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 3it9_1_B DATA FIRST_RESID 8 DATA SEQUENCE APSVDARAWI LMDYASGKVL AEGNADEKLD PASLTKIMTS YVVGQALKAD DATA SEQUENCE KIKLTDMVTV GKDAWATGNP ALRGSSVMFL KPGDQVSVAD LNKGVIIQSG DATA SEQUENCE NDACIALADY VAGSQESFIG LMNGYAKKLG LTNTTFQTVH GLDAPGQFST DATA SEQUENCE ARDMALLGKA LIHDVPEEYA IHKEKEFTFN KIRQPNRNRL LWSSNLNVDG DATA SEQUENCE MKTGTTAGAG YNLVASATQG DMRLISVVLG AKTDRIRFNE SEKLLTWGFR DATA SEQUENCE FFETVTPIKP DATFVTQRVW FGDKSEVNLG AGEAGSVTIP RGQLKNLKAS DATA SEQUENCE YTLTEPQLTA PLKKGQVVGT IDFQLNGKSI EQRPLIVMEN VEEGG 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.388 177.584 -0.327 0.000 1.274 8 A CA 0.000 51.906 52.037 -0.218 0.000 0.836 8 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 9 P HA 0.388 nan 4.420 nan 0.000 0.268 9 P C 0.461 177.562 177.300 -0.331 0.000 1.204 9 P CA 0.092 62.900 63.100 -0.486 0.000 0.768 9 P CB 1.014 32.302 31.700 -0.686 0.000 0.842 10 S N 1.868 117.418 115.700 -0.249 0.000 2.548 10 S HA 0.412 4.879 4.470 -0.004 0.000 0.277 10 S C -0.019 174.290 174.600 -0.484 0.000 1.315 10 S CA -0.698 57.342 58.200 -0.266 0.000 1.050 10 S CB 0.504 63.620 63.200 -0.142 0.000 0.918 10 S HN 0.457 nan 8.310 nan 0.000 0.497 11 V N 1.199 120.583 119.914 -0.882 0.000 2.680 11 V HA 0.560 4.678 4.120 -0.004 0.000 0.309 11 V C -0.691 175.014 176.094 -0.648 0.000 1.052 11 V CA -0.829 60.922 62.300 -0.915 0.000 0.908 11 V CB 1.877 32.863 31.823 -1.395 0.000 1.001 11 V HN 0.938 nan 8.190 nan 0.000 0.431 12 D N 4.261 124.453 120.400 -0.346 0.000 2.619 12 D HA 0.698 5.335 4.640 -0.004 0.000 0.224 12 D C -0.014 176.230 176.300 -0.093 0.000 1.133 12 D CA 0.890 54.789 54.000 -0.168 0.000 1.017 12 D CB 0.105 40.837 40.800 -0.112 0.000 1.077 12 D HN 1.189 nan 8.370 nan 0.000 0.503 13 A N 2.500 125.304 122.820 -0.026 0.000 2.564 13 A HA 0.427 4.745 4.320 -0.004 0.000 0.291 13 A C 0.917 178.638 177.584 0.227 0.000 1.102 13 A CA -0.701 51.392 52.037 0.093 0.000 0.660 13 A CB 1.038 20.091 19.000 0.089 0.000 1.283 13 A HN 0.224 nan 8.150 nan 0.000 0.430 14 R N -0.342 120.267 120.500 0.182 0.000 2.073 14 R HA 0.197 4.534 4.340 -0.004 0.000 0.234 14 R C 0.757 177.169 176.300 0.187 0.000 1.134 14 R CA 1.751 57.948 56.100 0.161 0.000 0.952 14 R CB -0.083 30.278 30.300 0.102 0.000 0.850 14 R HN 0.961 nan 8.270 nan 0.000 0.433 15 A N -0.106 122.849 122.820 0.225 0.000 2.587 15 A HA 0.581 4.898 4.320 -0.004 0.000 0.293 15 A C -1.955 175.811 177.584 0.303 0.000 1.087 15 A CA -0.731 51.376 52.037 0.117 0.000 0.692 15 A CB 1.025 20.023 19.000 -0.005 0.000 1.291 15 A HN 0.384 nan 8.150 nan 0.000 0.407 16 W N -0.104 121.186 121.300 -0.018 0.000 3.153 16 W HA 0.799 5.457 4.660 -0.004 0.000 0.316 16 W C -2.011 174.493 176.519 -0.025 0.000 1.255 16 W CA -0.735 56.598 57.345 -0.020 0.000 1.192 16 W CB 0.680 30.122 29.460 -0.030 0.000 1.400 16 W HN 0.822 nan 8.180 nan 0.000 0.568 17 I N 2.291 122.966 120.570 0.175 0.000 3.004 17 I HA 0.590 4.758 4.170 -0.004 0.000 0.305 17 I C -1.891 174.312 176.117 0.145 0.000 1.312 17 I CA -1.400 59.947 61.300 0.079 0.000 0.992 17 I CB 2.134 40.123 38.000 -0.017 0.000 1.282 17 I HN 0.718 nan 8.210 nan 0.000 0.449 18 L N 7.209 128.498 121.223 0.109 0.000 2.441 18 L HA 0.595 4.933 4.340 -0.004 0.000 0.270 18 L C -1.645 175.241 176.870 0.026 0.000 0.973 18 L CA -0.493 54.401 54.840 0.091 0.000 0.842 18 L CB 1.663 43.811 42.059 0.149 0.000 1.239 18 L HN 0.708 nan 8.230 nan 0.000 0.406 19 M N 4.952 124.556 119.600 0.007 0.000 2.263 19 M HA 0.296 4.773 4.480 -0.004 0.000 0.295 19 M C -1.004 175.284 176.300 -0.019 0.000 1.028 19 M CA -0.565 54.724 55.300 -0.019 0.000 0.921 19 M CB 2.156 34.753 32.600 -0.005 0.000 1.601 19 M HN 0.566 nan 8.290 nan 0.000 0.440 20 D N 2.912 123.283 120.400 -0.049 0.000 2.425 20 D HA -0.063 4.574 4.640 -0.004 0.000 0.247 20 D C 0.132 176.452 176.300 0.034 0.000 1.147 20 D CA 0.313 54.306 54.000 -0.013 0.000 0.879 20 D CB 0.854 41.626 40.800 -0.046 0.000 1.179 20 D HN 0.751 nan 8.370 nan 0.000 0.456 21 Y N 4.490 124.776 120.300 -0.023 0.000 2.200 21 Y HA -0.075 4.473 4.550 -0.004 0.000 0.290 21 Y C 1.911 177.804 175.900 -0.012 0.000 1.137 21 Y CA 1.947 60.037 58.100 -0.017 0.000 1.163 21 Y CB -0.102 38.356 38.460 -0.003 0.000 0.988 21 Y HN 0.493 nan 8.280 nan 0.000 0.518 22 A N -0.545 122.208 122.820 -0.111 0.000 1.930 22 A HA -0.070 4.248 4.320 -0.004 0.000 0.215 22 A C 2.334 179.811 177.584 -0.180 0.000 1.176 22 A CA 1.756 53.672 52.037 -0.201 0.000 0.632 22 A CB -1.012 17.981 19.000 -0.011 0.000 0.819 22 A HN 0.553 nan 8.150 nan 0.000 0.445 23 S N -2.741 112.889 115.700 -0.117 0.000 2.492 23 S HA 0.393 4.860 4.470 -0.004 0.000 0.218 23 S C 1.506 176.049 174.600 -0.096 0.000 1.016 23 S CA 1.173 59.315 58.200 -0.096 0.000 0.916 23 S CB -0.011 63.143 63.200 -0.077 0.000 0.791 23 S HN 1.872 nan 8.310 nan 0.000 0.513 24 G N 1.548 110.285 108.800 -0.105 0.000 2.162 24 G HA2 -0.276 3.681 3.960 -0.004 0.000 0.260 24 G HA3 -0.276 3.681 3.960 -0.004 0.000 0.260 24 G C -0.000 174.859 174.900 -0.069 0.000 0.976 24 G CA 0.329 45.377 45.100 -0.088 0.000 0.655 24 G HN 0.602 nan 8.290 nan 0.000 0.533 25 K N 0.762 121.118 120.400 -0.074 0.000 2.412 25 K HA 0.350 4.667 4.320 -0.004 0.000 0.281 25 K C 0.614 177.157 176.600 -0.095 0.000 1.027 25 K CA -0.184 56.054 56.287 -0.082 0.000 0.989 25 K CB 0.654 33.093 32.500 -0.101 0.000 0.935 25 K HN 0.059 nan 8.250 nan 0.000 0.475 26 V N 7.421 127.287 119.914 -0.080 0.000 2.427 26 V HA 0.021 4.138 4.120 -0.004 0.000 0.268 26 V C 1.405 177.442 176.094 -0.095 0.000 1.046 26 V CA 0.003 62.260 62.300 -0.072 0.000 0.970 26 V CB 0.746 32.536 31.823 -0.055 0.000 1.001 26 V HN 0.748 nan 8.190 nan 0.000 0.476 27 L N 3.835 124.996 121.223 -0.104 0.000 2.354 27 L HA 0.482 4.820 4.340 -0.004 0.000 0.212 27 L C 0.924 177.876 176.870 0.137 0.000 1.091 27 L CA 0.781 55.543 54.840 -0.131 0.000 0.828 27 L CB 0.023 41.918 42.059 -0.274 0.000 0.973 27 L HN 0.752 nan 8.230 nan 0.000 0.461 28 A N 0.629 123.508 122.820 0.098 0.000 2.604 28 A HA 0.685 5.003 4.320 -0.004 0.000 0.295 28 A C -1.420 176.198 177.584 0.056 0.000 1.067 28 A CA -0.479 51.610 52.037 0.086 0.000 0.683 28 A CB 1.530 20.544 19.000 0.024 0.000 1.281 28 A HN 0.175 nan 8.150 nan 0.000 0.407 29 E N 0.033 120.215 120.200 -0.030 0.000 2.388 29 E HA 0.601 4.948 4.350 -0.004 0.000 0.281 29 E C -0.508 175.529 176.600 -0.938 0.000 1.046 29 E CA -0.769 55.376 56.400 -0.425 0.000 0.825 29 E CB 1.533 31.066 29.700 -0.277 0.000 1.243 29 E HN 1.557 nan 8.360 nan 0.000 0.438 30 G N 0.978 108.701 108.800 -1.795 0.000 2.741 30 G HA2 0.446 4.403 3.960 -0.004 0.000 0.293 30 G HA3 0.446 4.403 3.960 -0.004 0.000 0.293 30 G C -0.610 173.702 174.900 -0.980 0.000 1.457 30 G CA -0.792 43.264 45.100 -1.742 0.000 1.098 30 G HN 0.683 nan 8.290 nan 0.000 0.536 31 N N -0.397 117.988 118.700 -0.525 0.000 2.701 31 N HA -0.278 4.459 4.740 -0.004 0.000 0.250 31 N C 1.454 176.815 175.510 -0.248 0.000 1.046 31 N CA 0.895 53.769 53.050 -0.294 0.000 0.733 31 N CB -0.342 38.026 38.487 -0.198 0.000 0.973 31 N HN 0.864 nan 8.380 nan 0.000 0.541 32 A N -0.669 121.985 122.820 -0.276 0.000 2.206 32 A HA -0.059 4.259 4.320 -0.004 0.000 0.211 32 A C 1.245 178.750 177.584 -0.131 0.000 1.158 32 A CA 0.882 52.794 52.037 -0.209 0.000 0.761 32 A CB 0.262 19.129 19.000 -0.222 0.000 0.801 32 A HN 0.378 nan 8.150 nan 0.000 0.473 33 D N -0.645 119.680 120.400 -0.125 0.000 2.469 33 D HA 0.061 4.698 4.640 -0.004 0.000 0.215 33 D C 0.091 176.336 176.300 -0.091 0.000 1.154 33 D CA -0.097 53.845 54.000 -0.097 0.000 0.832 33 D CB 0.283 41.026 40.800 -0.094 0.000 1.008 33 D HN 0.618 nan 8.370 nan 0.000 0.506 34 E N 1.896 122.042 120.200 -0.090 0.000 2.290 34 E HA 0.055 4.402 4.350 -0.004 0.000 0.277 34 E C -0.335 176.237 176.600 -0.047 0.000 1.035 34 E CA -0.249 56.106 56.400 -0.075 0.000 0.873 34 E CB 0.689 30.350 29.700 -0.064 0.000 1.029 34 E HN -0.149 nan 8.360 nan 0.000 0.419 35 K N 4.112 124.466 120.400 -0.075 0.000 2.378 35 K HA 0.135 4.452 4.320 -0.004 0.000 0.288 35 K C -0.801 175.889 176.600 0.151 0.000 1.057 35 K CA -0.178 56.088 56.287 -0.035 0.000 0.971 35 K CB 0.364 32.683 32.500 -0.302 0.000 0.975 35 K HN 0.264 nan 8.250 nan 0.000 0.475 36 L N 1.958 123.325 121.223 0.240 0.000 2.309 36 L HA 0.235 4.572 4.340 -0.004 0.000 0.261 36 L C -0.299 176.682 176.870 0.185 0.000 1.021 36 L CA -0.789 54.194 54.840 0.237 0.000 0.823 36 L CB 1.359 43.485 42.059 0.112 0.000 1.366 36 L HN 0.488 nan 8.230 nan 0.000 0.423 37 D N 2.588 123.016 120.400 0.047 0.000 2.401 37 D HA 0.121 4.759 4.640 -0.004 0.000 0.254 37 D C -1.680 