 222 T CB 1.068 70.060 68.868 0.206 0.000 0.970 222 T HN 0.565 nan 8.240 nan 0.000 0.438 223 R N 0.666 121.201 120.500 0.060 0.000 2.716 223 R HA 0.795 5.135 4.340 -0.000 0.000 0.271 223 R C -0.451 175.803 176.300 -0.076 0.000 1.028 223 R CA -1.413 54.677 56.100 -0.018 0.000 0.883 223 R CB 0.791 31.070 30.300 -0.034 0.000 1.250 223 R HN 0.654 nan 8.270 nan 0.000 0.465 224 G N 0.843 109.551 108.800 -0.154 0.000 2.451 224 G HA2 0.664 4.624 3.960 -0.000 0.000 0.303 224 G HA3 0.664 4.624 3.960 -0.000 0.000 0.303 224 G C -0.555 174.260 174.900 -0.143 0.000 1.166 224 G CA -0.960 44.024 45.100 -0.193 0.000 0.884 224 G HN 0.439 nan 8.290 nan 0.000 0.514 225 I N 0.434 120.923 120.570 -0.134 0.000 2.607 225 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 225 I C -0.636 175.405 176.117 -0.126 0.000 1.129 225 I CA -0.930 60.271 61.300 -0.166 0.000 1.042 225 I CB 2.465 40.334 38.000 -0.217 0.000 1.242 225 I HN 0.104 nan 8.210 nan 0.000 0.421 226 V N 5.772 125.585 119.914 -0.168 0.000 2.481 226 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 226 V C -0.535 175.428 176.094 -0.219 0.000 1.042 226 V CA -0.312 61.930 62.300 -0.096 0.000 0.928 226 V CB 1.337 33.114 31.823 -0.076 0.000 0.986 226 V HN 0.373 nan 8.190 nan 0.000 0.462 227 F N 3.369 123.270 119.950 -0.081 0.000 2.411 227 F HA 0.475 5.002 4.527 -0.000 0.000 0.352 227 F C 0.509 176.276 175.800 -0.056 0.000 1.123 227 F CA -0.481 57.476 58.000 -0.071 0.000 1.044 227 F CB 1.425 40.368 39.000 -0.094 0.000 1.135 227 F HN 0.600 nan 8.300 nan 0.000 0.461 228 E N 2.683 122.928 120.200 0.075 0.000 2.279 228 E HA 0.264 4.614 4.350 -0.000 0.000 0.252 228 E C -1.120 175.503 176.600 0.037 0.000 0.894 228 E CA -0.843 55.583 56.400 0.044 0.000 0.785 228 E CB 1.149 30.853 29.700 0.007 0.000 1.237 228 E HN 0.586 nan 8.360 nan 0.000 0.418 229 D N 1.287 121.711 120.400 0.040 0.000 2.837 229 D HA -0.143 4.497 4.640 -0.000 0.000 0.230 229 D C -0.234 176.086 176.300 0.033 0.000 1.152 229 D CA 0.570 54.585 54.000 0.025 0.000 0.736 229 D CB -1.077 39.730 40.800 0.012 0.000 1.084 229 D HN 0.359 nan 8.370 nan 0.000 0.429 230 V N 0.749 120.701 119.914 0.064 0.000 2.493 230 V HA -0.071 4.049 4.120 -0.000 0.000 0.292 230 V C 0.879 176.994 176.094 0.035 0.000 1.016 230 V CA 0.387 62.733 62.300 0.077 0.000 1.097 230 V CB 0.915 32.860 31.823 0.203 0.000 0.947 230 V HN -0.014 nan 8.190 nan 0.000 0.479 231 K N 4.610 125.030 120.400 0.034 0.000 2.285 231 K HA 0.463 4.783 4.320 -0.000 0.000 0.286 231 K C -0.372 176.252 176.600 0.041 0.000 1.072 231 K CA -0.394 55.912 56.287 0.031 0.000 0.913 231 K CB 1.344 33.863 32.500 0.031 0.000 1.067 231 K HN 0.497 nan 8.250 nan 0.000 0.479 232 V N 5.438 125.376 119.914 0.040 0.000 2.540 232 V HA 0.391 4.511 4.120 -0.000 0.000 0.302 232 V C -2.500 173.684 176.094 0.150 0.000 1.035 232 V CA -2.739 59.594 62.300 0.055 0.000 0.873 232 V CB 1.966 33.734 31.823 -0.091 0.000 0.992 232 V HN 0.657 nan 8.190 nan 0.000 0.428 233 P HA 0.206 nan 4.420 nan 0.000 0.282 233 P C 0.817 178.260 177.300 0.239 0.000 1.262 233 P CA -0.390 62.813 63.100 0.172 0.000 0.773 233 P CB 0.763 32.538 31.700 0.124 0.000 0.879 234 K N 4.160 124.746 120.400 0.310 0.000 2.195 234 K HA -0.306 4.014 4.320 -0.000 0.000 0.216 234 K C 1.439 178.152 176.600 0.189 0.000 1.039 234 K CA 2.488 58.967 56.287 0.321 0.000 0.940 234 K CB -0.220 32.411 32.500 0.220 0.000 0.778 234 K HN 0.667 nan 8.250 nan 0.000 0.475 235 E N -0.358 119.922 120.200 0.133 0.000 2.409 235 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 235 E C 0.862 177.514 176.600 0.087 0.000 1.024 235 E CA 0.978 57.433 56.400 0.092 0.000 0.861 235 E CB -0.362 29.382 29.700 0.074 0.000 0.788 235 E HN 0.468 nan 8.360 nan 0.000 0.521 236 N N 0.824 119.590 118.700 0.110 0.000 2.398 236 N HA 0.045 4.785 4.740 -0.000 0.000 0.188 236 N C -0.154 175.369 175.510 0.023 0.000 1.122 236 N CA -0.140 52.958 53.050 0.080 0.000 0.866 236 N CB 0.745 39.296 38.487 0.106 0.000 0.970 236 N HN -0.021 nan 8.380 nan 0.000 0.462 237 V N 2.065 121.959 119.914 -0.032 0.000 2.715 237 V HA -0.046 4.074 4.120 -0.000 0.000 0.299 237 V C 1.504 177.485 176.094 -0.189 0.000 1.054 237 V CA -0.097 62.045 62.300 -0.263 0.000 1.077 237 V CB 1.471 33.104 31.823 -0.317 0.000 0.972 237 V HN 0.177 nan 8.190 nan 0.000 0.484 238 L N 3.739 124.819 121.223 -0.239 0.000 1.961 238 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 238 L C 1.695 178.519 176.870 -0.078 0.000 1.075 238 L CA 2.263 57.041 54.840 -0.104 0.000 0.749 238 L CB -0.533 41.509 42.059 -0.027 0.000 0.890 238 L HN 0.622 nan 8.230 nan 0.000 0.433 239 I N -2.666 117.853 120.570 -0.085 0.000 4.244 239 I HA 0.276 4.445 4.170 -0.000 0.000 0.318 239 I C 0.657 176.746 176.117 -0.047 0.000 1.282 239 I CA 0.363 61.633 61.300 -0.049 0.000 1.276 239 I CB 1.322 39.304 38.000 -0.029 0.000 1.183 239 I HN 0.348 nan 8.210 nan 0.000 0.431 240 G N 0.451 109.205 108.800 -0.077 0.000 2.336 240 G HA2 0.011 3.971 3.960 -0.000 0.000 0.300 240 G HA3 0.011 3.971 3.960 -0.000 0.000 0.300 240 G C -1.897 172.955 174.900 -0.081 0.000 1.375 240 G CA -0.852 44.218 45.100 -0.049 0.000 0.885 240 G HN -0.043 nan 8.290 nan 0.000 0.599 241 D N -0.482 119.902 120.400 -0.027 0.000 2.458 241 D HA 0.442 5.082 4.640 -0.000 0.000 0.243 241 D C 1.500 177.788 176.300 -0.021 0.000 1.146 241 D CA 2.441 56.431 54.000 -0.017 0.000 0.877 241 D CB 0.478 41.329 40.800 0.085 0.000 1.176 241 D HN 1.800 nan 8.370 nan 0.000 0.461 242 G N 2.468 111.248 108.800 -0.033 0.000 2.225 242 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 242 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 242 G C 1.080 176.003 174.900 0.037 0.000 0.988 242 G CA 0.503 45.600 45.100 -0.006 0.000 0.625 242 G HN 0.791 nan 8.290 nan 0.000 0.527 243 A N 0.685 123.513 122.820 0.014 0.000 2.167 243 A HA 0.497 4.817 4.320 -0.000 0.000 0.214 243 A C 2.659 180.297 177.584 0.091 0.000 1.151 243 A CA 1.656 53.719 52.037 0.043 0.000 0.735 243 A CB -0.771 18.230 19.000 0.001 0.000 0.802 243 A HN 1.632 nan 8.150 nan 0.000 0.467 244 G N -0.235 108.622 108.800 0.097 0.000 2.574 244 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.220 244 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.220 244 G C 1.389 176.422 174.900 0.222 0.000 1.173 244 G CA 1.395 46.583 45.100 0.147 0.000 0.772 