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 2v3p_1_A DATA FIRST_RESID 1 DATA SEQUENCE NIcEITEVDS TLVERLGQRL LPWMDRLSQE QLNPSIYVGL RLSSLQAGAK DATA SEQUENCE EAHYLHSLKL SYQQSLLRPA SNKDDNDSEA KPSMGQLALY LLALRANcEF DATA SEQUENCE IGGRKGDRLV SQLKRFLEDE KRAIGHNHQG HPRTSYYQYS LGILALcVHQ DATA SEQUENCE KRVHDSVVGK LLYAVEHXXX XXXXXXSVDT MAMAGMAFSc LELSNLNPKQ DATA SEQUENCE RNRINLALKR VQEKILKAQT PEGYFGNVYS TPLALQLLMG SLRPSVELGT DATA SEQUENCE AcLKAKAALQ ASLQHKTFQN PLMISQLLPV LNQKSYVDLI SPDcQAPRAL DATA SEQUENCE LEPALETPPQ AKVPKFIDVL LKVSGISPSY RHSVSVPAGS SLEDILKNAQ DATA SEQUENCE EHGRFRFRTQ ASLSGPFLTS VLGRKAGERE FWQVLRDPDT PLQQGIADYR DATA SEQUENCE PKDGETIELR LVGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.515 175.510 0.008 0.000 1.280 1 N CA 0.000 53.053 53.050 0.005 0.000 0.885 1 N CB 0.000 38.490 38.487 0.005 0.000 1.341 2 I N 1.523 122.100 120.570 0.012 0.000 2.500 2 I HA -0.002 4.170 4.170 0.003 0.000 0.252 2 I C 1.624 177.756 176.117 0.024 0.000 1.142 2 I CA 1.014 62.323 61.300 0.016 0.000 1.451 2 I CB 0.199 38.209 38.000 0.017 0.000 1.093 2 I HN 0.611 nan 8.210 nan 0.000 0.430 3 c N 1.287 119.904 118.600 0.028 0.000 2.673 3 c HA 0.176 4.748 4.570 0.003 0.000 0.274 3 c C 0.721 174.832 174.090 0.035 0.000 1.276 3 c CA -0.375 55.981 56.329 0.044 0.000 1.701 3 c CB -1.807 40.731 42.510 0.046 0.000 1.836 3 c HN 0.348 nan 8.230 nan 0.000 0.596 4 E N 0.902 121.113 120.200 0.019 0.000 2.216 4 E HA 0.275 4.627 4.350 0.003 0.000 0.279 4 E C -0.257 176.346 176.600 0.005 0.000 0.997 4 E CA -0.404 56.001 56.400 0.009 0.000 0.817 4 E CB 0.911 30.611 29.700 0.001 0.000 1.096 4 E HN 0.204 nan 8.360 nan 0.000 0.393 5 I N 3.500 124.069 120.570 -0.001 0.000 2.576 5 I HA -0.087 4.085 4.170 0.003 0.000 0.288 5 I C 1.492 177.601 176.117 -0.012 0.000 1.126 5 I CA 0.849 62.144 61.300 -0.009 0.000 1.362 5 I CB 0.283 38.272 38.000 -0.019 0.000 1.419 5 I HN 0.685 nan 8.210 nan 0.000 0.533 6 T N 4.866 119.414 114.554 -0.010 0.000 2.901 6 T HA -0.012 4.340 4.350 0.003 0.000 0.252 6 T C 0.727 175.419 174.700 -0.014 0.000 1.035 6 T CA 0.667 62.761 62.100 -0.011 0.000 1.142 6 T CB 0.268 69.131 68.868 -0.007 0.000 0.869 6 T HN 0.478 nan 8.240 nan 0.000 0.442 7 E N 1.157 121.349 120.200 -0.014 0.000 2.133 7 E HA 0.521 4.873 4.350 0.003 0.000 0.274 7 E C -1.397 175.192 176.600 -0.019 0.000 0.930 7 E CA -0.569 55.822 56.400 -0.015 0.000 0.770 7 E CB 1.509 31.201 29.700 -0.013 0.000 1.104 7 E HN 0.330 nan 8.360 nan 0.000 0.403 8 V N 1.531 121.432 119.914 -0.021 0.000 2.817 8 V HA 0.379 4.501 4.120 0.003 0.000 0.303 8 V C -0.598 175.482 176.094 -0.023 0.000 1.151 8 V CA -1.317 60.968 62.300 -0.025 0.000 0.929 8 V CB 1.790 33.593 31.823 -0.033 0.000 1.030 8 V HN 0.588 nan 8.190 nan 0.000 0.427 9 D N 3.143 123.529 120.400 -0.023 0.000 2.401 9 D HA 0.150 4.792 4.640 0.003 0.000 0.254 9 D C 1.549 177.836 176.300 -0.021 0.000 1.192 9 D CA 1.059 55.046 54.000 -0.021 0.000 0.885 9 D CB 1.975 42.763 40.800 -0.021 0.000 1.147 9 D HN 0.898 nan 8.370 nan 0.000 0.478 10 S N 2.023 117.712 115.700 -0.018 0.000 2.400 10 S HA -0.236 4.236 4.470 0.003 0.000 0.232 10 S C 1.753 176.344 174.600 -0.016 0.000 1.025 10 S CA 1.804 59.993 58.200 -0.017 0.000 0.993 10 S CB -0.673 62.519 63.200 -0.015 0.000 0.808 10 S HN 0.617 nan 8.310 nan 0.000 0.478 11 T N 0.313 114.858 114.554 -0.014 0.000 2.985 11 T HA 0.208 4.561 4.350 0.003 0.000 0.266 11 T C 1.826 176.520 174.700 -0.010 0.000 1.076 11 T CA 0.782 62.875 62.100 -0.010 0.000 1.135 11 T CB -0.642 68.221 68.868 -0.009 0.000 0.890 11 T HN 0.376 nan 8.240 nan 0.000 0.480 12 L N 0.824 122.037 121.223 -0.016 0.000 1.994 12 L HA -0.048 4.295 4.340 0.003 0.000 0.208 12 L C 2.940 179.799 176.870 -0.019 0.000 1.071 12 L CA 1.018 55.848 54.840 -0.017 0.000 0.745 12 L CB -0.693 41.352 42.059 -0.024 0.000 0.892 12 L HN 0.139 nan 8.230 nan 0.000 0.431 13 V N -0.502 119.396 119.914 -0.027 0.000 2.407 13 V HA -0.265 3.858 4.120 0.003 0.000 0.248 13 V C 2.533 178.615 176.094 -0.020 0.000 1.055 13 V CA 1.707 63.987 62.300 -0.033 0.000 1.049 13 V CB -0.543 31.257 31.823 -0.037 0.000 0.662 13 V HN 0.471 nan 8.190 nan 0.000 0.455 14 E N 0.186 120.378 120.200 -0.013 0.000 2.110 14 E HA -0.211 4.141 4.350 0.003 0.000 0.193 14 E C 2.495 179.097 176.600 0.004 0.000 0.988 14 E CA 1.124 57.521 56.400 -0.005 0.000 0.804 14 E CB -0.021 29.676 29.700 -0.004 0.000 0.745 14 E HN 0.508 nan 8.360 nan 0.000 0.458 15 R N 0.011 120.515 120.500 0.007 0.000 2.066 15 R HA -0.081 4.261 4.340 0.003 0.000 0.232 15 R C 2.698 179.016 176.300 0.031 0.000 1.131 15 R CA 0.903 57.015 56.100 0.020 0.000 0.955 15 R CB -0.314 29.998 30.300 0.020 0.000 0.851 15 R HN 0.201 nan 8.270 nan 0.000 0.432 16 L N -0.569 120.667 121.223 0.021 0.000 2.012 16 L HA -0.168 4.174 4.340 0.003 0.000 0.210 16 L C 2.556 179.445 176.870 0.030 0.000 1.073 16 L CA 1.631 56.487 54.840 0.027 0.000 0.748 16 L CB -0.822 41.228 42.059 -0.013 0.000 0.891 16 L HN 0.396 nan 8.230 nan 0.000 0.431 17 G N -1.273 107.535 108.800 0.012 0.000 2.442 17 G HA2 -0.322 3.640 3.960 0.003 0.000 0.219 17 G HA3 -0.322 3.640 3.960 0.003 0.000 0.219 17 G C 1.513 176.433 174.900 0.034 0.000 1.141 17 G CA 0.626 45.734 45.100 0.013 0.000 0.763 17 G HN 0.339 nan 8.290 nan 0.000 0.554 18 Q N -0.312 119.511 119.800 0.038 0.000 2.224 18 Q HA 0.058 4.400 4.340 0.003 0.000 0.203 18 Q C 2.643 178.690 176.000 0.080 0.000 0.970 18 Q CA 0.730 56.562 55.803 0.048 0.000 0.865 18 Q CB -0.026 28.734 28.738 0.038 0.000 0.922 18 Q HN 0.425 nan 8.270 nan 0.000 0.445 19 R N -0.723 119.835 120.500 0.097 0.000 2.189 19 R HA -0.035 4.307 4.340 0.003 0.000 0.223 19 R C 1.737 178.177 176.300 0.233 0.000 1.092 19 R CA 0.831 57.022 56.100 0.150 0.000 0.989 19 R CB 0.052 30.437 30.300 0.142 0.000 0.876 19 R HN 0.289 nan 8.270 nan 0.000 0.457 20 L N -0.270 121.056 121.223 0.173 0.000 2.307 20 L HA -0.044 4.298 4.340 0.003 0.000 0.211 20 L C 1.941 178.945 176.870 0.224 0.000 1.099 20 L CA -0.023 54.940 54.840 0.205 0.000 0.816 20 L CB -0.217 41.881 42.059 0.065 0.000 0.952 20 L HN 0.152 nan 8.230 nan 0.000 0.455 21 L N 1.528 122.831 121.223 0.133 0.000 2.013 21 L HA -0.134 4.208 4.340 0.003 0.000 0.212 21 L C -0.400 176.521 176.870 0.085 0.000 1.073 21 L CA 2.342 57.232 54.840 0.084 0.000 0.753 21 L CB -1.573 40.517 42.059 0.051 0.000 0.890 21 L HN 0.098 nan 8.230 nan 0.000 0.432 22 P HA -0.159 nan 4.420 nan 0.000 0.222 22 P C 0.941 178.185 177.300 -0.092 0.000 1.147 22 P CA 1.415 64.477 63.100 -0.062 0.000 0.790 22 P CB -0.266 31.329 31.700 -0.175 0.000 0.780 23 W N -1.668 119.652 121.300 0.034 0.000 2.699 23 W HA 0.041 4.703 4.660 0.004 0.000 0.249 23 W C 1.973 178.554 176.519 0.102 0.000 1.280 23 W CA 0.392 57.778 57.345 0.068 0.000 1.345 23 W CB -0.820 28.674 29.460 0.057 0.000 1.128 23 W HN -0.111 nan 8.180 nan 0.000 0.642 24 M N -0.390 119.326 119.600 0.193 0.000 2.374 24 M HA -0.108 4.374 4.480 0.003 0.000 0.264 24 M C 0.667 177.120 176.300 0.255 0.000 1.067 24 M CA 1.349 56.742 55.300 0.154 0.000 1.103 24 M CB -0.997 31.636 32.600 0.056 0.000 1.402 24 M HN -0.053 nan 8.290 nan 0.000 0.444 25 D N 0.201 120.689 120.400 0.148 0.000 2.340 25 D HA 0.051 4.693 4.640 0.003 0.000 0.220 25 D C 0.342 176.699 176.300 0.094 0.000 1.039 25 D CA 0.308 54.364 54.000 0.093 0.000 0.866 25 D CB 0.166 40.977 40.800 0.018 0.000 0.913 25 D HN 0.288 nan 8.370 nan 0.000 0.523 26 R N 0.944 121.544 120.500 0.166 0.000 2.522 26 R HA 0.345 4.687 4.340 0.003 0.000 0.290 26 R C 0.805 177.226 176.300 0.202 0.000 1.216 26 R CA -0.095 56.090 56.100 0.141 0.000 1.250 26 R CB 0.564 30.924 30.300 0.100 0.000 1.143 26 R HN -0.003 nan 8.270 nan 0.000 0.553 27 L N 0.651 121.935 121.223 0.103 0.000 2.640 27 L HA 0.127 4.469 4.340 0.003 0.000 0.230 27 L C 0.895 177.768 176.870 0.006 0.000 1.123 27 L CA -0.112 54.749 54.840 0.034 0.000 0.900 27 L CB 0.256 42.324 42.059 0.015 0.000 1.146 27 L HN 0.435 nan 8.230 nan 0.000 0.484 28 S N -0.675 115.045 115.700 0.033 0.000 2.569 28 S HA -0.097 4.375 4.470 0.003 0.000 0.274 28 S C 1.100 175.710 174.600 0.018 0.000 1.353 28 S CA -0.130 58.082 58.200 0.020 0.000 1.023 28 S CB 1.040 64.258 63.200 0.030 0.000 0.876 28 S HN 0.320 nan 8.310 nan 0.000 0.540 29 Q N 0.669 120.467 119.800 -0.003 0.000 2.197 29 Q HA -0.195 4.147 4.340 0.003 0.000 0.207 29 Q C 1.785 177.789 176.000 0.008 0.000 0.984 29 Q CA 2.034 57.827 55.803 -0.015 0.000 0.869 29 Q CB -0.130 28.582 28.738 -0.043 0.000 0.906 29 Q HN 0.872 nan 8.270 nan 0.000 0.426 30 E N -0.695 119.524 120.200 0.030 0.000 2.318 30 E HA -0.103 4.249 4.350 0.003 0.000 0.193 30 E C 1.690 178.358 176.600 0.113 0.000 0.998 30 E CA 0.372 56.805 56.400 0.056 0.000 0.859 30 E CB 0.258 29.990 29.700 0.053 0.000 0.812 30 E HN 0.434 nan 8.360 nan 0.000 0.492 31 Q N 0.075 119.963 119.800 0.146 0.000 2.339 31 Q HA 0.138 4.480 4.340 0.003 0.000 0.205 31 Q C 0.531 176.688 176.000 0.263 0.000 0.925 31 Q CA -0.027 55.932 55.803 0.259 0.000 0.898 31 Q CB 0.495 29.406 28.738 0.288 0.000 1.013 31 Q HN 0.168 nan 8.270 nan 0.000 0.504 32 L N 2.475 123.788 121.223 0.150 0.000 2.525 32 L HA 0.005 4.347 4.340 0.003 0.000 0.278 32 L C 0.101 177.074 176.870 0.172 0.000 1.218 32 L CA 0.114 55.000 54.840 0.076 0.000 0.878 32 L CB 0.148 42.171 42.059 -0.061 0.000 1.127 32 L HN 0.160 nan 8.230 nan 0.000 0.492 33 N N 5.203 124.066 118.700 0.272 0.000 2.607 33 N HA 0.229 4.971 4.740 0.003 0.000 0.271 33 N C -2.109 173.563 175.510 0.271 0.000 1.142 33 N CA -1.584 51.610 53.050 0.240 0.000 0.810 33 N CB 1.813 40.401 38.487 0.169 0.000 1.306 33 N HN 0.122 nan 8.380 nan 0.000 0.536 34 P HA -0.116 nan 4.420 nan 0.000 0.219 34 P C 1.280 178.666 177.300 0.143 0.000 1.146 34 P CA 0.925 64.097 63.100 0.120 0.000 0.808 34 P CB 0.462 32.163 31.700 0.000 0.000 0.779 35 S N -1.011 114.751 115.700 0.104 0.000 2.402 35 S HA -0.062 4.410 4.470 0.003 0.000 0.229 35 S C 1.881 176.533 174.600 0.087 0.000 1.021 35 S CA 0.553 58.798 58.200 0.076 0.000 0.974 35 S CB -0.805 62.440 63.200 0.074 0.000 0.800 35 S HN -0.013 nan 8.310 nan 0.000 0.484 36 I N -0.005 120.616 120.570 0.085 0.000 2.202 36 I HA -0.158 4.014 4.170 0.003 0.000 0.242 36 I C 2.227 178.366 176.117 0.036 0.000 1.091 36 I CA 1.603 62.917 61.300 0.024 0.000 1.368 36 I CB -0.635 37.346 38.000 -0.032 0.000 1.058 36 I HN 0.391 nan 8.210 nan 0.000 0.410 37 Y N 1.595 121.884 120.300 -0.017 0.000 2.181 37 Y HA -0.218 4.334 4.550 0.003 0.000 0.288 37 Y C 2.470 178.366 175.900 -0.006 0.000 1.146 37 Y CA 1.538 59.630 58.100 -0.013 0.000 1.164 37 Y CB -0.281 38.262 38.460 0.137 0.000 0.982 37 Y HN -0.157 nan 8.280 nan 0.000 0.515 38 V N 0.077 120.049 119.914 0.098 0.000 2.261 38 V HA -0.306 3.816 4.120 0.003 0.000 0.246 38 V C 2.665 178.743 176.094 -0.027 0.000 1.047 38 V CA 2.023 64.320 62.300 -0.005 0.000 1.015 38 V CB -1.618 30.193 31.823 -0.020 0.000 0.642 38 V HN 0.628 nan 8.190 nan 0.000 0.446 39 G N -0.291 108.525 108.800 0.028 0.000 2.513 39 G HA2 -0.280 3.682 3.960 0.003 0.000 0.219 39 G HA3 -0.280 3.682 3.960 0.003 0.000 0.219 39 G C 1.615 176.483 174.900 -0.054 0.000 1.160 39 G CA 1.407 46.522 45.100 0.024 0.000 0.767 39 G HN 0.453 nan 8.290 nan 0.000 0.571 40 L N -0.414 120.740 121.223 -0.116 0.000 2.005 40 L HA -0.032 4.310 4.340 0.003 0.000 0.207 40 L C 3.215 179.971 176.870 -0.190 0.000 1.072 40 L CA 0.886 55.635 54.840 -0.152 0.000 0.744 40 L CB -0.310 41.635 42.059 -0.189 0.000 0.895 40 L HN 0.045 nan 8.230 nan 0.000 0.433 41 R N 0.247 120.562 120.500 -0.309 0.000 2.117 41 R HA -0.122 4.220 4.340 0.003 0.000 0.243 41 R C 2.051 178.261 176.300 -0.150 0.000 1.143 41 R CA 1.330 57.258 56.100 -0.288 0.000 0.968 41 R CB -0.915 29.141 30.300 -0.407 0.000 0.863 41 R HN 0.401 nan 8.270 nan 0.000 0.444 42 L N 1.137 122.298 121.223 -0.102 0.000 2.554 42 L HA 0.017 4.359 4.340 0.003 0.000 0.226 42 L C 1.291 178.131 176.870 -0.050 0.000 1.137 42 L CA -0.005 54.804 54.840 -0.051 0.000 0.863 42 L CB -0.249 41.811 42.059 0.002 0.000 0.985 42 L HN 0.116 nan 8.230 nan 0.000 0.451 43 S N -0.923 114.739 115.700 -0.064 0.000 2.632 43 S HA 0.077 4.549 4.470 0.003 0.000 0.267 43 S C 1.167 175.736 174.600 -0.053 0.000 1.193 43 S CA -0.022 58.145 58.200 -0.056 0.000 1.003 43 S CB 1.069 64.234 63.200 -0.058 0.000 1.073 43 S HN 0.203 nan 8.310 nan 0.000 0.553 44 S N -0.811 114.862 115.700 -0.046 0.000 2.557 44 S HA 0.371 4.843 4.470 0.003 0.000 0.223 44 S C 0.048 174.626 174.600 -0.037 0.000 0.969 44 S CA -0.633 57.544 58.200 -0.039 0.000 0.927 44 S CB -0.828 62.352 63.200 -0.033 0.000 0.806 44 S HN 0.543 nan 8.310 nan 0.000 0.489 45 L N 1.498 122.695 121.223 -0.044 0.000 2.334 45 L HA 0.610 4.952 4.340 0.003 0.000 0.273 45 L C -0.376 176.465 176.870 -0.048 0.000 1.013 45 L CA -0.663 54.154 54.840 -0.039 0.000 0.816 45 L CB 2.011 44.050 42.059 -0.034 0.000 1.278 45 L HN 0.209 nan 8.230 nan 0.000 0.431 46 Q N 1.651 121.429 119.800 -0.036 0.000 2.365 46 Q HA 0.689 5.031 4.340 0.003 0.000 0.269 46 Q C -1.052 174.936 176.000 -0.019 0.000 1.061 46 Q CA -0.712 55.069 55.803 -0.036 0.000 0.816 46 Q CB 2.217 30.939 28.738 -0.026 0.000 1.325 46 Q HN 0.731 nan 8.270 nan 0.000 0.446 47 A N 3.419 126.228 122.820 -0.017 0.000 3.249 47 A HA 0.632 4.954 4.320 0.003 0.000 0.297 47 A C 0.632 178.232 177.584 0.027 0.000 1.302 47 A CA 0.254 52.292 52.037 0.002 0.000 1.074 47 A CB -0.747 18.247 19.000 -0.011 0.000 1.132 47 A HN 1.210 nan 8.150 nan 0.000 0.575 48 G N 0.167 108.983 108.800 0.027 0.000 2.682 48 G HA2 0.118 4.080 3.960 0.003 0.000 0.256 48 G HA3 0.118 4.080 3.960 0.003 0.000 0.256 48 G C 0.832 175.763 174.900 0.052 0.000 1.333 48 G CA -0.196 44.928 45.100 0.041 0.000 0.904 48 G HN 1.859 nan 8.290 nan 0.000 0.569 49 A N -0.613 122.246 122.820 0.065 0.000 2.415 49 A HA 0.408 4.730 4.320 0.003 0.000 0.248 49 A C 1.899 179.561 177.584 0.130 0.000 1.299 49 A CA 1.260 53.343 52.037 0.076 0.000 0.899 49 A CB -0.201 18.828 19.000 0.047 0.000 0.997 49 A HN 0.668 nan 8.150 nan 0.000 0.506 50 K N 0.317 120.810 120.400 0.156 0.000 2.228 50 K HA -0.244 4.078 4.320 0.003 