174.614 176.300 -0.009 0.000 1.192 37 D CA -1.076 52.873 54.000 -0.085 0.000 0.885 37 D CB 1.149 41.883 40.800 -0.111 0.000 1.147 37 D HN 0.267 nan 8.370 nan 0.000 0.478 38 P HA 0.050 nan 4.420 nan 0.000 0.230 38 P C 0.592 177.927 177.300 0.058 0.000 1.168 38 P CA 0.831 63.970 63.100 0.065 0.000 0.793 38 P CB 0.058 31.835 31.700 0.129 0.000 0.851 39 A N 0.683 123.523 122.820 0.032 0.000 5.578 39 A HA -0.306 4.011 4.320 -0.004 0.000 0.312 39 A C 1.945 179.570 177.584 0.069 0.000 1.861 39 A CA 2.034 54.090 52.037 0.031 0.000 0.719 39 A CB -2.389 16.606 19.000 -0.008 0.000 1.323 39 A HN 0.203 nan 8.150 nan 0.000 0.387 40 S N -0.049 115.685 115.700 0.056 0.000 2.500 40 S HA -0.001 4.466 4.470 -0.004 0.000 0.239 40 S C 1.647 176.303 174.600 0.093 0.000 0.989 40 S CA 1.351 59.594 58.200 0.073 0.000 0.951 40 S CB -0.673 62.563 63.200 0.061 0.000 0.759 40 S HN 0.508 nan 8.310 nan 0.000 0.523 41 L N 0.862 122.146 121.223 0.102 0.000 2.261 41 L HA -0.134 4.203 4.340 -0.004 0.000 0.216 41 L C 2.389 179.344 176.870 0.142 0.000 1.114 41 L CA 0.961 55.876 54.840 0.125 0.000 0.777 41 L CB -1.408 40.725 42.059 0.125 0.000 0.910 41 L HN 0.276 nan 8.230 nan 0.000 0.440 42 T N -0.184 114.460 114.554 0.149 0.000 2.778 42 T HA -0.196 4.151 4.350 -0.004 0.000 0.269 42 T C 1.815 176.484 174.700 -0.052 0.000 1.050 42 T CA 1.311 63.463 62.100 0.088 0.000 1.137 42 T CB -0.120 68.819 68.868 0.118 0.000 0.860 42 T HN 0.392 nan 8.240 nan 0.000 0.468 43 K N 0.378 120.800 120.400 0.036 0.000 2.439 43 K HA 0.159 4.477 4.320 -0.004 0.000 0.197 43 K C 1.953 178.607 176.600 0.091 0.000 1.041 43 K CA 0.456 56.771 56.287 0.047 0.000 0.970 43 K CB -0.172 32.367 32.500 0.065 0.000 0.773 43 K HN 0.371 nan 8.250 nan 0.000 0.479 44 I N 0.653 121.285 120.570 0.103 0.000 2.208 44 I HA -0.299 3.868 4.170 -0.004 0.000 0.245 44 I C 2.444 178.607 176.117 0.077 0.000 1.097 44 I CA 1.064 62.436 61.300 0.120 0.000 1.363 44 I CB -0.119 37.943 38.000 0.105 0.000 1.051 44 I HN 0.190 nan 8.210 nan 0.000 0.413 45 M N 0.369 119.943 119.600 -0.042 0.000 2.200 45 M HA -0.116 4.361 4.480 -0.004 0.000 0.265 45 M C 2.212 178.499 176.300 -0.022 0.000 1.066 45 M CA 1.940 57.163 55.300 -0.128 0.000 1.127 45 M CB -0.664 31.613 32.600 -0.540 0.000 1.379 45 M HN 0.043 nan 8.290 nan 0.000 0.420 46 T N -0.620 113.942 114.554 0.014 0.000 2.720 46 T HA -0.143 4.205 4.350 -0.004 0.000 0.268 46 T C 1.987 176.831 174.700 0.240 0.000 1.037 46 T CA 1.874 64.109 62.100 0.227 0.000 1.144 46 T CB -0.489 68.450 68.868 0.118 0.000 0.864 46 T HN 0.541 nan 8.240 nan 0.000 0.444 47 S N -0.331 115.467 115.700 0.163 0.000 2.387 47 S HA -0.072 4.396 4.470 -0.004 0.000 0.226 47 S C 1.817 176.494 174.600 0.127 0.000 1.026 47 S CA 0.582 58.877 58.200 0.159 0.000 0.972 47 S CB -0.541 62.797 63.200 0.230 0.000 0.814 47 S HN 0.566 nan 8.310 nan 0.000 0.477 48 Y N 2.056 122.349 120.300 -0.010 0.000 2.114 48 Y HA -0.208 4.339 4.550 -0.004 0.000 0.282 48 Y C 2.204 177.990 175.900 -0.190 0.000 1.165 48 Y CA 2.209 60.239 58.100 -0.116 0.000 1.148 48 Y CB -0.577 37.775 38.460 -0.180 0.000 0.972 48 Y HN 0.136 nan 8.280 nan 0.000 0.504 49 V N -1.149 118.780 119.914 0.026 0.000 2.261 49 V HA -0.316 3.802 4.120 -0.004 0.000 0.246 49 V C 2.327 178.438 176.094 0.029 0.000 1.047 49 V CA 1.726 63.995 62.300 -0.052 0.000 1.015 49 V CB -0.920 30.800 31.823 -0.171 0.000 0.642 49 V HN 0.345 nan 8.190 nan 0.000 0.446 50 V N 1.069 121.078 119.914 0.157 0.000 2.324 50 V HA -0.249 3.869 4.120 -0.004 0.000 0.250 50 V C 2.589 178.696 176.094 0.023 0.000 1.060 50 V CA 2.342 64.722 62.300 0.133 0.000 1.042 50 V CB -1.410 30.487 31.823 0.123 0.000 0.650 50 V HN 0.635 nan 8.190 nan 0.000 0.450 51 G N -1.564 107.206 108.800 -0.051 0.000 2.421 51 G HA2 -0.180 3.778 3.960 -0.004 0.000 0.217 51 G HA3 -0.180 3.778 3.960 -0.004 0.000 0.217 51 G C 1.491 176.293 174.900 -0.163 0.000 1.143 51 G CA 0.283 45.320 45.100 -0.104 0.000 0.784 51 G HN 0.458 nan 8.290 nan 0.000 0.541 52 Q N 0.514 120.166 119.800 -0.248 0.000 2.083 52 Q HA 0.028 4.365 4.340 -0.004 0.000 0.198 52 Q C 3.016 178.984 176.000 -0.054 0.000 0.969 52 Q CA 1.239 56.923 55.803 -0.199 0.000 0.838 52 Q CB -0.562 28.016 28.738 -0.267 0.000 0.900 52 Q HN 0.430 nan 8.270 nan 0.000 0.436 53 A N 1.130 123.943 122.820 -0.010 0.000 1.883 53 A HA -0.183 4.134 4.320 -0.004 0.000 0.217 53 A C 2.272 179.868 177.584 0.019 0.000 1.186 53 A CA 1.337 53.391 52.037 0.028 0.000 0.624 53 A CB -0.823 18.216 19.000 0.065 0.000 0.822 53 A HN 0.298 nan 8.150 nan 0.000 0.444 54 L N -0.838 120.392 121.223 0.011 0.000 2.017 54 L HA -0.184 4.154 4.340 -0.004 0.000 0.208 54 L C 2.624 179.493 176.870 -0.002 0.000 1.073 54 L CA 1.965 56.812 54.840 0.012 0.000 0.745 54 L CB -0.381 41.681 42.059 0.006 0.000 0.894 54 L HN 0.427 nan 8.230 nan 0.000 0.432 55 K N 0.188 120.573 120.400 -0.024 0.000 2.152 55 K HA -0.162 4.156 4.320 -0.004 0.000 0.206 55 K C 1.744 178.338 176.600 -0.010 0.000 1.048 55 K CA 1.337 57.609 56.287 -0.026 0.000 0.933 55 K CB -0.023 32.444 32.500 -0.054 0.000 0.721 55 K HN 0.316 nan 8.250 nan 0.000 0.447 56 A N 0.317 123.135 122.820 -0.002 0.000 2.275 56 A HA 0.052 4.370 4.320 -0.004 0.000 0.212 56 A C 0.133 177.724 177.584 0.011 0.000 1.201 56 A CA 0.696 52.738 52.037 0.009 0.000 0.843 56 A CB -0.024 18.987 19.000 0.018 0.000 0.873 56 A HN 0.595 nan 8.150 nan 0.000 0.492 57 D N -2.072 118.335 120.400 0.012 0.000 2.870 57 D HA -0.138 4.499 4.640 -0.004 0.000 0.228 57 D C 0.938 177.249 176.300 0.018 0.000 1.147 57 D CA 1.087 55.097 54.000 0.017 0.000 0.757 57 D CB -0.281 40.528 40.800 0.014 0.000 1.091 57 D HN 0.249 nan 8.370 nan 0.000 0.429 58 K N -0.370 120.039 120.400 0.016 0.000 2.305 58 K HA 0.258 4.576 4.320 -0.004 0.000 0.199 58 K C 1.244 177.849 176.600 0.008 0.000 1.047 58 K CA 0.833 57.122 56.287 0.003 0.000 0.976 58 K CB 0.028 32.524 32.500 -0.007 0.000 0.765 58 K HN 0.710 nan 8.250 nan 0.000 0.474 59 I N -3.113 117.485 120.570 0.046 0.000 3.191 59 I HA 0.474 4.641 4.170 -0.004 0.000 0.313 59 I C -1.374 174.803 176.117 0.100 0.000 1.193 59 I CA -1.248 60.121 61.300 0.116 0.000 0.968 59 I CB 2.408 40.533 38.000 0.209 0.000 1.262 59 I HN -0.277 nan 8.210 nan 0.000 0.456 60 K N 1.638 122.109 120.400 0.118 0.000 2.477 60 K HA 0.508 4.825 4.320 -0.004 0.000 0.255 60 K C 0.118 176.749 176.600 0.052 0.000 0.952 60 K CA -0.846 55.481 56.287 0.067 0.000 0.826 60 K CB 2.759 35.291 32.500 0.053 0.000 1.331 60 K HN 0.582 nan 8.250 nan 0.000 0.437 61 L N 0.697 121.935 121.223 0.026 0.000 2.129 61 L HA -0.229 4.108 4.340 -0.004 0.000 0.212 61 L C 2.145 179.015 176.870 0.000 0.000 1.087 61 L CA 1.963 56.807 54.840 0.007 0.000 0.757 61 L CB -0.753 41.306 42.059 0.001 0.000 0.896 61 L HN 0.888 nan 8.230 nan 0.000 0.434 62 T N -5.051 109.509 114.554 0.009 0.000 3.113 62 T HA 0.006 4.353 4.350 -0.004 0.000 0.256 62 T C 0.614 175.310 174.700 -0.006 0.000 1.131 62 T CA -0.311 61.792 62.100 0.005 0.000 1.074 62 T CB -0.338 68.537 68.868 0.013 0.000 0.944 62 T HN 0.039 nan 8.240 nan 0.000 0.516 63 D N 1.844 122.240 120.400 -0.007 0.000 2.443 63 D HA 0.294 4.932 4.640 -0.004 0.000 0.239 63 D C -0.323 175.896 176.300 -0.135 0.000 1.136 63 D CA 0.150 54.131 54.000 -0.032 0.000 0.879 63 D CB 0.588 41.408 40.800 0.033 0.000 1.195 63 D HN 0.178 nan 8.370 nan 0.000 0.443 64 M N 2.482 122.005 119.600 -0.129 0.000 2.113 64 M HA 0.242 4.719 4.480 -0.004 0.000 0.352 64 M C -0.874 175.265 176.300 -0.269 0.000 1.170 64 M CA -0.838 54.373 55.300 -0.149 0.000 1.053 64 M CB 1.419 33.981 32.600 -0.063 0.000 1.601 64 M HN 0.134 nan 8.290 nan 0.000 0.459 65 V N 4.258 123.972 119.914 -0.334 0.000 2.581 65 V HA 0.715 4.832 4.120 -0.004 0.000 0.303 65 V C -0.445 175.565 176.094 -0.140 0.000 1.041 65 V CA -0.234 61.853 62.300 -0.355 0.000 0.907 65 V CB 1.952 33.414 31.823 -0.602 0.000 0.994 65 V HN 0.840 nan 8.190 nan 0.000 0.442 66 T N 5.805 120.319 114.554 -0.066 0.000 2.806 66 T HA 0.474 4.821 4.350 -0.004 0.000 0.290 66 T C -0.187 174.504 174.700 -0.016 0.000 0.966 66 T CA -0.169 61.915 62.100 -0.027 0.000 1.060 66 T CB 1.204 70.070 68.868 -0.004 0.000 0.927 66 T HN 0.681 nan 8.240 nan 0.000 0.485 67 V N 3.823 123.725 119.914 -0.020 0.000 2.461 67 V HA 0.491 4.609 4.120 -0.004 0.000 0.275 67 V C 1.123 177.208 176.094 -0.015 0.000 1.047 67 V CA -0.391 61.901 62.300 -0.014 0.000 0.955 67 V CB 1.017 32.834 31.823 -0.011 0.000 0.988 67 V HN 1.030 nan 8.190 nan 0.000 0.471 68 G N 3.405 112.210 108.800 0.009 0.000 2.557 68 G HA2 0.274 4.232 3.960 -0.004 0.000 0.292 68 G HA3 0.274 4.232 3.960 -0.004 0.000 0.292 68 G C 0.631 175.553 