244 G HN 0.476 nan 8.290 nan 0.000 0.585 245 F N 2.184 122.230 119.950 0.159 0.000 2.126 245 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 245 F C 3.057 178.914 175.800 0.095 0.000 1.096 245 F CA 2.141 60.226 58.000 0.141 0.000 1.255 245 F CB -0.125 39.006 39.000 0.218 0.000 0.997 245 F HN 0.110 nan 8.300 nan 0.000 0.479 246 K N -0.534 120.009 120.400 0.237 0.000 2.032 246 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 246 K C 2.058 178.657 176.600 -0.001 0.000 1.048 246 K CA 1.317 57.671 56.287 0.113 0.000 0.927 246 K CB -1.500 31.058 32.500 0.096 0.000 0.712 246 K HN 0.306 nan 8.250 nan 0.000 0.441 247 V N 1.208 121.119 119.914 -0.005 0.000 2.237 247 V HA -0.213 3.906 4.120 -0.000 0.000 0.245 247 V C 2.733 178.710 176.094 -0.194 0.000 1.046 247 V CA 1.981 64.233 62.300 -0.079 0.000 1.007 247 V CB -1.169 30.639 31.823 -0.024 0.000 0.638 247 V HN 0.553 nan 8.190 nan 0.000 0.445 248 A N -0.341 122.394 122.820 -0.142 0.000 1.892 248 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 248 A C 2.194 179.516 177.584 -0.438 0.000 1.188 248 A CA 2.370 54.272 52.037 -0.226 0.000 0.631 248 A CB -0.521 18.447 19.000 -0.054 0.000 0.822 248 A HN 0.441 nan 8.150 nan 0.000 0.447 249 M N -0.724 118.686 119.600 -0.317 0.000 2.296 249 M HA -0.055 4.424 4.480 -0.000 0.000 0.265 249 M C 2.186 178.408 176.300 -0.131 0.000 1.064 249 M CA 1.342 56.539 55.300 -0.172 0.000 1.109 249 M CB -1.668 30.851 32.600 -0.134 0.000 1.396 249 M HN 0.490 nan 8.290 nan 0.000 0.430 250 G N -0.491 108.208 108.800 -0.168 0.000 2.623 250 G HA2 0.138 4.098 3.960 -0.000 0.000 0.214 250 G HA3 0.138 4.098 3.960 -0.000 0.000 0.214 250 G C 1.660 176.460 174.900 -0.168 0.000 1.138 250 G CA 0.797 45.832 45.100 -0.108 0.000 0.794 250 G HN 0.499 nan 8.290 nan 0.000 0.535 251 A N 1.168 123.789 122.820 -0.331 0.000 1.858 251 A HA 0.091 4.411 4.320 -0.000 0.000 0.216 251 A C 2.052 179.453 177.584 -0.305 0.000 1.190 251 A CA 1.144 52.944 52.037 -0.394 0.000 0.617 251 A CB -0.711 17.956 19.000 -0.554 0.000 0.827 251 A HN 0.340 nan 8.150 nan 0.000 0.443 252 F N 0.348 120.218 119.950 -0.132 0.000 2.271 252 F HA -0.274 4.253 4.527 -0.000 0.000 0.302 252 F C 1.969 177.729 175.800 -0.067 0.000 1.063 252 F CA 1.107 59.035 58.000 -0.120 0.000 1.362 252 F CB -0.541 38.397 39.000 -0.102 0.000 1.060 252 F HN 0.241 nan 8.300 nan 0.000 0.521 253 D N 0.431 120.888 120.400 0.095 0.000 2.133 253 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 253 D C 1.717 178.052 176.300 0.059 0.000 0.997 253 D CA 1.378 55.424 54.000 0.077 0.000 0.840 253 D CB -0.056 40.767 40.800 0.038 0.000 0.947 253 D HN 0.232 nan 8.370 nan 0.000 0.452 254 K N -1.182 119.216 120.400 -0.005 0.000 2.358 254 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 254 K C 0.774 177.357 176.600 -0.028 0.000 1.030 254 K CA 0.286 56.560 56.287 -0.020 0.000 1.097 254 K CB 1.224 33.644 32.500 -0.134 0.000 0.862 254 K HN 0.121 nan 8.250 nan 0.000 0.534 255 T N -0.344 114.203 114.554 -0.012 0.000 3.058 255 T HA 0.103 4.453 4.350 -0.000 0.000 0.247 255 T C 1.797 176.511 174.700 0.024 0.000 0.987 255 T CA -0.253 61.839 62.100 -0.014 0.000 1.062 255 T CB 0.175 69.001 68.868 -0.069 0.000 1.048 255 T HN 0.032 nan 8.240 nan 0.000 0.468 256 R N 1.473 122.011 120.500 0.063 0.000 2.096 256 R HA -0.080 4.260 4.340 -0.000 0.000 0.240 256 R C -0.795 175.539 176.300 0.057 0.000 1.139 256 R CA 1.924 58.054 56.100 0.051 0.000 0.952 256 R CB -1.190 29.146 30.300 0.060 0.000 0.854 256 R HN 0.342 nan 8.270 nan 0.000 0.436 257 P HA -0.086 nan 4.420 nan 0.000 0.218 257 P C 1.206 178.510 177.300 0.007 0.000 1.149 257 P CA 0.949 64.117 63.100 0.113 0.000 0.817 257 P CB 0.065 31.873 31.700 0.180 0.000 0.785 258 V N -0.415 119.501 119.914 0.004 0.000 2.358 258 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 258 V C 2.492 178.540 176.094 -0.077 0.000 1.047 258 V CA 1.622 63.891 62.300 -0.053 0.000 1.035 258 V CB -1.209 30.621 31.823 0.012 0.000 0.658 258 V HN -0.027 nan 8.190 nan 0.000 0.452 259 V N 0.424 120.324 119.914 -0.023 0.000 2.343 259 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 259 V C 2.711 178.821 176.094 0.027 0.000 1.051 259 V CA 1.985 64.317 62.300 0.053 0.000 1.036 259 V CB -1.139 30.702 31.823 0.031 0.000 0.654 259 V HN 0.557 nan 8.190 nan 0.000 0.451 260 A N 0.211 123.004 122.820 -0.046 0.000 1.877 260 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 260 A C 2.443 179.848 177.584 -0.297 0.000 1.186 260 A CA 2.032 54.016 52.037 -0.089 0.000 0.620 260 A CB -0.910 18.113 19.000 0.038 0.000 0.822 260 A HN 0.591 nan 8.150 nan 0.000 0.443 261 A N -0.653 121.810 122.820 -0.595 0.000 2.032 261 A HA 0.066 4.385 4.320 -0.000 0.000 0.221 261 A C 2.265 179.583 177.584 -0.444 0.000 1.165 261 A CA 1.981 53.395 52.037 -1.038 0.000 0.645 261 A CB -1.154 17.104 19.000 -1.236 0.000 0.807 261 A HN 0.736 nan 8.150 nan 0.000 0.453 262 G N -0.968 107.668 108.800 -0.274 0.000 2.408 262 G HA2 0.141 4.101 3.960 -0.000 0.000 0.215 262 G HA3 0.141 4.101 3.960 -0.000 0.000 0.215 262 G C 1.682 176.346 174.900 -0.394 0.000 1.156 262 G CA 1.034 46.035 45.100 -0.165 0.000 0.793 262 G HN 0.731 nan 8.290 nan 0.000 0.535 263 A N 0.564 122.949 122.820 -0.725 0.000 1.933 263 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 263 A C 2.633 179.976 177.584 -0.401 0.000 1.175 263 A CA 2.026 53.497 52.037 -0.944 0.000 0.628 263 A CB -0.738 17.761 19.000 -0.835 0.000 0.814 263 A HN 0.874 nan 8.150 nan 0.000 0.444 264 V N -0.321 119.445 119.914 -0.247 0.000 2.548 264 V HA 0.008 4.128 4.120 -0.000 0.000 0.249 264 V C 2.162 178.236 176.094 -0.032 0.000 1.055 264 V CA 2.259 64.511 62.300 -0.079 0.000 1.065 264 V CB -1.170 30.703 31.823 0.084 0.000 0.681 264 V HN 0.436 nan 8.190 nan 0.000 0.462 265 G N 0.946 109.714 108.800 -0.053 0.000 2.514 265 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 265 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 265 G C 1.579 176.472 174.900 -0.010 0.000 1.198 265 G CA 1.281 46.404 45.100 0.038 0.000 0.780 265 G HN 0.492 nan 8.290 nan 0.000 0.565 266 L N 1.627 122.798 121.223 -0.086 0.000 2.043 266 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 266 L C 2.982 179.786 176.870 -0.109 0.000 1.075 266 L CA 2.811 57.590 54.840 -0.103 0.000 0.752 266 L CB -1.402 40.601 42.059 -0.092 0.000 