0.000 0.205 50 K C 1.484 178.242 176.600 0.264 0.000 1.045 50 K CA 1.853 58.272 56.287 0.221 0.000 0.931 50 K CB -0.061 32.532 32.500 0.155 0.000 0.727 50 K HN 0.690 nan 8.250 nan 0.000 0.458 51 E N 0.024 120.354 120.200 0.216 0.000 2.070 51 E HA -0.242 4.110 4.350 0.003 0.000 0.197 51 E C 2.010 178.841 176.600 0.385 0.000 1.004 51 E CA 1.317 57.911 56.400 0.324 0.000 0.805 51 E CB -0.125 29.704 29.700 0.215 0.000 0.744 51 E HN 0.377 nan 8.360 nan 0.000 0.451 52 A N 0.664 123.612 122.820 0.214 0.000 1.877 52 A HA -0.233 4.089 4.320 0.003 0.000 0.216 52 A C 1.741 179.375 177.584 0.083 0.000 1.186 52 A CA 1.862 53.960 52.037 0.102 0.000 0.620 52 A CB -0.935 18.043 19.000 -0.037 0.000 0.822 52 A HN 0.301 nan 8.150 nan 0.000 0.443 53 H N -3.130 116.030 119.070 0.150 0.000 2.387 53 H HA -0.188 4.370 4.556 0.003 0.000 0.299 53 H C 1.926 177.359 175.328 0.174 0.000 1.099 53 H CA 2.168 58.308 56.048 0.152 0.000 1.315 53 H CB -0.211 29.630 29.762 0.131 0.000 1.380 53 H HN 0.638 nan 8.280 nan 0.000 0.513 54 Y N 0.390 120.806 120.300 0.194 0.000 2.089 54 Y HA -0.243 4.309 4.550 0.003 0.000 0.282 54 Y C 2.397 178.261 175.900 -0.060 0.000 1.139 54 Y CA 1.386 59.546 58.100 0.100 0.000 1.123 54 Y CB -0.481 38.074 38.460 0.159 0.000 0.980 54 Y HN 0.175 nan 8.280 nan 0.000 0.493 55 L N -0.498 120.678 121.223 -0.079 0.000 2.083 55 L HA -0.216 4.126 4.340 0.003 0.000 0.209 55 L C 2.297 179.100 176.870 -0.112 0.000 1.083 55 L CA 2.265 56.896 54.840 -0.348 0.000 0.752 55 L CB -1.000 40.748 42.059 -0.518 0.000 0.899 55 L HN 0.351 nan 8.230 nan 0.000 0.433 56 H N -1.318 117.703 119.070 -0.080 0.000 2.353 56 H HA -0.106 4.452 4.556 0.003 0.000 0.300 56 H C 2.346 177.648 175.328 -0.044 0.000 1.090 56 H CA 1.884 57.910 56.048 -0.037 0.000 1.327 56 H CB -0.056 29.703 29.762 -0.006 0.000 1.383 56 H HN 0.369 nan 8.280 nan 0.000 0.508 57 S N -0.290 115.384 115.700 -0.042 0.000 2.368 57 S HA -0.124 4.348 4.470 0.003 0.000 0.225 57 S C 2.272 176.757 174.600 -0.192 0.000 1.030 57 S CA 1.187 59.313 58.200 -0.123 0.000 0.999 57 S CB -0.294 62.829 63.200 -0.128 0.000 0.844 57 S HN 0.322 nan 8.310 nan 0.000 0.459 58 L N 1.188 122.262 121.223 -0.249 0.000 1.970 58 L HA -0.210 4.132 4.340 0.003 0.000 0.212 58 L C 2.544 179.280 176.870 -0.224 0.000 1.071 58 L CA 1.521 56.209 54.840 -0.252 0.000 0.751 58 L CB -0.564 41.324 42.059 -0.286 0.000 0.889 58 L HN 0.247 nan 8.230 nan 0.000 0.432 59 K N -0.334 119.983 120.400 -0.139 0.000 2.015 59 K HA -0.265 4.057 4.320 0.003 0.000 0.216 59 K C 2.019 178.507 176.600 -0.187 0.000 1.052 59 K CA 1.621 57.846 56.287 -0.103 0.000 0.937 59 K CB -0.478 31.977 32.500 -0.076 0.000 0.719 59 K HN 0.053 nan 8.250 nan 0.000 0.446 60 L N 0.910 121.984 121.223 -0.249 0.000 2.042 60 L HA -0.210 4.132 4.340 0.003 0.000 0.210 60 L C 2.645 179.434 176.870 -0.134 0.000 1.076 60 L CA 1.737 56.457 54.840 -0.200 0.000 0.749 60 L CB -0.958 40.969 42.059 -0.220 0.000 0.893 60 L HN 0.232 nan 8.230 nan 0.000 0.432 61 S N -1.869 113.762 115.700 -0.114 0.000 2.362 61 S HA -0.179 4.293 4.470 0.003 0.000 0.221 61 S C 2.130 176.678 174.600 -0.085 0.000 1.032 61 S CA 0.631 58.786 58.200 -0.075 0.000 0.973 61 S CB -0.406 62.774 63.200 -0.034 0.000 0.849 61 S HN 0.390 nan 8.310 nan 0.000 0.465 62 Y N 2.027 122.112 120.300 -0.358 0.000 2.421 62 Y HA 0.054 4.606 4.550 0.003 0.000 0.292 62 Y C 2.667 178.360 175.900 -0.346 0.000 1.136 62 Y CA 1.142 58.975 58.100 -0.445 0.000 1.255 62 Y CB -0.442 37.493 38.460 -0.875 0.000 0.991 62 Y HN 0.452 nan 8.280 nan 0.000 0.552 63 Q N -0.437 119.276 119.800 -0.145 0.000 2.089 63 Q HA -0.196 4.146 4.340 0.003 0.000 0.195 63 Q C 2.314 178.259 176.000 -0.093 0.000 0.963 63 Q CA 1.282 57.023 55.803 -0.104 0.000 0.834 63 Q CB -0.192 28.501 28.738 -0.075 0.000 0.906 63 Q HN 0.635 nan 8.270 nan 0.000 0.452 64 Q N -0.013 119.731 119.800 -0.094 0.000 2.181 64 Q HA -0.134 4.208 4.340 0.003 0.000 0.205 64 Q C 1.696 177.641 176.000 -0.091 0.000 0.980 64 Q CA 2.045 57.800 55.803 -0.081 0.000 0.862 64 Q CB -0.138 28.555 28.738 -0.075 0.000 0.905 64 Q HN 0.046 nan 8.270 nan 0.000 0.429 65 S N 0.457 116.082 115.700 -0.125 0.000 2.421 65 S HA 0.165 4.637 4.470 0.003 0.000 0.224 65 S C 1.742 176.259 174.600 -0.138 0.000 1.035 65 S CA 0.590 58.704 58.200 -0.142 0.000 0.953 65 S CB 0.062 63.140 63.200 -0.204 0.000 0.810 65 S HN 0.310 nan 8.310 nan 0.000 0.497 66 L N 0.712 121.846 121.223 -0.148 0.000 2.446 66 L HA 0.273 4.615 4.340 0.003 0.000 0.219 66 L C 0.449 177.272 176.870 -0.078 0.000 1.116 66 L CA 0.586 55.352 54.840 -0.123 0.000 0.844 66 L CB -0.191 41.786 42.059 -0.137 0.000 0.970 66 L HN 0.187 nan 8.230 nan 0.000 0.457 67 L N 0.263 121.445 121.223 -0.069 0.000 3.096 67 L HA 0.294 4.636 4.340 0.003 0.000 0.247 67 L C 0.287 177.131 176.870 -0.042 0.000 1.321 67 L CA -0.156 54.656 54.840 -0.046 0.000 1.044 67 L CB -0.085 41.952 42.059 -0.037 0.000 1.434 67 L HN 0.072 nan 8.230 nan 0.000 0.533 68 R N 1.470 121.942 120.500 -0.046 0.000 2.441 68 R HA 0.357 4.699 4.340 0.003 0.000 0.284 68 R C -1.764 174.518 176.300 -0.030 0.000 1.070 68 R CA -1.582 54.494 56.100 -0.040 0.000 1.047 68 R CB 0.636 30.909 30.300 -0.046 0.000 1.016 68 R HN 0.014 nan 8.270 nan 0.000 0.477 69 P HA -0.134 nan 4.420 nan 0.000 0.272 69 P C 0.226 177.515 177.300 -0.017 0.000 1.239 69 P CA 0.127 63.216 63.100 -0.019 0.000 0.807 69 P CB 0.357 32.047 31.700 -0.017 0.000 0.951 70 A N 1.003 123.815 122.820 -0.013 0.000 1.896 70 A HA -0.165 4.157 4.320 0.003 0.000 0.220 70 A C 1.058 178.635 177.584 -0.012 0.000 1.206 70 A CA 2.418 54.449 52.037 -0.011 0.000 0.647 70 A CB -1.213 17.782 19.000 -0.009 0.000 0.828 70 A HN 0.766 nan 8.150 nan 0.000 0.455 71 S N -0.738 114.954 115.700 -0.012 0.000 2.720 71 S HA 0.468 4.940 4.470 0.003 0.000 0.278 71 S C -1.108 173.484 174.600 -0.014 0.000 1.172 71 S CA -1.083 57.109 58.200 -0.013 0.000 1.019 71 S CB 0.882 64.076 63.200 -0.011 0.000 1.049 71 S HN 0.283 nan 8.310 nan 0.000 0.483 72 N N 3.315 122.005 118.700 -0.017 0.000 2.458 72 N HA 0.111 4.853 4.740 0.003 0.000 0.258 72 N C -0.241 175.260 175.510 -0.016 0.000 1.219 72 N CA 0.028 53.067 53.050 -0.018 0.000 0.902 72 N CB 0.479 38.953 38.487 -0.023 0.000 1.076 72 N HN 0.588 nan 8.380 nan 0.000 0.455 73 K N 2.046 122.437 120.400 -0.015 0.000 2.351 73 K HA -0.015 4.307 4.320 0.003 0.000 0.287 73 K C -0.043 176.549 176.600 -0.013 0.000 1.068 73 K CA 0.164 56.444 56.287 -0.013 0.000 0.998 73 K CB 0.013 32.506 32.500 -0.012 0.000 0.968 73 K HN 0.546 nan 8.250 nan 0.000 0.464 74 D N 1.408 121.801 120.400 -0.012 0.000 3.059 74 D HA -0.157 4.486 4.640 0.003 0.000 0.208 74 D C 0.086 176.379 176.300 -0.012 0.000 1.079 74 D CA 1.857 55.850 54.000 -0.011 0.000 0.986 74 D CB -0.763 40.031 40.800 -0.011 0.000 1.090 74 D HN 0.804 nan 8.370 nan 0.000 0.428 75 D N -2.272 118.120 120.400 -0.013 0.000 2.412 75 D HA 0.199 4.841 4.640 0.003 0.000 0.298 75 D C 0.812 177.104 176.300 -0.014 0.000 1.136 75 D CA 0.516 54.507 54.000 -0.014 0.000 0.988 75 D CB -0.345 40.445 40.800 -0.017 0.000 1.712 75 D HN 0.053 nan 8.370 nan 0.000 0.503 76 N N -0.369 118.322 118.700 -0.015 0.000 2.878 76 N HA -0.191 4.551 4.740 0.003 0.000 0.247 76 N C -0.415 175.084 175.510 -0.017 0.000 1.021 76 N CA 1.586 54.627 53.050 -0.014 0.000 0.873 76 N CB -0.809 37.671 38.487 -0.011 0.000 1.128 76 N HN 0.535 nan 8.380 nan 0.000 0.571 77 D N -2.421 117.967 120.400 -0.020 0.000 2.617 77 D HA 0.242 4.884 4.640 0.003 0.000 0.124 77 D C -0.614 175.669 176.300 -0.028 0.000 1.490 77 D CA 0.563 54.549 54.000 -0.023 0.000 1.487 77 D CB -0.088 40.701 40.800 -0.019 0.000 1.992 77 D HN 0.023 nan 8.370 nan 0.000 0.237 78 S N 0.950 116.634 115.700 -0.026 0.000 4.045 78 S HA -0.109 4.363 4.470 0.003 0.000 0.208 78 S C -0.831 173.747 174.600 -0.036 0.000 0.369 78 S CA 1.585 59.768 58.200 -0.028 0.000 1.395 78 S CB -1.167 62.018 63.200 -0.026 0.000 1.660 78 S HN 0.392 nan 8.310 nan 0.000 0.307 79 E N -0.300 119.877 120.200 -0.037 0.000 7.514 79 E HA 0.050 4.402 4.350 0.003 0.000 0.251 79 E C -0.278 176.291 176.600 -0.053 0.000 0.830 79 E CA 0.866 57.239 56.400 -0.045 0.000 1.581 79 E CB -1.150 28.520 29.700 -0.051 0.000 0.903 79 E HN 0.940 nan 8.360 nan 0.000 0.262 80 A N 4.413 127.202 122.820 -0.051 0.000 2.445 80 A HA 0.546 4.868 4.320 0.003 0.000 0.242 80 A C 0.338 177.867 177.584 -0.093 0.000 1.075 80 A CA 0.729 52.730 52.037 -0.060 0.000 0.777 80 A CB 0.358 19.331 19.000 -0.044 0.000 1.013 80 A HN 0.448 nan 8.150 nan 0.000 0.493 81 K N 1.262 121.591 120.400 -0.119 0.000 2.346 81 K HA 0.720 5.042 4.320 0.003 0.000 0.238 81 K C -3.055 173.403 176.600 -0.235 0.000 1.039 81 K CA -2.038 54.138 56.287 -0.185 0.000 0.861 81 K CB 0.147 32.542 32.500 -0.175 0.000 1.278 81 K HN 0.296 nan 8.250 nan 0.000 0.460 82 P HA -0.050 nan 4.420 nan 0.000 0.265 82 P C -0.302 176.831 177.300 -0.278 0.000 1.193 82 P CA -0.013 62.821 63.100 -0.443 0.000 0.765 82 P CB 0.703 31.823 31.700 -0.966 0.000 0.823 83 S N 3.092 118.671 115.700 -0.200 0.000 2.606 83 S HA 0.107 4.579 4.470 0.003 0.000 0.257 83 S C 1.227 175.682 174.600 -0.242 0.000 1.327 83 S CA -0.327 57.762 58.200 -0.185 0.000 0.984 83 S CB 0.246 63.359 63.200 -0.145 0.000 0.941 83 S HN 0.229 nan 8.310 nan 0.000 0.576 84 M N 0.916 120.282 119.600 -0.390 0.000 2.349 84 M HA 0.096 4.578 4.480 0.003 0.000 0.266 84 M C 2.300 178.276 176.300 -0.540 0.000 1.076 84 M CA 1.417 56.372 55.300 -0.574 0.000 1.126 84 M CB -2.088 29.851 32.600 -1.101 0.000 1.392 84 M HN 0.959 nan 8.290 nan 0.000 0.440 85 G N -0.421 108.098 108.800 -0.468 0.000 2.422 85 G HA2 -0.209 3.753 3.960 0.003 0.000 0.218 85 G HA3 -0.209 3.753 3.960 0.003 0.000 0.218 85 G C 1.531 176.396 174.900 -0.059 0.000 1.140 85 G CA 0.336 45.316 45.100 -0.200 0.000 0.775 85 G HN 0.451 nan 8.290 nan 0.000 0.545 86 Q N -0.753 119.025 119.800 -0.037 0.000 2.079 86 Q HA -0.017 4.325 4.340 0.003 0.000 0.200 86 Q C 2.431 178.574 176.000 0.240 0.000 0.974 86 Q CA 0.956 56.820 55.803 0.101 0.000 0.840 86 Q CB -0.240 28.551 28.738 0.088 0.000 0.898 86 Q HN 0.415 nan 8.270 nan 0.000 0.430 87 L N 0.605 121.925 121.223 0.162 0.000 2.042 87 L HA -0.160 4.182 4.340 0.003 0.000 0.210 87 L C 2.093 179.053 176.870 0.150 0.000 1.076 87 L CA 2.138 57.118 54.840 0.234 0.000 0.749 87 L CB -0.849 41.252 42.059 0.071 0.000 0.893 87 L HN 0.148 nan 8.230 nan 0.000 0.432 88 A N -0.632 122.211 122.820 0.038 0.000 1.940 88 A HA -0.189 4.133 4.320 0.003 0.000 0.219 88 A C 2.282 179.860 177.584 -0.009 0.000 1.176 88 A CA 2.102 54.144 52.037 0.009 0.000 0.631 88 A CB -0.884 18.112 19.000 -0.008 0.000 0.814 88 A HN 0.519 nan 8.150 nan 0.000 0.446 89 L N -2.197 119.031 121.223 0.009 0.000 2.156 89 L HA -0.139 4.203 4.340 0.003 0.000 0.208 89 L C 2.522 179.365 176.870 -0.045 0.000 1.095 89 L CA 1.319 56.135 54.840 -0.040 0.000 0.770 89 L CB -0.564 41.489 42.059 -0.011 0.000 0.914 89 L HN 0.591 nan 8.230 nan 0.000 0.439 90 Y N 0.690 120.897 120.300 -0.154 0.000 2.114 90 Y HA -0.313 4.239 4.550 0.003 0.000 0.282 90 Y C 2.256 178.063 175.900 -0.156 0.000 1.165 90 Y CA 1.584 59.502 58.100 -0.304 0.000 1.148 90 Y CB -0.347 37.834 38.460 -0.466 0.000 0.972 90 Y HN -0.020 nan 8.280 nan 0.000 0.504 91 L N -0.026 121.050 121.223 -0.245 0.000 2.042 91 L HA -0.279 4.063 4.340 0.003 0.000 0.210 91 L C 2.529 179.376 176.870 -0.037 0.000 1.076 91 L CA 1.659 56.356 54.840 -0.237 0.000 0.749 91 L CB -1.002 40.965 42.059 -0.153 0.000 0.893 91 L HN 0.334 nan 8.230 nan 0.000 0.432 92 L N -1.462 119.704 121.223 -0.096 0.000 2.017 92 L HA -0.235 4.107 4.340 0.003 0.000 0.208 92 L C 2.690 179.492 176.870 -0.115 0.000 1.073 92 L CA 1.322 56.084 54.840 -0.130 0.000 0.745 92 L CB -1.066 40.842 42.059 -0.252 0.000 0.894 92 L HN 0.314 nan 8.230 nan 0.000 0.432 93 A N 0.434 123.187 122.820 -0.112 0.000 1.917 93 A HA -0.219 4.103 4.320 0.003 0.000 0.219 93 A C 2.285 179.844 177.584 -0.041 0.000 1.182 93 A CA 1.636 53.678 52.037 0.009 0.000 0.633 93 A CB -0.763 18.196 19.000 -0.069 0.000 0.819 93 A HN 0.375 nan 8.150 nan 0.000 0.448 94 L N -1.260 119.822 121.223 -0.235 0.000 2.012 94 L HA -0.206 4.136 4.340 0.003 0.000 0.210 94 L C 2.876 179.669 176.870 -0.128 0.000 1.073 94 L CA 1.299 56.029 54.840 -0.183 0.000 0.748 94 L CB -0.541 41.397 42.059 -0.202 0.000 0.891 94 L HN 0.310 nan 8.230 nan 0.000 0.431 95 R N 0.161 120.545 120.500 -0.193 0.000 2.115 95 R HA -0.065 4.278 4.340 0.003 0.000 0.230 95 R C 2.200 178.388 176.300 -0.188 0.000 1.111 95 R CA 1.317 57.219 56.100 -0.330 0.000 0.976 95 R CB -0.901 29.145 30.300 -0.423 0.000 0.870 95 R HN 0.337 nan 8.270 nan 0.000 0.445 96 A N 0.940 123.709 122.820 -0.085 0.000 2.121 96 A HA -0.135 4.187 4.320 0.003 0.000 0.218 96 A C 1.638 179.218 177.584 -0.007 0.000 1.154 96 A CA 1.325 53.334 52.037 -0.047 0.000 0.679 96 A CB -0.381 18.605 19.000 -0.024 0.000 0.795 96 A HN 0.268 nan 8.150 nan 0.000 0.458 97 N N -1.500 117.233 118.700 0.055 0.000 2.251 97 N HA 0.108 4.850 4.740 0.003 0.000 0.217 97 N C -0.153 175.343 175.510 -0.024 0.000 1.124 97 N CA 0.393 53.481 53.050 0.063 0.000 0.843 97 N CB -0.648 37.928 38.487 0.150 0.000 1.024 97 N HN 0.288 nan 8.380 nan 0.000 0.501 98 c N 0.812 119.352 118.600 -0.100 0.000 4.454 98 c HA -0.162 4.410 4.570 0.003 0.000 0.301 98 c C -0.212 173.781 174.090 -0.162 0.000 1.366 98 c CA 0.276 56.514 56.329 -0.153 0.000 2.016 98 c CB -2.537 39.926 42.510 -0.079 0.000 1.253 98 c HN 0.476 nan 8.230 nan 0.000 0.770 99 E N -1.117 118.964 120.200 -0.198 0.000 2.199 99 E HA 0.641 4.993 4.350 0.003 0.000 0.269 99 E C -0.359 176.106 176.600 -0.225 0.000 0.899 99 E CA -0.550 55.783 56.400 -0.112 0.000 0.772 99 E CB 1.076 30.760 29.700 -0.027 0.000 1.155 99 E HN 0.326 nan 8.360 nan 0.000 0.408 100 F N 1.921 121.895 119.950 0.039 0.000 2.385 100 F HA 0.308 4.837 4.527 0.003 0.000 0.336 100 F C 0.726 176.637 175.800 0.185 0.000 1.100 100 F CA -0.700 57.385 58.000 0.142 0.000 1.116 100 F CB 0.643 39.697 39.000 0.089 0.000 1.166 100 F HN 0.374 nan 8.300 nan 0.000 0.511 101 I N 2.139 122.974 120.570 