174.900 0.037 0.000 1.237 68 G CA -0.506 44.605 45.100 0.018 0.000 0.978 68 G HN 0.665 nan 8.290 nan 0.000 0.498 69 K N -0.428 120.009 120.400 0.061 0.000 2.288 69 K HA -0.088 4.229 4.320 -0.004 0.000 0.201 69 K C 2.010 178.739 176.600 0.216 0.000 1.048 69 K CA 1.285 57.664 56.287 0.154 0.000 0.956 69 K CB 0.098 32.691 32.500 0.155 0.000 0.746 69 K HN 0.640 nan 8.250 nan 0.000 0.461 70 D N 0.174 120.656 120.400 0.135 0.000 2.264 70 D HA -0.124 4.514 4.640 -0.004 0.000 0.208 70 D C 1.160 177.533 176.300 0.121 0.000 0.966 70 D CA 0.784 54.855 54.000 0.117 0.000 0.864 70 D CB -0.059 40.790 40.800 0.081 0.000 0.933 70 D HN 0.050 nan 8.370 nan 0.000 0.499 71 A N -0.804 122.092 122.820 0.127 0.000 2.337 71 A HA 0.163 4.480 4.320 -0.004 0.000 0.227 71 A C -0.151 177.555 177.584 0.203 0.000 1.259 71 A CA -0.597 51.508 52.037 0.114 0.000 0.870 71 A CB -0.772 18.266 19.000 0.063 0.000 0.927 71 A HN 0.253 nan 8.150 nan 0.000 0.497 72 W N 0.773 122.076 121.300 0.006 0.000 2.342 72 W HA 0.557 5.214 4.660 -0.005 0.000 0.310 72 W C 0.833 177.353 176.519 0.002 0.000 1.128 72 W CA -1.233 56.120 57.345 0.014 0.000 1.322 72 W CB 0.535 30.009 29.460 0.023 0.000 1.251 72 W HN 0.265 nan 8.180 nan 0.000 0.439 73 A N 4.201 127.077 122.820 0.093 0.000 1.834 73 A HA -0.228 4.090 4.320 -0.004 0.000 0.216 73 A C 2.021 179.405 177.584 -0.334 0.000 1.203 73 A CA 2.760 54.731 52.037 -0.110 0.000 0.621 73 A CB -1.173 17.790 19.000 -0.062 0.000 0.841 73 A HN 0.598 nan 8.150 nan 0.000 0.446 74 T N 0.006 114.241 114.554 -0.531 0.000 2.450 74 T HA -0.189 4.158 4.350 -0.004 0.000 0.250 74 T C 1.563 175.739 174.700 -0.873 0.000 1.264 74 T CA 1.890 63.550 62.100 -0.733 0.000 1.191 74 T CB -1.060 67.274 68.868 -0.890 0.000 0.862 74 T HN 0.700 nan 8.240 nan 0.000 0.411 75 G N 2.140 110.008 108.800 -1.553 0.000 3.414 75 G HA2 0.242 4.199 3.960 -0.004 0.000 0.258 75 G HA3 0.242 4.199 3.960 -0.004 0.000 0.258 75 G C 0.046 174.781 174.900 -0.275 0.000 1.348 75 G CA -0.295 44.300 45.100 -0.842 0.000 1.319 75 G HN 0.463 nan 8.290 nan 0.000 0.555 76 N N -0.180 118.372 118.700 -0.247 0.000 2.549 76 N HA 0.293 5.031 4.740 -0.004 0.000 0.290 76 N C -2.237 173.209 175.510 -0.106 0.000 1.122 76 N CA -1.766 51.227 53.050 -0.095 0.000 0.885 76 N CB 2.478 40.957 38.487 -0.014 0.000 1.455 76 N HN -0.215 nan 8.380 nan 0.000 0.521 77 P HA -0.069 nan 4.420 nan 0.000 0.215 77 P C 0.972 178.226 177.300 -0.077 0.000 1.157 77 P CA 1.627 64.680 63.100 -0.078 0.000 0.868 77 P CB 0.217 31.887 31.700 -0.050 0.000 0.788 78 A N -0.917 121.866 122.820 -0.062 0.000 2.070 78 A HA -0.116 4.201 4.320 -0.004 0.000 0.220 78 A C 1.765 179.275 177.584 -0.123 0.000 1.159 78 A CA 1.724 53.720 52.037 -0.069 0.000 0.656 78 A CB -1.297 17.683 19.000 -0.033 0.000 0.800 78 A HN 0.328 nan 8.150 nan 0.000 0.453 79 L N -4.424 116.717 121.223 -0.136 0.000 2.858 79 L HA 0.450 4.787 4.340 -0.004 0.000 0.251 79 L C 0.716 177.503 176.870 -0.139 0.000 1.149 79 L CA -0.367 54.370 54.840 -0.171 0.000 0.955 79 L CB -0.160 41.779 42.059 -0.201 0.000 1.289 79 L HN 0.052 nan 8.230 nan 0.000 0.542 80 R N 1.709 122.136 120.500 -0.122 0.000 2.501 80 R HA 0.267 4.605 4.340 -0.004 0.000 0.319 80 R C 1.310 177.559 176.300 -0.085 0.000 0.913 80 R CA 1.443 57.478 56.100 -0.108 0.000 1.104 80 R CB -0.204 30.034 30.300 -0.104 0.000 0.901 80 R HN 0.666 nan 8.270 nan 0.000 0.407 81 G N 2.048 110.805 108.800 -0.073 0.000 2.234 81 G HA2 -0.345 3.612 3.960 -0.004 0.000 0.235 81 G HA3 -0.345 3.612 3.960 -0.004 0.000 0.235 81 G C 0.134 174.995 174.900 -0.064 0.000 0.997 81 G CA 0.241 45.310 45.100 -0.050 0.000 0.623 81 G HN 0.789 nan 8.290 nan 0.000 0.514 82 S N 0.478 116.120 115.700 -0.097 0.000 2.634 82 S HA 0.630 5.097 4.470 -0.004 0.000 0.261 82 S C 0.848 175.377 174.600 -0.118 0.000 1.271 82 S CA 0.756 58.894 58.200 -0.104 0.000 0.985 82 S CB 1.317 64.434 63.200 -0.137 0.000 0.968 82 S HN 1.988 nan 8.310 nan 0.000 0.568 83 S N 0.014 115.656 115.700 -0.096 0.000 2.562 83 S HA 0.546 5.014 4.470 -0.004 0.000 0.281 83 S C -0.327 174.176 174.600 -0.161 0.000 1.333 83 S CA -0.604 57.535 58.200 -0.101 0.000 1.052 83 S CB 0.138 63.315 63.200 -0.038 0.000 0.884 83 S HN 0.993 nan 8.310 nan 0.000 0.506 84 V N 3.939 123.704 119.914 -0.247 0.000 3.077 84 V HA 0.295 4.413 4.120 -0.004 0.000 0.299 84 V C 0.191 176.038 176.094 -0.411 0.000 1.276 84 V CA -0.656 61.419 62.300 -0.375 0.000 0.993 84 V CB 2.342 33.822 31.823 -0.571 0.000 1.076 84 V HN 1.084 nan 8.190 nan 0.000 0.434 85 M N 2.881 122.346 119.600 -0.225 0.000 2.509 85 M HA 0.303 4.781 4.480 -0.004 0.000 0.250 85 M C 0.236 176.662 176.300 0.210 0.000 1.132 85 M CA 0.876 56.176 55.300 0.000 0.000 1.080 85 M CB 0.130 32.705 32.600 -0.042 0.000 1.408 85 M HN 0.774 nan 8.290 nan 0.000 0.484 86 F N -0.547 119.487 119.950 0.140 0.000 2.893 86 F HA -0.213 4.312 4.527 -0.004 0.000 0.287 86 F C -0.196 175.726 175.800 0.203 0.000 0.766 86 F CA -0.414 57.687 58.000 0.168 0.000 1.362 86 F CB -2.264 36.827 39.000 0.151 0.000 1.518 86 F HN 0.016 nan 8.300 nan 0.000 0.417 87 L N 1.414 122.801 121.223 0.274 0.000 2.490 87 L HA 0.177 4.515 4.340 -0.004 0.000 0.274 87 L C 0.582 177.578 176.870 0.211 0.000 1.201 87 L CA 0.588 55.559 54.840 0.217 0.000 0.869 87 L CB 0.385 42.509 42.059 0.109 0.000 1.123 87 L HN 0.113 nan 8.230 nan 0.000 0.484 88 K N 2.826 123.269 120.400 0.072 0.000 2.328 88 K HA 0.535 4.853 4.320 -0.004 0.000 0.246 88 K C -2.615 173.819 176.600 -0.277 0.000 0.955 88 K CA -2.218 53.944 56.287 -0.208 0.000 0.817 88 K CB 1.179 33.552 32.500 -0.212 0.000 1.208 88 K HN 0.195 nan 8.250 nan 0.000 0.432 89 P HA -0.137 nan 4.420 nan 0.000 0.263 89 P C 0.752 177.928 177.300 -0.207 0.000 1.175 89 P CA 1.378 64.288 63.100 -0.317 0.000 0.761 89 P CB 0.340 31.777 31.700 -0.438 0.000 0.794 90 G N 2.307 111.037 108.800 -0.117 0.000 2.320 90 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.242 90 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.242 90 G C 0.027 174.896 174.900 -0.050 0.000 1.033 90 G CA 0.051 45.105 45.100 -0.078 0.000 0.620 90 G HN 0.538 nan 8.290 nan 0.000 0.517 91 D N 1.775 122.147 120.400 -0.047 0.000 2.730 91 D HA 0.257 4.894 4.640 -0.004 0.000 0.225 91 D C 0.731 177.034 176.300 0.006 0.000 1.107 91 D CA 0.981 54.982 54.000 0.002 0.000 0.837 91 D CB 0.337 41.161 40.800 0.041 0.000 1.171 91 D HN 0.493 nan 8.370 nan 0.000 0.498 92 Q N 1.083 120.894 119.800 0.020 0.000 2.333 92 Q HA 0.521 4.858 4.340 -0.004 0.000 0.265 92 Q C -1.017 175.007 176.000 0.039 0.000 0.989 92 Q CA -0.741 55.066 55.803 0.007 0.000 0.842 92 Q CB 1.981 30.717 28.738 -0.002 0.000 1.262 92 Q HN 0.195 nan 8.270 nan 0.000 0.451 93 V N 1.458 121.375 119.914 0.006 0.000 2.876 93 V HA 0.370 4.487 4.120 -0.004 0.000 0.312 93 V C -0.018 176.047 176.094 -0.048 0.000 1.085 93 V CA -0.867 61.453 62.300 0.033 0.000 0.945 93 V CB 2.110 33.931 31.823 -0.004 0.000 1.017 93 V HN 0.882 nan 8.190 nan 0.000 0.428 94 S N 2.339 118.032 115.700 -0.011 0.000 2.592 94 S HA 0.319 4.786 4.470 -0.004 0.000 0.271 94 S C 1.040 175.581 174.600 -0.098 0.000 1.326 94 S CA -0.327 57.841 58.200 -0.053 0.000 1.024 94 S CB 1.538 64.739 63.200 0.001 0.000 0.921 94 S HN 0.460 nan 8.310 nan 0.000 0.527 95 V N 2.848 122.689 119.914 -0.123 0.000 2.332 95 V HA -0.210 3.908 4.120 -0.004 0.000 0.248 95 V C 3.007 179.054 176.094 -0.078 0.000 1.055 95 V CA 2.410 64.647 62.300 -0.105 0.000 1.038 95 V CB -1.851 29.942 31.823 -0.051 0.000 0.651 95 V HN 1.043 nan 8.190 nan 0.000 0.450 96 A N -0.008 122.781 122.820 -0.053 0.000 1.884 96 A HA -0.331 3.987 4.320 -0.004 0.000 0.219 96 A C 2.037 179.566 177.584 -0.092 0.000 1.197 96 A CA 2.466 54.471 52.037 -0.054 0.000 0.637 96 A CB -0.727 18.265 19.000 -0.014 0.000 0.827 96 A HN 0.562 nan 8.150 nan 0.000 0.450 97 D N -0.718 119.654 120.400 -0.047 0.000 2.123 97 D HA -0.062 4.576 4.640 -0.004 0.000 0.200 97 D C 1.878 178.063 176.300 -0.193 0.000 0.976 97 D CA 0.785 54.775 54.000 -0.017 0.000 0.831 97 D CB -0.354 40.498 40.800 0.086 0.000 0.974 97 D HN 0.226 nan 8.370 nan 0.000 0.469 98 L N 1.593 122.699 121.223 -0.196 0.000 2.012 98 L HA -0.150 4.187 4.340 -0.004 0.000 0.210 98 L C 1.985 178.728 176.870 -0.211 0.000 1.073 98 L CA 1.427 56.142 54.840 -0.207 0.000 0.748 98 L CB -1.210 40.751 42.059 -0.164 0.000 0.891 98 L HN 0.138 nan 8.230 nan 0.000 0.431 99 N N -0.432 118.155 118.700 -0.188 0.000 2.043 99 N HA -0.250 4.488 4.740 -0.004 0.000 0.193 99 N C 1.795 177.132 175.510 -0.288 0.000 1.037 99 N CA 1.526 54.468 53.050 -0.180 0.000 0.851 99 N CB 0.093 38.502 38.487 -0.129 0.000 1.027 99 N HN 0.353 nan 8.380 