0.891 266 L HN 0.317 nan 8.230 nan 0.000 0.432 267 A N -0.833 121.928 122.820 -0.098 0.000 1.877 267 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 267 A C 2.106 179.672 177.584 -0.030 0.000 1.186 267 A CA 1.533 53.528 52.037 -0.070 0.000 0.620 267 A CB -0.614 18.341 19.000 -0.075 0.000 0.822 267 A HN 0.578 nan 8.150 nan 0.000 0.443 268 Q N -0.651 119.164 119.800 0.026 0.000 2.152 268 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 268 Q C 2.212 178.227 176.000 0.024 0.000 0.985 268 Q CA 2.073 57.937 55.803 0.102 0.000 0.863 268 Q CB -0.306 28.602 28.738 0.283 0.000 0.904 268 Q HN 0.680 nan 8.270 nan 0.000 0.422 269 R N 0.319 120.714 120.500 -0.175 0.000 2.057 269 R HA 0.011 4.351 4.340 -0.000 0.000 0.229 269 R C 2.076 178.267 176.300 -0.182 0.000 1.136 269 R CA 1.665 57.505 56.100 -0.433 0.000 0.952 269 R CB -0.889 28.968 30.300 -0.737 0.000 0.848 269 R HN 0.136 nan 8.270 nan 0.000 0.430 270 A N 1.316 124.062 122.820 -0.124 0.000 1.881 270 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 270 A C 2.106 179.676 177.584 -0.024 0.000 1.215 270 A CA 2.049 54.047 52.037 -0.064 0.000 0.648 270 A CB -1.199 17.768 19.000 -0.054 0.000 0.832 270 A HN 0.417 nan 8.150 nan 0.000 0.455 271 L N -0.016 121.202 121.223 -0.008 0.000 1.990 271 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 271 L C 1.815 178.713 176.870 0.047 0.000 1.072 271 L CA 2.818 57.672 54.840 0.025 0.000 0.755 271 L CB -0.868 41.212 42.059 0.036 0.000 0.889 271 L HN 0.414 nan 8.230 nan 0.000 0.432 272 D N -0.598 119.838 120.400 0.060 0.000 2.104 272 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 272 D C 2.143 178.491 176.300 0.080 0.000 0.994 272 D CA 1.261 55.316 54.000 0.091 0.000 0.830 272 D CB -0.088 40.807 40.800 0.158 0.000 0.959 272 D HN 0.414 nan 8.370 nan 0.000 0.452 273 E N 0.654 120.882 120.200 0.047 0.000 2.051 273 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 273 E C 2.131 178.788 176.600 0.096 0.000 0.991 273 E CA 0.952 57.391 56.400 0.065 0.000 0.799 273 E CB -0.404 29.310 29.700 0.023 0.000 0.748 273 E HN 0.227 nan 8.360 nan 0.000 0.449 274 A N 0.840 123.700 122.820 0.067 0.000 1.933 274 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 274 A C 2.439 180.102 177.584 0.132 0.000 1.175 274 A CA 2.102 54.193 52.037 0.091 0.000 0.628 274 A CB -0.807 18.227 19.000 0.056 0.000 0.814 274 A HN 0.257 nan 8.150 nan 0.000 0.444 275 T N -0.095 114.522 114.554 0.104 0.000 2.770 275 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 275 T C 1.925 176.689 174.700 0.105 0.000 1.039 275 T CA 1.549 63.706 62.100 0.095 0.000 1.142 275 T CB -0.184 68.728 68.868 0.074 0.000 0.868 275 T HN 0.532 nan 8.240 nan 0.000 0.435 276 K N 0.263 120.733 120.400 0.117 0.000 2.020 276 K HA -0.180 4.140 4.320 -0.000 0.000 0.212 276 K C 2.146 178.829 176.600 0.139 0.000 1.050 276 K CA 1.803 58.161 56.287 0.117 0.000 0.929 276 K CB -0.426 32.149 32.500 0.126 0.000 0.714 276 K HN 0.350 nan 8.250 nan 0.000 0.443 277 Y N 0.984 121.319 120.300 0.059 0.000 2.181 277 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 277 Y C 2.052 177.980 175.900 0.046 0.000 1.146 277 Y CA 1.512 59.648 58.100 0.060 0.000 1.164 277 Y CB -0.178 38.317 38.460 0.058 0.000 0.982 277 Y HN 0.072 nan 8.280 nan 0.000 0.515 278 A N -0.680 122.222 122.820 0.138 0.000 2.209 278 A HA 0.001 4.321 4.320 -0.000 0.000 0.212 278 A C 1.945 179.524 177.584 -0.008 0.000 1.158 278 A CA 0.969 53.045 52.037 0.064 0.000 0.742 278 A CB -0.792 18.278 19.000 0.117 0.000 0.790 278 A HN 0.562 nan 8.150 nan 0.000 0.472 279 L N -1.089 120.126 121.223 -0.014 0.000 2.529 279 L HA 0.009 4.348 4.340 -0.000 0.000 0.223 279 L C 2.027 178.860 176.870 -0.062 0.000 1.113 279 L CA 0.832 55.657 54.840 -0.024 0.000 0.861 279 L CB 0.023 42.084 42.059 0.005 0.000 1.012 279 L HN 0.553 nan 8.230 nan 0.000 0.461 280 E N -0.773 119.353 120.200 -0.124 0.000 2.290 280 E HA 0.014 4.364 4.350 -0.000 0.000 0.199 280 E C 0.782 177.261 176.600 -0.203 0.000 0.912 280 E CA -0.429 55.885 56.400 -0.144 0.000 0.924 280 E CB 0.087 29.716 29.700 -0.118 0.000 0.901 280 E HN -0.009 nan 8.360 nan 0.000 0.487 281 R N 3.152 123.434 120.500 -0.365 0.000 2.421 281 R HA 0.049 4.389 4.340 -0.000 0.000 0.305 281 R C -0.602 175.611 176.300 -0.146 0.000 1.039 281 R CA 0.066 55.961 56.100 -0.342 0.000 1.003 281 R CB 0.310 30.241 30.300 -0.616 0.000 0.959 281 R HN -0.109 nan 8.270 nan 0.000 0.427 282 K N 3.339 123.689 120.400 -0.083 0.000 2.123 282 K HA 0.393 4.713 4.320 -0.000 0.000 0.259 282 K C -0.524 176.085 176.600 0.014 0.000 0.960 282 K CA -0.716 55.557 56.287 -0.023 0.000 0.872 282 K CB 1.709 34.194 32.500 -0.024 0.000 1.079 282 K HN 0.813 nan 8.250 nan 0.000 0.440 283 T N -2.119 112.506 114.554 0.118 0.000 2.912 283 T HA 0.490 4.840 4.350 -0.000 0.000 0.299 283 T C -0.060 174.814 174.700 0.290 0.000 1.052 283 T CA -0.731 61.425 62.100 0.094 0.000 0.996 283 T CB 0.316 69.314 68.868 0.218 0.000 1.070 283 T HN 0.550 nan 8.240 nan 0.000 0.465 284 F N 1.201 121.201 119.950 0.083 0.000 3.090 284 F HA -0.097 4.430 4.527 -0.001 0.000 0.282 284 F C 1.707 177.547 175.800 0.067 0.000 0.923 284 F CA 1.423 59.470 58.000 0.078 0.000 0.977 284 F CB -1.984 37.083 39.000 0.112 0.000 0.954 284 F HN 1.544 nan 8.300 nan 0.000 0.695 285 G N -0.905 107.978 108.800 0.138 0.000 2.225 285 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.254 285 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.254 285 G C 0.235 175.167 174.900 0.053 0.000 0.988 285 G CA 0.415 45.564 45.100 0.082 0.000 0.625 285 G HN 0.682 nan 8.290 nan 0.000 0.527 286 K N -0.159 120.277 120.400 0.061 0.000 2.444 286 K HA 0.810 5.130 4.320 -0.000 0.000 0.252 286 K C 0.172 176.725 176.600 -0.078 0.000 0.993 286 K CA -1.270 54.990 56.287 -0.044 0.000 0.847 286 K CB 1.794 34.221 32.500 -0.123 0.000 1.340 286 K HN 0.073 nan 8.250 nan 0.000 0.446 287 L N 2.108 123.270 121.223 -0.101 0.000 2.499 287 L HA -0.038 4.302 4.340 -0.000 0.000 0.281 287 L C 1.529 178.322 176.870 -0.128 0.000 1.234 287 L CA -0.013 54.773 54.840 -0.091 0.000 0.839 287 L CB 0.129 42.143 42.059 -0.075 0.000 1.104 287 L HN 0.600 nan 8.230 nan 0.000 0.500 288 L N 2.270 123.475 121.223 -0.030 0.000 2.042 288 L HA -0.204 4.135 4.340 -0.000 0.000 0.210 288 L C 2.317 179.202 176.870 0.025 0.000 1.076 288 L CA 