0.441 0.000 2.752 101 I HA 0.410 4.582 4.170 0.003 0.000 0.287 101 I C 0.439 176.639 176.117 0.140 0.000 1.188 101 I CA 1.005 62.375 61.300 0.117 0.000 1.427 101 I CB -0.080 37.815 38.000 -0.175 0.000 1.365 101 I HN 0.670 nan 8.210 nan 0.000 0.585 102 G N 3.574 112.428 108.800 0.089 0.000 2.606 102 G HA2 0.584 4.546 3.960 0.003 0.000 0.300 102 G HA3 0.584 4.546 3.960 0.003 0.000 0.300 102 G C -0.485 174.446 174.900 0.052 0.000 1.360 102 G CA -0.219 44.925 45.100 0.073 0.000 0.783 102 G HN 1.239 nan 8.290 nan 0.000 0.484 103 G N -0.769 108.056 108.800 0.041 0.000 2.752 103 G HA2 -0.190 3.772 3.960 0.003 0.000 0.234 103 G HA3 -0.190 3.772 3.960 0.003 0.000 0.234 103 G C 0.967 175.883 174.900 0.027 0.000 1.367 103 G CA 0.577 45.696 45.100 0.032 0.000 0.879 103 G HN 0.869 nan 8.290 nan 0.000 0.563 104 R N 0.101 120.614 120.500 0.022 0.000 2.066 104 R HA -0.031 4.311 4.340 0.003 0.000 0.232 104 R C 2.680 178.990 176.300 0.018 0.000 1.131 104 R CA 1.686 57.796 56.100 0.017 0.000 0.955 104 R CB -0.312 29.996 30.300 0.013 0.000 0.851 104 R HN 0.630 nan 8.270 nan 0.000 0.432 105 K N 0.192 120.603 120.400 0.020 0.000 2.057 105 K HA -0.090 4.232 4.320 0.003 0.000 0.207 105 K C 2.208 178.826 176.600 0.030 0.000 1.049 105 K CA 1.442 57.741 56.287 0.020 0.000 0.931 105 K CB -0.287 32.225 32.500 0.020 0.000 0.714 105 K HN 0.294 nan 8.250 nan 0.000 0.440 106 G N 1.234 110.057 108.800 0.038 0.000 2.421 106 G HA2 -0.221 3.741 3.960 0.003 0.000 0.217 106 G HA3 -0.221 3.741 3.960 0.003 0.000 0.217 106 G C 1.011 175.925 174.900 0.023 0.000 1.143 106 G CA 0.671 45.794 45.100 0.039 0.000 0.784 106 G HN 0.154 nan 8.290 nan 0.000 0.541 107 D N 0.390 120.803 120.400 0.022 0.000 2.097 107 D HA -0.012 4.630 4.640 0.003 0.000 0.197 107 D C 2.695 179.006 176.300 0.017 0.000 0.984 107 D CA 0.447 54.459 54.000 0.019 0.000 0.826 107 D CB -0.165 40.646 40.800 0.019 0.000 0.973 107 D HN 0.160 nan 8.370 nan 0.000 0.460 108 R N 0.109 120.619 120.500 0.015 0.000 2.103 108 R HA -0.116 4.226 4.340 0.003 0.000 0.242 108 R C 2.481 178.788 176.300 0.013 0.000 1.142 108 R CA 0.806 56.913 56.100 0.011 0.000 0.960 108 R CB -0.431 29.873 30.300 0.006 0.000 0.858 108 R HN 0.267 nan 8.270 nan 0.000 0.439 109 L N -0.031 121.204 121.223 0.019 0.000 2.056 109 L HA -0.153 4.189 4.340 0.003 0.000 0.207 109 L C 2.464 179.347 176.870 0.021 0.000 1.078 109 L CA 0.928 55.784 54.840 0.027 0.000 0.749 109 L CB -0.492 41.603 42.059 0.060 0.000 0.901 109 L HN 0.033 nan 8.230 nan 0.000 0.433 110 V N -0.836 119.084 119.914 0.010 0.000 2.392 110 V HA -0.294 3.828 4.120 0.003 0.000 0.249 110 V C 2.657 178.766 176.094 0.024 0.000 1.059 110 V CA 1.938 64.242 62.300 0.006 0.000 1.051 110 V CB -0.253 31.570 31.823 0.001 0.000 0.658 110 V HN 0.363 nan 8.190 nan 0.000 0.455 111 S N -0.967 114.747 115.700 0.023 0.000 2.359 111 S HA -0.274 4.198 4.470 0.003 0.000 0.224 111 S C 2.006 176.624 174.600 0.030 0.000 1.035 111 S CA 1.696 59.912 58.200 0.026 0.000 1.018 111 S CB -0.275 62.937 63.200 0.020 0.000 0.876 111 S HN 0.655 nan 8.310 nan 0.000 0.448 112 Q N -0.076 119.740 119.800 0.027 0.000 2.096 112 Q HA -0.147 4.195 4.340 0.003 0.000 0.204 112 Q C 2.214 178.253 176.000 0.066 0.000 0.982 112 Q CA 1.237 57.059 55.803 0.032 0.000 0.850 112 Q CB -0.328 28.415 28.738 0.008 0.000 0.901 112 Q HN 0.351 nan 8.270 nan 0.000 0.422 113 L N 1.169 122.429 121.223 0.062 0.000 2.093 113 L HA -0.148 4.194 4.340 0.003 0.000 0.208 113 L C 1.902 178.855 176.870 0.137 0.000 1.085 113 L CA 1.758 56.663 54.840 0.109 0.000 0.755 113 L CB -0.235 41.864 42.059 0.067 0.000 0.904 113 L HN 0.016 nan 8.230 nan 0.000 0.435 114 K N -0.839 119.603 120.400 0.070 0.000 2.025 114 K HA -0.139 4.183 4.320 0.003 0.000 0.207 114 K C 2.169 178.774 176.600 0.009 0.000 1.049 114 K CA 1.437 57.743 56.287 0.031 0.000 0.933 114 K CB -0.132 32.383 32.500 0.026 0.000 0.714 114 K HN 0.308 nan 8.250 nan 0.000 0.438 115 R N 0.091 120.610 120.500 0.031 0.000 2.091 115 R HA -0.173 4.169 4.340 0.003 0.000 0.238 115 R C 2.231 178.568 176.300 0.062 0.000 1.136 115 R CA 1.639 57.754 56.100 0.024 0.000 0.959 115 R CB -0.522 29.800 30.300 0.036 0.000 0.856 115 R HN 0.180 nan 8.270 nan 0.000 0.437 116 F N 1.819 121.748 119.950 -0.035 0.000 2.027 116 F HA -0.259 4.270 4.527 0.003 0.000 0.297 116 F C 1.857 177.640 175.800 -0.028 0.000 1.129 116 F CA 1.669 59.654 58.000 -0.026 0.000 1.195 116 F CB -0.676 38.308 39.000 -0.027 0.000 0.960 116 F HN -0.118 nan 8.300 nan 0.000 0.485 117 L N 0.121 121.149 121.223 -0.325 0.000 2.042 117 L HA -0.229 4.113 4.340 0.003 0.000 0.210 117 L C 2.509 179.229 176.870 -0.249 0.000 1.076 117 L CA 1.889 56.431 54.840 -0.497 0.000 0.749 117 L CB -0.996 40.820 42.059 -0.405 0.000 0.893 117 L HN 0.251 nan 8.230 nan 0.000 0.432 118 E N 0.621 120.724 120.200 -0.163 0.000 2.038 118 E HA -0.255 4.097 4.350 0.003 0.000 0.195 118 E C 1.738 178.276 176.600 -0.102 0.000 1.000 118 E CA 1.902 58.227 56.400 -0.126 0.000 0.803 118 E CB -0.195 29.422 29.700 -0.138 0.000 0.750 118 E HN 0.370 nan 8.360 nan 0.000 0.448 119 D N 0.262 120.604 120.400 -0.097 0.000 2.149 119 D HA -0.158 4.484 4.640 0.003 0.000 0.198 119 D C 1.808 178.045 176.300 -0.106 0.000 0.990 119 D CA 1.207 55.161 54.000 -0.076 0.000 0.839 119 D CB -0.179 40.606 40.800 -0.025 0.000 0.948 119 D HN 0.304 nan 8.370 nan 0.000 0.460 120 E N 0.634 120.730 120.200 -0.172 0.000 2.072 120 E HA -0.157 4.195 4.350 0.003 0.000 0.191 120 E C 1.968 178.507 176.600 -0.102 0.000 0.985 120 E CA 0.522 56.834 56.400 -0.148 0.000 0.801 120 E CB -0.245 29.360 29.700 -0.158 0.000 0.750 120 E HN 0.363 nan 8.360 nan 0.000 0.452 121 K N 1.291 121.695 120.400 0.006 0.000 2.089 121 K HA -0.204 4.118 4.320 0.003 0.000 0.210 121 K C 2.105 178.618 176.600 -0.145 0.000 1.048 121 K CA 1.602 57.866 56.287 -0.039 0.000 0.926 121 K CB 0.004 32.514 32.500 0.017 0.000 0.714 121 K HN -0.011 nan 8.250 nan 0.000 0.448 122 R N -0.226 120.201 120.500 -0.122 0.000 2.090 122 R HA -0.003 4.339 4.340 0.003 0.000 0.228 122 R C 2.473 178.684 176.300 -0.148 0.000 1.110 122 R CA 0.954 56.978 56.100 -0.127 0.000 0.973 122 R CB -0.309 29.941 30.300 -0.083 0.000 0.869 122 R HN 0.229 nan 8.270 nan 0.000 0.440 123 A N 1.603 124.340 122.820 -0.138 0.000 1.902 123 A HA -0.134 4.188 4.320 0.003 0.000 0.217 123 A C 2.133 179.600 177.584 -0.195 0.000 1.181 123 A CA 1.183 53.141 52.037 -0.131 0.000 0.623 123 A CB -0.473 18.463 19.000 -0.106 0.000 0.818 123 A HN 0.142 nan 8.150 nan 0.000 0.443 124 I N -0.820 119.594 120.570 -0.259 0.000 2.045 124 I HA 0.076 4.248 4.170 0.003 0.000 0.233 124 I C 1.499 177.281 176.117 -0.558 0.000 1.048 124 I CA 1.333 62.432 61.300 -0.334 0.000 1.313 124 I CB -0.991 36.822 38.000 -0.312 0.000 1.043 124 I HN 0.578 nan 8.210 nan 0.000 0.393 125 G N -0.498 107.933 108.800 -0.614 0.000 2.690 125 G HA2 -0.161 3.801 3.960 0.003 0.000 0.686 125 G HA3 -0.161 3.801 3.960 0.003 0.000 0.686 125 G C 0.216 174.440 174.900 -1.127 0.000 1.277 125 G CA 0.098 44.724 45.100 -0.789 0.000 0.799 125 G HN 0.976 nan 8.290 nan 0.000 0.613 126 H N -0.940 117.990 119.070 -0.233 0.000 1.452 126 H HA -0.344 4.214 4.556 0.003 0.000 0.090 126 H C 1.007 176.162 175.328 -0.289 0.000 1.204 126 H CA 2.420 58.344 56.048 -0.205 0.000 1.901 126 H CB -1.135 28.536 29.762 -0.150 0.000 2.257 126 H HN 1.680 nan 8.280 nan 0.000 0.961 127 N N 1.407 120.124 118.700 0.029 0.000 2.672 127 N HA 0.157 4.899 4.740 0.003 0.000 0.295 127 N C -1.064 174.433 175.510 -0.022 0.000 1.924 127 N CA 0.199 53.203 53.050 -0.077 0.000 0.851 127 N CB 0.367 38.881 38.487 0.045 0.000 1.281 127 N HN 0.879 nan 8.380 nan 0.000 0.494 128 H N -0.616 118.265 119.070 -0.315 0.000 3.047 128 H HA -0.138 4.419 4.556 0.003 0.000 0.263 128 H C -0.321 174.945 175.328 -0.104 0.000 1.168 128 H CA 1.074 56.958 56.048 -0.273 0.000 1.152 128 H CB -1.388 28.166 29.762 -0.346 0.000 1.278 128 H HN 0.505 nan 8.280 nan 0.000 0.339 129 Q N 0.877 120.777 119.800 0.167 0.000 3.247 129 Q HA 0.511 4.853 4.340 0.003 0.000 0.326 129 Q C 0.843 176.842 176.000 -0.002 0.000 1.402 129 Q CA 0.748 56.619 55.803 0.113 0.000 0.994 129 Q CB 0.683 29.489 28.738 0.113 0.000 1.647 129 Q HN 0.589 nan 8.270 nan 0.000 0.523 130 G N 0.534 109.189 108.800 -0.241 0.000 2.519 130 G HA2 0.407 4.369 3.960 0.003 0.000 0.292 130 G HA3 0.407 4.369 3.960 0.003 0.000 0.292 130 G C -1.550 173.082 174.900 -0.446 0.000 1.507 130 G CA -0.696 44.197 45.100 -0.345 0.000 0.806 130 G HN 0.291 nan 8.290 nan 0.000 0.523 131 H N 0.025 119.045 119.070 -0.084 0.000 2.569 131 H HA 0.536 5.094 4.556 0.003 0.000 0.357 131 H C -2.267 172.948 175.328 -0.189 0.000 1.153 131 H CA -1.494 54.485 56.048 -0.116 0.000 1.193 131 H CB 2.029 31.707 29.762 -0.140 0.000 1.602 131 H HN 0.225 nan 8.280 nan 0.000 0.523 132 P HA 0.116 nan 4.420 nan 0.000 0.271 132 P C 1.049 178.311 177.300 -0.063 0.000 1.218 132 P CA -0.222 62.743 63.100 -0.225 0.000 0.780 132 P CB 1.350 32.803 31.700 -0.412 0.000 0.901 133 R N 0.804 121.294 120.500 -0.016 0.000 2.120 133 R HA -0.101 4.241 4.340 0.003 0.000 0.234 133 R C 1.562 177.932 176.300 0.116 0.000 1.123 133 R CA 2.228 58.358 56.100 0.050 0.000 0.975 133 R CB -0.341 30.002 30.300 0.072 0.000 0.866 133 R HN 0.725 nan 8.270 nan 0.000 0.446 134 T N -2.898 111.750 114.554 0.157 0.000 3.538 134 T HA 0.168 4.520 4.350 0.003 0.000 0.204 134 T C 0.646 175.466 174.700 0.200 0.000 0.870 134 T CA 0.363 62.592 62.100 0.215 0.000 1.727 134 T CB 0.130 69.184 68.868 0.309 0.000 1.685 134 T HN 0.256 nan 8.240 nan 0.000 0.454 135 S N -1.082 114.724 115.700 0.175 0.000 2.627 135 S HA 0.420 4.892 4.470 0.003 0.000 0.268 135 S C -0.275 174.400 174.600 0.125 0.000 1.130 135 S CA -0.853 57.447 58.200 0.167 0.000 0.819 135 S CB 0.239 63.596 63.200 0.262 0.000 1.100 135 S HN 0.328 nan 8.310 nan 0.000 0.465 136 Y N -0.168 120.257 120.300 0.209 0.000 2.439 136 Y HA 0.021 4.573 4.550 0.003 0.000 0.292 136 Y C 2.149 178.197 175.900 0.247 0.000 1.130 136 Y CA 1.462 59.679 58.100 0.194 0.000 1.254 136 Y CB -0.424 38.106 38.460 0.117 0.000 1.000 136 Y HN 0.852 nan 8.280 nan 0.000 0.554 137 Y N 0.944 121.398 120.300 0.258 0.000 2.145 137 Y HA -0.301 4.251 4.550 0.003 0.000 0.286 137 Y C 2.274 178.286 175.900 0.186 0.000 1.145 137 Y CA 1.895 60.102 58.100 0.180 0.000 1.148 137 Y CB -0.273 38.260 38.460 0.121 0.000 0.981 137 Y HN 0.103 nan 8.280 nan 0.000 0.507 138 Q N -1.541 118.484 119.800 0.375 0.000 2.172 138 Q HA -0.220 4.122 4.340 0.003 0.000 0.200 138 Q C 1.958 178.161 176.000 0.338 0.000 0.964 138 Q CA 1.443 57.437 55.803 0.319 0.000 0.855 138 Q CB -0.380 28.594 28.738 0.393 0.000 0.918 138 Q HN 0.613 nan 8.270 nan 0.000 0.444 139 Y N 1.181 121.579 120.300 0.164 0.000 2.128 139 Y HA -0.295 4.258 4.550 0.004 0.000 0.284 139 Y C 2.454 178.392 175.900 0.064 0.000 1.154 139 Y CA 1.951 60.088 58.100 0.061 0.000 1.149 139 Y CB -0.083 38.373 38.460 -0.005 0.000 0.976 139 Y HN 0.013 nan 8.280 nan 0.000 0.505 140 S N -0.037 115.762 115.700 0.165 0.000 2.368 140 S HA -0.166 4.306 4.470 0.003 0.000 0.224 140 S C 1.873 176.423 174.600 -0.083 0.000 1.029 140 S CA 1.086 59.281 58.200 -0.008 0.000 0.988 140 S CB -0.754 62.395 63.200 -0.085 0.000 0.838 140 S HN 0.381 nan 8.310 nan 0.000 0.462 141 L N 2.486 123.639 121.223 -0.117 0.000 1.990 141 L HA -0.101 4.241 4.340 0.003 0.000 0.213 141 L C 2.348 179.200 176.870 -0.030 0.000 1.072 141 L CA 2.189 56.961 54.840 -0.114 0.000 0.755 141 L CB -1.489 40.494 42.059 -0.127 0.000 0.889 141 L HN 0.335 nan 8.230 nan 0.000 0.432 142 G N -0.538 108.284 108.800 0.037 0.000 2.446 142 G HA2 -0.281 3.682 3.960 0.003 0.000 0.217 142 G HA3 -0.281 3.682 3.960 0.003 0.000 0.217 142 G C 1.641 176.535 174.900 -0.010 0.000 1.168 142 G CA 1.296 46.431 45.100 0.059 0.000 0.771 142 G HN 0.503 nan 8.290 nan 0.000 0.551 143 I N 0.053 120.583 120.570 -0.066 0.000 2.202 143 I HA -0.098 4.074 4.170 0.003 0.000 0.242 143 I C 2.583 178.699 176.117 -0.001 0.000 1.091 143 I CA 0.563 61.836 61.300 -0.044 0.000 1.368 143 I CB -0.292 37.680 38.000 -0.047 0.000 1.058 143 I HN 0.179 nan 8.210 nan 0.000 0.410 144 L N 1.553 122.765 121.223 -0.017 0.000 2.012 144 L HA -0.198 4.144 4.340 0.003 0.000 0.210 144 L C 2.556 179.437 176.870 0.020 0.000 1.073 144 L CA 2.277 57.116 54.840 -0.003 0.000 0.748 144 L CB -0.767 41.278 42.059 -0.023 0.000 0.891 144 L HN 0.194 nan 8.230 nan 0.000 0.431 145 A N -0.886 121.942 122.820 0.014 0.000 1.972 145 A HA -0.122 4.200 4.320 0.003 0.000 0.219 145 A C 2.243 179.898 177.584 0.118 0.000 1.169 145 A CA 1.898 53.962 52.037 0.046 0.000 0.635 145 A CB -0.779 18.229 19.000 0.013 0.000 0.810 145 A HN 0.537 nan 8.150 nan 0.000 0.446 146 L N -1.403 119.868 121.223 0.080 0.000 2.131 146 L HA -0.130 4.212 4.340 0.003 0.000 0.206 146 L C 2.744 179.691 176.870 0.130 0.000 1.087 146 L CA 0.938 55.837 54.840 0.100 0.000 0.767 146 L CB -0.561 41.535 42.059 0.061 0.000 0.917 146 L HN 0.631 nan 8.230 nan 0.000 0.441 147 c N 0.244 118.901 118.600 0.094 0.000 2.413 147 c HA -0.135 4.437 4.570 0.003 0.000 0.276 147 c C 2.867 177.014 174.090 0.096 0.000 1.236 147 c CA 1.200 57.583 56.329 0.089 0.000 1.735 147 c CB -0.575 41.976 42.510 0.069 0.000 2.031 147 c HN 0.488 nan 8.230 nan 0.000 0.474 148 V N -1.577 118.379 119.914 0.069 0.000 2.720 148 V HA -0.114 4.008 4.120 0.003 0.000 0.256 148 V C 2.003 178.067 176.094 -0.049 0.000 1.082 148 V CA 2.151 64.444 62.300 -0.012 0.000 1.101 148 V CB -1.372 30.395 31.823 -0.094 0.000 0.693 148 V HN 0.711 nan 8.190 nan 0.000 0.479 149 H N 0.349 119.476 119.070 0.095 0.000 2.524 149 H HA 0.214 4.772 4.556 0.003 0.000 0.280 149 H C 0.592 176.081 175.328 0.269 0.000 1.018 149 H CA 0.379 56.566 56.048 0.231 0.000 1.165 149 H CB 0.459 30.307 29.762 0.143 0.000 1.411 149 H HN 0.456 nan 8.280 nan 0.000 0.569 150 Q N 0.103 120.059 119.800 0.259 0.000 2.481 150 Q HA -0.172 4.170 4.340 0.003 0.000 0.258 150 Q C -0.325 175.740 176.000 0.110 0.000 0.961 150 Q CA 0.744 56.637 55.803 0.150 0.000 1.121 150 Q CB -1.345 27.445 28.738 0.085 0.000 1.503 