nan 0.000 0.422 100 K N 0.056 120.190 120.400 -0.444 0.000 2.097 100 K HA -0.061 4.256 4.320 -0.004 0.000 0.206 100 K C 2.110 178.247 176.600 -0.771 0.000 1.049 100 K CA 1.036 56.892 56.287 -0.717 0.000 0.933 100 K CB -0.371 31.437 32.500 -1.153 0.000 0.717 100 K HN 0.257 nan 8.250 nan 0.000 0.442 101 G N 1.335 109.743 108.800 -0.653 0.000 2.553 101 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.218 101 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.218 101 G C 1.599 176.399 174.900 -0.167 0.000 1.195 101 G CA 1.530 46.484 45.100 -0.244 0.000 0.779 101 G HN 0.300 nan 8.290 nan 0.000 0.577 102 V N -0.116 119.694 119.914 -0.172 0.000 2.427 102 V HA -0.035 4.083 4.120 -0.004 0.000 0.248 102 V C 2.591 178.612 176.094 -0.121 0.000 1.051 102 V CA 1.939 64.173 62.300 -0.110 0.000 1.048 102 V CB -0.333 31.440 31.823 -0.083 0.000 0.666 102 V HN 0.435 nan 8.190 nan 0.000 0.456 103 I N -0.337 120.104 120.570 -0.215 0.000 2.235 103 I HA -0.052 4.116 4.170 -0.004 0.000 0.241 103 I C 2.433 178.394 176.117 -0.261 0.000 1.085 103 I CA 1.940 63.052 61.300 -0.314 0.000 1.378 103 I CB -0.134 37.559 38.000 -0.512 0.000 1.076 103 I HN 0.258 nan 8.210 nan 0.000 0.415 104 I N -0.042 120.387 120.570 -0.236 0.000 2.494 104 I HA -0.168 4.000 4.170 -0.004 0.000 0.250 104 I C 2.139 178.266 176.117 0.018 0.000 1.112 104 I CA 1.032 62.268 61.300 -0.107 0.000 1.438 104 I CB -0.163 37.782 38.000 -0.091 0.000 1.111 104 I HN 0.191 nan 8.210 nan 0.000 0.431 105 Q N 0.045 119.867 119.800 0.037 0.000 2.408 105 Q HA 0.145 4.482 4.340 -0.004 0.000 0.205 105 Q C 0.406 176.437 176.000 0.051 0.000 0.919 105 Q CA 0.129 55.995 55.803 0.105 0.000 0.932 105 Q CB 0.625 29.476 28.738 0.189 0.000 1.058 105 Q HN 0.266 nan 8.270 nan 0.000 0.517 106 S N 1.040 116.748 115.700 0.014 0.000 3.559 106 S HA -0.146 4.321 4.470 -0.004 0.000 0.369 106 S C 0.387 174.981 174.600 -0.010 0.000 0.987 106 S CA 0.256 58.460 58.200 0.007 0.000 1.187 106 S CB -1.348 61.871 63.200 0.032 0.000 0.914 106 S HN 0.668 nan 8.310 nan 0.000 0.480 107 G N 1.189 109.974 108.800 -0.025 0.000 2.335 107 G HA2 0.221 4.179 3.960 -0.004 0.000 0.268 107 G HA3 0.221 4.179 3.960 -0.004 0.000 0.268 107 G C 0.807 175.677 174.900 -0.051 0.000 1.228 107 G CA -0.467 44.603 45.100 -0.050 0.000 0.968 107 G HN 0.480 nan 8.290 nan 0.000 0.459 108 N N 2.051 120.710 118.700 -0.069 0.000 2.270 108 N HA -0.112 4.625 4.740 -0.004 0.000 0.181 108 N C 1.829 177.323 175.510 -0.028 0.000 1.016 108 N CA 1.354 54.369 53.050 -0.057 0.000 0.870 108 N CB 0.145 38.521 38.487 -0.186 0.000 0.979 108 N HN 0.741 nan 8.380 nan 0.000 0.431 109 D N 0.773 121.138 120.400 -0.058 0.000 2.149 109 D HA -0.029 4.609 4.640 -0.004 0.000 0.201 109 D C 1.688 177.967 176.300 -0.035 0.000 0.972 109 D CA 0.856 54.840 54.000 -0.026 0.000 0.835 109 D CB -0.543 40.244 40.800 -0.021 0.000 0.966 109 D HN 0.102 nan 8.370 nan 0.000 0.476 110 A N 0.510 123.291 122.820 -0.065 0.000 1.933 110 A HA -0.130 4.188 4.320 -0.004 0.000 0.218 110 A C 2.509 180.033 177.584 -0.100 0.000 1.175 110 A CA 1.381 53.362 52.037 -0.094 0.000 0.628 110 A CB -1.079 17.851 19.000 -0.116 0.000 0.814 110 A HN 0.444 nan 8.150 nan 0.000 0.444 111 C N -0.699 118.553 119.300 -0.081 0.000 2.429 111 C HA -0.085 4.372 4.460 -0.004 0.000 0.277 111 C C 2.547 177.427 174.990 -0.183 0.000 1.262 111 C CA 0.993 59.933 59.018 -0.130 0.000 1.733 111 C CB -1.299 26.410 27.740 -0.051 0.000 2.010 111 C HN 0.631 nan 8.230 nan 0.000 0.483 112 I N 1.189 121.714 120.570 -0.074 0.000 2.286 112 I HA -0.144 4.023 4.170 -0.004 0.000 0.245 112 I C 2.759 178.830 176.117 -0.076 0.000 1.104 112 I CA 1.477 62.738 61.300 -0.065 0.000 1.397 112 I CB -0.554 37.463 38.000 0.029 0.000 1.072 112 I HN 0.256 nan 8.210 nan 0.000 0.417 113 A N 0.550 123.337 122.820 -0.055 0.000 1.930 113 A HA -0.177 4.141 4.320 -0.004 0.000 0.217 113 A C 2.196 179.755 177.584 -0.043 0.000 1.175 113 A CA 1.325 53.339 52.037 -0.038 0.000 0.627 113 A CB -0.626 18.348 19.000 -0.043 0.000 0.815 113 A HN 0.320 nan 8.150 nan 0.000 0.443 114 L N -0.467 120.698 121.223 -0.096 0.000 2.109 114 L HA 0.020 4.357 4.340 -0.004 0.000 0.207 114 L C 2.767 179.544 176.870 -0.156 0.000 1.086 114 L CA 1.715 56.507 54.840 -0.080 0.000 0.760 114 L CB -1.120 40.866 42.059 -0.121 0.000 0.910 114 L HN 0.382 nan 8.230 nan 0.000 0.437 115 A N -0.615 121.966 122.820 -0.399 0.000 1.851 115 A HA -0.242 4.075 4.320 -0.004 0.000 0.216 115 A C 2.001 179.517 177.584 -0.115 0.000 1.195 115 A CA 1.903 53.565 52.037 -0.625 0.000 0.622 115 A CB -0.905 17.667 19.000 -0.713 0.000 0.831 115 A HN 0.439 nan 8.150 nan 0.000 0.444 116 D N -1.682 118.691 120.400 -0.045 0.000 2.170 116 D HA -0.216 4.421 4.640 -0.004 0.000 0.193 116 D C 1.667 178.024 176.300 0.095 0.000 1.004 116 D CA 1.960 55.985 54.000 0.043 0.000 0.860 116 D CB -0.460 40.368 40.800 0.047 0.000 0.931 116 D HN 0.623 nan 8.370 nan 0.000 0.448 117 Y N 0.985 121.276 120.300 -0.014 0.000 2.184 117 Y HA -0.129 4.419 4.550 -0.004 0.000 0.290 117 Y C 2.217 178.143 175.900 0.044 0.000 1.129 117 Y CA 0.903 59.008 58.100 0.009 0.000 1.144 117 Y CB -0.370 38.085 38.460 -0.007 0.000 0.995 117 Y HN -0.181 nan 8.280 nan 0.000 0.513 118 V N -0.116 119.813 119.914 0.025 0.000 2.358 118 V HA -0.201 3.916 4.120 -0.004 0.000 0.246 118 V C 2.095 178.210 176.094 0.035 0.000 1.047 118 V CA 2.038 64.348 62.300 0.018 0.000 1.035 118 V CB -1.068 30.905 31.823 0.250 0.000 0.658 118 V HN 0.525 nan 8.190 nan 0.000 0.452 119 A N -2.257 120.638 122.820 0.125 0.000 2.551 119 A HA 0.546 4.864 4.320 -0.004 0.000 0.252 119 A C 1.690 179.316 177.584 0.070 0.000 1.199 119 A CA 1.034 53.140 52.037 0.114 0.000 0.972 119 A CB 0.719 19.845 19.000 0.210 0.000 1.153 119 A HN 1.001 nan 8.150 nan 0.000 0.559 120 G N -0.296 108.533 108.800 0.050 0.000 2.299 120 G HA2 -0.162 3.795 3.960 -0.004 0.000 0.237 120 G HA3 -0.162 3.795 3.960 -0.004 0.000 0.237 120 G C 0.476 175.407 174.900 0.051 0.000 1.027 120 G CA 0.735 45.857 45.100 0.037 0.000 0.619 120 G HN 2.106 nan 8.290 nan 0.000 0.513 121 S N -1.627 114.115 115.700 0.070 0.000 2.615 121 S HA 0.639 5.106 4.470 -0.004 0.000 0.269 121 S C 0.437 175.090 174.600 0.088 0.000 1.161 121 S CA 0.392 58.631 58.200 0.065 0.000 0.817 121 S CB 1.429 64.663 63.200 0.056 0.000 1.131 121 S HN 0.191 nan 8.310 nan 0.000 0.467 122 Q N 0.719 120.557 119.800 0.064 0.000 2.084 122 Q HA -0.157 4.181 4.340 -0.004 0.000 0.202 122 Q C 2.045 178.112 176.000 0.112 0.000 0.978 122 Q CA 1.992 57.835 55.803 0.067 0.000 0.844 122 Q CB -0.248 28.506 28.738 0.027 0.000 0.898 122 Q HN 0.919 nan 8.270 nan 0.000 0.426 123 E N 0.029 120.279 120.200 0.084 0.000 2.106 123 E HA -0.140 4.208 4.350 -0.004 0.000 0.192 123 E C 1.801 178.451 176.600 0.084 0.000 0.984 123 E CA 1.463 57.910 56.400 0.077 0.000 0.806 123 E CB -0.065 29.668 29.700 0.054 0.000 0.750 123 E HN 0.055 nan 8.360 nan 0.000 0.458 124 S N 0.265 116.018 115.700 0.088 0.000 2.383 124 S HA -0.098 4.369 4.470 -0.004 0.000 0.227 124 S C 1.460 176.117 174.600 0.094 0.000 1.026 124 S CA 1.057 59.301 58.200 0.074 0.000 0.981 124 S CB -0.476 62.762 63.200 0.063 0.000 0.818 124 S HN 0.383 nan 8.310 nan 0.000 0.472 125 F N 2.080 122.038 119.950 0.014 0.000 2.134 125 F HA -0.062 4.463 4.527 -0.004 0.000 0.299 125 F C 1.817 177.631 175.800 0.023 0.000 1.097 125 F CA 1.107 59.118 58.000 0.018 0.000 1.264 125 F CB -0.294 38.709 39.000 0.005 0.000 1.001 125 F HN 0.093 nan 8.300 nan 0.000 0.479 126 I N 0.033 120.711 120.570 0.181 0.000 2.286 126 I HA -0.243 3.925 4.170 -0.004 0.000 0.248 126 I C 2.779 178.922 176.117 0.044 0.000 1.115 126 I CA 1.394 62.760 61.300 0.109 0.000 1.392 126 I CB -1.271 36.801 38.000 0.121 0.000 1.065 126 I HN 0.271 nan 8.210 nan 0.000 0.418 127 G N 1.065 109.879 108.800 0.024 0.000 2.476 127 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.218 127 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.218 127 G C 1.553 176.424 174.900 -0.050 0.000 1.164 127 G CA 0.678 45.775 45.100 -0.005 0.000 0.768 127 G HN 0.161 nan 8.290 nan 0.000 0.560 128 L N 0.218 121.374 121.223 -0.113 0.000 2.046 128 L HA 0.044 4.381 4.340 -0.004 0.000 0.208 128 L C 3.063 179.900 176.870 -0.056 0.000 1.077 128 L CA 1.410 56.160 54.840 -0.151 0.000 0.747 128 L CB -0.848 41.057 42.059 -0.256 0.000 0.896 128 L HN 0.272 nan 8.230 nan 0.000 0.432 129 M N -0.981 118.550 119.600 -0.115 0.000 2.086 129 M HA -0.224 4.254 4.480 -0.004 0.000 0.261 129 M C 1.890 178.316 176.300 0.210 0.000 1.067 129 M CA 1.588 56.887 55.300 -0.001 0.000 1.116 129 M CB -0.487 32.049 32.600 -0.106 0.000 1.348 129 M