1.316 56.199 54.840 0.071 0.000 0.749 288 L CB -0.489 41.643 42.059 0.121 0.000 0.893 288 L HN 0.770 nan 8.230 nan 0.000 0.432 289 V N -2.642 117.271 119.914 -0.002 0.000 2.688 289 V HA -0.226 3.894 4.120 -0.000 0.000 0.256 289 V C 1.607 177.687 176.094 -0.022 0.000 1.084 289 V CA 1.656 63.962 62.300 0.012 0.000 1.103 289 V CB -0.769 31.062 31.823 0.015 0.000 0.688 289 V HN 0.500 nan 8.190 nan 0.000 0.480 290 E N -0.582 119.545 120.200 -0.122 0.000 2.476 290 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 290 E C -0.113 176.366 176.600 -0.202 0.000 1.064 290 E CA -0.074 56.236 56.400 -0.149 0.000 0.866 290 E CB -0.095 29.503 29.700 -0.170 0.000 0.952 290 E HN 0.714 nan 8.360 nan 0.000 0.492 291 H N 1.369 120.448 119.070 0.016 0.000 2.640 291 H HA 0.134 4.690 4.556 -0.000 0.000 0.297 291 H C 0.856 176.171 175.328 -0.021 0.000 1.073 291 H CA -0.190 55.849 56.048 -0.016 0.000 1.305 291 H CB 0.961 30.715 29.762 -0.013 0.000 1.404 291 H HN 0.154 nan 8.280 nan 0.000 0.459 292 Q N 2.627 122.456 119.800 0.050 0.000 2.142 292 Q HA -0.257 4.083 4.340 -0.000 0.000 0.213 292 Q C 1.996 177.946 176.000 -0.083 0.000 1.004 292 Q CA 2.133 57.906 55.803 -0.051 0.000 0.883 292 Q CB 0.059 28.644 28.738 -0.254 0.000 0.939 292 Q HN 0.785 nan 8.270 nan 0.000 0.413 293 A N 0.497 123.258 122.820 -0.098 0.000 1.940 293 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 293 A C 1.889 179.517 177.584 0.074 0.000 1.176 293 A CA 1.324 53.324 52.037 -0.062 0.000 0.631 293 A CB -0.390 18.570 19.000 -0.066 0.000 0.814 293 A HN 0.279 nan 8.150 nan 0.000 0.446 294 I N -0.484 120.153 120.570 0.111 0.000 2.333 294 I HA -0.094 4.076 4.170 -0.000 0.000 0.246 294 I C 2.610 178.821 176.117 0.156 0.000 1.106 294 I CA 1.336 62.717 61.300 0.134 0.000 1.411 294 I CB -1.526 36.565 38.000 0.151 0.000 1.082 294 I HN 0.211 nan 8.210 nan 0.000 0.420 295 S N 0.919 116.728 115.700 0.182 0.000 2.372 295 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 295 S C 1.935 176.701 174.600 0.276 0.000 1.044 295 S CA 1.572 59.899 58.200 0.212 0.000 1.050 295 S CB -0.375 62.987 63.200 0.269 0.000 0.901 295 S HN 0.266 nan 8.310 nan 0.000 0.447 296 F N 1.129 121.094 119.950 0.027 0.000 2.216 296 F HA 0.044 4.570 4.527 -0.000 0.000 0.300 296 F C 2.265 178.078 175.800 0.021 0.000 1.085 296 F CA 0.633 58.645 58.000 0.020 0.000 1.326 296 F CB -0.636 38.374 39.000 0.017 0.000 1.027 296 F HN 0.183 nan 8.300 nan 0.000 0.497 297 M N -0.834 118.896 119.600 0.216 0.000 2.086 297 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 297 M C 2.193 178.541 176.300 0.081 0.000 1.067 297 M CA 1.644 57.016 55.300 0.120 0.000 1.116 297 M CB -0.473 32.185 32.600 0.098 0.000 1.348 297 M HN 0.121 nan 8.290 nan 0.000 0.407 298 L N -0.822 120.452 121.223 0.084 0.000 2.093 298 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 298 L C 2.752 179.639 176.870 0.029 0.000 1.085 298 L CA 0.915 55.789 54.840 0.056 0.000 0.755 298 L CB -0.925 41.172 42.059 0.063 0.000 0.904 298 L HN 0.297 nan 8.230 nan 0.000 0.435 299 A N 0.387 123.215 122.820 0.012 0.000 1.884 299 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 299 A C 2.167 179.732 177.584 -0.031 0.000 1.197 299 A CA 2.104 54.114 52.037 -0.045 0.000 0.637 299 A CB -0.530 18.377 19.000 -0.154 0.000 0.827 299 A HN 0.497 nan 8.150 nan 0.000 0.450 300 E N -1.008 119.187 120.200 -0.008 0.000 2.216 300 E HA -0.074 4.275 4.350 -0.000 0.000 0.192 300 E C 2.074 178.682 176.600 0.013 0.000 0.988 300 E CA 0.917 57.319 56.400 0.003 0.000 0.834 300 E CB -0.226 29.488 29.700 0.023 0.000 0.772 300 E HN 0.689 nan 8.360 nan 0.000 0.479 301 M N 0.755 120.364 119.600 0.014 0.000 2.099 301 M HA -0.135 4.345 4.480 -0.000 0.000 0.262 301 M C 2.578 178.886 176.300 0.012 0.000 1.067 301 M CA 1.533 56.839 55.300 0.009 0.000 1.124 301 M CB -0.292 32.316 32.600 0.014 0.000 1.353 301 M HN 0.117 nan 8.290 nan 0.000 0.410 302 A N 1.131 123.959 122.820 0.013 0.000 1.908 302 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 302 A C 2.173 179.767 177.584 0.017 0.000 1.181 302 A CA 2.159 54.204 52.037 0.013 0.000 0.627 302 A CB -0.796 18.206 19.000 0.003 0.000 0.818 302 A HN 0.618 nan 8.150 nan 0.000 0.445 303 M N -0.763 118.845 119.600 0.014 0.000 2.067 303 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 303 M C 1.937 178.286 176.300 0.082 0.000 1.069 303 M CA 2.160 57.479 55.300 0.031 0.000 1.117 303 M CB -0.808 31.804 32.600 0.019 0.000 1.334 303 M HN 0.190 nan 8.290 nan 0.000 0.407 304 K N 0.776 121.227 120.400 0.086 0.000 2.152 304 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 304 K C 2.094 178.739 176.600 0.076 0.000 1.048 304 K CA 1.245 57.596 56.287 0.106 0.000 0.933 304 K CB -0.424 32.060 32.500 -0.026 0.000 0.721 304 K HN 0.142 nan 8.250 nan 0.000 0.447 305 V N 1.234 121.175 119.914 0.044 0.000 2.270 305 V HA -0.232 3.887 4.120 -0.000 0.000 0.245 305 V C 2.166 178.310 176.094 0.084 0.000 1.043 305 V CA 1.817 64.148 62.300 0.050 0.000 1.014 305 V CB -0.214 31.634 31.823 0.041 0.000 0.645 305 V HN 0.270 nan 8.190 nan 0.000 0.447 306 E N 0.083 120.322 120.200 0.065 0.000 2.049 306 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 306 E C 1.993 178.631 176.600 0.062 0.000 1.007 306 E CA 1.923 58.347 56.400 0.041 0.000 0.809 306 E CB -0.413 29.292 29.700 0.008 0.000 0.749 306 E HN 0.584 nan 8.360 nan 0.000 0.450 307 L N -0.457 120.835 121.223 0.116 0.000 2.056 307 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 307 L C 2.493 179.508 176.870 0.241 0.000 1.078 307 L CA 1.040 55.964 54.840 0.140 0.000 0.749 307 L CB -0.699 41.447 42.059 0.145 0.000 0.901 307 L HN 0.136 nan 8.230 nan 0.000 0.433 308 A N 0.509 123.563 122.820 0.389 0.000 1.927 308 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 308 A C 2.448 180.191 177.584 0.265 0.000 1.185 308 A CA 2.436 54.690 52.037 0.362 0.000 0.639 308 A CB -0.703 18.408 19.000 0.185 0.000 0.820 308 A HN 0.394 nan 8.150 nan 0.000 0.451 309 R N -0.918 119.682 120.500 0.167 0.000 2.070 309 R HA -0.074 4.266 4.340 -0.000 0.000 0.233 309 R C 2.296 178.448 176.300 -0.247 0.000 1.137 309 R CA 1.925 58.025 56.100 -0.002 0.000 0.945 309 R CB -0.339 29.983 30.300 0.035 0.000 0.845 309 R HN 0.583 nan 8.270 nan 0.000 0.430 310 M N 0.366 119.922 119.600 -0.073 0.000 2.117 310 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 