150 Q HN 0.393 nan 8.270 nan 0.000 0.544 151 K N 0.951 121.430 120.400 0.131 0.000 2.211 151 K HA 0.347 4.669 4.320 0.003 0.000 0.275 151 K C 0.497 177.143 176.600 0.076 0.000 1.024 151 K CA -0.494 55.849 56.287 0.093 0.000 0.887 151 K CB 1.523 34.080 32.500 0.095 0.000 1.084 151 K HN 0.152 nan 8.250 nan 0.000 0.463 152 R N 2.267 122.803 120.500 0.059 0.000 2.357 152 R HA 0.232 4.574 4.340 0.003 0.000 0.296 152 R C -0.224 176.118 176.300 0.070 0.000 1.052 152 R CA -0.450 55.683 56.100 0.053 0.000 0.988 152 R CB 0.737 31.055 30.300 0.029 0.000 1.025 152 R HN 0.391 nan 8.270 nan 0.000 0.469 153 V N 1.227 121.189 119.914 0.078 0.000 2.617 153 V HA 0.298 4.420 4.120 0.003 0.000 0.298 153 V C -0.053 176.124 176.094 0.138 0.000 1.048 153 V CA -1.022 61.347 62.300 0.117 0.000 0.964 153 V CB 1.102 32.972 31.823 0.078 0.000 1.004 153 V HN 0.768 nan 8.190 nan 0.000 0.466 154 H N 2.039 121.121 119.070 0.021 0.000 3.134 154 H HA -0.004 4.554 4.556 0.003 0.000 0.326 154 H C 0.706 176.059 175.328 0.043 0.000 1.017 154 H CA 1.244 57.308 56.048 0.027 0.000 1.359 154 H CB 0.208 29.983 29.762 0.022 0.000 1.300 154 H HN 0.838 nan 8.280 nan 0.000 0.596 155 D N 0.924 121.387 120.400 0.104 0.000 2.149 155 D HA -0.178 4.464 4.640 0.003 0.000 0.198 155 D C 1.958 178.337 176.300 0.133 0.000 0.990 155 D CA 1.769 55.828 54.000 0.098 0.000 0.839 155 D CB -0.154 40.680 40.800 0.057 0.000 0.948 155 D HN 0.612 nan 8.370 nan 0.000 0.460 156 S N -0.201 115.589 115.700 0.150 0.000 2.383 156 S HA -0.150 4.322 4.470 0.003 0.000 0.229 156 S C 2.174 176.864 174.600 0.149 0.000 1.030 156 S CA 0.836 59.116 58.200 0.134 0.000 1.002 156 S CB -0.727 62.543 63.200 0.116 0.000 0.829 156 S HN 0.121 nan 8.310 nan 0.000 0.467 157 V N 1.903 121.916 119.914 0.164 0.000 2.270 157 V HA -0.127 3.995 4.120 0.003 0.000 0.245 157 V C 2.658 178.920 176.094 0.279 0.000 1.043 157 V CA 1.665 64.076 62.300 0.184 0.000 1.014 157 V CB -0.819 31.048 31.823 0.073 0.000 0.645 157 V HN 0.466 nan 8.190 nan 0.000 0.447 158 V N 1.081 121.128 119.914 0.223 0.000 2.407 158 V HA -0.176 3.946 4.120 0.003 0.000 0.248 158 V C 2.663 178.933 176.094 0.293 0.000 1.055 158 V CA 1.994 64.453 62.300 0.265 0.000 1.049 158 V CB -1.639 30.304 31.823 0.201 0.000 0.662 158 V HN 0.606 nan 8.190 nan 0.000 0.455 159 G N 0.310 109.252 108.800 0.235 0.000 2.476 159 G HA2 -0.270 3.692 3.960 0.003 0.000 0.218 159 G HA3 -0.270 3.692 3.960 0.003 0.000 0.218 159 G C 1.647 176.736 174.900 0.315 0.000 1.164 159 G CA 0.845 46.086 45.100 0.234 0.000 0.768 159 G HN 0.390 nan 8.290 nan 0.000 0.560 160 K N -0.058 120.542 120.400 0.333 0.000 2.063 160 K HA -0.043 4.279 4.320 0.003 0.000 0.208 160 K C 2.380 179.199 176.600 0.366 0.000 1.048 160 K CA 0.771 57.283 56.287 0.376 0.000 0.928 160 K CB -0.820 31.791 32.500 0.184 0.000 0.713 160 K HN 0.367 nan 8.250 nan 0.000 0.442 161 L N 1.260 122.739 121.223 0.426 0.000 2.056 161 L HA -0.064 4.279 4.340 0.003 0.000 0.207 161 L C 2.145 179.240 176.870 0.376 0.000 1.078 161 L CA 1.311 56.412 54.840 0.434 0.000 0.749 161 L CB -0.630 41.786 42.059 0.595 0.000 0.901 161 L HN 0.057 nan 8.230 nan 0.000 0.433 162 L N -1.849 119.576 121.223 0.338 0.000 2.012 162 L HA -0.277 4.065 4.340 0.003 0.000 0.210 162 L C 2.501 179.412 176.870 0.069 0.000 1.073 162 L CA 1.699 56.612 54.840 0.122 0.000 0.748 162 L CB -0.796 41.269 42.059 0.010 0.000 0.891 162 L HN 0.312 nan 8.230 nan 0.000 0.431 163 Y N 0.518 120.820 120.300 0.004 0.000 2.128 163 Y HA -0.324 4.227 4.550 0.003 0.000 0.284 163 Y C 2.498 178.312 175.900 -0.144 0.000 1.154 163 Y CA 1.311 59.369 58.100 -0.070 0.000 1.149 163 Y CB -0.474 37.826 38.460 -0.266 0.000 0.976 163 Y HN 0.137 nan 8.280 nan 0.000 0.505 164 A N -0.792 122.072 122.820 0.073 0.000 1.917 164 A HA -0.228 4.094 4.320 0.003 0.000 0.219 164 A C 2.352 179.856 177.584 -0.134 0.000 1.182 164 A CA 2.338 54.291 52.037 -0.140 0.000 0.633 164 A CB -1.375 17.282 19.000 -0.572 0.000 0.819 164 A HN 0.346 nan 8.150 nan 0.000 0.448 165 V N -0.388 119.489 119.914 -0.061 0.000 2.719 165 V HA -0.147 3.975 4.120 0.003 0.000 0.252 165 V C 2.138 178.142 176.094 -0.149 0.000 1.065 165 V CA 1.941 64.219 62.300 -0.036 0.000 1.086 165 V CB -0.547 31.365 31.823 0.149 0.000 0.700 165 V HN 0.646 nan 8.190 nan 0.000 0.467 166 E N -1.608 118.414 120.200 -0.296 0.000 2.385 166 E HA 0.073 4.425 4.350 0.003 0.000 0.194 166 E C 0.276 176.394 176.600 -0.803 0.000 1.013 166 E CA 0.259 56.312 56.400 -0.578 0.000 0.866 166 E CB 0.234 29.469 29.700 -0.776 0.000 0.832 166 E HN 0.725 nan 8.360 nan 0.000 0.500 178 V N 3.514 123.480 119.914 0.087 0.000 2.370 178 V HA -0.252 3.870 4.120 0.003 0.000 0.252 178 V C 1.637 177.795 176.094 0.105 0.000 1.068 178 V CA 2.871 65.225 62.300 0.090 0.000 1.061 178 V CB -1.077 30.818 31.823 0.119 0.000 0.656 178 V HN 0.581 nan 8.190 nan 0.000 0.455 179 D N -0.614 119.862 120.400 0.126 0.000 2.117 179 D HA -0.137 4.505 4.640 0.003 0.000 0.198 179 D C 2.212 178.698 176.300 0.311 0.000 0.982 179 D CA 1.754 55.870 54.000 0.193 0.000 0.828 179 D CB -0.492 40.374 40.800 0.110 0.000 0.967 179 D HN 0.410 nan 8.370 nan 0.000 0.464 180 T N 0.646 115.372 114.554 0.286 0.000 2.821 180 T HA -0.086 4.266 4.350 0.003 0.000 0.267 180 T C 1.901 176.680 174.700 0.131 0.000 1.046 180 T CA 0.730 63.005 62.100 0.291 0.000 1.139 180 T CB -0.070 68.954 68.868 0.260 0.000 0.871 180 T HN 0.068 nan 8.240 nan 0.000 0.454 181 M N 1.515 121.170 119.600 0.092 0.000 2.065 181 M HA -0.044 4.438 4.480 0.003 0.000 0.259 181 M C 2.889 179.192 176.300 0.005 0.000 1.069 181 M CA 1.759 57.083 55.300 0.039 0.000 1.110 181 M CB -1.508 31.109 32.600 0.028 0.000 1.328 181 M HN 0.342 nan 8.290 nan 0.000 0.405 182 A N -0.216 122.618 122.820 0.023 0.000 1.877 182 A HA -0.213 4.109 4.320 0.003 0.000 0.216 182 A C 2.247 179.808 177.584 -0.039 0.000 1.186 182 A CA 2.038 54.072 52.037 -0.005 0.000 0.620 182 A CB -0.634 18.380 19.000 0.024 0.000 0.822 182 A HN 0.442 nan 8.150 nan 0.000 0.443 183 M N 0.049 119.630 119.600 -0.032 0.000 2.099 183 M HA 0.011 4.493 4.480 0.003 0.000 0.262 183 M C 2.227 178.404 176.300 -0.206 0.000 1.067 183 M CA 1.655 56.875 55.300 -0.134 0.000 1.124 183 M CB -0.736 31.667 32.600 -0.329 0.000 1.353 183 M HN 0.390 nan 8.290 nan 0.000 0.410 184 A N -0.432 122.251 122.820 -0.227 0.000 1.892 184 A HA -0.078 4.244 4.320 0.003 0.000 0.218 184 A C 2.359 179.465 177.584 -0.796 0.000 1.188 184 A CA 2.048 53.775 52.037 -0.516 0.000 0.631 184 A CB -1.885 16.901 19.000 -0.357 0.000 0.822 184 A HN 0.613 nan 8.150 nan 0.000 0.447 185 G N -0.748 107.853 108.800 -0.331 0.000 2.446 185 G HA2 -0.275 3.687 3.960 0.003 0.000 0.217 185 G HA3 -0.275 3.687 3.960 0.003 0.000 0.217 185 G C 1.662 176.509 174.900 -0.089 0.000 1.168 185 G CA 1.312 46.348 45.100 -0.107 0.000 0.771 185 G HN 0.478 nan 8.290 nan 0.000 0.551 186 M N 0.682 120.221 119.600 -0.102 0.000 2.175 186 M HA 0.017 4.499 4.480 0.003 0.000 0.264 186 M C 3.065 179.339 176.300 -0.042 0.000 1.063 186 M CA 1.188 56.463 55.300 -0.041 0.000 1.119 186 M CB -0.243 32.348 32.600 -0.014 0.000 1.377 186 M HN 0.339 nan 8.290 nan 0.000 0.415 187 A N 0.684 123.420 122.820 -0.141 0.000 1.883 187 A HA -0.170 4.152 4.320 0.003 0.000 0.217 187 A C 1.785 179.386 177.584 0.028 0.000 1.186 187 A CA 1.617 53.590 52.037 -0.107 0.000 0.624 187 A CB -0.904 17.971 19.000 -0.208 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.444 188 F N 0.352 120.324 119.950 0.038 0.000 2.069 188 F HA -0.146 4.383 4.527 0.003 0.000 0.298 188 F C 3.013 178.827 175.800 0.023 0.000 1.113 188 F CA 0.980 58.998 58.000 0.031 0.000 1.214 188 F CB -1.351 37.662 39.000 0.022 0.000 0.978 188 F HN 0.281 nan 8.300 nan 0.000 0.474 189 S N -0.622 115.206 115.700 0.213 0.000 2.368 189 S HA -0.302 4.170 4.470 0.003 0.000 0.226 189 S C 2.471 177.127 174.600 0.092 0.000 1.044 189 S CA 1.840 60.111 58.200 0.119 0.000 1.062 189 S CB -1.089 62.156 63.200 0.074 0.000 0.931 189 S HN 0.546 nan 8.310 nan 0.000 0.440 190 c N 0.953 119.602 118.600 0.082 0.000 2.413 190 c HA 0.025 4.597 4.570 0.003 0.000 0.276 190 c C 2.538 176.675 174.090 0.079 0.000 1.248 190 c CA 1.091 57.461 56.329 0.068 0.000 1.742 190 c CB -1.729 40.814 42.510 0.056 0.000 2.017 190 c HN 0.709 nan 8.230 nan 0.000 0.481 191 L N 0.274 121.561 121.223 0.107 0.000 2.156 191 L HA -0.082 4.260 4.340 0.003 0.000 0.208 191 L C 2.695 179.613 176.870 0.080 0.000 1.095 191 L CA 1.795 56.697 54.840 0.103 0.000 0.770 191 L CB -0.791 41.353 42.059 0.141 0.000 0.914 191 L HN 0.483 nan 8.230 nan 0.000 0.439 192 E N 0.763 121.012 120.200 0.081 0.000 2.028 192 E HA -0.201 4.151 4.350 0.003 0.000 0.191 192 E C 2.325 178.951 176.600 0.044 0.000 0.988 192 E CA 1.042 57.474 56.400 0.054 0.000 0.799 192 E CB -0.007 29.724 29.700 0.052 0.000 0.755 192 E HN 0.437 nan 8.360 nan 0.000 0.447 193 L N 0.416 121.668 121.223 0.047 0.000 2.201 193 L HA -0.100 4.242 4.340 0.003 0.000 0.212 193 L C 2.342 179.235 176.870 0.038 0.000 1.105 193 L CA 0.682 55.544 54.840 0.038 0.000 0.775 193 L CB -0.021 42.060 42.059 0.037 0.000 0.913 193 L HN 0.058 nan 8.230 nan 0.000 0.440 194 S N -1.064 114.663 115.700 0.045 0.000 2.503 194 S HA -0.013 4.459 4.470 0.003 0.000 0.217 194 S C 0.757 175.379 174.600 0.037 0.000 0.999 194 S CA -0.002 58.225 58.200 0.044 0.000 0.914 194 S CB -0.154 63.079 63.200 0.055 0.000 0.782 194 S HN 0.482 nan 8.310 nan 0.000 0.520 195 N N 0.817 119.538 118.700 0.035 0.000 2.707 195 N HA -0.171 4.571 4.740 0.003 0.000 0.253 195 N C 0.389 175.916 175.510 0.028 0.000 0.998 195 N CA 0.202 53.269 53.050 0.028 0.000 0.751 195 N CB -1.577 36.922 38.487 0.019 0.000 0.920 195 N HN 0.393 nan 8.380 nan 0.000 0.539 196 L N -1.096 120.150 121.223 0.038 0.000 2.240 196 L HA 0.007 4.349 4.340 0.003 0.000 0.211 196 L C 0.172 177.062 176.870 0.032 0.000 1.106 196 L CA 0.977 55.840 54.840 0.037 0.000 0.793 196 L CB -0.076 42.013 42.059 0.051 0.000 0.927 196 L HN 0.345 nan 8.230 nan 0.000 0.446 197 N N 0.002 118.724 118.700 0.037 0.000 2.851 197 N HA 0.139 4.881 4.740 0.003 0.000 0.248 197 N C -1.985 173.538 175.510 0.022 0.000 1.221 197 N CA -0.951 52.117 53.050 0.031 0.000 0.847 197 N CB 1.141 39.656 38.487 0.047 0.000 1.150 197 N HN -0.050 nan 8.380 nan 0.000 0.507 198 P HA -0.141 nan 4.420 nan 0.000 0.223 198 P C 0.664 177.968 177.300 0.006 0.000 1.151 198 P CA 0.893 63.998 63.100 0.009 0.000 0.787 198 P CB 0.393 32.097 31.700 0.006 0.000 0.788 199 K N 0.271 120.676 120.400 0.008 0.000 2.589 199 K HA -0.049 4.273 4.320 0.003 0.000 0.192 199 K C 1.253 177.858 176.600 0.009 0.000 1.029 199 K CA 0.674 56.966 56.287 0.007 0.000 1.031 199 K CB 0.024 32.528 32.500 0.008 0.000 0.821 199 K HN 0.490 nan 8.250 nan 0.000 0.502 200 Q N -1.527 118.277 119.800 0.007 0.000 1.906 200 Q HA 0.140 4.482 4.340 0.003 0.000 0.199 200 Q C 1.023 177.014 176.000 -0.016 0.000 0.816 200 Q CA -0.292 55.510 55.803 -0.002 0.000 0.951 200 Q CB -0.014 28.729 28.738 0.009 0.000 1.246 200 Q HN -0.064 nan 8.270 nan 0.000 0.407 201 R N 1.620 122.115 120.500 -0.009 0.000 2.117 201 R HA -0.211 4.131 4.340 0.003 0.000 0.243 201 R C 1.315 177.598 176.300 -0.028 0.000 1.143 201 R CA 2.313 58.405 56.100 -0.012 0.000 0.968 201 R CB 0.060 30.357 30.300 -0.004 0.000 0.863 201 R HN 0.356 nan 8.270 nan 0.000 0.444 202 N N 0.559 119.241 118.700 -0.030 0.000 2.135 202 N HA -0.151 4.591 4.740 0.003 0.000 0.186 202 N C 1.924 177.395 175.510 -0.065 0.000 1.027 202 N CA 1.418 54.444 53.050 -0.040 0.000 0.849 202 N CB -0.195 38.274 38.487 -0.030 0.000 1.002 202 N HN 0.167 nan 8.380 nan 0.000 0.425 203 R N -0.015 120.442 120.500 -0.072 0.000 2.096 203 R HA -0.004 4.338 4.340 0.003 0.000 0.235 203 R C 2.051 178.240 176.300 -0.186 0.000 1.127 203 R CA 1.140 57.175 56.100 -0.109 0.000 0.968 203 R CB -0.256 29.994 30.300 -0.082 0.000 0.861 203 R HN 0.331 nan 8.270 nan 0.000 0.440 204 I N 0.910 121.371 120.570 -0.180 0.000 2.179 204 I HA -0.307 3.865 4.170 0.003 0.000 0.242 204 I C 2.244 178.226 176.117 -0.224 0.000 1.088 204 I CA 1.271 62.407 61.300 -0.274 0.000 1.357 204 I CB -0.486 37.434 38.000 -0.133 0.000 1.051 204 I HN 0.250 nan 8.210 nan 0.000 0.409 205 N N 1.233 119.863 118.700 -0.118 0.000 2.036 205 N HA -0.206 4.536 4.740 0.003 0.000 0.195 205 N C 1.712 177.165 175.510 -0.095 0.000 1.037 205 N CA 1.761 54.765 53.050 -0.077 0.000 0.855 205 N CB -0.288 38.170 38.487 -0.049 0.000 1.033 205 N HN 0.079 nan 8.380 nan 0.000 0.423 206 L N 0.473 121.627 121.223 -0.115 0.000 2.127 206 L HA -0.034 4.308 4.340 0.003 0.000 0.211 206 L C 2.295 179.075 176.870 -0.150 0.000 1.089 206 L CA 1.660 56.430 54.840 -0.117 0.000 0.757 206 L CB -1.021 40.967 42.059 -0.118 0.000 0.899 206 L HN 0.247 nan 8.230 nan 0.000 0.434 207 A N -1.157 121.521 122.820 -0.236 0.000 1.969 207 A HA -0.116 4.206 4.320 0.003 0.000 0.218 207 A C 2.315 179.827 177.584 -0.119 0.000 1.169 207 A CA 1.252 53.109 52.037 -0.299 0.000 0.635 207 A CB -0.604 17.961 19.000 -0.726 0.000 0.810 207 A HN 0.368 nan 8.150 nan 0.000 0.445 208 L N -0.844 120.341 121.223 -0.064 0.000 2.093 208 L HA -0.172 4.170 4.340 0.003 0.000 0.208 208 L C 2.573 179.454 176.870 0.018 0.000 1.085 208 L CA 1.772 56.650 54.840 0.064 0.000 0.755 208 L CB -0.264 41.833 42.059 0.065 0.000 0.904 208 L HN 0.389 nan 8.230 nan 0.000 0.435 209 K N 0.089 120.475 120.400 -0.022 0.000 2.032 209 K HA -0.187 4.135 4.320 0.003 0.000 0.209 209 K C 2.283 178.865 176.600 -0.030 0.000 1.048 209 K CA 1.380 57.650 56.287 -0.028 0.000 0.927 209 K CB -0.125 32.352 32.500 -0.039 0.000 0.712 209 K HN -0.018 nan 8.250 nan 0.000 0.441 210 R N 0.187 120.662 120.500 -0.042 0.000 2.083 210 R HA -0.119 4.223 4.340 0.003 0.000 0.237 210 R C 2.251 178.543 176.300 -0.014 0.000 1.137 210 R CA 1.673 57.748 56.100 -0.043 0.000 0.951 210 R CB -0.845 29.411 30.300 -0.073 0.000 0.851 210 R HN 0.158 nan 8.270 nan 0.000 0.434 211 V N 1.196 121.126 119.914 0.025 0.000 2.255 211 V HA -0.315 3.807 4.120 0.003 0.000 0.247 211 V C 2.662 178.749 176.094 -0.013 0.000 1.051 211 V CA 2.198 64.523 62.300 