HN 0.280 nan 8.290 nan 0.000 0.407 130 N N 0.307 119.120 118.700 0.187 0.000 2.244 130 N HA -0.069 4.669 4.740 -0.004 0.000 0.183 130 N C 1.779 177.323 175.510 0.057 0.000 1.016 130 N CA 1.492 54.633 53.050 0.151 0.000 0.866 130 N CB -0.562 37.984 38.487 0.099 0.000 0.980 130 N HN 0.457 nan 8.380 nan 0.000 0.430 131 G N 0.135 108.929 108.800 -0.009 0.000 2.421 131 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.216 131 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.216 131 G C 1.201 176.031 174.900 -0.117 0.000 1.171 131 G CA 0.520 45.555 45.100 -0.109 0.000 0.775 131 G HN 0.280 nan 8.290 nan 0.000 0.543 132 Y N 1.241 121.541 120.300 0.000 0.000 2.314 132 Y HA 0.168 4.715 4.550 -0.004 0.000 0.293 132 Y C 3.073 178.948 175.900 -0.042 0.000 1.129 132 Y CA 0.418 58.509 58.100 -0.015 0.000 1.201 132 Y CB -0.371 38.077 38.460 -0.020 0.000 0.999 132 Y HN 0.264 nan 8.280 nan 0.000 0.541 133 A N 0.315 123.234 122.820 0.166 0.000 1.908 133 A HA -0.291 4.026 4.320 -0.004 0.000 0.218 133 A C 2.217 179.820 177.584 0.031 0.000 1.181 133 A CA 2.216 54.316 52.037 0.106 0.000 0.627 133 A CB -0.624 18.450 19.000 0.124 0.000 0.818 133 A HN 0.429 nan 8.150 nan 0.000 0.445 134 K N -0.120 120.291 120.400 0.018 0.000 2.062 134 K HA -0.122 4.196 4.320 -0.004 0.000 0.205 134 K C 2.076 178.673 176.600 -0.005 0.000 1.051 134 K CA 1.769 58.051 56.287 -0.008 0.000 0.941 134 K CB -0.203 32.285 32.500 -0.020 0.000 0.719 134 K HN 0.339 nan 8.250 nan 0.000 0.440 135 K N 0.410 120.813 120.400 0.005 0.000 2.063 135 K HA -0.086 4.231 4.320 -0.004 0.000 0.208 135 K C 1.547 178.167 176.600 0.033 0.000 1.048 135 K CA 1.551 57.851 56.287 0.022 0.000 0.928 135 K CB -0.035 32.493 32.500 0.046 0.000 0.713 135 K HN 0.202 nan 8.250 nan 0.000 0.442 136 L N -0.514 120.725 121.223 0.026 0.000 2.591 136 L HA 0.202 4.540 4.340 -0.004 0.000 0.228 136 L C 0.887 177.743 176.870 -0.023 0.000 1.133 136 L CA 0.291 55.125 54.840 -0.010 0.000 0.880 136 L CB 0.211 42.230 42.059 -0.065 0.000 1.033 136 L HN 0.489 nan 8.230 nan 0.000 0.450 137 G N 0.692 109.480 108.800 -0.018 0.000 2.182 137 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.248 137 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.248 137 G C -0.127 174.752 174.900 -0.035 0.000 1.042 137 G CA -0.444 44.639 45.100 -0.027 0.000 0.775 137 G HN 0.106 nan 8.290 nan 0.000 0.501 138 L N 2.126 123.329 121.223 -0.034 0.000 2.384 138 L HA 0.322 4.660 4.340 -0.004 0.000 0.258 138 L C 2.134 178.967 176.870 -0.061 0.000 1.266 138 L CA 1.121 55.933 54.840 -0.046 0.000 1.162 138 L CB -0.218 41.816 42.059 -0.041 0.000 1.375 138 L HN 0.456 nan 8.230 nan 0.000 0.420 139 T N -3.193 111.326 114.554 -0.057 0.000 3.055 139 T HA -0.011 4.337 4.350 -0.004 0.000 0.265 139 T C 1.101 175.758 174.700 -0.070 0.000 1.111 139 T CA 0.620 62.685 62.100 -0.058 0.000 1.118 139 T CB -0.042 68.795 68.868 -0.052 0.000 0.909 139 T HN 0.348 nan 8.240 nan 0.000 0.501 140 N N 1.167 119.820 118.700 -0.079 0.000 2.338 140 N HA 0.199 4.937 4.740 -0.004 0.000 0.251 140 N C -0.871 174.579 175.510 -0.100 0.000 1.199 140 N CA -0.038 52.960 53.050 -0.087 0.000 0.879 140 N CB 1.253 39.690 38.487 -0.084 0.000 1.159 140 N HN 0.335 nan 8.380 nan 0.000 0.514 141 T N 0.572 115.042 114.554 -0.140 0.000 2.809 141 T HA 0.420 4.768 4.350 -0.004 0.000 0.284 141 T C -0.024 174.488 174.700 -0.313 0.000 0.992 141 T CA -0.511 61.434 62.100 -0.258 0.000 0.957 141 T CB 1.957 70.632 68.868 -0.323 0.000 0.942 141 T HN 0.149 nan 8.240 nan 0.000 0.439 142 T N 1.010 115.369 114.554 -0.325 0.000 2.879 142 T HA 0.723 5.070 4.350 -0.004 0.000 0.290 142 T C -0.884 173.615 174.700 -0.334 0.000 0.993 142 T CA -0.736 61.194 62.100 -0.283 0.000 0.975 142 T CB 0.401 69.227 68.868 -0.069 0.000 0.981 142 T HN 0.217 nan 8.240 nan 0.000 0.439 143 F N 2.308 122.278 119.950 0.034 0.000 2.385 143 F HA 0.499 5.024 4.527 -0.004 0.000 0.336 143 F C 1.556 177.365 175.800 0.016 0.000 1.100 143 F CA -0.754 57.259 58.000 0.022 0.000 1.116 143 F CB 1.611 40.629 39.000 0.029 0.000 1.166 143 F HN 0.496 nan 8.300 nan 0.000 0.511 144 Q N 0.680 120.590 119.800 0.184 0.000 2.164 144 Q HA 0.159 4.496 4.340 -0.004 0.000 0.226 144 Q C 0.045 176.083 176.000 0.063 0.000 0.813 144 Q CA 0.201 56.064 55.803 0.099 0.000 0.978 144 Q CB 1.091 29.862 28.738 0.055 0.000 1.149 144 Q HN 0.850 nan 8.270 nan 0.000 0.489 145 T N -3.434 111.149 114.554 0.048 0.000 2.841 145 T HA 0.392 4.739 4.350 -0.004 0.000 0.296 145 T C 0.739 175.330 174.700 -0.180 0.000 1.166 145 T CA -0.319 61.700 62.100 -0.135 0.000 1.007 145 T CB 1.462 70.205 68.868 -0.209 0.000 1.253 145 T HN -0.141 nan 8.240 nan 0.000 0.511 146 V N -0.407 119.259 119.914 -0.413 0.000 3.649 146 V HA 0.257 4.374 4.120 -0.004 0.000 0.275 146 V C 1.158 177.109 176.094 -0.239 0.000 1.281 146 V CA 1.487 63.643 62.300 -0.240 0.000 1.143 146 V CB -1.661 30.016 31.823 -0.242 0.000 0.892 146 V HN 1.074 nan 8.190 nan 0.000 0.441 147 H N -1.170 117.899 119.070 -0.001 0.000 3.400 147 H HA 0.588 5.142 4.556 -0.004 0.000 0.251 147 H C 1.645 176.978 175.328 0.008 0.000 1.040 147 H CA -0.188 55.852 56.048 -0.014 0.000 1.175 147 H CB 0.043 29.788 29.762 -0.028 0.000 1.487 147 H HN 0.541 nan 8.280 nan 0.000 0.505 148 G N 1.022 109.953 108.800 0.219 0.000 2.136 148 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.242 148 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.242 148 G C -0.079 174.934 174.900 0.189 0.000 0.989 148 G CA 0.194 45.406 45.100 0.187 0.000 0.682 148 G HN 0.367 nan 8.290 nan 0.000 0.522 149 L N 0.656 122.081 121.223 0.337 0.000 2.461 149 L HA 0.248 4.586 4.340 -0.004 0.000 0.272 149 L C 0.903 177.827 176.870 0.090 0.000 1.197 149 L CA -0.407 54.491 54.840 0.098 0.000 0.836 149 L CB 0.429 42.403 42.059 -0.142 0.000 1.105 149 L HN 0.140 nan 8.230 nan 0.000 0.477 150 D N 1.745 122.152 120.400 0.011 0.000 2.425 150 D HA 0.377 5.014 4.640 -0.004 0.000 0.247 150 D C -0.539 175.756 176.300 -0.009 0.000 1.147 150 D CA 0.318 54.307 54.000 -0.018 0.000 0.879 150 D CB 1.152 41.925 40.800 -0.044 0.000 1.179 150 D HN 0.584 nan 8.370 nan 0.000 0.456 151 A N 4.286 127.084 122.820 -0.037 0.000 2.547 151 A HA 0.466 4.783 4.320 -0.004 0.000 0.297 151 A C -2.109 175.432 177.584 -0.071 0.000 1.056 151 A CA -0.998 51.025 52.037 -0.025 0.000 0.688 151 A CB 1.632 20.642 19.000 0.018 0.000 1.282 151 A HN 0.271 nan 8.150 nan 0.000 0.400 152 P HA -0.110 nan 4.420 nan 0.000 0.213 152 P C 1.327 178.614 177.300 -0.022 0.000 1.170 152 P CA 2.212 65.297 63.100 -0.024 0.000 0.902 152 P CB 0.229 31.941 31.700 0.019 0.000 0.789 153 G N -0.773 108.041 108.800 0.023 0.000 3.424 153 G HA2 0.001 3.959 3.960 -0.004 0.000 0.263 153 G HA3 0.001 3.959 3.960 -0.004 0.000 0.263 153 G C 0.048 174.996 174.900 0.079 0.000 1.310 153 G CA -0.028 45.137 45.100 0.108 0.000 1.089 153 G HN 0.276 nan 8.290 nan 0.000 0.534 154 Q N 0.212 119.913 119.800 -0.165 0.000 2.348 154 Q HA 0.636 4.974 4.340 -0.004 0.000 0.265 154 Q C -1.530 174.140 176.000 -0.551 0.000 0.998 154 Q CA -0.613 55.062 55.803 -0.213 0.000 0.831 154 Q CB 0.965 29.616 28.738 -0.146 0.000 1.251 154 Q HN 0.160 nan 8.270 nan 0.000 0.456 155 F N 0.437 120.333 119.950 -0.090 0.000 2.631 155 F HA 0.558 5.082 4.527 -0.004 0.000 0.308 155 F C -0.005 175.695 175.800 -0.166 0.000 1.097 155 F CA -0.590 57.354 58.000 -0.093 0.000 0.952 155 F CB 2.440 41.391 39.000 -0.081 0.000 1.307 155 F HN 0.464 nan 8.300 nan 0.000 0.450 156 S N -0.351 115.394 115.700 0.076 0.000 2.903 156 S HA 0.877 5.344 4.470 -0.004 0.000 0.314 156 S C -1.014 173.604 174.600 0.030 0.000 1.177 156 S CA -0.043 58.151 58.200 -0.010 0.000 0.859 156 S CB 1.716 64.897 63.200 -0.033 0.000 1.265 156 S HN 0.893 nan 8.310 nan 0.000 0.584 157 T N -1.599 112.955 114.554 0.000 0.000 2.883 157 T HA 0.756 5.103 4.350 -0.004 0.000 0.296 157 T C 1.008 175.709 174.700 0.001 0.000 1.117 157 T CA -0.090 62.007 62.100 -0.004 0.000 1.006 157 T CB 0.982 69.828 68.868 -0.037 0.000 1.191 157 T HN 0.873 nan 8.240 nan 0.000 0.508 158 A N 0.874 123.690 122.820 -0.008 0.000 1.902 158 A HA -0.020 4.298 4.320 -0.004 0.000 0.217 158 A C 2.389 179.967 177.584 -0.010 0.000 1.181 158 A CA 1.806 53.844 52.037 0.003 0.000 0.623 158 A CB -0.929 18.064 19.000 -0.011 0.000 0.818 158 A HN 0.934 nan 8.150 nan 0.000 0.443 159 R N -0.424 120.052 120.500 -0.040 0.000 2.096 159 R HA -0.202 4.136 4.340 -0.004 0.000 0.240 159 R C 1.376 177.661 176.300 -0.025 0.000 1.139 159 R CA 2.070 58.146 56.100 -0.041 0.000 0.952 159 R CB -0.370 29.895 30.300 -0.059 0.000 0.854 159 R HN 0.448 nan 8.270 nan 0.000 0.436 160 D N -0.328 120.057 120.400 -0.024 0.000 2.178 160 D HA -0.128 4.509 4.640 -0.004 0.000 0.202 160 D C 1.822 178.126 176.300 0.008 0.000 0.974 160 D CA 0.884 54.872 54.000 -0.019 0.000 0.841 160 D CB 0.013 40.793 40.800 -0.034 0.000 0.953 160 D HN 0.210 nan 8.370 nan 0.000 0.478 161 M N 0.257 119.872 119.600 0.025 0.000 2.200 161 M HA 0.039 4.516 4.480 -0.004 0.000 0.265 161 M C 2.151 178.476 176.300 0.041 0.000 1.066 161 M CA 0.532 55.864 55.300 0.053 0.000 1.127 161 M CB -0.781 31.860 32.600 0.068 0.000 1.379 161 M HN -0.036 nan 8.290 nan 0.000 0.420 162 A N 0.470 123.307 122.820 0.029 0.000 1.858 162 A HA -0.154 4.163 4.320 -0.004 0.000 0.216 162 A C 2.054 179.646 177.584 0.013 0.000 1.190 162 A CA 1.250 53.302 52.037 0.025 0.000 0.617 162 A CB -0.845 18.166 19.000 0.019 0.000 0.827 162 A HN 0.341 nan 8.150 nan 0.000 0.443 163 L N -0.814 120.406 121.223 -0.005 0.000 1.997 163 L HA -0.210 4.127 4.340 -0.004 0.000 0.216 163 L C 2.490 179.345 176.870 -0.024 0.000 1.074 163 L CA 2.053 56.880 54.840 -0.021 0.000 0.763 163 L CB -1.318 40.721 42.059 -0.033 0.000 0.890 163 L HN 0.494 nan 8.230 nan 0.000 0.434 164 L N -0.336 120.874 121.223 -0.021 0.000 2.017 164 L HA -0.061 4.276 4.340 -0.004 0.000 0.208 164 L C 2.368 179.227 176.870 -0.018 0.000 1.073 164 L CA 2.182 56.993 54.840 -0.047 0.000 0.745 164 L CB -1.412 40.646 42.059 -0.001 0.000 0.894 164 L HN 0.265 nan 8.230 nan 0.000 0.432 165 G N -0.559 108.246 108.800 0.008 0.000 2.446 165 G HA2 -0.396 3.561 3.960 -0.004 0.000 0.217 165 G HA3 -0.396 3.561 3.960 -0.004 0.000 0.217 165 G C 1.696 176.588 174.900 -0.012 0.000 1.168 165 G CA 0.994 46.090 45.100 -0.007 0.000 0.771 165 G HN 0.513 nan 8.290 nan 0.000 0.551 166 K N 0.680 121.106 120.400 0.044 0.000 2.113 166 K HA -0.020 4.298 4.320 -0.004 0.000 0.208 166 K C 2.667 179.365 176.600 0.163 0.000 1.047 166 K CA 1.544 57.917 56.287 0.143 0.000 0.928 166 K CB -0.343 32.204 32.500 0.077 0.000 0.716 166 K HN 0.236 nan 8.250 nan 0.000 0.446 167 A N 1.052 123.927 122.820 0.092 0.000 1.929 167 A HA -0.084 4.233 4.320 -0.004 0.000 0.216 167 A C 2.040 179.803 177.584 0.298 0.000 1.176 167 A CA 1.089 53.226 52.037 0.167 0.000 0.628 167 A CB -0.550 18.472 19.000 0.037 0.000 0.816 167 A HN 0.382 nan 8.150 nan 0.000 0.444 168 L N 0.208 121.560 121.223 0.215 0.000 1.989 168 L HA -0.163 4.175 4.340 -0.004 0.000 0.211 168 L C 2.284 179.172 176.870 0.031 0.000 1.071 168 L CA 2.002 56.956 54.840 0.190 0.000 0.749 168 L CB -0.441 41.666 42.059 0.081 0.000 0.890 168 L HN 0.440 nan 8.230 nan 0.000 0.431 169 I N -1.029 119.445 120.570 -0.159 0.000 2.194 169 I HA -0.367 3.800 4.170 -0.004 0.000 0.246 169 I C 2.608 178.726 176.117 0.001 0.000 1.093 169 I CA 1.816 62.908 61.300 -0.345 0.000 1.355 169 I CB -0.632 36.985 38.000 -0.639 0.000 1.046 169 I HN 0.485 nan 8.210 nan 0.000 0.413 170 H N 0.663 119.804 119.070 0.118 0.000 2.355 170 H HA -0.089 4.465 4.556 -0.004 0.000 0.303 170 H C 1.489 176.874 175.328 0.094 0.000 1.061 170 H CA 1.566 57.721 56.048 0.179 0.000 1.368 170 H CB 0.226 30.094 29.762 0.177 0.000 1.412 170 H HN 0.257 nan 8.280 nan 0.000 0.523 171 D N 0.571 121.097 120.400 0.210 0.000 2.183 171 D HA -0.045 4.593 4.640 -0.004 0.000 0.205 171 D C 1.090 177.355 176.300 -0.059 0.000 0.962 171 D CA 1.087 55.152 54.000 0.108 0.000 0.849 171 D CB 0.358 41.261 40.800 0.171 0.000 0.978 171 D HN 0.330 nan 8.370 nan 0.000 0.488 172 V N -1.313 118.557 119.914 -0.073 0.000 2.454 172 V HA 0.306 4.424 4.120 -0.004 0.000 0.255 172 V C -2.157 173.932 176.094 -0.009 0.000 1.009 172 V CA -1.193 61.046 62.300 -0.101 0.000 1.149 172 V CB 1.276 32.964 31.823 -0.224 0.000 1.418 172 V HN -0.166 nan 8.190 nan 0.000 0.567 173 P HA -0.109 nan 4.420 nan 0.000 0.220 173 P C 1.255 178.605 177.300 0.082 0.000 1.148 173 P CA 1.346 64.484 63.100 0.063 0.000 0.803 173 P CB 0.568 32.276 31.700 0.014 0.000 0.782 174 E N -0.139 120.080 120.200 0.032 0.000 2.208 174 E HA -0.173 4.175 4.350 -0.004 0.000 0.193 174 E C 2.046 178.666 176.600 0.033 0.000 0.988 174 E CA 0.672 57.084 56.400 0.021 0.000 0.828 174 E CB -0.143 29.556 29.700 -0.001 0.000 0.763 174 E HN 0.246 nan 8.360 nan 0.000 0.478 175 E N 0.361 120.591 120.200 0.051 0.000 2.072 175 E HA -0.197 4.150 4.350 -0.004 0.000 0.190 175 E C 1.714 178.439 176.600 0.208 0.000 0.982 175 E CA 0.810 57.266 56.400 0.093 0.000 0.803 175 E CB -0.242 29.500 29.700 0.071 0.000 0.755 175 E HN 0.260 nan 8.360 nan 0.000 0.453 176 Y N 0.330 120.664 120.300 0.057 0.000 2.274 176 Y HA -0.081 4.466 4.550 -0.004 0.000 0.290 176 Y C 1.910 177.881 175.900 0.118 0.000 1.145 176 Y CA 1.405 59.527 58.100 0.037 0.000 1.203 176 Y CB -0.559 37.860 38.460 -0.069 0.000 0.984 176 Y HN 0.130 nan 8.280 nan 0.000 0.533 177 A N -0.070 122.714 122.820 -0.060 0.000 2.067 177 A HA -0.086 4.231 4.320 -0.004 0.000 0.219 177 A C 2.160 179.652 177.584 -0.154 0.000 1.158 177 A CA 1.472 53.422 52.037 -0.145 0.000 0.661 177 A CB -1.045 17.927 19.000 -0.047 0.000 0.801 177 A HN 0.549 nan 8.150 nan 0.000 0.452 178 I N -1.173 119.342 120.570 -0.092 0.000 2.830 178 I HA -0.174 3.993 4.170 -0.004 0.000 0.263 178 I C 1.841 177.822 176.117 -0.225 0.000 1.230 178 I CA 0.837 62.051 61.300 -0.144 0.000 1.480 178 I CB -0.397 37.514 38.000 -0.150 0.000 1.095 178 I HN 0.338 nan 8.210 nan 0.000 0.455 179 H N 0.518 119.416 119.070 -0.287 0.000 2.524 179 H HA -0.044 4.510 4.556 -0.004 0.000 0.282 179 H C 2.045 177.232 175.328 -0.236 0.000 1.016 179 H CA 0.887 56.785 56.048 -0.251 0.000 1.270 179 H CB -0.012 29.572 29.762 -0.298 0.000 1.394 179 H HN 0.153 nan 8.280 nan 0.000 0.568 180 K N 0.557 120.837 120.400 -0.200 0.000 2.288 180 K HA -0.037 4.280 4.320 -0.004 0.000 0.201 180 K C 0.006 176.495 176.600 -0.185 0.000 1.048 180 K CA 0.377 56.552 56.287 -0.187 0.000 0.956 180 K CB 0.266 32.653 32.500 -0.189 0.000 0.746 180 K HN 0.427 nan 8.250 nan 0.000 0.461 181 E N 0.682 120.785 120.200 -0.162 0.000 2.344 181 E HA 0.003 4.350 4.350 -0.004 0.000 0.270 181 E C 0.279 176.810 176.600 -0.116 0.000 1.021 181 E CA 0.051 56.372 56.400 -0.132 0.000 0.887 181 E CB 1.106 30.746 29.700 -0.099 0.000 0.997 181 E HN 0.064 nan 8.360 nan 0.000 0.429 182 K N 1.781 122.103 120.400 -0.130 0.000 2.323 182 K HA 0.060 4.378 4.320 -0.004 0.000 0.197 182 K C 0.083 176.768 176.600 0.142 0.000 1.043 182 K CA 0.621 56.839 56.287 -0.116 0.000 0.997 182 K CB 0.486 32.757 32.500 -0.381 0.000 0.807 182 K HN 0.408 nan 8.250 nan 0.000 0.497 183 E N -0.064 120.210 120.200 0.124 0.000 2.340 183 E HA 0.322 4.670 4.350 -0.004 0.000 0.273 183 E C -1.641 175.110 176.600 0.250 0.000 0.891 183 E CA -0.692 55.818 56.400 0.183 0.000 0.757 183 E CB 2.200 31.988 29.700 0.146 0.000 1.231 183 E HN -0.035 nan 8.360 nan 0.000 0.439 184 F N 0.569 120.557 119.950 0.063 0.000 2.588 184 F HA 0.408 4.933 4.527 -0.003 0.000 0.314 184 F C -1.196 174.660 175.800 0.094 0.000 1.134 184 F CA -0.296 57.741 58.000 0.061 0.000 0.961 184 F CB 1.895 40.918 39.000 0.038 0.000 1.239 184 F HN 0.170 nan 8.300 nan 0.000 0.448 185 T N 6.651 120.875 114.554 -0.550 0.000 2.792 185 T HA 0.527 4.875 4.350 -0.004 0.000 0.280 185 T C -1.713 172.635 174.700 -0.586 0.000 0.990 185 T CA -0.365 61.462 62.100 -0.455 0.000 0.960 185 T CB 1.169 69.937 68.868 -0.167 0.000 0.939 185 T HN 0.474 nan 8.240 nan 0.000 0.439 186 F N 2.750 122.345 119.950 -0.592 0.000 2.581 186 F HA 0.455 4.979 4.527 -0.005 0.000 0.311 186 F C 0.404 176.115 175.800 -0.147 0.000 1.113 186 F CA -0.801 56.986 58.000 -0.356 0.000 0.935 186 F CB 1.399 40.199 39.000 -0.333 0.000 1.232 186 F HN 0.761 nan 8.300 nan 0.000 0.445 187 N N 4.782 122.979 118.700 -0.839 0.000 2.740 187 N HA -0.286 4.451 4.740 -0.004 0.000 0.248 187 N C 0.245 175.600 175.510 -0.259 0.000 1.062 187 N CA 1.058 53.784 53.050 -0.540 0.000 0.704 187 N CB -0.368 37.885 38.487 -0.390 0.000 0.968 187 N HN 0.825 nan 8.380 nan 0.000 0.547 188 K N -3.345 116.920 120.400 -0.224 0.000 3.445 188 K HA -0.257 4.060 4.320 -0.004 0.000 0.316 188 K C -0.358 176.179 176.600 -0.104 0.000 1.278 188 K CA 1.693 57.895 56.287 -0.142 0.000 0.976 188 K CB -1.923 30.504 32.500 -0.122 0.000 1.238 188 K HN 0.491 nan 8.250 nan 0.000 0.430 189 I N 2.013 122.529 120.570 -0.090 0.000 2.304 189 I HA 0.207 4.374 4.170 -0.004 0.000 0.291 189 I C 0.630 176.729 176.117 -0.031 0.000 1.018 189 I CA -0.648 60.632 61.300 -0.033 0.000 1.260 189 I CB 1.091 39.107 38.000 0.026 0.000 1.390 189 I HN 0.141 nan 8.210 nan 0.000 0.475 190 R N 5.594 126.082 120.500 -0.020 0.000 2.357 190 R HA 0.439 4.777 4.340 -0.004 0.000 0.296 190 R C -0.847 175.480 176.300 0.045 0.000 1.052 