310 M C 2.469 178.755 176.300 -0.024 0.000 1.065 310 M CA 2.074 57.349 55.300 -0.041 0.000 1.114 310 M CB -0.405 32.218 32.600 0.038 0.000 1.361 310 M HN 0.312 nan 8.290 nan 0.000 0.408 311 S N 0.966 116.697 115.700 0.051 0.000 2.370 311 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 311 S C 1.908 176.593 174.600 0.142 0.000 1.033 311 S CA 1.658 59.926 58.200 0.113 0.000 1.011 311 S CB -1.103 62.188 63.200 0.152 0.000 0.852 311 S HN 0.682 nan 8.310 nan 0.000 0.457 312 Y N 1.311 121.674 120.300 0.105 0.000 2.314 312 Y HA 0.249 4.799 4.550 -0.000 0.000 0.293 312 Y C 2.314 178.252 175.900 0.063 0.000 1.129 312 Y CA 0.811 58.958 58.100 0.078 0.000 1.201 312 Y CB -0.919 37.565 38.460 0.040 0.000 0.999 312 Y HN 0.231 nan 8.280 nan 0.000 0.541 313 Q N 0.184 119.695 119.800 -0.480 0.000 2.084 313 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 313 Q C 2.311 178.385 176.000 0.123 0.000 0.978 313 Q CA 1.724 57.373 55.803 -0.258 0.000 0.844 313 Q CB -0.189 28.423 28.738 -0.210 0.000 0.898 313 Q HN 0.331 nan 8.270 nan 0.000 0.426 314 R N 1.061 121.595 120.500 0.055 0.000 2.080 314 R HA -0.119 4.220 4.340 -0.000 0.000 0.236 314 R C 1.976 178.356 176.300 0.134 0.000 1.137 314 R CA 1.964 58.083 56.100 0.032 0.000 0.943 314 R CB -1.038 29.211 30.300 -0.085 0.000 0.846 314 R HN 0.240 nan 8.270 nan 0.000 0.431 315 A N 0.088 123.013 122.820 0.176 0.000 1.986 315 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 315 A C 2.339 180.073 177.584 0.249 0.000 1.171 315 A CA 2.102 54.285 52.037 0.243 0.000 0.640 315 A CB -0.984 18.175 19.000 0.265 0.000 0.811 315 A HN 0.532 nan 8.150 nan 0.000 0.451 316 A N -2.229 120.764 122.820 0.289 0.000 1.970 316 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 316 A C 1.931 179.741 177.584 0.377 0.000 1.170 316 A CA 1.206 53.431 52.037 0.314 0.000 0.645 316 A CB -0.686 18.494 19.000 0.300 0.000 0.816 316 A HN 0.828 nan 8.150 nan 0.000 0.447 317 W N 1.138 122.569 121.300 0.218 0.000 2.418 317 W HA -0.068 4.592 4.660 0.000 0.000 0.292 317 W C 1.875 178.401 176.519 0.013 0.000 1.213 317 W CA 1.522 58.930 57.345 0.106 0.000 1.283 317 W CB 0.186 29.655 29.460 0.016 0.000 1.119 317 W HN 0.305 nan 8.180 nan 0.000 0.542 318 E N 0.030 120.342 120.200 0.186 0.000 2.058 318 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 318 E C 2.230 178.774 176.600 -0.094 0.000 0.997 318 E CA 1.766 58.164 56.400 -0.003 0.000 0.801 318 E CB -1.244 28.537 29.700 0.134 0.000 0.746 318 E HN 0.322 nan 8.360 nan 0.000 0.450 319 V N 1.864 121.785 119.914 0.012 0.000 2.667 319 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 319 V C 1.178 177.236 176.094 -0.061 0.000 1.065 319 V CA 1.759 64.061 62.300 0.003 0.000 1.083 319 V CB -0.208 31.653 31.823 0.064 0.000 0.692 319 V HN 0.029 nan 8.190 nan 0.000 0.468 320 D N 0.073 120.414 120.400 -0.099 0.000 2.310 320 D HA -0.040 4.600 4.640 -0.000 0.000 0.212 320 D C 1.952 178.075 176.300 -0.294 0.000 0.965 320 D CA 1.255 55.165 54.000 -0.149 0.000 0.879 320 D CB -0.010 40.724 40.800 -0.111 0.000 0.921 320 D HN 0.468 nan 8.370 nan 0.000 0.510 321 S N -0.584 114.843 115.700 -0.455 0.000 2.743 321 S HA 0.284 4.754 4.470 -0.000 0.000 0.230 321 S C 1.556 176.010 174.600 -0.244 0.000 0.950 321 S CA 0.309 58.239 58.200 -0.450 0.000 0.976 321 S CB 0.269 63.031 63.200 -0.730 0.000 0.779 321 S HN 0.389 nan 8.310 nan 0.000 0.487 322 G N 2.204 110.908 108.800 -0.160 0.000 2.186 322 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.266 322 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.266 322 G C 0.176 175.035 174.900 -0.067 0.000 0.982 322 G CA 0.291 45.337 45.100 -0.091 0.000 0.670 322 G HN 0.501 nan 8.290 nan 0.000 0.533 323 R N 0.082 120.534 120.500 -0.080 0.000 2.615 323 R HA 0.510 4.850 4.340 -0.000 0.000 0.270 323 R C 1.153 177.466 176.300 0.022 0.000 1.081 323 R CA -0.256 55.832 56.100 -0.021 0.000 1.154 323 R CB 0.521 30.816 30.300 -0.009 0.000 1.063 323 R HN 0.612 nan 8.270 nan 0.000 0.519 324 R N 0.452 120.983 120.500 0.052 0.000 2.500 324 R HA 0.136 4.476 4.340 -0.000 0.000 0.275 324 R C -0.227 176.159 176.300 0.144 0.000 1.051 324 R CA -0.388 55.760 56.100 0.079 0.000 1.088 324 R CB 0.412 30.754 30.300 0.069 0.000 1.063 324 R HN 0.926 nan 8.270 nan 0.000 0.511 325 N N -0.218 118.586 118.700 0.173 0.000 2.299 325 N HA 0.036 4.775 4.740 -0.000 0.000 0.246 325 N C -0.188 175.481 175.510 0.264 0.000 1.254 325 N CA -0.534 52.681 53.050 0.275 0.000 0.879 325 N CB 1.009 39.651 38.487 0.258 0.000 1.214 325 N HN 0.521 nan 8.380 nan 0.000 0.510 326 T N 0.376 115.050 114.554 0.200 0.000 2.699 326 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 326 T C 1.197 176.007 174.700 0.183 0.000 1.036 326 T CA 1.519 63.721 62.100 0.170 0.000 1.147 326 T CB -0.459 68.494 68.868 0.141 0.000 0.862 326 T HN 0.427 nan 8.240 nan 0.000 0.446 327 Y N 0.716 121.022 120.300 0.010 0.000 2.070 327 Y HA -0.222 4.328 4.550 -0.000 0.000 0.280 327 Y C 2.156 177.992 175.900 -0.108 0.000 1.148 327 Y CA 1.184 59.217 58.100 -0.112 0.000 1.125 327 Y CB -0.748 37.536 38.460 -0.293 0.000 0.975 327 Y HN 0.235 nan 8.280 nan 0.000 0.492 328 Y N -0.292 120.142 120.300 0.224 0.000 2.181 328 Y HA -0.199 4.351 4.550 -0.000 0.000 0.288 328 Y C 2.677 178.619 175.900 0.069 0.000 1.146 328 Y CA 1.356 59.517 58.100 0.101 0.000 1.164 328 Y CB -1.274 37.306 38.460 0.200 0.000 0.982 328 Y HN 0.244 nan 8.280 nan 0.000 0.515 329 A N -0.670 122.296 122.820 0.243 0.000 1.865 329 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 329 A C 2.461 180.109 177.584 0.107 0.000 1.191 329 A CA 2.178 54.320 52.037 0.176 0.000 0.623 329 A CB -1.198 17.894 19.000 0.154 0.000 0.826 329 A HN 0.374 nan 8.150 nan 0.000 0.444 330 S N -0.388 115.348 115.700 0.059 0.000 2.442 330 S HA -0.090 4.380 4.470 -0.000 0.000 0.236 330 S C 1.689 176.280 174.600 -0.016 0.000 1.007 330 S CA 1.302 59.509 58.200 0.012 0.000 0.965 330 S CB -0.544 62.655 63.200 -0.003 0.000 0.773 330 S HN 0.518 nan 8.310 nan 0.000 0.504 331 I N 1.328 121.860 120.570 -0.063 0.000 2.202 331 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 331 I C 2.675 178.836 176.117 0.072 0.000 1.091 331 I CA 1.118 62.374 61.300 -0.074 0.000 1.368 331 I CB -0.484 37.401 38.000 -0.192 0.000 1.058 331 I HN 0.257 nan 8.210 nan 0.000 0.410 332 