0.042 0.000 1.018 211 V CB -0.615 31.281 31.823 0.122 0.000 0.641 211 V HN 0.449 nan 8.190 nan 0.000 0.445 212 Q N -0.213 119.574 119.800 -0.022 0.000 2.096 212 Q HA -0.319 4.023 4.340 0.003 0.000 0.208 212 Q C 2.223 178.180 176.000 -0.071 0.000 0.993 212 Q CA 2.568 58.334 55.803 -0.063 0.000 0.862 212 Q CB -0.200 28.512 28.738 -0.044 0.000 0.915 212 Q HN 0.733 nan 8.270 nan 0.000 0.416 213 E N 0.013 120.188 120.200 -0.041 0.000 2.038 213 E HA -0.203 4.149 4.350 0.003 0.000 0.195 213 E C 2.015 178.600 176.600 -0.026 0.000 1.000 213 E CA 1.568 57.950 56.400 -0.030 0.000 0.803 213 E CB 0.073 29.759 29.700 -0.024 0.000 0.750 213 E HN 0.299 nan 8.360 nan 0.000 0.448 214 K N 0.088 120.473 120.400 -0.024 0.000 2.211 214 K HA -0.101 4.221 4.320 0.003 0.000 0.203 214 K C 2.083 178.674 176.600 -0.014 0.000 1.050 214 K CA 0.772 57.053 56.287 -0.010 0.000 0.945 214 K CB -0.013 32.485 32.500 -0.003 0.000 0.732 214 K HN 0.194 nan 8.250 nan 0.000 0.451 215 I N 1.087 121.616 120.570 -0.069 0.000 2.193 215 I HA -0.273 3.899 4.170 0.003 0.000 0.240 215 I C 2.128 178.166 176.117 -0.132 0.000 1.084 215 I CA 1.188 62.398 61.300 -0.150 0.000 1.365 215 I CB -0.309 37.507 38.000 -0.306 0.000 1.064 215 I HN 0.060 nan 8.210 nan 0.000 0.410 216 L N 0.600 121.742 121.223 -0.136 0.000 2.079 216 L HA -0.235 4.107 4.340 0.003 0.000 0.210 216 L C 2.575 179.526 176.870 0.135 0.000 1.081 216 L CA 1.395 56.275 54.840 0.067 0.000 0.752 216 L CB -0.774 41.315 42.059 0.050 0.000 0.896 216 L HN 0.229 nan 8.230 nan 0.000 0.433 217 K N 0.789 121.229 120.400 0.067 0.000 2.103 217 K HA -0.178 4.144 4.320 0.003 0.000 0.207 217 K C 2.004 178.662 176.600 0.097 0.000 1.048 217 K CA 1.377 57.705 56.287 0.068 0.000 0.930 217 K CB -0.087 32.436 32.500 0.039 0.000 0.716 217 K HN 0.321 nan 8.250 nan 0.000 0.444 218 A N 0.841 123.734 122.820 0.122 0.000 2.206 218 A HA -0.062 4.260 4.320 0.003 0.000 0.211 218 A C 0.825 178.528 177.584 0.198 0.000 1.158 218 A CA 0.106 52.229 52.037 0.144 0.000 0.761 218 A CB -0.257 18.825 19.000 0.137 0.000 0.801 218 A HN 0.486 nan 8.150 nan 0.000 0.473 219 Q N 1.283 121.236 119.800 0.255 0.000 2.330 219 Q HA 0.240 4.582 4.340 0.003 0.000 0.279 219 Q C 0.337 176.387 176.000 0.083 0.000 1.024 219 Q CA 0.539 56.462 55.803 0.201 0.000 0.900 219 Q CB 0.473 29.317 28.738 0.176 0.000 1.221 219 Q HN 0.514 nan 8.270 nan 0.000 0.396 220 T N 0.922 115.499 114.554 0.038 0.000 2.934 220 T HA 0.356 4.708 4.350 0.003 0.000 0.283 220 T C -1.874 172.800 174.700 -0.043 0.000 1.005 220 T CA -1.841 60.274 62.100 0.025 0.000 1.041 220 T CB 1.038 69.953 68.868 0.078 0.000 1.042 220 T HN 0.451 nan 8.240 nan 0.000 0.505 221 P HA -0.180 nan 4.420 nan 0.000 0.220 221 P C 1.052 178.278 177.300 -0.123 0.000 1.155 221 P CA 1.410 64.475 63.100 -0.059 0.000 0.880 221 P CB -0.012 31.669 31.700 -0.033 0.000 0.790 222 E N -2.209 117.890 120.200 -0.169 0.000 2.268 222 E HA 0.091 4.443 4.350 0.003 0.000 0.195 222 E C 1.650 177.941 176.600 -0.515 0.000 0.995 222 E CA 1.242 57.444 56.400 -0.330 0.000 0.836 222 E CB -0.659 28.806 29.700 -0.391 0.000 0.763 222 E HN 0.337 nan 8.360 nan 0.000 0.491 223 G N -1.133 107.400 108.800 -0.444 0.000 2.255 223 G HA2 -0.224 3.738 3.960 0.003 0.000 0.196 223 G HA3 -0.224 3.738 3.960 0.003 0.000 0.196 223 G C -0.403 174.193 174.900 -0.507 0.000 0.998 223 G CA -0.404 44.424 45.100 -0.454 0.000 0.656 223 G HN 0.136 nan 8.290 nan 0.000 0.490 224 Y N 0.760 120.927 120.300 -0.222 0.000 2.425 224 Y HA 0.559 5.111 4.550 0.003 0.000 0.331 224 Y C 0.645 176.426 175.900 -0.198 0.000 1.157 224 Y CA -0.896 57.079 58.100 -0.208 0.000 1.372 224 Y CB 0.140 38.546 38.460 -0.091 0.000 1.253 224 Y HN 0.046 nan 8.280 nan 0.000 0.536 225 F N 2.751 122.810 119.950 0.183 0.000 2.494 225 F HA 0.387 4.916 4.527 0.003 0.000 0.351 225 F C 1.221 177.087 175.800 0.111 0.000 1.205 225 F CA 0.222 58.291 58.000 0.115 0.000 1.125 225 F CB 0.007 39.059 39.000 0.086 0.000 1.268 225 F HN 0.815 nan 8.300 nan 0.000 0.593 226 G N 3.171 112.129 108.800 0.263 0.000 5.347 226 G HA2 -0.339 3.623 3.960 0.003 0.000 0.299 226 G HA3 -0.339 3.623 3.960 0.003 0.000 0.299 226 G C -0.050 174.927 174.900 0.127 0.000 1.492 226 G CA 0.381 45.582 45.100 0.169 0.000 0.991 226 G HN 0.890 nan 8.290 nan 0.000 0.749 227 N N -1.444 117.305 118.700 0.082 0.000 2.853 227 N HA 0.586 5.328 4.740 0.003 0.000 0.258 227 N C 0.649 175.999 175.510 -0.266 0.000 1.444 227 N CA 0.438 53.442 53.050 -0.075 0.000 0.837 227 N CB 1.305 39.745 38.487 -0.078 0.000 1.489 227 N HN 1.095 nan 8.380 nan 0.000 0.529 228 V N -0.066 119.322 119.914 -0.875 0.000 2.370 228 V HA -0.279 3.843 4.120 0.003 0.000 0.252 228 V C 1.079 176.917 176.094 -0.426 0.000 1.068 228 V CA 1.884 63.592 62.300 -0.986 0.000 1.061 228 V CB -0.893 30.106 31.823 -1.374 0.000 0.656 228 V HN 0.644 nan 8.190 nan 0.000 0.455 229 Y N 0.529 120.710 120.300 -0.197 0.000 2.395 229 Y HA 0.003 4.554 4.550 0.003 0.000 0.293 229 Y C 2.736 178.665 175.900 0.048 0.000 1.123 229 Y CA 1.281 59.334 58.100 -0.077 0.000 1.227 229 Y CB -0.525 37.838 38.460 -0.162 0.000 1.012 229 Y HN 0.288 nan 8.280 nan 0.000 0.552 230 S N -1.056 114.744 115.700 0.167 0.000 2.489 230 S HA -0.116 4.356 4.470 0.003 0.000 0.228 230 S C 1.938 176.657 174.600 0.198 0.000 0.995 230 S CA 1.250 59.548 58.200 0.164 0.000 0.934 230 S CB -0.484 62.803 63.200 0.144 0.000 0.771 230 S HN 0.454 nan 8.310 nan 0.000 0.522 231 T N 3.189 117.869 114.554 0.210 0.000 2.674 231 T HA -0.054 4.298 4.350 0.003 0.000 0.265 231 T C -0.642 174.190 174.700 0.220 0.000 1.039 231 T CA 1.276 63.533 62.100 0.262 0.000 1.150 231 T CB -1.542 67.469 68.868 0.239 0.000 0.864 231 T HN 0.315 nan 8.240 nan 0.000 0.427 232 P HA -0.065 nan 4.420 nan 0.000 0.215 232 P C 1.683 179.017 177.300 0.058 0.000 1.163 232 P CA 1.006 64.165 63.100 0.097 0.000 0.894 232 P CB -0.214 31.547 31.700 0.102 0.000 0.791 233 L N -1.504 119.765 121.223 0.077 0.000 2.083 233 L HA -0.169 4.173 4.340 0.003 0.000 0.209 233 L C 2.379 179.263 176.870 0.024 0.000 1.083 233 L CA 1.470 56.324 54.840 0.023 0.000 0.752 233 L CB -0.865 41.248 42.059 0.089 0.000 0.899 233 L HN -0.039 nan 8.230 nan 0.000 0.433 234 A N -0.114 122.756 122.820 0.083 0.000 1.902 234 A HA -0.187 4.135 4.320 0.003 0.000 0.217 234 A C 2.163 179.758 177.584 0.019 0.000 1.181 234 A CA 1.316 53.376 52.037 0.038 0.000 0.623 234 A CB -0.640 18.422 19.000 0.103 0.000 0.818 234 A HN 0.384 nan 8.150 nan 0.000 0.443 235 L N -0.723 120.561 121.223 0.103 0.000 2.131 235 L HA -0.241 4.101 4.340 0.003 0.000 0.210 235 L C 2.889 179.764 176.870 0.007 0.000 1.092 235 L CA 1.268 56.159 54.840 0.086 0.000 0.759 235 L CB -0.527 41.599 42.059 0.112 0.000 0.903 235 L HN 0.512 nan 8.230 nan 0.000 0.435 236 Q N -0.367 119.412 119.800 -0.035 0.000 2.061 236 Q HA -0.251 4.091 4.340 0.003 0.000 0.204 236 Q C 2.303 178.265 176.000 -0.062 0.000 0.984 236 Q CA 1.411 57.164 55.803 -0.084 0.000 0.846 236 Q CB -0.202 28.424 28.738 -0.187 0.000 0.902 236 Q HN 0.457 nan 8.270 nan 0.000 0.421 237 L N 0.663 121.852 121.223 -0.057 0.000 2.093 237 L HA -0.121 4.221 4.340 0.003 0.000 0.208 237 L C 1.970 178.817 176.870 -0.038 0.000 1.085 237 L CA 1.355 56.169 54.840 -0.044 0.000 0.755 237 L CB -0.341 41.689 42.059 -0.048 0.000 0.904 237 L HN 0.321 nan 8.230 nan 0.000 0.435 238 L N -0.237 120.959 121.223 -0.046 0.000 2.240 238 L HA -0.167 4.175 4.340 0.003 0.000 0.211 238 L C 2.736 179.599 176.870 -0.011 0.000 1.106 238 L CA 0.989 55.804 54.840 -0.042 0.000 0.793 238 L CB -0.260 41.759 42.059 -0.067 0.000 0.927 238 L HN 0.389 nan 8.230 nan 0.000 0.446 239 M N -1.531 118.067 119.600 -0.003 0.000 2.632 239 M HA 0.056 4.538 4.480 0.003 0.000 0.256 239 M C 1.648 177.946 176.300 -0.002 0.000 1.080 239 M CA 1.585 56.886 55.300 0.001 0.000 1.084 239 M CB -0.720 31.879 32.600 -0.001 0.000 1.439 239 M HN 0.045 nan 8.290 nan 0.000 0.509 240 G N 0.201 108.998 108.800 -0.005 0.000 2.813 240 G HA2 0.184 4.146 3.960 0.003 0.000 0.209 240 G HA3 0.184 4.146 3.960 0.003 0.000 0.209 240 G C 0.662 175.564 174.900 0.004 0.000 1.150 240 G CA 0.435 45.535 45.100 0.001 0.000 0.785 240 G HN 0.629 nan 8.290 nan 0.000 0.535 241 S N 0.234 115.935 115.700 0.001 0.000 4.108 241 S HA -0.342 4.130 4.470 0.003 0.000 0.550 241 S C 1.117 175.719 174.600 0.003 0.000 1.916 241 S CA 1.056 59.257 58.200 0.002 0.000 4.207 241 S CB -1.187 62.015 63.200 0.004 0.000 0.522 241 S HN 1.041 nan 8.310 nan 0.000 0.534 242 L N -0.254 120.971 121.223 0.004 0.000 3.839 242 L HA -0.228 4.115 4.340 0.003 0.000 0.416 242 L C 0.622 177.492 176.870 0.001 0.000 1.195 242 L CA 1.077 55.919 54.840 0.004 0.000 0.946 242 L CB -0.953 41.110 42.059 0.007 0.000 1.891 242 L HN 0.591 nan 8.230 nan 0.000 0.963 243 R N -1.193 119.307 120.500 -0.000 0.000 2.430 243 R HA 0.219 4.561 4.340 0.003 0.000 0.325 243 R C -2.611 173.689 176.300 -0.000 0.000 1.048 243 R CA -0.705 55.394 56.100 -0.002 0.000 1.183 243 R CB 0.510 30.806 30.300 -0.006 0.000 1.406 243 R HN -0.061 nan 8.270 nan 0.000 0.694 244 P HA 0.176 nan 4.420 nan 0.000 0.276 244 P C -0.468 176.835 177.300 0.006 0.000 1.253 244 P CA 0.058 63.161 63.100 0.005 0.000 0.766 244 P CB 1.606 33.309 31.700 0.006 0.000 0.845 245 S N 1.316 117.022 115.700 0.009 0.000 2.851 245 S HA 0.433 4.905 4.470 0.003 0.000 0.317 245 S C 0.774 175.382 174.600 0.013 0.000 1.144 245 S CA -0.584 57.622 58.200 0.009 0.000 0.862 245 S CB 0.634 63.838 63.200 0.007 0.000 1.259 245 S HN 0.015 nan 8.310 nan 0.000 0.564 246 V N 1.672 121.593 119.914 0.013 0.000 2.725 246 V HA 0.041 4.163 4.120 0.003 0.000 0.247 246 V C 2.556 178.662 176.094 0.020 0.000 1.058 246 V CA 1.319 63.627 62.300 0.014 0.000 1.080 246 V CB -1.009 30.820 31.823 0.010 0.000 0.713 246 V HN 0.903 nan 8.190 nan 0.000 0.465 247 E N 1.001 121.214 120.200 0.022 0.000 2.072 247 E HA -0.172 4.180 4.350 0.003 0.000 0.190 247 E C 2.201 178.830 176.600 0.048 0.000 0.982 247 E CA 0.980 57.399 56.400 0.032 0.000 0.803 247 E CB -0.493 29.223 29.700 0.028 0.000 0.755 247 E HN 0.474 nan 8.360 nan 0.000 0.453 248 L N 1.870 123.117 121.223 0.040 0.000 2.141 248 L HA 0.085 4.427 4.340 0.003 0.000 0.209 248 L C 2.232 179.141 176.870 0.065 0.000 1.094 248 L CA 2.071 56.942 54.840 0.051 0.000 0.763 248 L CB -0.889 41.185 42.059 0.024 0.000 0.908 248 L HN 0.169 nan 8.230 nan 0.000 0.437 249 G N -1.725 107.102 108.800 0.045 0.000 2.404 249 G HA2 -0.216 3.746 3.960 0.003 0.000 0.215 249 G HA3 -0.216 3.746 3.960 0.003 0.000 0.215 249 G C 1.391 176.317 174.900 0.043 0.000 1.174 249 G CA 1.077 46.201 45.100 0.040 0.000 0.780 249 G HN 0.413 nan 8.290 nan 0.000 0.537 250 T N 2.010 116.587 114.554 0.038 0.000 2.622 250 T HA -0.088 4.264 4.350 0.003 0.000 0.266 250 T C 2.821 177.544 174.700 0.039 0.000 1.047 250 T CA 1.910 64.027 62.100 0.028 0.000 1.159 250 T CB -0.638 68.244 68.868 0.022 0.000 0.863 250 T HN 0.384 nan 8.240 nan 0.000 0.422 251 A N 0.862 123.733 122.820 0.086 0.000 1.869 251 A HA -0.219 4.103 4.320 0.003 0.000 0.218 251 A C 2.780 180.450 177.584 0.144 0.000 1.203 251 A CA 2.028 54.156 52.037 0.152 0.000 0.638 251 A CB -1.528 17.664 19.000 0.320 0.000 0.831 251 A HN 0.646 nan 8.150 nan 0.000 0.450 252 c N -0.846 117.878 118.600 0.205 0.000 2.413 252 c HA -0.106 4.466 4.570 0.003 0.000 0.276 252 c C 2.698 176.818 174.090 0.050 0.000 1.236 252 c CA 1.117 57.548 56.329 0.171 0.000 1.735 252 c CB -1.596 40.999 42.510 0.141 0.000 2.031 252 c HN 0.628 nan 8.230 nan 0.000 0.474 253 L N 0.280 121.518 121.223 0.025 0.000 2.012 253 L HA -0.225 4.117 4.340 0.003 0.000 0.210 253 L C 2.651 179.493 176.870 -0.046 0.000 1.073 253 L CA 1.747 56.583 54.840 -0.007 0.000 0.748 253 L CB -0.745 41.311 42.059 -0.005 0.000 0.891 253 L HN 0.387 nan 8.230 nan 0.000 0.431 254 K N -0.150 120.206 120.400 -0.072 0.000 2.026 254 K HA -0.177 4.145 4.320 0.003 0.000 0.208 254 K C 2.219 178.696 176.600 -0.204 0.000 1.048 254 K CA 1.468 57.676 56.287 -0.131 0.000 0.929 254 K CB -0.237 32.179 32.500 -0.140 0.000 0.713 254 K HN 0.294 nan 8.250 nan 0.000 0.439 255 A N 1.599 124.254 122.820 -0.275 0.000 1.883 255 A HA -0.252 4.070 4.320 0.003 0.000 0.217 255 A C 1.879 179.375 177.584 -0.147 0.000 1.186 255 A CA 1.856 53.678 52.037 -0.357 0.000 0.624 255 A CB -0.389 18.263 19.000 -0.581 0.000 0.822 255 A HN 0.247 nan 8.150 nan 0.000 0.444 256 K N -0.461 119.897 120.400 -0.071 0.000 2.026 256 K HA -0.039 4.283 4.320 0.003 0.000 0.208 256 K C 2.374 178.955 176.600 -0.032 0.000 1.048 256 K CA 1.136 57.409 56.287 -0.024 0.000 0.929 256 K CB -0.376 32.121 32.500 -0.006 0.000 0.713 256 K HN 0.429 nan 8.250 nan 0.000 0.439 257 A N 1.687 124.476 122.820 -0.053 0.000 1.908 257 A HA -0.156 4.166 4.320 0.003 0.000 0.218 257 A C 2.400 179.949 177.584 -0.058 0.000 1.181 257 A CA 1.954 53.961 52.037 -0.049 0.000 0.627 257 A CB -0.760 18.204 19.000 -0.059 0.000 0.818 257 A HN 0.354 nan 8.150 nan 0.000 0.445 258 A N -0.868 121.879 122.820 -0.122 0.000 1.933 258 A HA -0.015 4.307 4.320 0.003 0.000 0.218 258 A C 2.126 179.726 177.584 0.026 0.000 1.175 258 A CA 1.749 53.671 52.037 -0.191 0.000 0.628 258 A CB -0.491 18.206 19.000 -0.504 0.000 0.814 258 A HN 0.587 nan 8.150 nan 0.000 0.444 259 L N -0.312 120.959 121.223 0.081 0.000 2.044 259 L HA -0.121 4.221 4.340 0.003 0.000 0.205 259 L C 2.518 179.462 176.870 0.124 0.000 1.075 259 L CA 1.948 56.894 54.840 0.176 0.000 0.747 259 L CB -0.678 41.450 42.059 0.116 0.000 0.903 259 L HN 0.430 nan 8.230 nan 0.000 0.435 260 Q N -0.287 119.546 119.800 0.054 0.000 2.197 260 Q HA -0.220 4.122 4.340 0.003 0.000 0.207 260 Q C 2.177 178.211 176.000 0.058 0.000 0.984 260 Q CA 1.658 57.481 55.803 0.033 0.000 0.869 260 Q CB -0.568 28.173 28.738 0.006 0.000 0.906 260 Q HN 0.666 nan 8.270 nan 0.000 0.426 261 A N 1.645 124.514 122.820 0.083 0.000 1.902 261 A HA -0.167 4.155 4.320 0.003 0.000 0.217 261 A C 2.365 180.098 177.584 0.248 0.000 1.181 261 A CA 1.866 53.980 52.037 0.127 0.000 0.623 261 A CB -0.505 18.555 19.000 0.099 0.000 0.818 261 A HN 0.483 nan 8.150 nan 0.000 0.443 262 S