190 R CA -0.332 55.761 56.100 -0.012 0.000 0.988 190 R CB 0.981 31.282 30.300 0.002 0.000 1.025 190 R HN 0.585 nan 8.270 nan 0.000 0.469 191 Q N 4.179 124.025 119.800 0.076 0.000 2.305 191 Q HA 0.423 4.761 4.340 -0.004 0.000 0.271 191 Q C -2.460 173.638 176.000 0.164 0.000 1.046 191 Q CA -2.064 53.814 55.803 0.125 0.000 0.798 191 Q CB 3.094 31.922 28.738 0.150 0.000 1.286 191 Q HN 0.452 nan 8.270 nan 0.000 0.435 192 P HA 0.027 nan 4.420 nan 0.000 0.281 192 P C -0.815 176.626 177.300 0.234 0.000 1.249 192 P CA -0.492 62.739 63.100 0.218 0.000 0.810 192 P CB 0.737 32.532 31.700 0.159 0.000 1.008 193 N N 2.079 120.957 118.700 0.295 0.000 2.447 193 N HA -0.031 4.707 4.740 -0.004 0.000 0.263 193 N C 1.050 176.757 175.510 0.327 0.000 1.226 193 N CA 0.295 53.503 53.050 0.263 0.000 0.906 193 N CB 0.258 38.861 38.487 0.195 0.000 1.060 193 N HN 0.286 nan 8.380 nan 0.000 0.468 194 R N 1.740 122.389 120.500 0.248 0.000 2.276 194 R HA -0.028 4.309 4.340 -0.004 0.000 0.203 194 R C 0.102 176.614 176.300 0.354 0.000 1.017 194 R CA 0.137 56.391 56.100 0.257 0.000 1.010 194 R CB -0.045 30.392 30.300 0.229 0.000 0.900 194 R HN 0.464 nan 8.270 nan 0.000 0.469 195 N N 1.776 120.696 118.700 0.368 0.000 2.406 195 N HA -0.037 4.700 4.740 -0.004 0.000 0.269 195 N C 0.559 176.237 175.510 0.281 0.000 1.210 195 N CA 0.142 53.439 53.050 0.411 0.000 0.966 195 N CB 0.468 39.151 38.487 0.326 0.000 1.293 195 N HN -0.067 nan 8.380 nan 0.000 0.491 196 R N 2.827 123.192 120.500 -0.225 0.000 2.189 196 R HA 0.007 4.344 4.340 -0.004 0.000 0.223 196 R C 1.358 177.639 176.300 -0.032 0.000 1.092 196 R CA 0.478 56.388 56.100 -0.316 0.000 0.989 196 R CB -0.387 29.258 30.300 -1.091 0.000 0.876 196 R HN 0.615 nan 8.270 nan 0.000 0.457 197 L N 0.562 121.770 121.223 -0.025 0.000 2.362 197 L HA -0.085 4.253 4.340 -0.004 0.000 0.219 197 L C 2.076 179.014 176.870 0.113 0.000 1.134 197 L CA 0.528 55.436 54.840 0.113 0.000 0.807 197 L CB -0.390 41.799 42.059 0.217 0.000 0.927 197 L HN 0.124 nan 8.230 nan 0.000 0.447 198 L N -1.416 119.864 121.223 0.094 0.000 2.265 198 L HA -0.214 4.123 4.340 -0.004 0.000 0.215 198 L C 1.973 178.713 176.870 -0.218 0.000 1.117 198 L CA 1.223 55.982 54.840 -0.135 0.000 0.782 198 L CB -0.375 41.449 42.059 -0.392 0.000 0.914 198 L HN 0.511 nan 8.230 nan 0.000 0.441 199 W N -0.649 120.625 121.300 -0.044 0.000 3.278 199 W HA 0.179 4.839 4.660 -0.001 0.000 0.308 199 W C 1.319 177.818 176.519 -0.035 0.000 1.253 199 W CA -0.340 56.979 57.345 -0.043 0.000 1.759 199 W CB 0.099 29.520 29.460 -0.064 0.000 1.093 199 W HN -0.015 nan 8.180 nan 0.000 0.648 200 S N 0.884 116.673 115.700 0.148 0.000 2.549 200 S HA 0.019 4.487 4.470 -0.004 0.000 0.286 200 S C 1.280 175.921 174.600 0.068 0.000 1.314 200 S CA 0.342 58.601 58.200 0.098 0.000 1.062 200 S CB 1.158 64.413 63.200 0.092 0.000 0.865 200 S HN 0.106 nan 8.310 nan 0.000 0.498 201 S N 4.130 119.865 115.700 0.059 0.000 2.478 201 S HA 0.037 4.505 4.470 -0.004 0.000 0.222 201 S C 1.277 175.894 174.600 0.028 0.000 1.008 201 S CA 0.333 58.556 58.200 0.038 0.000 0.928 201 S CB -0.322 62.898 63.200 0.035 0.000 0.781 201 S HN 0.859 nan 8.310 nan 0.000 0.518 202 N N 0.423 119.148 118.700 0.041 0.000 2.392 202 N HA 0.281 5.018 4.740 -0.004 0.000 0.177 202 N C -0.334 175.201 175.510 0.042 0.000 1.066 202 N CA 0.293 53.366 53.050 0.039 0.000 0.895 202 N CB 0.257 38.776 38.487 0.054 0.000 0.988 202 N HN 0.250 nan 8.380 nan 0.000 0.457 203 L N -0.172 121.084 121.223 0.056 0.000 2.354 203 L HA 0.299 4.636 4.340 -0.004 0.000 0.264 203 L C -0.475 176.415 176.870 0.033 0.000 1.008 203 L CA -0.782 54.096 54.840 0.063 0.000 0.819 203 L CB 2.283 44.429 42.059 0.145 0.000 1.339 203 L HN -0.022 nan 8.230 nan 0.000 0.420 204 N N 1.029 119.733 118.700 0.006 0.000 2.663 204 N HA 0.289 5.027 4.740 -0.004 0.000 0.250 204 N C -1.272 174.273 175.510 0.059 0.000 1.129 204 N CA -0.320 52.734 53.050 0.006 0.000 0.995 204 N CB 0.631 39.097 38.487 -0.034 0.000 1.324 204 N HN 0.230 nan 8.380 nan 0.000 0.512 205 V N 3.052 123.004 119.914 0.064 0.000 2.394 205 V HA 0.171 4.289 4.120 -0.004 0.000 0.282 205 V C 0.177 176.300 176.094 0.049 0.000 1.031 205 V CA -0.420 61.937 62.300 0.096 0.000 0.881 205 V CB 1.513 33.408 31.823 0.119 0.000 0.982 205 V HN 0.686 nan 8.190 nan 0.000 0.451 206 D N 2.111 122.557 120.400 0.077 0.000 2.563 206 D HA 0.422 5.059 4.640 -0.004 0.000 0.237 206 D C 0.256 176.554 176.300 -0.004 0.000 1.282 206 D CA 0.216 54.218 54.000 0.004 0.000 0.816 206 D CB 1.012 41.806 40.800 -0.011 0.000 1.066 206 D HN 0.679 nan 8.370 nan 0.000 0.501 207 G N -0.932 107.949 108.800 0.135 0.000 2.488 207 G HA2 0.442 4.399 3.960 -0.004 0.000 0.301 207 G HA3 0.442 4.399 3.960 -0.004 0.000 0.301 207 G C -0.508 174.527 174.900 0.224 0.000 1.339 207 G CA -0.192 45.020 45.100 0.187 0.000 0.803 207 G HN 0.078 nan 8.290 nan 0.000 0.482 208 M N -1.778 117.966 119.600 0.240 0.000 1.918 208 M HA 0.533 5.011 4.480 -0.004 0.000 0.192 208 M C -0.321 176.165 176.300 0.310 0.000 1.474 208 M CA 0.365 55.835 55.300 0.283 0.000 0.927 208 M CB 0.927 33.672 32.600 0.241 0.000 1.567 208 M HN 0.402 nan 8.290 nan 0.000 0.581 209 K N 0.999 121.544 120.400 0.241 0.000 2.569 209 K HA 0.343 4.660 4.320 -0.004 0.000 0.259 209 K C -1.134 175.573 176.600 0.179 0.000 0.932 209 K CA -0.352 56.066 56.287 0.217 0.000 0.833 209 K CB 1.779 34.405 32.500 0.211 0.000 1.340 209 K HN 0.306 nan 8.250 nan 0.000 0.429 210 T N -0.306 114.352 114.554 0.174 0.000 2.944 210 T HA 0.918 5.265 4.350 -0.004 0.000 0.284 210 T C 0.163 174.924 174.700 0.102 0.000 1.010 210 T CA -0.506 61.679 62.100 0.142 0.000 1.025 210 T CB 1.712 70.700 68.868 0.199 0.000 1.079 210 T HN 0.682 nan 8.240 nan 0.000 0.516 211 G N -0.100 108.740 108.800 0.066 0.000 2.667 211 G HA2 0.552 4.509 3.960 -0.004 0.000 0.294 211 G HA3 0.552 4.509 3.960 -0.004 0.000 0.294 211 G C -1.362 173.515 174.900 -0.038 0.000 1.467 211 G CA -0.821 44.296 45.100 0.028 0.000 0.852 211 G HN 0.821 nan 8.290 nan 0.000 0.521 212 T N 1.209 115.700 114.554 -0.105 0.000 2.881 212 T HA 0.601 4.948 4.350 -0.004 0.000 0.291 212 T C 0.598 175.183 174.700 -0.192 0.000 0.990 212 T CA -0.251 61.688 62.100 -0.268 0.000 0.976 212 T CB 1.290 69.898 68.868 -0.433 0.000 0.970 212 T HN 1.012 nan 8.240 nan 0.000 0.438 213 T N 0.534 114.983 114.554 -0.175 0.000 2.813 213 T HA 0.447 4.794 4.350 -0.004 0.000 0.297 213 T C 1.809 176.438 174.700 -0.119 0.000 1.036 213 T CA -0.207 61.825 62.100 -0.113 0.000 1.044 213 T CB 0.725 69.546 68.868 -0.078 0.000 0.993 213 T HN 0.573 nan 8.240 nan 0.000 0.535 214 A N 1.251 124.021 122.820 -0.083 0.000 2.076 214 A HA 0.145 4.462 4.320 -0.004 0.000 0.220 214 A C 2.343 179.893 177.584 -0.057 0.000 1.160 214 A CA 1.435 53.431 52.037 -0.068 0.000 0.653 214 A CB -1.433 17.535 19.000 -0.053 0.000 0.801 214 A HN 1.145 nan 8.150 nan 0.000 0.455 215 G N -1.918 106.851 108.800 -0.053 0.000 2.776 215 G HA2 0.304 4.262 3.960 -0.004 0.000 0.209 215 G HA3 0.304 4.262 3.960 -0.004 0.000 0.209 215 G C 0.942 175.820 174.900 -0.038 0.000 1.145 215 G CA 0.603 45.685 45.100 -0.031 0.000 0.791 215 G HN 1.619 nan 8.290 nan 0.000 0.530 216 A N -1.578 121.189 122.820 -0.089 0.000 2.832 216 A HA -0.007 4.310 4.320 -0.004 0.000 0.280 216 A C 1.192 178.702 177.584 -0.123 0.000 1.464 216 A CA 1.019 52.970 52.037 -0.143 0.000 0.804 216 A CB -1.697 17.287 19.000 -0.025 0.000 1.020 216 A HN 1.560 nan 8.150 nan 0.000 0.563 217 G N -1.128 107.604 108.800 -0.113 0.000 2.370 217 G HA2 0.477 4.435 3.960 -0.004 0.000 0.272 217 G HA3 0.477 4.435 3.960 -0.004 0.000 0.272 217 G C -0.442 174.372 174.900 -0.144 0.000 1.208 217 G CA -0.313 44.765 45.100 -0.036 0.000 0.856 217 G HN 0.431 nan 8.290 nan 0.000 0.500 218 Y N 2.018 122.307 120.300 -0.018 0.000 2.341 218 Y HA 0.282 4.829 4.550 -0.005 0.000 0.340 218 Y C 0.505 176.371 175.900 -0.057 0.000 0.997 218 Y CA -0.799 57.273 58.100 -0.048 0.000 1.149 218 Y CB 1.161 39.571 38.460 -0.082 0.000 1.171 218 Y HN 0.376 nan 8.280 nan 0.000 0.494 219 N N 3.715 122.449 118.700 0.057 0.000 2.430 219 N HA 0.576 5.314 4.740 -0.004 0.000 0.298 219 N C -1.401 174.115 175.510 0.009 0.000 1.130 219 N CA -0.669 52.404 53.050 0.038 0.000 0.894 219 N CB 2.218 40.731 38.487 0.043 0.000 1.209 219 N HN 0.570 nan 8.380 nan 0.000 0.503 220 L N 1.067 122.300 121.223 0.016 0.000 2.493 220 L HA 0.434 4.771 4.340 -0.004 0.000 0.265 220 L C -1.505 175.414 176.870 0.082 0.000 0.954 220 L CA -0.775 54.085 54.840 0.032 0.000 0.844 220 L CB 1.959 43.995 42.059 -0.038 0.000 1.302 220 L HN 0.162 nan 8.230 nan 0.000 0.405 221 V N 3.844 123.825 119.914 