A N 0.862 123.756 122.820 0.122 0.000 1.933 332 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 332 A C 2.269 179.951 177.584 0.164 0.000 1.175 332 A CA 2.156 54.307 52.037 0.191 0.000 0.628 332 A CB -0.441 18.695 19.000 0.228 0.000 0.814 332 A HN 0.332 nan 8.150 nan 0.000 0.444 333 K N 0.120 120.588 120.400 0.113 0.000 2.103 333 K HA 0.153 4.473 4.320 -0.000 0.000 0.204 333 K C 1.953 178.608 176.600 0.091 0.000 1.052 333 K CA 1.511 57.853 56.287 0.091 0.000 0.945 333 K CB -0.517 32.018 32.500 0.059 0.000 0.722 333 K HN 0.257 nan 8.250 nan 0.000 0.443 334 A N 0.221 123.095 122.820 0.090 0.000 1.858 334 A HA -0.111 4.208 4.320 -0.000 0.000 0.216 334 A C 2.179 179.848 177.584 0.141 0.000 1.190 334 A CA 1.577 53.670 52.037 0.094 0.000 0.617 334 A CB -1.005 18.043 19.000 0.079 0.000 0.827 334 A HN 0.447 nan 8.150 nan 0.000 0.443 335 F N 0.663 120.619 119.950 0.009 0.000 2.146 335 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 335 F C 2.593 178.401 175.800 0.013 0.000 1.096 335 F CA 0.754 58.760 58.000 0.011 0.000 1.275 335 F CB -0.569 38.440 39.000 0.014 0.000 1.008 335 F HN 0.252 nan 8.300 nan 0.000 0.480 336 A N 0.150 122.979 122.820 0.015 0.000 1.877 336 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 336 A C 2.556 180.049 177.584 -0.150 0.000 1.186 336 A CA 1.785 53.766 52.037 -0.092 0.000 0.620 336 A CB -1.758 17.230 19.000 -0.020 0.000 0.822 336 A HN 0.469 nan 8.150 nan 0.000 0.443 337 G N 0.066 108.837 108.800 -0.048 0.000 2.514 337 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 337 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 337 G C 1.187 176.054 174.900 -0.055 0.000 1.198 337 G CA 1.367 46.475 45.100 0.014 0.000 0.780 337 G HN 0.470 nan 8.290 nan 0.000 0.565 338 D N 0.804 121.148 120.400 -0.094 0.000 2.092 338 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 338 D C 2.628 178.808 176.300 -0.200 0.000 0.994 338 D CA 1.554 55.480 54.000 -0.123 0.000 0.828 338 D CB -0.501 40.233 40.800 -0.110 0.000 0.963 338 D HN 0.563 nan 8.370 nan 0.000 0.450 339 I N -1.121 119.226 120.570 -0.371 0.000 2.493 339 I HA -0.074 4.096 4.170 -0.000 0.000 0.254 339 I C 2.241 178.235 176.117 -0.205 0.000 1.160 339 I CA 1.289 62.381 61.300 -0.347 0.000 1.445 339 I CB -0.254 37.436 38.000 -0.517 0.000 1.086 339 I HN -0.140 nan 8.210 nan 0.000 0.433 340 A N 2.189 124.897 122.820 -0.187 0.000 1.883 340 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 340 A C 2.198 179.732 177.584 -0.082 0.000 1.186 340 A CA 2.185 54.139 52.037 -0.139 0.000 0.624 340 A CB -1.112 17.778 19.000 -0.185 0.000 0.822 340 A HN 0.640 nan 8.150 nan 0.000 0.444 341 N N -0.409 118.254 118.700 -0.062 0.000 2.061 341 N HA -0.236 4.504 4.740 -0.000 0.000 0.193 341 N C 1.996 177.477 175.510 -0.048 0.000 1.030 341 N CA 1.903 54.929 53.050 -0.041 0.000 0.856 341 N CB -0.307 38.163 38.487 -0.029 0.000 1.023 341 N HN 0.658 nan 8.380 nan 0.000 0.424 342 Q N 0.527 120.286 119.800 -0.068 0.000 2.096 342 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 342 Q C 2.161 178.133 176.000 -0.046 0.000 0.982 342 Q CA 1.084 56.853 55.803 -0.056 0.000 0.850 342 Q CB -0.079 28.616 28.738 -0.072 0.000 0.901 342 Q HN 0.224 nan 8.270 nan 0.000 0.422 343 L N -0.061 121.126 121.223 -0.060 0.000 2.093 343 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 343 L C 2.176 179.026 176.870 -0.035 0.000 1.085 343 L CA 1.409 56.222 54.840 -0.044 0.000 0.755 343 L CB -0.713 41.315 42.059 -0.053 0.000 0.904 343 L HN 0.191 nan 8.230 nan 0.000 0.435 344 A N -0.473 122.324 122.820 -0.039 0.000 1.849 344 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 344 A C 2.367 179.939 177.584 -0.020 0.000 1.202 344 A CA 2.870 54.889 52.037 -0.030 0.000 0.629 344 A CB -1.373 17.611 19.000 -0.027 0.000 0.834 344 A HN 0.472 nan 8.150 nan 0.000 0.447 345 T N -0.290 114.255 114.554 -0.014 0.000 2.699 345 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 345 T C 1.403 176.099 174.700 -0.006 0.000 1.036 345 T CA 1.582 63.680 62.100 -0.004 0.000 1.147 345 T CB -0.565 68.300 68.868 -0.004 0.000 0.862 345 T HN 0.446 nan 8.240 nan 0.000 0.446 346 D N 1.521 121.916 120.400 -0.008 0.000 2.144 346 D HA 0.053 4.693 4.640 -0.000 0.000 0.200 346 D C 2.418 178.717 176.300 -0.003 0.000 0.978 346 D CA 1.226 55.225 54.000 -0.001 0.000 0.833 346 D CB -0.482 40.320 40.800 0.003 0.000 0.961 346 D HN 0.496 nan 8.370 nan 0.000 0.470 347 A N 0.434 123.246 122.820 -0.012 0.000 1.930 347 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 347 A C 2.486 180.045 177.584 -0.043 0.000 1.175 347 A CA 0.853 52.878 52.037 -0.019 0.000 0.627 347 A CB -0.553 18.432 19.000 -0.025 0.000 0.815 347 A HN 0.136 nan 8.150 nan 0.000 0.443 348 V N -0.295 119.599 119.914 -0.033 0.000 2.427 348 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 348 V C 2.721 178.789 176.094 -0.043 0.000 1.051 348 V CA 2.305 64.584 62.300 -0.035 0.000 1.048 348 V CB -0.533 31.297 31.823 0.011 0.000 0.666 348 V HN 0.705 nan 8.190 nan 0.000 0.456 349 Q N 0.372 120.158 119.800 -0.024 0.000 2.020 349 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 349 Q C 1.939 177.928 176.000 -0.018 0.000 0.982 349 Q CA 2.073 57.863 55.803 -0.021 0.000 0.838 349 Q CB -0.471 28.262 28.738 -0.008 0.000 0.899 349 Q HN 0.629 nan 8.270 nan 0.000 0.423 350 I N -0.194 120.374 120.570 -0.003 0.000 2.335 350 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 350 I C 1.279 177.396 176.117 -0.001 0.000 1.129 350 I CA 0.657 61.980 61.300 0.038 0.000 1.402 350 I CB -0.099 37.945 38.000 0.073 0.000 1.069 350 I HN 0.184 nan 8.210 nan 0.000 0.424 351 L N 0.585 121.692 121.223 -0.194 0.000 2.627 351 L HA 0.211 4.551 4.340 -0.000 0.000 0.233 351 L C 1.412 178.049 176.870 -0.390 0.000 1.144 351 L CA 0.555 55.037 54.840 -0.597 0.000 0.892 351 L CB -1.116 40.456 42.059 -0.810 0.000 1.039 351 L HN 0.355 nan 8.230 nan 0.000 0.442 352 G N -0.289 108.426 108.800 -0.141 0.000 2.582 352 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.300 352 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.300 352 G C 1.165 176.001 174.900 -0.106 0.000 1.300 352 G CA 0.124 45.176 45.100 -0.080 0.000 0.959 352 G HN 0.434 nan 8.290 nan 0.000 0.548 353 G N -0.063 108.694 108.800 -0.072 0.000 2.624 353 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.221 