N -0.940 114.919 115.700 0.264 0.000 2.489 262 S HA 0.023 4.495 4.470 0.003 0.000 0.228 262 S C 1.474 176.234 174.600 0.265 0.000 0.995 262 S CA 0.945 59.335 58.200 0.318 0.000 0.934 262 S CB -0.309 63.036 63.200 0.242 0.000 0.771 262 S HN 0.187 nan 8.310 nan 0.000 0.522 263 L N 1.610 122.938 121.223 0.174 0.000 2.291 263 L HA 0.133 4.475 4.340 0.003 0.000 0.214 263 L C 2.317 179.196 176.870 0.015 0.000 1.120 263 L CA 1.304 56.207 54.840 0.105 0.000 0.799 263 L CB -0.819 41.261 42.059 0.036 0.000 0.925 263 L HN 0.385 nan 8.230 nan 0.000 0.446 264 Q N -1.418 118.324 119.800 -0.097 0.000 2.403 264 Q HA 0.002 4.344 4.340 0.003 0.000 0.203 264 Q C 0.372 176.089 176.000 -0.472 0.000 0.932 264 Q CA 0.506 56.132 55.803 -0.296 0.000 0.945 264 Q CB -0.072 28.421 28.738 -0.408 0.000 1.045 264 Q HN 0.617 nan 8.270 nan 0.000 0.511 265 H N -0.254 118.852 119.070 0.059 0.000 2.649 265 H HA 0.248 4.806 4.556 0.004 0.000 0.258 265 H C -0.377 174.987 175.328 0.060 0.000 1.165 265 H CA -0.423 55.656 56.048 0.051 0.000 1.006 265 H CB 0.530 30.319 29.762 0.044 0.000 1.743 265 H HN 0.026 nan 8.280 nan 0.000 0.609 266 K N -0.621 119.861 120.400 0.136 0.000 3.016 266 K HA -0.247 4.075 4.320 0.003 0.000 0.262 266 K C 0.607 177.302 176.600 0.158 0.000 1.043 266 K CA 0.900 57.268 56.287 0.134 0.000 0.761 266 K CB -1.627 30.930 32.500 0.094 0.000 1.230 266 K HN 0.365 nan 8.250 nan 0.000 0.485 267 T N 0.005 114.669 114.554 0.185 0.000 2.788 267 T HA -0.112 4.240 4.350 0.003 0.000 0.268 267 T C 0.554 175.295 174.700 0.068 0.000 1.044 267 T CA 1.125 63.277 62.100 0.088 0.000 1.139 267 T CB -0.115 68.752 68.868 -0.002 0.000 0.867 267 T HN 0.203 nan 8.240 nan 0.000 0.454 268 F N 2.004 122.038 119.950 0.141 0.000 2.390 268 F HA 0.346 4.875 4.527 0.004 0.000 0.361 268 F C 1.348 177.226 175.800 0.129 0.000 1.124 268 F CA -0.586 57.529 58.000 0.192 0.000 1.149 268 F CB 1.101 40.186 39.000 0.141 0.000 1.160 268 F HN -0.111 nan 8.300 nan 0.000 0.501 269 Q N 1.021 120.953 119.800 0.219 0.000 2.288 269 Q HA 0.057 4.399 4.340 0.003 0.000 0.256 269 Q C 0.236 176.304 176.000 0.114 0.000 0.835 269 Q CA 0.069 55.961 55.803 0.149 0.000 0.958 269 Q CB 0.334 29.132 28.738 0.100 0.000 1.125 269 Q HN 0.585 nan 8.270 nan 0.000 0.513 270 N N 2.679 121.421 118.700 0.070 0.000 2.442 270 N HA 0.038 4.780 4.740 0.003 0.000 0.265 270 N C -2.028 173.473 175.510 -0.015 0.000 1.138 270 N CA -1.483 51.563 53.050 -0.006 0.000 0.956 270 N CB 1.823 40.255 38.487 -0.092 0.000 1.067 270 N HN -0.204 nan 8.380 nan 0.000 0.474 271 P HA -0.205 nan 4.420 nan 0.000 0.215 271 P C 1.612 178.832 177.300 -0.134 0.000 1.163 271 P CA 1.030 63.992 63.100 -0.229 0.000 0.894 271 P CB 0.205 31.492 31.700 -0.688 0.000 0.791 272 L N -2.116 119.024 121.223 -0.137 0.000 2.042 272 L HA -0.190 4.152 4.340 0.003 0.000 0.210 272 L C 2.303 179.197 176.870 0.040 0.000 1.076 272 L CA 1.788 56.600 54.840 -0.047 0.000 0.749 272 L CB -0.590 41.437 42.059 -0.052 0.000 0.893 272 L HN -0.096 nan 8.230 nan 0.000 0.432 273 M N -0.601 119.038 119.600 0.064 0.000 2.086 273 M HA -0.217 4.265 4.480 0.003 0.000 0.261 273 M C 2.367 178.835 176.300 0.281 0.000 1.067 273 M CA 1.893 57.326 55.300 0.221 0.000 1.116 273 M CB -0.967 31.785 32.600 0.254 0.000 1.348 273 M HN 0.300 nan 8.290 nan 0.000 0.407 274 I N 0.343 121.039 120.570 0.211 0.000 2.208 274 I HA -0.311 3.861 4.170 0.003 0.000 0.245 274 I C 2.551 178.685 176.117 0.029 0.000 1.097 274 I CA 1.723 63.079 61.300 0.092 0.000 1.363 274 I CB -0.655 37.390 38.000 0.075 0.000 1.051 274 I HN 0.360 nan 8.210 nan 0.000 0.413 275 S N 0.140 115.865 115.700 0.040 0.000 2.474 275 S HA -0.180 4.292 4.470 0.003 0.000 0.235 275 S C 1.839 176.489 174.600 0.084 0.000 0.997 275 S CA 0.850 59.077 58.200 0.045 0.000 0.949 275 S CB -0.295 62.932 63.200 0.045 0.000 0.766 275 S HN 0.539 nan 8.310 nan 0.000 0.517 276 Q N -0.356 119.499 119.800 0.092 0.000 2.354 276 Q HA 0.241 4.583 4.340 0.003 0.000 0.203 276 Q C 1.962 177.953 176.000 -0.014 0.000 0.933 276 Q CA 0.589 56.431 55.803 0.065 0.000 0.901 276 Q CB -0.112 28.695 28.738 0.115 0.000 1.007 276 Q HN 0.538 nan 8.270 nan 0.000 0.495 277 L N 0.258 121.456 121.223 -0.043 0.000 2.102 277 L HA -0.037 4.305 4.340 0.003 0.000 0.202 277 L C 1.874 178.658 176.870 -0.143 0.000 1.076 277 L CA 1.276 56.014 54.840 -0.170 0.000 0.761 277 L CB -0.308 41.482 42.059 -0.449 0.000 0.921 277 L HN 0.145 nan 8.230 nan 0.000 0.444 278 L N 0.015 121.176 121.223 -0.103 0.000 2.013 278 L HA -0.200 4.142 4.340 0.003 0.000 0.212 278 L C -0.179 176.652 176.870 -0.066 0.000 1.073 278 L CA 1.704 56.495 54.840 -0.081 0.000 0.753 278 L CB -1.842 40.183 42.059 -0.057 0.000 0.890 278 L HN 0.267 nan 8.230 nan 0.000 0.432 279 P HA -0.149 nan 4.420 nan 0.000 0.216 279 P C 1.894 179.157 177.300 -0.061 0.000 1.150 279 P CA 1.170 64.240 63.100 -0.048 0.000 0.837 279 P CB 0.052 31.725 31.700 -0.046 0.000 0.786 280 V N -0.566 119.302 119.914 -0.076 0.000 2.407 280 V HA -0.198 3.924 4.120 0.003 0.000 0.248 280 V C 2.295 178.355 176.094 -0.056 0.000 1.055 280 V CA 1.548 63.810 62.300 -0.064 0.000 1.049 280 V CB -1.181 30.603 31.823 -0.064 0.000 0.662 280 V HN 0.100 nan 8.190 nan 0.000 0.455 281 L N 0.203 121.384 121.223 -0.070 0.000 2.465 281 L HA -0.029 4.314 4.340 0.003 0.000 0.224 281 L C 1.646 178.488 176.870 -0.048 0.000 1.145 281 L CA 0.983 55.785 54.840 -0.063 0.000 0.834 281 L CB -0.439 41.572 42.059 -0.080 0.000 0.944 281 L HN 0.366 nan 8.230 nan 0.000 0.451 282 N N 0.148 118.821 118.700 -0.046 0.000 2.275 282 N HA 0.050 4.792 4.740 0.003 0.000 0.236 282 N C -0.166 175.325 175.510 -0.031 0.000 1.154 282 N CA -0.130 52.897 53.050 -0.037 0.000 0.866 282 N CB 0.211 38.674 38.487 -0.039 0.000 1.093 282 N HN 0.030 nan 8.380 nan 0.000 0.515 283 Q N -1.016 118.766 119.800 -0.030 0.000 2.457 283 Q HA -0.236 4.106 4.340 0.003 0.000 0.283 283 Q C -0.930 175.055 176.000 -0.025 0.000 1.234 283 Q CA 1.085 56.874 55.803 -0.024 0.000 0.877 283 Q CB -1.502 27.225 28.738 -0.018 0.000 1.250 283 Q HN 0.383 nan 8.270 nan 0.000 0.481 284 K N -0.375 120.006 120.400 -0.032 0.000 2.443 284 K HA 0.787 5.109 4.320 0.003 0.000 0.251 284 K C -0.673 175.900 176.600 -0.045 0.000 0.972 284 K CA -0.231 56.039 56.287 -0.028 0.000 0.833 284 K CB 1.901 34.389 32.500 -0.021 0.000 1.317 284 K HN 0.169 nan 8.250 nan 0.000 0.441 285 S N -0.272 115.408 115.700 -0.033 0.000 2.651 285 S HA 0.305 4.777 4.470 0.003 0.000 0.279 285 S C 0.299 174.923 174.600 0.039 0.000 1.148 285 S CA -0.686 57.468 58.200 -0.076 0.000 0.837 285 S CB 0.338 63.493 63.200 -0.074 0.000 1.138 285 S HN 0.543 nan 8.310 nan 0.000 0.478 286 Y N 0.769 121.057 120.300 -0.021 0.000 2.384 286 Y HA -0.050 4.502 4.550 0.003 0.000 0.289 286 Y C 2.410 178.288 175.900 -0.035 0.000 1.152 286 Y CA 0.457 58.539 58.100 -0.029 0.000 1.258 286 Y CB -1.307 37.136 38.460 -0.028 0.000 0.979 286 Y HN 0.499 nan 8.280 nan 0.000 0.549 287 V N -0.118 119.864 119.914 0.112 0.000 2.759 287 V HA -0.210 3.912 4.120 0.003 0.000 0.256 287 V C 1.661 177.774 176.094 0.031 0.000 1.080 287 V CA 1.564 63.897 62.300 0.056 0.000 1.101 287 V CB -0.423 31.420 31.823 0.034 0.000 0.698 287 V HN 0.361 nan 8.190 nan 0.000 0.477 288 D N 0.311 120.728 120.400 0.029 0.000 2.378 288 D HA -0.019 4.623 4.640 0.003 0.000 0.227 288 D C 1.724 178.013 176.300 -0.018 0.000 1.012 288 D CA 0.699 54.702 54.000 0.005 0.000 0.905 288 D CB 0.196 40.997 40.800 0.001 0.000 0.895 288 D HN 0.410 nan 8.370 nan 0.000 0.532 289 L N 0.475 121.687 121.223 -0.019 0.000 2.599 289 L HA 0.053 4.395 4.340 0.003 0.000 0.230 289 L C 2.174 178.966 176.870 -0.130 0.000 1.141 289 L CA -0.058 54.730 54.840 -0.087 0.000 0.877 289 L CB -0.073 41.929 42.059 -0.095 0.000 1.009 289 L HN -0.010 nan 8.230 nan 0.000 0.447 290 I N -0.604 119.926 120.570 -0.067 0.000 2.202 290 I HA -0.166 4.006 4.170 0.003 0.000 0.242 290 I C 0.890 176.973 176.117 -0.058 0.000 1.091 290 I CA 1.068 62.340 61.300 -0.046 0.000 1.368 290 I CB -0.087 37.916 38.000 0.005 0.000 1.058 290 I HN 0.329 nan 8.210 nan 0.000 0.410 291 S N 0.996 116.667 115.700 -0.049 0.000 2.496 291 S HA 0.446 4.918 4.470 0.003 0.000 0.221 291 S C -2.555 172.013 174.600 -0.053 0.000 1.260 291 S CA -1.206 56.968 58.200 -0.045 0.000 1.181 291 S CB 1.001 64.201 63.200 0.001 0.000 1.136 291 S HN -0.056 nan 8.310 nan 0.000 0.467 292 P HA 0.388 nan 4.420 nan 0.000 0.282 292 P C -1.082 176.186 177.300 -0.053 0.000 1.249 292 P CA -0.127 62.930 63.100 -0.073 0.000 0.806 292 P CB 0.840 32.478 31.700 -0.103 0.000 0.984 293 D N 1.851 122.226 120.400 -0.042 0.000 2.500 293 D HA 0.111 4.753 4.640 0.003 0.000 0.219 293 D C 0.272 176.551 176.300 -0.035 0.000 1.137 293 D CA -0.397 53.584 54.000 -0.032 0.000 0.946 293 D CB -0.590 40.195 40.800 -0.025 0.000 1.022 293 D HN 0.166 nan 8.370 nan 0.000 0.518 294 c N 2.625 121.204 118.600 -0.034 0.000 2.576 294 c HA 0.061 4.633 4.570 0.003 0.000 0.267 294 c C 2.106 176.183 174.090 -0.022 0.000 1.364 294 c CA -0.254 56.056 56.329 -0.032 0.000 1.723 294 c CB -0.505 41.988 42.510 -0.029 0.000 1.778 294 c HN 0.592 nan 8.230 nan 0.000 0.572 295 Q N 1.400 121.189 119.800 -0.018 0.000 2.269 295 Q HA 0.170 4.512 4.340 0.003 0.000 0.201 295 Q C 1.325 177.316 176.000 -0.016 0.000 0.946 295 Q CA 0.444 56.239 55.803 -0.013 0.000 0.877 295 Q CB -0.476 28.257 28.738 -0.009 0.000 0.963 295 Q HN 0.634 nan 8.270 nan 0.000 0.472 296 A N 4.511 127.319 122.820 -0.020 0.000 2.545 296 A HA 0.227 4.549 4.320 0.003 0.000 0.253 296 A C -1.765 175.805 177.584 -0.023 0.000 1.074 296 A CA -0.831 51.194 52.037 -0.020 0.000 0.760 296 A CB -0.439 18.546 19.000 -0.024 0.000 1.005 296 A HN 0.036 nan 8.150 nan 0.000 0.506 297 P HA 0.431 nan 4.420 nan 0.000 0.274 297 P C -0.526 176.760 177.300 -0.023 0.000 1.237 297 P CA -0.158 62.931 63.100 -0.019 0.000 0.793 297 P CB 0.796 32.487 31.700 -0.014 0.000 0.977 298 R N -0.120 120.366 120.500 -0.024 0.000 2.808 298 R HA 0.668 5.011 4.340 0.003 0.000 0.272 298 R C -0.739 175.549 176.300 -0.021 0.000 0.995 298 R CA -0.998 55.086 56.100 -0.027 0.000 0.917 298 R CB 2.191 32.468 30.300 -0.037 0.000 1.217 298 R HN 0.539 nan 8.270 nan 0.000 0.471 299 A N 2.059 124.867 122.820 -0.020 0.000 2.409 299 A HA 0.271 4.593 4.320 0.003 0.000 0.262 299 A C -0.430 177.147 177.584 -0.013 0.000 1.113 299 A CA -0.361 51.667 52.037 -0.014 0.000 0.790 299 A CB 0.228 19.219 19.000 -0.014 0.000 1.046 299 A HN 0.557 nan 8.150 nan 0.000 0.496 300 L N 3.324 124.543 121.223 -0.008 0.000 2.462 300 L HA 0.265 4.607 4.340 0.003 0.000 0.272 300 L C -0.205 176.665 176.870 -0.001 0.000 1.166 300 L CA 0.379 55.217 54.840 -0.003 0.000 0.880 300 L CB 0.048 42.108 42.059 0.001 0.000 1.142 300 L HN 0.605 nan 8.230 nan 0.000 0.473 301 L N 5.540 126.763 121.223 -0.000 0.000 2.331 301 L HA 0.317 4.660 4.340 0.003 0.000 0.278 301 L C 0.246 177.121 176.870 0.009 0.000 1.106 301 L CA 0.028 54.871 54.840 0.004 0.000 0.824 301 L CB 0.674 42.736 42.059 0.005 0.000 1.142 301 L HN 0.648 nan 8.230 nan 0.000 0.443 302 E N 4.185 124.391 120.200 0.010 0.000 2.221 302 E HA 0.384 4.737 4.350 0.003 0.000 0.268 302 E C -2.299 174.308 176.600 0.013 0.000 0.933 302 E CA -2.002 54.405 56.400 0.011 0.000 0.809 302 E CB 1.393 31.098 29.700 0.009 0.000 1.190 302 E HN 0.344 nan 8.360 nan 0.000 0.406 303 P HA -0.084 nan 4.420 nan 0.000 0.262 303 P C -0.167 177.139 177.300 0.010 0.000 1.182 303 P CA 0.275 63.382 63.100 0.011 0.000 0.761 303 P CB 1.023 32.728 31.700 0.009 0.000 0.795 304 A N 4.458 127.285 122.820 0.011 0.000 1.845 304 A HA -0.152 4.170 4.320 0.003 0.000 0.215 304 A C 1.408 178.996 177.584 0.007 0.000 1.195 304 A CA 1.536 53.580 52.037 0.011 0.000 0.616 304 A CB -1.291 17.717 19.000 0.014 0.000 0.832 304 A HN 0.560 nan 8.150 nan 0.000 0.443 305 L N -1.470 119.756 121.223 0.005 0.000 3.865 305 L HA -0.287 4.055 4.340 0.003 0.000 0.408 305 L C 1.054 177.926 176.870 0.003 0.000 1.209 305 L CA 1.551 56.393 54.840 0.002 0.000 0.940 305 L CB -1.351 40.709 42.059 0.003 0.000 1.971 305 L HN 0.798 nan 8.230 nan 0.000 0.899 306 E N -2.133 118.070 120.200 0.004 0.000 3.161 306 E HA 0.286 4.638 4.350 0.003 0.000 0.197 306 E C 0.584 177.188 176.600 0.006 0.000 1.204 306 E CA 0.238 56.641 56.400 0.005 0.000 1.180 306 E CB 0.000 29.704 29.700 0.007 0.000 2.346 306 E HN 0.516 nan 8.360 nan 0.000 0.537 307 T N 1.801 116.360 114.554 0.008 0.000 2.348 307 T HA -0.095 4.257 4.350 0.003 0.000 0.523 307 T C -2.476 172.229 174.700 0.009 0.000 0.831 307 T CA 0.015 62.120 62.100 0.009 0.000 2.766 307 T CB -1.965 66.907 68.868 0.007 0.000 1.696 307 T HN 0.064 nan 8.240 nan 0.000 0.448 308 P HA 0.220 nan 4.420 nan 0.000 0.253 308 P C -2.140 175.166 177.300 0.010 0.000 1.170 308 P CA -0.642 62.463 63.100 0.009 0.000 0.806 308 P CB -0.067 31.639 31.700 0.010 0.000 0.775 309 P HA 0.080 nan 4.420 nan 0.000 0.274 309 P C 0.378 177.685 177.300 0.011 0.000 1.291 309 P CA -0.004 63.102 63.100 0.010 0.000 0.815 309 P CB 0.758 32.463 31.700 0.008 0.000 0.897 310 Q N 4.108 123.916 119.800 0.014 0.000 2.020 310 Q HA 0.045 4.387 4.340 0.003 0.000 0.198 310 Q C 1.496 177.505 176.000 0.014 0.000 0.974 310 Q CA 1.382 57.194 55.803 0.015 0.000 0.829 310 Q CB -0.728 28.021 28.738 0.019 0.000 0.894 310 Q HN 0.502 nan 8.270 nan 0.000 0.433 311 A N -0.712 122.117 122.820 0.016 0.000 2.847 311 A HA -0.264 4.058 4.320 0.003 0.000 0.263 311 A C 0.292 177.885 177.584 0.016 0.000 1.391 311 A CA 1.068 53.114 52.037 0.015 0.000 0.866 311 A CB -1.758 17.249 19.000 0.011 0.000 1.057 311 A HN 0.163 nan 8.150 nan 0.000 0.673 312 K N -1.012 119.400 120.400 0.020 0.000 2.362 312 K HA 0.596 4.918 4.320 0.003 0.000 0.245 312 K C 0.096 176.712 176.600 0.027 0.000 1.040 312 K CA -0.172 56.127 56.287 0.021 0.000 0.961 312 K CB 0.815 33.329 32.500 0.025 0.000 1.252 312 K HN 0.285 nan 8.250 nan 0.000 0.503 313 V N 3.661 123.590 119.914 0.025 0.000 2.378 313 V HA 0.220 4.342 4.120 0.003 0.000 0.288 313 V C -1.935 174.193 176.094 0.057 0.000 1.016 313 V CA -1.462 60.856 62.300 0.030 0.000 0.840 313 V CB 