353 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.221 353 G C 1.647 176.508 174.900 -0.066 0.000 1.169 353 G CA 1.874 46.950 45.100 -0.041 0.000 0.771 353 G HN 0.835 nan 8.290 nan 0.000 0.598 354 N N 1.166 119.732 118.700 -0.223 0.000 2.060 354 N HA -0.149 4.591 4.740 -0.000 0.000 0.195 354 N C 2.346 177.594 175.510 -0.435 0.000 1.028 354 N CA 1.626 54.379 53.050 -0.496 0.000 0.861 354 N CB -1.027 36.826 38.487 -1.056 0.000 1.029 354 N HN 0.366 nan 8.380 nan 0.000 0.428 355 G N 0.022 108.608 108.800 -0.356 0.000 2.476 355 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 355 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 355 G C 1.336 176.225 174.900 -0.018 0.000 1.164 355 G CA 0.402 45.379 45.100 -0.206 0.000 0.768 355 G HN 0.339 nan 8.290 nan 0.000 0.560 356 F N 1.694 121.569 119.950 -0.126 0.000 2.546 356 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 356 F C 1.213 176.991 175.800 -0.037 0.000 1.120 356 F CA -0.185 57.773 58.000 -0.069 0.000 1.456 356 F CB -0.073 38.889 39.000 -0.062 0.000 1.088 356 F HN 0.068 nan 8.300 nan 0.000 0.572 357 N N -0.311 118.390 118.700 0.003 0.000 2.493 357 N HA -0.030 4.710 4.740 -0.000 0.000 0.275 357 N C 0.713 176.218 175.510 -0.009 0.000 1.186 357 N CA 0.330 53.375 53.050 -0.008 0.000 0.978 357 N CB 1.616 40.162 38.487 0.100 0.000 1.184 357 N HN -0.053 nan 8.380 nan 0.000 0.487 358 T N 1.172 115.709 114.554 -0.028 0.000 3.100 358 T HA 0.070 4.419 4.350 -0.000 0.000 0.253 358 T C 0.948 175.645 174.700 -0.006 0.000 1.118 358 T CA 0.738 62.813 62.100 -0.042 0.000 1.058 358 T CB 0.080 68.907 68.868 -0.068 0.000 0.953 358 T HN 0.530 nan 8.240 nan 0.000 0.515 359 E N -0.701 119.520 120.200 0.036 0.000 2.452 359 E HA 0.096 4.446 4.350 -0.000 0.000 0.197 359 E C -0.444 176.107 176.600 -0.082 0.000 1.022 359 E CA 0.059 56.445 56.400 -0.023 0.000 0.890 359 E CB 0.461 30.138 29.700 -0.037 0.000 0.918 359 E HN 0.469 nan 8.360 nan 0.000 0.496 360 Y N 0.831 121.104 120.300 -0.045 0.000 2.354 360 Y HA 0.118 4.668 4.550 -0.000 0.000 0.322 360 Y C -1.299 174.566 175.900 -0.058 0.000 1.253 360 Y CA -2.138 55.932 58.100 -0.050 0.000 1.272 360 Y CB 0.651 39.066 38.460 -0.075 0.000 1.255 360 Y HN -0.100 nan 8.280 nan 0.000 0.500 361 P HA -0.091 nan 4.420 nan 0.000 0.227 361 P C 1.214 178.517 177.300 0.005 0.000 1.161 361 P CA 1.200 64.311 63.100 0.019 0.000 0.788 361 P CB 0.106 31.805 31.700 -0.001 0.000 0.822 362 V N -1.013 118.912 119.914 0.018 0.000 2.594 362 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 362 V C 2.490 178.569 176.094 -0.024 0.000 1.069 362 V CA 1.955 64.244 62.300 -0.018 0.000 1.082 362 V CB -1.423 30.379 31.823 -0.035 0.000 0.680 362 V HN 0.065 nan 8.190 nan 0.000 0.469 363 E N 1.764 121.952 120.200 -0.021 0.000 2.047 363 E HA -0.292 4.058 4.350 -0.000 0.000 0.191 363 E C 2.260 178.832 176.600 -0.046 0.000 0.987 363 E CA 1.926 58.301 56.400 -0.042 0.000 0.799 363 E CB -0.253 29.401 29.700 -0.076 0.000 0.752 363 E HN 0.719 nan 8.360 nan 0.000 0.449 364 K N 0.482 120.858 120.400 -0.040 0.000 2.059 364 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 364 K C 2.502 179.083 176.600 -0.033 0.000 1.050 364 K CA 1.903 58.168 56.287 -0.036 0.000 0.927 364 K CB -0.259 32.224 32.500 -0.028 0.000 0.714 364 K HN 0.175 nan 8.250 nan 0.000 0.447 365 L N 0.235 121.438 121.223 -0.033 0.000 2.079 365 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 365 L C 2.750 179.606 176.870 -0.022 0.000 1.081 365 L CA 1.407 56.229 54.840 -0.031 0.000 0.752 365 L CB -0.410 41.620 42.059 -0.048 0.000 0.896 365 L HN 0.408 nan 8.230 nan 0.000 0.433 366 M N -0.262 119.323 119.600 -0.024 0.000 2.080 366 M HA -0.229 4.250 4.480 -0.000 0.000 0.260 366 M C 2.528 178.812 176.300 -0.026 0.000 1.068 366 M CA 1.812 57.100 55.300 -0.019 0.000 1.109 366 M CB -0.052 32.542 32.600 -0.010 0.000 1.342 366 M HN 0.069 nan 8.290 nan 0.000 0.405 367 R N 0.103 120.581 120.500 -0.037 0.000 2.066 367 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 367 R C 1.755 178.020 176.300 -0.058 0.000 1.131 367 R CA 1.722 57.792 56.100 -0.050 0.000 0.955 367 R CB -0.540 29.727 30.300 -0.054 0.000 0.851 367 R HN 0.471 nan 8.270 nan 0.000 0.432 368 D N 0.657 121.033 120.400 -0.041 0.000 2.144 368 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 368 D C 1.768 178.060 176.300 -0.013 0.000 0.978 368 D CA 1.365 55.341 54.000 -0.039 0.000 0.833 368 D CB -0.241 40.563 40.800 0.006 0.000 0.961 368 D HN 0.231 nan 8.370 nan 0.000 0.470 369 A N 0.826 123.669 122.820 0.038 0.000 2.019 369 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 369 A C 2.060 179.684 177.584 0.067 0.000 1.164 369 A CA 1.564 53.676 52.037 0.125 0.000 0.644 369 A CB -0.340 18.692 19.000 0.054 0.000 0.805 369 A HN 0.051 nan 8.150 nan 0.000 0.449 370 K N -0.076 120.301 120.400 -0.039 0.000 2.103 370 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 370 K C 1.483 177.987 176.600 -0.160 0.000 1.048 370 K CA 1.291 57.530 56.287 -0.080 0.000 0.930 370 K CB -0.571 31.871 32.500 -0.097 0.000 0.716 370 K HN 0.311 nan 8.250 nan 0.000 0.444 371 I N 0.529 120.914 120.570 -0.309 0.000 2.399 371 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 371 I C 1.187 176.976 176.117 -0.546 0.000 1.146 371 I CA 1.451 62.402 61.300 -0.582 0.000 1.412 371 I CB -0.372 37.048 38.000 -0.967 0.000 1.076 371 I HN 0.255 nan 8.210 nan 0.000 0.432 372 Y N -0.059 120.141 120.300 -0.167 0.000 2.574 372 Y HA -0.119 4.431 4.550 -0.000 0.000 0.294 372 Y C 2.038 177.939 175.900 0.002 0.000 1.142 372 Y CA 0.758 58.851 58.100 -0.012 0.000 1.314 372 Y CB -0.259 38.202 38.460 0.001 0.000 0.991 372 Y HN 0.337 nan 8.280 nan 0.000 0.555 373 Q N -0.909 118.920 119.800 0.047 0.000 2.247 373 Q HA 0.204 4.544 4.340 -0.000 0.000 0.204 373 Q C 0.861 176.851 176.000 -0.016 0.000 0.872 373 Q CA 0.241 56.058 55.803 0.023 0.000 0.951 373 Q CB 0.556 29.294 28.738 -0.000 0.000 1.099 373 Q HN 0.567 nan 8.270 nan 0.000 0.501 374 I N -1.151 119.392 120.570 -0.045 0.000 3.669 374 I HA 0.043 4.213 4.170 -0.000 0.000 0.255 374 I C 0.229 176.366 176.117 0.032 0.000 1.144 374 I CA -0.461 60.803 61.300 -0.061 0.000 1.447 374 I CB 0.168 38.073 38.000 -0.158 0.000 1.622 374 I HN 0.061 nan 8.210 nan 0.000 0.435 375 Y N 2.789 122.991 120.300 -0.163 0.000 2.357 375 Y HA 0.255 4.805 4.550 -0.000 0.000 0.340 375 Y C 0.574 176.406 175.900 -0.113 0.000 1.260 375 Y CA -1.775 56.244 58.100 -0.136 0.000 1.425 375 Y CB -0.376 38.001 38.460 -0.139 0.000 1.326 375 Y HN 0.336 nan 8.280 nan 0.000 0.580 376 E N 0.504 120.670 120.200 -0.057 0.000 2.637 376 E HA -0.144 4.206 4.350 -0.000 0.000 0.265 376 E C 0.292 176.758 176.600 -0.223 0.000 1.073 376 E CA 1.064 57.330 56.400 -0.223 0.000 0.778 376 E CB -1.756 27.757 29.700 -0.313 0.000 1.362 376 E HN 1.519 nan 8.360 nan 0.000 0.413 377 G N 0.128 108.838 108.800 -0.149 0.000 3.225 377 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 377 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 377 G C 0.144 175.011 174.900 -0.056 0.000 1.105 377 G CA -0.120 44.893 45.100 -0.145 0.000 0.831 377 G HN 0.518 nan 8.290 nan 0.000 0.578 378 T N 0.127 114.658 114.554 -0.038 0.000 2.788 378 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 378 T C 1.866 176.562 174.700 -0.007 0.000 1.007 378 T CA 0.756 62.847 62.100 -0.016 0.000 1.005 378 T CB 1.400 70.258 68.868 -0.017 0.000 1.012 378 T HN 1.071 nan 8.240 nan 0.000 0.530 379 S N 0.723 116.425 115.700 0.003 0.000 2.374 379 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 379 S C 2.201 176.804 174.600 0.006 0.000 1.037 379 S CA 1.652 59.857 58.200 0.010 0.000 1.024 379 S CB -0.587 62.619 63.200 0.009 0.000 0.861 379 S HN 0.751 nan 8.310 nan 0.000 0.456 380 Q N 0.799 120.599 119.800 0.001 0.000 1.967 380 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 380 Q C 2.303 178.304 176.000 0.003 0.000 0.985 380 Q CA 1.651 57.456 55.803 0.004 0.000 0.839 380 Q CB -0.646 28.095 28.738 0.004 0.000 0.906 380 Q HN 0.758 nan 8.270 nan 0.000 0.423 381 I N -0.777 119.790 120.570 -0.005 0.000 2.394 381 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 381 I C 1.575 177.683 176.117 -0.015 0.000 1.136 381 I CA 1.332 62.627 61.300 -0.008 0.000 1.425 381 I CB -0.538 37.454 38.000 -0.014 0.000 1.079 381 I HN 0.025 nan 8.210 nan 0.000 0.425 382 Q N 1.662 121.449 119.800 -0.022 0.000 2.077 382 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 382 Q C 2.429 178.427 176.000 -0.002 0.000 0.989 382 Q CA 2.214 58.007 55.803 -0.016 0.000 0.853 382 Q CB -0.673 28.062 28.738 -0.005 0.000 0.907 382 Q HN 0.647 nan 8.270 nan 0.000 0.418 383 R N 0.184 120.686 120.500 0.003 0.000 2.096 383 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 383 R C 2.575 178.886 176.300 0.019 0.000 1.127 383 R CA 0.793 56.896 56.100 0.006 0.000 0.968 383 R CB -0.375 29.929 30.300 0.007 0.000 0.861 383 R HN 0.208 nan 8.270 nan 0.000 0.440 384 L N 0.437 121.674 121.223 0.023 0.000 2.012 384 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 384 L C 2.367 179.268 176.870 0.052 0.000 1.073 384 L CA 1.416 56.278 54.840 0.037 0.000 0.748 384 L CB -0.486 41.593 42.059 0.035 0.000 0.891 384 L HN 0.195 nan 8.230 nan 0.000 0.431 385 I N -0.840 119.757 120.570 0.044 0.000 2.142 385 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 385 I C 2.476 178.648 176.117 0.092 0.000 1.078 385 I CA 1.203 62.540 61.300 0.062 0.000 1.343 385 I CB -0.369 37.655 38.000 0.040 0.000 1.046 385 I HN 0.015 nan 8.210 nan 0.000 0.405 386 V N 1.077 121.029 119.914 0.063 0.000 2.343 386 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 386 V C 2.704 178.897 176.094 0.166 0.000 1.051 386 V CA 1.978 64.327 62.300 0.082 0.000 1.036 386 V CB -1.102 30.689 31.823 -0.053 0.000 0.654 386 V HN 0.502 nan 8.190 nan 0.000 0.451 387 A N -0.199 122.689 122.820 0.113 0.000 1.858 387 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 387 A C 2.405 180.089 177.584 0.167 0.000 1.190 387 A CA 2.002 54.126 52.037 0.145 0.000 0.617 387 A CB -0.627 18.425 19.000 0.086 0.000 0.827 387 A HN 0.433 nan 8.150 nan 0.000 0.443 388 R N -0.486 120.088 120.500 0.122 0.000 2.136 388 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 388 R C 2.044 178.421 176.300 0.128 0.000 1.131 388 R CA 2.011 58.176 56.100 0.108 0.000 0.937 388 R CB -0.340 30.017 30.300 0.095 0.000 0.863 388 R HN 0.536 nan 8.270 nan 0.000 0.435 389 E N -0.809 119.491 120.200 0.166 0.000 2.204 389 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 389 E C 1.784 178.463 176.600 0.132 0.000 0.990 389 E CA 1.286 57.776 56.400 0.150 0.000 0.821 389 E CB -0.360 29.470 29.700 0.216 0.000 0.750 389 E HN 0.555 nan 8.360 nan 0.000 0.477 390 H N 1.055 120.206 119.070 0.136 0.000 2.294 390 H HA -0.029 4.527 4.556 -0.000 0.000 0.306 390 H C 1.958 177.392 175.328 0.177 0.000 1.065 390 H CA 1.211 57.352 56.048 0.156 0.000 1.343 390 H CB -0.165 29.718 29.762 0.203 0.000 1.396 390 H HN -0.059 nan 8.280 nan 0.000 0.506 391 I N 1.594 122.129 120.570 -0.058 0.000 2.181 391 I HA -0.295 3.875 4.170 -0.000 0.000 0.247 391 I C 1.611 177.739 176.117 0.018 0.000 1.081 391 I CA 1.586 62.833 61.300 -0.089 0.000 1.340 391 I CB -1.316 36.686 38.000 0.003 0.000 1.036 391 I HN 0.387 nan 8.210 nan 0.000 0.417 392 D N 0.925 121.343 120.400 0.029 0.000 2.178 392 D HA -0.162 4.477 4.640 -0.000 0.000 0.201 392 D C 2.168 178.471 176.300 0.005 0.000 0.980 392 D CA 0.926 54.940 54.000 0.023 0.000 0.842 392 D CB -0.274 40.538 40.800 0.021 0.000 0.948 392 D HN 0.373 nan 8.370 nan 0.000 0.472 393 K N -0.520 119.866 120.400 -0.022 0.000 2.218 393 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 393 K C 1.075 177.562 176.600 -0.189 0.000 1.046 393 K CA 1.013 57.216 56.287 -0.140 0.000 0.933 393 K CB -0.104 32.233 32.500 -0.272 0.000 0.728 393 K HN 0.368 nan 8.250 nan 0.000 0.454 394 Y N 0.568 120.783 120.300 -0.142 0.000 2.507 394 Y HA 0.101 4.651 4.550 -0.000 0.000 0.254 394 Y C 0.257 176.116 175.900 -0.068 0.000 1.171 394 Y CA -0.703 57.334 58.100 -0.104 0.000 1.238 394 Y CB 0.416 38.798 38.460 -0.130 0.000 1.148 394 Y HN -0.058 nan 8.280 nan 0.000 0.525 395 K N -0.045 120.405 120.400 0.082 0.000 2.313 395 K HA 0.615 4.934 4.320 -0.000 0.000 0.235 395 K C -1.222 175.390 176.600 0.020 0.000 1.035 395 K CA -0.904 55.411 56.287 0.046 0.000 0.868 395 K CB 1.659 34.182 32.500 0.038 0.000 1.232 395 K HN -0.046 nan 8.250 nan 0.000 0.459 396 N N 0.000 118.710 118.700 0.017 0.000 1.763 396 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 396 N CA 0.000 53.056 53.050 0.009 0.000 0.885 396 N CB 0.000 38.492 38.487 0.009 0.000 1.341 396 N HN 0.000 nan 8.380 nan 0.000 0.667