1.233 33.054 31.823 -0.003 0.000 0.994 313 V HN 0.720 nan 8.190 nan 0.000 0.431 314 P HA 0.389 nan 4.420 nan 0.000 0.281 314 P C -0.512 176.914 177.300 0.211 0.000 1.249 314 P CA -0.764 62.422 63.100 0.145 0.000 0.810 314 P CB 0.981 32.781 31.700 0.166 0.000 1.008 315 K N 0.890 121.387 120.400 0.162 0.000 2.469 315 K HA 0.169 4.491 4.320 0.003 0.000 0.274 315 K C -0.236 176.589 176.600 0.374 0.000 0.983 315 K CA 0.410 56.810 56.287 0.188 0.000 0.974 315 K CB 0.047 32.607 32.500 0.100 0.000 0.913 315 K HN 0.320 nan 8.250 nan 0.000 0.493 316 F N 2.049 121.995 119.950 -0.007 0.000 2.470 316 F HA 0.434 4.963 4.527 0.003 0.000 0.329 316 F C 0.504 176.299 175.800 -0.009 0.000 1.072 316 F CA -1.468 56.528 58.000 -0.008 0.000 0.989 316 F CB 1.001 39.997 39.000 -0.007 0.000 1.193 316 F HN 0.298 nan 8.300 nan 0.000 0.481 317 I N -0.324 120.278 120.570 0.054 0.000 2.441 317 I HA 0.532 4.705 4.170 0.003 0.000 0.295 317 I C -1.108 175.032 176.117 0.039 0.000 0.994 317 I CA -0.785 60.532 61.300 0.027 0.000 1.144 317 I CB 1.876 39.857 38.000 -0.032 0.000 1.314 317 I HN 0.316 nan 8.210 nan 0.000 0.445 318 D N 6.219 126.647 120.400 0.047 0.000 2.317 318 D HA 0.397 5.039 4.640 0.003 0.000 0.234 318 D C -0.672 175.637 176.300 0.015 0.000 1.112 318 D CA -0.114 53.910 54.000 0.039 0.000 0.840 318 D CB 2.918 43.741 40.800 0.038 0.000 1.078 318 D HN 0.364 nan 8.370 nan 0.000 0.486 319 V N 2.995 122.913 119.914 0.006 0.000 2.823 319 V HA 0.452 4.574 4.120 0.003 0.000 0.312 319 V C -1.530 174.561 176.094 -0.005 0.000 1.072 319 V CA -0.818 61.481 62.300 -0.001 0.000 0.937 319 V CB 2.542 34.361 31.823 -0.007 0.000 1.013 319 V HN 0.303 nan 8.190 nan 0.000 0.430 320 L N 6.280 127.495 121.223 -0.012 0.000 2.305 320 L HA 0.659 5.002 4.340 0.003 0.000 0.284 320 L C -0.916 175.933 176.870 -0.035 0.000 1.013 320 L CA -0.331 54.494 54.840 -0.025 0.000 0.819 320 L CB 1.314 43.355 42.059 -0.030 0.000 1.227 320 L HN 0.722 nan 8.230 nan 0.000 0.417 321 L N 5.998 127.194 121.223 -0.045 0.000 2.289 321 L HA 0.670 5.012 4.340 0.003 0.000 0.285 321 L C -0.654 176.180 176.870 -0.061 0.000 1.049 321 L CA 0.021 54.809 54.840 -0.086 0.000 0.804 321 L CB 0.836 42.787 42.059 -0.180 0.000 1.195 321 L HN 0.789 nan 8.230 nan 0.000 0.428 322 K N 3.995 124.374 120.400 -0.035 0.000 2.464 322 K HA 0.763 5.085 4.320 0.003 0.000 0.253 322 K C -1.981 174.665 176.600 0.077 0.000 0.933 322 K CA -0.895 55.404 56.287 0.020 0.000 0.801 322 K CB 2.114 34.617 32.500 0.006 0.000 1.271 322 K HN 0.334 nan 8.250 nan 0.000 0.430 323 V N 2.364 122.377 119.914 0.164 0.000 2.417 323 V HA 0.528 4.651 4.120 0.003 0.000 0.291 323 V C -0.460 175.764 176.094 0.217 0.000 1.024 323 V CA -0.396 62.032 62.300 0.213 0.000 0.861 323 V CB 1.211 33.191 31.823 0.262 0.000 0.985 323 V HN 1.019 nan 8.190 nan 0.000 0.436 324 S N 2.606 118.448 115.700 0.236 0.000 2.704 324 S HA 0.864 5.336 4.470 0.003 0.000 0.296 324 S C 0.598 175.288 174.600 0.150 0.000 1.138 324 S CA 0.126 58.423 58.200 0.162 0.000 0.875 324 S CB 1.948 65.203 63.200 0.091 0.000 1.151 324 S HN 2.227 nan 8.310 nan 0.000 0.500 325 G N 0.167 109.002 108.800 0.058 0.000 2.157 325 G HA2 -0.149 3.813 3.960 0.003 0.000 0.248 325 G HA3 -0.149 3.813 3.960 0.003 0.000 0.248 325 G C -0.092 174.796 174.900 -0.019 0.000 0.979 325 G CA 0.387 45.468 45.100 -0.030 0.000 0.650 325 G HN 1.860 nan 8.290 nan 0.000 0.529 326 I N -3.486 117.129 120.570 0.074 0.000 3.102 326 I HA 0.851 5.023 4.170 0.003 0.000 0.310 326 I C -0.578 175.596 176.117 0.095 0.000 1.246 326 I CA -1.189 60.164 61.300 0.089 0.000 0.979 326 I CB 2.022 40.123 38.000 0.169 0.000 1.267 326 I HN 0.068 nan 8.210 nan 0.000 0.451 327 S N 3.171 118.918 115.700 0.077 0.000 2.474 327 S HA 0.736 5.208 4.470 0.003 0.000 0.321 327 S C -2.165 172.481 174.600 0.077 0.000 1.080 327 S CA -0.887 57.355 58.200 0.071 0.000 1.106 327 S CB 0.418 63.647 63.200 0.049 0.000 0.984 327 S HN 0.671 nan 8.310 nan 0.000 0.464 328 P HA 0.460 nan 4.420 nan 0.000 0.283 328 P C -0.556 176.829 177.300 0.142 0.000 1.271 328 P CA -0.647 62.515 63.100 0.102 0.000 0.841 328 P CB 0.921 32.683 31.700 0.103 0.000 1.122 329 S N 0.298 116.078 115.700 0.134 0.000 2.600 329 S HA 0.374 4.846 4.470 0.003 0.000 0.265 329 S C -0.711 174.025 174.600 0.226 0.000 1.325 329 S CA -0.303 57.997 58.200 0.166 0.000 1.002 329 S CB 0.211 63.478 63.200 0.112 0.000 0.921 329 S HN 0.621 nan 8.310 nan 0.000 0.554 330 Y N 0.037 120.386 120.300 0.083 0.000 2.401 330 Y HA 0.578 5.130 4.550 0.003 0.000 0.330 330 Y C -0.803 175.138 175.900 0.068 0.000 1.071 330 Y CA -0.807 57.346 58.100 0.090 0.000 1.049 330 Y CB 1.304 39.845 38.460 0.135 0.000 1.239 330 Y HN 0.820 nan 8.280 nan 0.000 0.437 331 R N 3.083 123.290 120.500 -0.489 0.000 2.787 331 R HA 0.598 4.940 4.340 0.003 0.000 0.271 331 R C -1.696 174.239 176.300 -0.608 0.000 0.993 331 R CA -1.149 54.717 56.100 -0.390 0.000 0.993 331 R CB 1.760 31.939 30.300 -0.202 0.000 1.155 331 R HN 0.774 nan 8.270 nan 0.000 0.486 332 H N -0.830 118.009 119.070 -0.385 0.000 3.029 332 H HA 0.309 4.866 4.556 0.003 0.000 0.358 332 H C -1.584 173.651 175.328 -0.155 0.000 1.129 332 H CA -0.301 55.582 56.048 -0.274 0.000 1.230 332 H CB 1.850 31.507 29.762 -0.175 0.000 1.827 332 H HN 0.461 nan 8.280 nan 0.000 0.530 333 S N 4.312 119.819 115.700 -0.322 0.000 2.433 333 S HA 0.587 5.059 4.470 0.003 0.000 0.310 333 S C -1.015 173.581 174.600 -0.006 0.000 1.097 333 S CA -0.304 57.824 58.200 -0.121 0.000 1.103 333 S CB -0.050 63.063 63.200 -0.145 0.000 0.992 333 S HN 0.640 nan 8.310 nan 0.000 0.469 334 V N 2.598 122.554 119.914 0.071 0.000 2.709 334 V HA 0.780 4.902 4.120 0.003 0.000 0.308 334 V C -0.379 175.746 176.094 0.052 0.000 1.062 334 V CA -0.674 61.682 62.300 0.093 0.000 0.901 334 V CB 1.624 33.508 31.823 0.102 0.000 1.003 334 V HN 0.697 nan 8.190 nan 0.000 0.425 335 S N 3.584 119.331 115.700 0.077 0.000 2.456 335 S HA 0.845 5.317 4.470 0.003 0.000 0.316 335 S C -0.188 174.432 174.600 0.033 0.000 1.089 335 S CA -0.415 57.853 58.200 0.114 0.000 1.101 335 S CB 1.279 64.616 63.200 0.229 0.000 0.995 335 S HN 1.611 nan 8.310 nan 0.000 0.468 336 V N 1.216 120.982 119.914 -0.248 0.000 3.130 336 V HA 0.751 4.873 4.120 0.003 0.000 0.310 336 V C -3.213 172.197 176.094 -1.140 0.000 1.158 336 V CA -3.254 58.686 62.300 -0.600 0.000 1.029 336 V CB 1.367 33.021 31.823 -0.281 0.000 1.057 336 V HN 0.445 nan 8.190 nan 0.000 0.436 337 P HA 0.248 nan 4.420 nan 0.000 0.265 337 P C -0.014 177.061 177.300 -0.376 0.000 1.193 337 P CA 0.694 63.288 63.100 -0.843 0.000 0.765 337 P CB 0.304 31.765 31.700 -0.398 0.000 0.823 338 A N 3.506 126.212 122.820 -0.191 0.000 2.531 338 A HA 0.407 4.729 4.320 0.003 0.000 0.236 338 A C 1.577 179.102 177.584 -0.100 0.000 1.062 338 A CA 0.833 52.806 52.037 -0.107 0.000 0.760 338 A CB -1.241 17.739 19.000 -0.033 0.000 0.995 338 A HN 0.876 nan 8.150 nan 0.000 0.501 339 G N 1.349 110.087 108.800 -0.105 0.000 2.175 339 G HA2 -0.204 3.758 3.960 0.003 0.000 0.244 339 G HA3 -0.204 3.758 3.960 0.003 0.000 0.244 339 G C 0.531 175.372 174.900 -0.099 0.000 0.982 339 G CA 0.360 45.404 45.100 -0.093 0.000 0.641 339 G HN 1.193 nan 8.290 nan 0.000 0.527 340 S N 0.630 116.257 115.700 -0.121 0.000 2.579 340 S HA 0.558 5.030 4.470 0.003 0.000 0.275 340 S C 0.883 175.423 174.600 -0.100 0.000 1.345 340 S CA 0.342 58.477 58.200 -0.108 0.000 1.031 340 S CB 1.293 64.412 63.200 -0.135 0.000 0.892 340 S HN 1.438 nan 8.310 nan 0.000 0.529 341 S N 1.784 117.444 115.700 -0.066 0.000 2.687 341 S HA 0.393 4.865 4.470 0.003 0.000 0.283 341 S C 0.936 175.515 174.600 -0.036 0.000 1.170 341 S CA -0.852 57.317 58.200 -0.050 0.000 1.008 341 S CB 0.592 63.786 63.200 -0.010 0.000 1.026 341 S HN 0.476 nan 8.310 nan 0.000 0.541 342 L N 0.963 122.191 121.223 0.009 0.000 2.079 342 L HA -0.048 4.294 4.340 0.003 0.000 0.210 342 L C 2.427 179.249 176.870 -0.080 0.000 1.081 342 L CA 2.112 56.951 54.840 -0.002 0.000 0.752 342 L CB -1.253 40.847 42.059 0.069 0.000 0.896 342 L HN 1.026 nan 8.230 nan 0.000 0.433 343 E N -0.938 119.235 120.200 -0.045 0.000 2.110 343 E HA -0.234 4.118 4.350 0.003 0.000 0.193 343 E C 1.631 178.214 176.600 -0.029 0.000 0.988 343 E CA 1.340 57.711 56.400 -0.048 0.000 0.804 343 E CB 0.011 29.736 29.700 0.040 0.000 0.745 343 E HN 0.567 nan 8.360 nan 0.000 0.458 344 D N 0.511 120.900 120.400 -0.018 0.000 2.117 344 D HA -0.159 4.483 4.640 0.003 0.000 0.197 344 D C 2.090 178.369 176.300 -0.035 0.000 0.987 344 D CA 0.939 54.932 54.000 -0.011 0.000 0.829 344 D CB -0.212 40.574 40.800 -0.024 0.000 0.961 344 D HN 0.307 nan 8.370 nan 0.000 0.460 345 I N 0.859 121.384 120.570 -0.076 0.000 2.226 345 I HA -0.244 3.928 4.170 0.003 0.000 0.245 345 I C 2.489 178.507 176.117 -0.165 0.000 1.100 345 I CA 0.643 61.881 61.300 -0.104 0.000 1.374 345 I CB -0.088 37.843 38.000 -0.115 0.000 1.057 345 I HN -0.011 nan 8.210 nan 0.000 0.413 346 L N 0.292 121.374 121.223 -0.235 0.000 1.970 346 L HA -0.262 4.080 4.340 0.003 0.000 0.212 346 L C 2.584 179.458 176.870 0.007 0.000 1.071 346 L CA 1.727 56.367 54.840 -0.334 0.000 0.751 346 L CB -0.766 40.792 42.059 -0.836 0.000 0.889 346 L HN 0.180 nan 8.230 nan 0.000 0.432 347 K N 0.051 120.525 120.400 0.124 0.000 2.074 347 K HA -0.265 4.058 4.320 0.003 0.000 0.209 347 K C 1.865 178.528 176.600 0.104 0.000 1.048 347 K CA 2.092 58.526 56.287 0.245 0.000 0.926 347 K CB -0.294 32.307 32.500 0.167 0.000 0.713 347 K HN 0.243 nan 8.250 nan 0.000 0.444 348 N N 0.485 119.212 118.700 0.045 0.000 2.069 348 N HA -0.185 4.557 4.740 0.003 0.000 0.191 348 N C 1.620 177.157 175.510 0.044 0.000 1.031 348 N CA 1.653 54.734 53.050 0.052 0.000 0.852 348 N CB -0.133 38.410 38.487 0.093 0.000 1.018 348 N HN 0.208 nan 8.380 nan 0.000 0.423 349 A N 0.105 122.887 122.820 -0.064 0.000 1.933 349 A HA -0.214 4.108 4.320 0.003 0.000 0.218 349 A C 2.164 179.781 177.584 0.055 0.000 1.175 349 A CA 1.616 53.489 52.037 -0.274 0.000 0.628 349 A CB -0.877 17.665 19.000 -0.764 0.000 0.814 349 A HN 0.580 nan 8.150 nan 0.000 0.444 350 Q N -0.889 119.045 119.800 0.224 0.000 2.119 350 Q HA -0.236 4.107 4.340 0.003 0.000 0.201 350 Q C 2.028 178.050 176.000 0.036 0.000 0.972 350 Q CA 1.854 57.763 55.803 0.177 0.000 0.847 350 Q CB -0.067 28.792 28.738 0.202 0.000 0.903 350 Q HN 0.746 nan 8.270 nan 0.000 0.433 351 E N -0.499 119.667 120.200 -0.058 0.000 2.076 351 E HA -0.147 4.205 4.350 0.003 0.000 0.190 351 E C 0.343 176.795 176.600 -0.247 0.000 0.979 351 E CA 1.460 57.715 56.400 -0.243 0.000 0.807 351 E CB 0.035 29.456 29.700 -0.464 0.000 0.761 351 E HN 0.526 nan 8.360 nan 0.000 0.454 352 H N -1.063 118.073 119.070 0.111 0.000 2.488 352 H HA 0.554 5.112 4.556 0.003 0.000 0.294 352 H C 0.013 175.458 175.328 0.194 0.000 1.088 352 H CA -0.185 55.941 56.048 0.130 0.000 1.086 352 H CB 1.102 30.940 29.762 0.128 0.000 1.569 352 H HN 0.214 nan 8.280 nan 0.000 0.548 353 G N -0.539 108.426 108.800 0.274 0.000 2.488 353 G HA2 0.093 4.055 3.960 0.003 0.000 0.301 353 G HA3 0.093 4.055 3.960 0.003 0.000 0.301 353 G C -0.241 174.824 174.900 0.274 0.000 1.339 353 G CA -0.915 44.395 45.100 0.351 0.000 0.803 353 G HN 0.093 nan 8.290 nan 0.000 0.482 354 R N -0.700 120.008 120.500 0.347 0.000 2.319 354 R HA 0.136 4.478 4.340 0.003 0.000 0.204 354 R C 0.105 176.466 176.300 0.103 0.000 0.954 354 R CA -0.133 56.108 56.100 0.234 0.000 1.066 354 R CB -0.269 30.212 30.300 0.301 0.000 0.991 354 R HN 0.322 nan 8.270 nan 0.000 0.486 355 F N 2.319 122.247 119.950 -0.037 0.000 2.382 355 F HA 0.193 4.722 4.527 0.003 0.000 0.331 355 F C 0.577 176.290 175.800 -0.145 0.000 1.121 355 F CA -0.621 57.224 58.000 -0.257 0.000 1.183 355 F CB 0.562 39.450 39.000 -0.188 0.000 1.207 355 F HN -0.044 nan 8.300 nan 0.000 0.555 356 R N 4.714 124.616 120.500 -0.996 0.000 2.680 356 R HA 0.682 5.024 4.340 0.003 0.000 0.269 356 R C -2.234 173.521 176.300 -0.908 0.000 1.026 356 R CA -0.786 54.872 56.100 -0.737 0.000 0.889 356 R CB 1.849 31.910 30.300 -0.397 0.000 1.241 356 R HN 0.700 nan 8.270 nan 0.000 0.463 357 F N -1.101 118.411 119.950 -0.730 0.000 2.713 357 F HA 0.680 5.209 4.527 0.003 0.000 0.311 357 F C -1.791 173.821 175.800 -0.313 0.000 1.141 357 F CA -1.186 56.477 58.000 -0.563 0.000 0.939 357 F CB 1.756 40.450 39.000 -0.510 0.000 1.325 357 F HN 0.573 nan 8.300 nan 0.000 0.453 358 R N 1.027 121.308 120.500 -0.364 0.000 2.604 358 R HA 0.655 4.997 4.340 0.003 0.000 0.281 358 R C -1.317 174.907 176.300 -0.126 0.000 1.020 358 R CA -0.776 55.109 56.100 -0.359 0.000 0.899 358 R CB 2.479 32.641 30.300 -0.230 0.000 1.205 358 R HN 0.995 nan 8.270 nan 0.000 0.450 359 T N -0.765 113.730 114.554 -0.098 0.000 2.912 359 T HA 0.488 4.840 4.350 0.003 0.000 0.288 359 T C -0.525 174.200 174.700 0.042 0.000 1.030 359 T CA -0.929 61.191 62.100 0.032 0.000 1.020 359 T CB 1.989 70.931 68.868 0.123 0.000 1.056 359 T HN 0.609 nan 8.240 nan 0.000 0.480 360 Q N 1.231 121.102 119.800 0.119 0.000 2.394 360 Q HA 0.715 5.057 4.340 0.003 0.000 0.273 360 Q C -0.600 175.495 176.000 0.157 0.000 1.089 360 Q CA -1.477 54.400 55.803 0.123 0.000 0.812 360 Q CB 1.984 30.796 28.738 0.123 0.000 1.353 360 Q HN 0.953 nan 8.270 nan 0.000 0.438 361 A N 1.724 124.606 122.820 0.104 0.000 2.520 361 A HA 0.444 4.766 4.320 0.003 0.000 0.235 361 A C 0.043 177.673 177.584 0.076 0.000 1.065 361 A CA 0.564 52.658 52.037 0.095 0.000 0.764 361 A CB -0.007 19.036 19.000 0.072 0.000 1.002 361 A HN 0.928 nan 8.150 nan 0.000 0.502 362 S N 0.852 116.586 115.700 0.057 0.000 2.671 362 S HA 0.538 5.010 4.470 0.003 0.000 0.277 362 S C 0.403 174.999 174.600 -0.006 0.000 1.165 362 S CA -0.612 57.586 58.200 -0.003 0.000 0.822 362 S CB 0.533 63.697 63.200 -0.061 0.000 1.150 362 S HN 0.573 nan 8.310 nan 0.000 0.479 363 L N 0.929 122.137 121.223 -0.024 0.000 2.456 363 L HA 0.052 4.394 4.340 0.003 0.000 0.224 363 L C 1.894 178.716 176.870 -0.080 0.000 1.148 363 L CA 0.738 55.561 54.840 -0.030 0.000 0.825 363 L CB -0.637 41.423 42.059 0.002 0.000 0.937 363 L HN 0.689 nan 8.230 nan 0.000 0.450 364 S N -0.702 114.951 115.700 -0.077 0.000 2.548 364 S HA 0.370 4.842 4.470 0.003 0.000 0.215 364 S C 0.908 175.469 174.600 -0.064 0.000 0.976 364 S CA 0.497 58.642 58.200 -0.091 0.000 0.908 364 S CB 0.521 63.663 63.200 -0.096 0.000 0.781 364 S HN 0.659 nan 8.310 nan 0.000 0.519 365 G N 1.839 110.625 108.800 -0.024 0.000 2.466 365 G HA2 -0.079 3.883 3.960 0.003 0.000 0.316 365 G HA3 -0.079 3.883 3.960 0.003 0.000 0.316 365 G C -3.341 171.625 174.900 0.110 0.000 1.270 365 G CA -1.358 43.768 45.100 0.043 0.000 0.982 365 G HN 0.043 nan 8.290 nan 0.000 0.506 366 P HA 0.327 nan 4.420 nan 0.000 0.256 366 P C -0.531 176.900 177.300 0.218 0.000 1.189 366 P CA 0.263 63.465 63.100 0.170 0.000 0.808 366 P CB -0.060 31.736 31.700 0.161 0.000 0.793 367 F N 5.632 125.618 119.950 0.061 0.000 2.424 367 F HA 0.291 4.820 4.527 0.003 0.000 0.356 367 F C -0.085 175.777 175.800 0.103 0.000 1.110 367 F CA -1.476 56.563 58.000 0.064 0.000 1.161 367 F CB 0.421 39.447 39.000 0.044 0.000 1.115 367 F HN 0.078 nan 8.300 nan 0.000 0.507 368 L N 7.383 128.437 121.223 -0.283 0.000 2.485 368 L HA 0.169 4.511 4.340 0.003 0.000 0.279 368 L C 1.082 177.703 176.870 -0.416 0.000 1.124 368 L CA 0.705 55.398 54.840 -0.245 0.000 0.888 368 L CB -0.046 41.920 42.059 -0.155 0.000 1.217 368 L HN 0.859 nan 8.230 nan 0.000 0.464 369 T N -0.224 114.209 114.554 -0.202 0.000 3.039 369 T HA 0.194 4.546 4.350 0.003 0.000 0.250 369 T C 0.799 175.583 174.700 0.141 0.000 1.052 369 T CA 0.496 62.569 62.100 -0.045 0.000 1.125 369 T CB 0.017 68.910 68.868 0.043 0.000 0.908 369 T HN 0.505 nan 8.240 nan 0.000 0.473 370 S N -0.224 115.461 115.700 -0.024 0.000 2.546 370 S HA 0.674 5.146 4.470 0.003 0.000 0.274 370 S C -1.791 172.595 174.600 -0.357 0.000 1.121 370 S CA -0.608 57.569 58.200 -0.039 0.000 0.887 370 S CB 2.015 65.199 63.200 -0.027 0.000 1.094 370 S HN 0.221 nan 8.310 nan 0.000 0.474 371 V N 4.873 124.502 119.914 -0.475 0.000 2.668 371 V HA 0.494 4.616 4.120 0.003 0.000 0.304 371 V C -0.149 175.726 176.094 -0.364 0.000 1.071 371 V CA -0.792 61.117 62.300 -0.653 0.000 0.894 371 V CB 1.366 32.401 31.823 -1.313 0.000 1.008 371 V HN 1.062 nan 8.190 nan 0.000 0.425 372 L N 4.744 125.703 121.223 -0.440 0.000 3.739 372 L HA -0.269 4.073 4.340 0.003 0.000 0.442 372 L C 1.479 178.256 176.870 -0.154 0.000 1.241 372 L CA 1.041 55.691 54.840 -0.316 0.000 0.819 372 L CB -1.225 40.682 42.059 -0.254 0.000 1.679 372 L HN 1.310 nan 8.230 nan 0.000 0.889 373 G N -1.384 107.328 108.800 -0.147 0.000 2.184 373 G HA2 -0.325 3.637 3.960 0.003 0.000 0.264 373 G HA3 -0.325 3.637 3.960 0.003 0.000 0.264 373 G C 0.381 175.288 174.900 0.012 0.000 0.975 373 G CA 0.317 45.376 45.100 -0.068 0.000 0.642 373 G HN 0.280 nan 8.290 nan 0.000 0.536 374 R N 0.804 121.354 120.500 0.082 0.000 2.233 374 R HA 0.385 4.727 4.340 0.003 0.000 0.334 374 R C 0.369 176.858 176.300 0.314 0.000 1.037 374 R CA -0.510 55.713 56.100 0.204 0.000 0.920 374 R CB 0.777 31.271 30.300 0.322 0.000 1.137 374 R HN 0.504 nan 8.270 nan 0.000 0.492 375 K N 1.709 122.227 120.400 0.196 0.000 2.249 375 K HA 0.353 4.675 4.320 0.003 0.000 0.280 375 K C -0.470 176.246 176.600 0.193 0.000 1.033 375 K CA -0.312 56.100 56.287 0.209 0.000 0.946 375 K CB 0.987 33.554 32.500 0.113 0.000 1.005 375 K HN 0.537 nan 8.250 nan 0.000 0.469 376 A N 3.422 126.371 122.820 0.215 0.000 2.440 376 A HA 0.391 4.713 4.320 0.003 0.000 0.251 376 A C 0.526 178.180 177.584 0.116 0.000 1.089 376 A CA 0.129 52.212 52.037 0.075 0.000 0.779 376 A CB 0.523 19.553 19.000 0.050 0.000 1.022 376 A HN 0.952 nan 8.150 nan 0.000 0.492 377 G N 0.472 109.322 108.800 0.085 0.000 2.714 377 G HA2 0.362 4.324 3.960 0.003 0.000 0.197 377 G HA3 0.362 4.324 3.960 0.003 0.000 0.197 377 G C 0.805 175.785 174.900 0.134 0.000 1.449 377 G CA 0.625 45.781 45.100 0.094 0.000 1.065 377 G HN 0.757 nan 8.290 nan 0.000 0.575 378 E N -0.038 120.217 120.200 0.092 0.000 2.005 378 E HA -0.097 4.255 4.350 0.003 0.000 0.198 378 E C 2.000 178.649 176.600 0.082 0.000 1.010 378 E CA 1.358 57.807 56.400 0.082 0.000 0.825 378 E CB -0.071 29.645 29.700 0.027 0.000 0.769 378 E HN 0.368 nan 8.360 nan 0.000 0.456 379 R N 0.499 120.998 120.500 -0.001 0.000 2.694 379 R HA 0.251 4.593 4.340 0.003 0.000 0.334 379 R C -0.399 176.017 176.300 0.194 0.000 1.143 379 R CA -0.080 55.926 56.100 -0.155 0.000 1.073 379 R CB 0.478 30.517 30.300 -0.434 0.000 1.366 379 R HN 0.247 nan 8.270 nan 0.000 0.577 380 E N 0.824 121.214 120.200 0.317 0.000 2.212 380 E HA 0.426 4.778 4.350 0.003 0.000 0.270 380 E C -0.851 176.019 176.600 0.451 0.000 0.956 380 E CA -0.796 55.782 56.400 0.298 0.000 0.825 380 E CB 1.623 31.344 29.700 0.035 0.000 1.167 380 E HN -0.005 nan 8.360 nan 0.000 0.400 381 F N -1.661 118.315 119.950 0.043 0.000 2.668 381 F HA 0.475 5.004 4.527 0.003 0.000 0.309 381 F C -1.982 173.709 175.800 -0.182 0.000 1.117 381 F CA -1.478 56.494 58.000 -0.046 0.000 0.951 381 F CB 0.667 39.641 39.000 -0.043 0.000 1.323 381 F HN 0.417 nan 8.300 nan 0.000 0.451 382 W N 3.486 124.664 121.300 -0.203 0.000 2.481 382 W HA 0.432 5.095 4.660 0.005 0.000 0.320 382 W C 0.170 176.447 176.519 -0.402 0.000 1.209 382 W CA -0.045 57.108 57.345 -0.321 0.000 1.400 382 W CB 1.001 30.350 29.460 -0.185 0.000 1.361 382 W HN 0.664 nan 8.180 nan 0.000 0.456 383 Q N 2.406 121.943 119.800 -0.439 0.000 2.259 383 Q HA 0.443 4.785 4.340 0.003 0.000 0.249 383 Q C -0.865 175.124 176.000 -0.018 0.000 0.914 383 Q CA -0.373 55.269 55.803 -0.269 0.000 0.904 383 Q CB 1.151 29.649 28.738 -0.401 0.000 1.213 383 Q HN 0.292 nan 8.270 nan 0.000 0.428 384 V N 5.419 125.345 119.914 0.021 0.000 2.417 384 V HA 0.476 4.598 4.120 0.003 0.000 0.291 384 V C -0.707 175.345 176.094 -0.070 0.000 1.024 384 V CA -0.655 61.628 62.300 -0.027 0.000 0.861 384 V CB 1.186 32.979 31.823 -0.049 0.000 0.985 384 V HN 0.648 nan 8.190 nan 0.000 0.436 385 L N 4.105 125.278 121.223 -0.083 0.000 2.393 385 L HA 0.647 4.989 4.340 0.003 0.000 0.260 385 L C -0.154 176.646 176.870 -0.117 0.000 1.002 385 L CA -0.618 54.164 54.840 -0.096 0.000 0.818 385 L CB 1.871 43.900 42.059 -0.049 0.000 1.369 385 L HN 0.596 nan 8.230 nan 0.000 0.412 386 R N 1.035 121.459 120.500 -0.126 0.000 2.229 386 R HA 0.306 4.648 4.340 0.003 0.000 0.328 386 R C -0.908 175.368 176.300 -0.040 0.000 1.009 386 R CA -0.541 55.510 56.100 -0.083 0.000 0.864 386 R CB 0.954 31.208 30.300 -0.077 0.000 1.085 386 R HN 0.774 nan 8.270 nan 0.000 0.453 387 D N 5.000 125.386 120.400 -0.023 0.000 2.389 387 D HA 0.135 4.777 4.640 0.003 0.000 0.247 387 D C -2.018 174.280 176.300 -0.005 0.000 1.128 387 D CA -1.089 52.904 54.000 -0.012 0.000 0.884 387 D CB 1.010 41.805 40.800 -0.008 0.000 1.194 387 D HN 0.292 nan 8.370 nan 0.000 0.441 388 P HA 0.225 nan 4.420 nan 0.000 0.300 388 P C -0.697 176.601 177.300 -0.002 0.000 1.356 388 P CA -0.376 62.723 63.100 -0.001 0.000 0.823 388 P CB 1.114 32.816 31.700 0.002 0.000 0.934 389 D N 0.872 121.269 120.400 -0.004 0.000 2.860 389 D HA -0.114 4.528 4.640 0.003 0.000 0.229 389 D C -0.606 175.692 176.300 -0.004 0.000 1.169 389 D CA 1.245 55.243 54.000 -0.003 0.000 0.737 389 D CB -0.650 40.152 40.800 0.004 0.000 1.080 389 D HN 0.353 nan 8.370 nan 0.000 0.424 390 T N 1.535 116.081 114.554 -0.013 0.000 2.753 390 T HA 0.398 4.750 4.350 0.003 0.000 0.297 390 T C -2.372 172.306 174.700 -0.038 0.000 0.981 390 T CA -1.158 60.932 62.100 -0.017 0.000 0.956 390 T CB 1.970 70.828 68.868 -0.016 0.000 0.936 390 T HN -0.062 nan 8.240 nan 0.000 0.463 391 P HA 0.200 nan 4.420 nan 0.000 0.271 391 P C -0.027 177.231 177.300 -0.069 0.000 1.216 391 P CA -0.477 62.604 63.100 -0.032 0.000 0.771 391 P CB 0.483 32.191 31.700 0.012 0.000 0.864 392 L N 3.061 124.204 121.223 -0.133 0.000 2.467 392 L HA 0.065 4.407 4.340 0.003 0.000 0.270 392 L C 1.480 178.289 176.870 -0.102 0.000 1.205 392 L CA 0.312 55.023 54.840 -0.214 0.000 0.828 392 L CB 0.023 41.833 42.059 -0.415 0.000 1.101 392 L HN 0.415 nan 8.230 nan 0.000 0.479 393 Q N 1.252 121.017 119.800 -0.059 0.000 2.198 393 Q HA 0.208 4.550 4.340 0.003 0.000 0.209 393 Q C -0.549 175.401 176.000 -0.083 0.000 0.848 393 Q CA 0.012 55.815 55.803 0.001 0.000 0.974 393 Q CB 0.935 29.749 28.738 0.125 0.000 1.115 393 Q HN 0.605 nan 8.270 nan 0.000 0.494 394 Q N -0.718 119.038 119.800 -0.073 0.000 2.421 394 Q HA 0.529 4.871 4.340 0.003 0.000 0.280 394 Q C -0.344 175.636 176.000 -0.033 0.000 1.085 394 Q CA -0.730 55.019 55.803 -0.090 0.000 0.807 394 Q CB 2.030 30.803 28.738 0.058 0.000 1.405 394 Q HN 0.225 nan 8.270 nan 0.000 0.419 395 G N 0.350 109.134 108.800 -0.026 0.000 2.535 395 G HA2 0.266 4.228 3.960 0.003 0.000 0.282 395 G HA3 0.266 4.228 3.960 0.003 0.000 0.282 395 G C 0.893 175.828 174.900 0.058 0.000 1.350 395 G CA -0.342 44.772 45.100 0.024 0.000 1.039 395 G HN 0.775 nan 8.290 nan 0.000 0.509 396 I N -2.543 118.059 120.570 0.052 0.000 2.315 396 I HA 0.020 4.193 4.170 0.003 0.000 0.248 396 I C 2.446 178.598 176.117 0.059 0.000 1.117 396 I CA 1.673 62.998 61.300 0.040 0.000 1.404 396 I CB -0.271 37.720 38.000 -0.015 0.000 1.071 396 I HN 0.303 nan 8.210 nan 0.000 0.419 397 A N 0.825 123.687 122.820 0.070 0.000 2.016 397 A HA -0.070 4.252 4.320 0.003 0.000 0.217 397 A C 1.841 179.465 177.584 0.066 0.000 1.162 397 A CA 1.400 53.483 52.037 0.077 0.000 0.662 397 A CB -0.370 18.694 19.000 0.106 0.000 0.812 397 A HN 0.504 nan 8.150 nan 0.000 0.450 398 D N -2.274 118.163 120.400 0.062 0.000 2.324 398 D HA 0.051 4.693 4.640 0.003 0.000 0.212 398 D C -0.055 176.275 176.300 0.050 0.000 0.984 398 D CA 0.199 54.227 54.000 0.046 0.000 0.885 398 D CB -0.110 40.697 40.800 0.013 0.000 0.996 398 D HN 0.438 nan 8.370 nan 0.000 0.505 399 Y N 3.217 123.501 120.300 -0.026 0.000 2.537 399 Y HA 0.119 4.671 4.550 0.004 0.000 0.339 399 Y C 0.081 175.966 175.900 -0.025 0.000 1.066 399 Y CA -0.274 57.810 58.100 -0.027 0.000 1.357 399 Y CB 0.236 38.676 38.460 -0.033 0.000 1.175 399 Y HN -0.318 nan 8.280 nan 0.000 0.525 400 R N 8.025 128.110 120.500 -0.691 0.000 2.247 400 R HA 0.311 4.653 4.340 0.003 0.000 0.329 400 R C -2.698 173.159 176.300 -0.737 0.000 1.014 400 R CA -1.924 53.872 56.100 -0.508 0.000 0.907 400 R CB 0.533 30.668 30.300 -0.275 0.000 1.146 400 R HN 0.511 nan 8.270 nan 0.000 0.499 401 P HA -0.028 nan 4.420 nan 0.000 0.267 401 P C -0.239 176.965 177.300 -0.160 0.000 1.200 401 P CA 0.065 63.023 63.100 -0.237 0.000 0.772 401 P CB 0.671 32.376 31.700 0.008 0.000 0.855 402 K N 1.510 121.873 120.400 -0.062 0.000 2.098 402 K HA 0.218 4.540 4.320 0.003 0.000 0.244 402 K C -0.088 176.508 176.600 -0.006 0.000 1.014 402 K CA -0.583 55.685 56.287 -0.033 0.000 0.917 402 K CB 0.401 32.900 32.500 -0.002 0.000 1.072 402 K HN 0.426 nan 8.250 nan 0.000 0.477 403 D N -0.416 119.983 120.400 -0.003 0.000 2.425 403 D HA 0.190 4.832 4.640 0.003 0.000 0.247 403 D C 0.979 177.287 176.300 0.014 0.000 1.147 403 D CA 1.627 55.631 54.000 0.008 0.000 0.879 403 D CB 0.332 41.140 40.800 0.014 0.000 1.179 403 D HN 0.675 nan 8.370 nan 0.000 0.456 404 G N 3.302 112.110 108.800 0.014 0.000 2.217 404 G HA2 -0.262 3.700 3.960 0.003 0.000 0.246 404 G HA3 -0.262 3.700 3.960 0.003 0.000 0.246 404 G C 0.414 175.323 174.900 0.014 0.000 0.990 404 G CA 0.147 45.255 45.100 0.013 0.000 0.627 404 G HN 0.578 nan 8.290 nan 0.000 0.522 405 E N 0.902 121.116 120.200 0.023 0.000 2.437 405 E HA 0.374 4.726 4.350 0.003 0.000 0.263 405 E C -0.170 176.441 176.600 0.018 0.000 1.030 405 E CA 0.790 57.210 56.400 0.032 0.000 0.934 405 E CB 0.396 30.137 29.700 0.070 0.000 0.943 405 E HN 0.134 nan 8.360 nan 0.000 0.444 406 T N 3.769 118.329 114.554 0.011 0.000 2.772 406 T HA 0.313 4.665 4.350 0.003 0.000 0.288 406 T C -0.325 174.370 174.700 -0.009 0.000 0.994 406 T CA -0.660 61.438 62.100 -0.004 0.000 0.951 406 T CB 0.259 69.122 68.868 -0.008 0.000 0.933 406 T HN 0.195 nan 8.240 nan 0.000 0.447 407 I N 3.291 123.849 120.570 -0.019 0.000 2.321 407 I HA 0.371 4.543 4.170 0.003 0.000 0.291 407 I C 0.546 176.636 176.117 -0.045 0.000 0.998 407 I CA -0.858 60.419 61.300 -0.038 0.000 1.227 407 I CB 1.130 39.108 38.000 -0.035 0.000 1.368 407 I HN 0.666 nan 8.210 nan 0.000 0.466 408 E N 6.938 127.115 120.200 -0.038 0.000 2.156 408 E HA 0.482 4.834 4.350 0.003 0.000 0.279 408 E C -1.314 175.291 176.600 0.009 0.000 0.965 408 E CA -0.650 55.746 56.400 -0.007 0.000 0.789 408 E CB 1.228 30.931 29.700 0.004 0.000 1.098 408 E HN 0.493 nan 8.360 nan 0.000 0.397 409 L N 5.506 126.756 121.223 0.046 0.000 2.255 409 L HA 0.482 4.824 4.340 0.003 0.000 0.289 409 L C 0.250 177.333 176.870 0.355 0.000 1.046 409 L CA -0.458 54.456 54.840 0.123 0.000 0.816 409 L CB 0.784 42.815 42.059 -0.046 0.000 1.197 409 L HN 0.362 nan 8.230 nan 0.000 0.427 410 R N 3.886 124.568 120.500 0.304 0.000 2.439 410 R HA 0.420 4.762 4.340 0.003 0.000 0.310 410 R C -1.176 175.029 176.300 -0.159 0.000 0.955 410 R CA -0.952 55.230 56.100 0.137 0.000 0.853 410 R CB 1.690 31.989 30.300 -0.002 0.000 1.171 410 R HN 0.498 nan 8.270 nan 0.000 0.449 411 L N 6.868 127.754 121.223 -0.563 0.000 2.385 411 L HA 0.243 4.585 4.340 0.003 0.000 0.281 411 L C -0.701 175.826 176.870 -0.573 0.000 1.106 411 L CA 0.027 54.213 54.840 -1.091 0.000 0.856 411 L CB 0.982 42.165 42.059 -1.460 0.000 1.186 411 L HN 0.448 nan 8.230 nan 0.000 0.453 412 V N 2.148 121.726 119.914 -0.560 0.000 2.919 412 V HA 0.941 5.063 4.120 0.003 0.000 0.316 412 V C 0.286 176.327 176.094 -0.089 0.000 1.077 412 V CA -0.184 61.938 62.300 -0.297 0.000 0.977 412 V CB 1.588 33.251 31.823 -0.267 0.000 1.039 412 V HN 0.794 nan 8.190 nan 0.000 0.441 413 G N 3.009 111.834 108.800 0.041 0.000 3.102 413 G HA2 0.465 4.427 3.960 0.003 0.000 0.345 413 G HA3 0.465 4.427 3.960 0.003 0.000 0.345 413 G C -0.651 174.388 174.900 0.233 0.000 1.200 413 G CA -0.510 44.671 45.100 0.135 0.000 1.163 413 G HN 1.181 nan 8.290 nan 0.000 0.465 414 W N 0.000 121.375 121.300 0.125 0.000 2.388 414 W HA 0.000 4.662 4.660 0.003 0.000 0.303 414 W CA 0.000 57.396 57.345 0.085 0.000 1.226 414 W CB 0.000 29.544 29.460 0.139 0.000 1.126 414 W HN 0.000 nan 8.180 nan 0.000 0.535