0.112 0.000 2.347 221 V HA 0.700 4.818 4.120 -0.004 0.000 0.280 221 V C 0.318 176.503 176.094 0.151 0.000 1.021 221 V CA -0.370 62.003 62.300 0.121 0.000 0.847 221 V CB 1.291 33.183 31.823 0.114 0.000 0.990 221 V HN 0.817 nan 8.190 nan 0.000 0.444 222 A N 3.857 126.766 122.820 0.148 0.000 2.356 222 A HA 0.912 5.230 4.320 -0.004 0.000 0.323 222 A C -0.306 177.370 177.584 0.153 0.000 1.119 222 A CA -0.556 51.585 52.037 0.173 0.000 0.790 222 A CB 2.019 21.129 19.000 0.184 0.000 1.273 222 A HN 0.701 nan 8.150 nan 0.000 0.452 223 S N -0.645 115.161 115.700 0.177 0.000 2.541 223 S HA 0.817 5.285 4.470 -0.004 0.000 0.280 223 S C -0.656 174.056 174.600 0.187 0.000 1.112 223 S CA 0.222 58.514 58.200 0.154 0.000 0.925 223 S CB 1.486 64.752 63.200 0.111 0.000 1.067 223 S HN 2.041 nan 8.310 nan 0.000 0.479 224 A N 2.024 124.971 122.820 0.213 0.000 2.556 224 A HA 0.906 5.224 4.320 -0.004 0.000 0.294 224 A C -0.493 177.310 177.584 0.366 0.000 1.091 224 A CA -0.693 51.516 52.037 0.286 0.000 0.704 224 A CB 1.589 20.831 19.000 0.403 0.000 1.300 224 A HN 1.004 nan 8.150 nan 0.000 0.406 225 T N -1.093 113.592 114.554 0.218 0.000 2.893 225 T HA 0.722 5.069 4.350 -0.004 0.000 0.291 225 T C -0.787 173.787 174.700 -0.211 0.000 1.028 225 T CA -0.558 61.609 62.100 0.113 0.000 0.995 225 T CB 1.774 70.668 68.868 0.043 0.000 1.051 225 T HN 0.649 nan 8.240 nan 0.000 0.470 226 Q N 1.354 120.951 119.800 -0.339 0.000 2.533 226 Q HA 0.475 4.812 4.340 -0.004 0.000 0.251 226 Q C 0.768 176.659 176.000 -0.180 0.000 0.966 226 Q CA 0.152 55.668 55.803 -0.478 0.000 0.714 226 Q CB 0.574 28.679 28.738 -1.054 0.000 1.284 226 Q HN 1.345 nan 8.270 nan 0.000 0.478 227 G N 3.592 112.325 108.800 -0.111 0.000 2.574 227 G HA2 -0.373 3.584 3.960 -0.004 0.000 0.301 227 G HA3 -0.373 3.584 3.960 -0.004 0.000 0.301 227 G C 0.409 175.307 174.900 -0.002 0.000 1.166 227 G CA 0.520 45.592 45.100 -0.047 0.000 0.971 227 G HN 0.668 nan 8.290 nan 0.000 0.542 228 D N 1.029 121.442 120.400 0.022 0.000 2.317 228 D HA 0.103 4.741 4.640 -0.004 0.000 0.211 228 D C 1.482 177.838 176.300 0.093 0.000 0.966 228 D CA 0.914 54.944 54.000 0.049 0.000 0.876 228 D CB 0.073 40.899 40.800 0.043 0.000 0.927 228 D HN 0.423 nan 8.370 nan 0.000 0.519 229 M N 0.742 120.416 119.600 0.123 0.000 2.238 229 M HA 0.245 4.722 4.480 -0.004 0.000 0.350 229 M C -0.595 175.881 176.300 0.294 0.000 1.138 229 M CA -0.537 54.890 55.300 0.212 0.000 1.040 229 M CB 1.746 34.509 32.600 0.272 0.000 1.639 229 M HN -0.338 nan 8.290 nan 0.000 0.451 230 R N 5.546 126.203 120.500 0.263 0.000 2.480 230 R HA 0.619 4.956 4.340 -0.004 0.000 0.306 230 R C -1.977 174.433 176.300 0.184 0.000 0.958 230 R CA -0.546 55.692 56.100 0.231 0.000 0.861 230 R CB 1.241 31.580 30.300 0.065 0.000 1.171 230 R HN 0.828 nan 8.270 nan 0.000 0.445 231 L N 5.156 126.451 121.223 0.120 0.000 2.331 231 L HA 0.554 4.891 4.340 -0.004 0.000 0.275 231 L C -0.222 176.672 176.870 0.040 0.000 1.022 231 L CA -1.070 53.755 54.840 -0.026 0.000 0.812 231 L CB 1.787 43.650 42.059 -0.327 0.000 1.257 231 L HN 0.491 nan 8.230 nan 0.000 0.435 232 I N 1.588 122.183 120.570 0.040 0.000 2.474 232 I HA 0.386 4.554 4.170 -0.004 0.000 0.294 232 I C -0.110 176.043 176.117 0.059 0.000 1.005 232 I CA -0.255 61.080 61.300 0.058 0.000 1.113 232 I CB 1.982 40.020 38.000 0.062 0.000 1.289 232 I HN 0.624 nan 8.210 nan 0.000 0.436 233 S N 5.299 121.048 115.700 0.082 0.000 2.526 233 S HA 0.841 5.309 4.470 -0.004 0.000 0.293 233 S C -0.957 173.706 174.600 0.104 0.000 1.092 233 S CA -0.615 57.643 58.200 0.096 0.000 0.980 233 S CB 2.316 65.578 63.200 0.103 0.000 1.048 233 S HN 0.280 nan 8.310 nan 0.000 0.483 234 V N 2.288 122.272 119.914 0.116 0.000 2.588 234 V HA 0.693 4.810 4.120 -0.004 0.000 0.304 234 V C -0.845 175.340 176.094 0.153 0.000 1.042 234 V CA -0.647 61.722 62.300 0.115 0.000 0.877 234 V CB 1.716 33.594 31.823 0.091 0.000 0.996 234 V HN 0.864 nan 8.190 nan 0.000 0.425 235 V N 5.748 125.737 119.914 0.124 0.000 2.577 235 V HA 0.565 4.683 4.120 -0.004 0.000 0.303 235 V C -1.074 175.084 176.094 0.107 0.000 1.042 235 V CA -0.498 61.884 62.300 0.136 0.000 0.872 235 V CB 1.916 33.779 31.823 0.066 0.000 0.998 235 V HN 0.582 nan 8.190 nan 0.000 0.423 236 L N 3.348 124.650 121.223 0.133 0.000 2.362 236 L HA 0.828 5.165 4.340 -0.004 0.000 0.275 236 L C 0.777 177.711 176.870 0.106 0.000 0.998 236 L CA 0.541 55.442 54.840 0.102 0.000 0.820 236 L CB 1.396 43.510 42.059 0.093 0.000 1.270 236 L HN 0.915 nan 8.230 nan 0.000 0.415 237 G N 2.864 111.717 108.800 0.088 0.000 2.295 237 G HA2 -0.092 3.866 3.960 -0.004 0.000 0.287 237 G HA3 -0.092 3.866 3.960 -0.004 0.000 0.287 237 G C 0.401 175.366 174.900 0.107 0.000 1.055 237 G CA 0.259 45.414 45.100 0.091 0.000 0.922 237 G HN 1.024 nan 8.290 nan 0.000 0.503 238 A N -0.723 122.165 122.820 0.113 0.000 2.407 238 A HA 0.658 4.975 4.320 -0.004 0.000 0.248 238 A C 1.339 179.019 177.584 0.161 0.000 1.082 238 A CA 0.842 52.932 52.037 0.087 0.000 0.785 238 A CB 0.405 19.418 19.000 0.022 0.000 1.020 238 A HN 0.848 nan 8.150 nan 0.000 0.489 239 K N 0.604 121.058 120.400 0.089 0.000 2.365 239 K HA 0.085 4.402 4.320 -0.004 0.000 0.197 239 K C 0.629 177.267 176.600 0.063 0.000 1.042 239 K CA 1.119 57.484 56.287 0.130 0.000 0.987 239 K CB -0.263 32.278 32.500 0.069 0.000 0.779 239 K HN 0.706 nan 8.250 nan 0.000 0.484 240 T N -2.708 111.721 114.554 -0.208 0.000 2.906 240 T HA 0.245 4.593 4.350 -0.004 0.000 0.295 240 T C 0.314 174.444 174.700 -0.950 0.000 1.061 240 T CA -0.833 60.903 62.100 -0.606 0.000 1.000 240 T CB 1.862 70.561 68.868 -0.280 0.000 1.103 240 T HN -0.018 nan 8.240 nan 0.000 0.486 241 D N 0.623 120.290 120.400 -1.221 0.000 2.133 241 D HA -0.188 4.449 4.640 -0.004 0.000 0.192 241 D C 2.048 178.239 176.300 -0.182 0.000 1.001 241 D CA 1.622 55.260 54.000 -0.604 0.000 0.844 241 D CB 0.110 40.790 40.800 -0.200 0.000 0.944 241 D HN 0.535 nan 8.370 nan 0.000 0.447 242 R N -0.367 120.069 120.500 -0.107 0.000 2.090 242 R HA 0.139 4.477 4.340 -0.004 0.000 0.228 242 R C 2.337 178.647 176.300 0.015 0.000 1.110 242 R CA 0.767 56.895 56.100 0.046 0.000 0.973 242 R CB -0.383 29.919 30.300 0.003 0.000 0.869 242 R HN 0.318 nan 8.270 nan 0.000 0.440 243 I N 0.749 121.269 120.570 -0.083 0.000 2.226 243 I HA -0.304 3.864 4.170 -0.004 0.000 0.245 243 I C 2.573 178.635 176.117 -0.093 0.000 1.100 243 I CA 1.444 62.698 61.300 -0.077 0.000 1.374 243 I CB -0.407 37.538 38.000 -0.091 0.000 1.057 243 I HN 0.214 nan 8.210 nan 0.000 0.413 244 R N 1.439 121.832 120.500 -0.179 0.000 2.096 244 R HA -0.239 4.098 4.340 -0.004 0.000 0.240 244 R C 2.189 178.326 176.300 -0.272 0.000 1.139 244 R CA 2.178 58.126 56.100 -0.254 0.000 0.952 244 R CB -0.712 29.359 30.300 -0.382 0.000 0.854 244 R HN 0.210 nan 8.270 nan 0.000 0.436 245 F N 1.424 121.386 119.950 0.020 0.000 2.149 245 F HA 0.015 4.540 4.527 -0.004 0.000 0.294 245 F C 2.297 178.114 175.800 0.028 0.000 1.095 245 F CA 1.078 59.103 58.000 0.040 0.000 1.276 245 F CB -0.775 38.252 39.000 0.045 0.000 1.023 245 F HN 0.082 nan 8.300 nan 0.000 0.480 246 N N 0.328 119.133 118.700 0.174 0.000 2.104 246 N HA -0.154 4.583 4.740 -0.004 0.000 0.190 246 N C 1.761 177.299 175.510 0.047 0.000 1.024 246 N CA 1.335 54.443 53.050 0.096 0.000 0.853 246 N CB -0.372 38.144 38.487 0.049 0.000 1.008 246 N HN 0.203 nan 8.380 nan 0.000 0.424 247 E N 0.383 120.581 120.200 -0.002 0.000 2.072 247 E HA 0.010 4.358 4.350 -0.004 0.000 0.191 247 E C 2.011 178.594 176.600 -0.028 0.000 0.985 247 E CA 0.549 56.911 56.400 -0.063 0.000 0.801 247 E CB -0.400 29.222 29.700 -0.130 0.000 0.750 247 E HN 0.254 nan 8.360 nan 0.000 0.452 248 S N 1.281 116.997 115.700 0.027 0.000 2.370 248 S HA -0.219 4.248 4.470 -0.004 0.000 0.226 248 S C 1.987 176.654 174.600 0.112 0.000 1.033 248 S CA 1.572 59.819 58.200 0.078 0.000 1.011 248 S CB -0.203 63.069 63.200 0.120 0.000 0.852 248 S HN 0.362 nan 8.310 nan 0.000 0.457 249 E N 1.262 121.541 120.200 0.132 0.000 2.072 249 E HA -0.160 4.188 4.350 -0.004 0.000 0.191 249 E C 2.198 178.882 176.600 0.138 0.000 0.985 249 E CA 0.848 57.338 56.400 0.149 0.000 0.801 249 E CB -0.053 29.734 29.700 0.146 0.000 0.750 249 E HN 0.254 nan 8.360 nan 0.000 0.452 250 K N 0.602 121.060 120.400 0.096 0.000 2.044 250 K HA -0.199 4.119 4.320 -0.004 0.000 0.210 250 K C 2.238 178.922 176.600 0.140 0.000 1.049 250 K CA 1.352 57.694 56.287 0.092 0.000 0.927 250 K CB -0.259 32.244 32.500 0.005 0.000 0.713 250 K HN 0.239 nan 8.250 nan 0.000 0.443 251 L N 0.675 121.950 121.223 0.088 0.000 2.005 251 L HA -0.200 4.138 4.340 -0.004 0.000 0.207 251 L C 2.547 179.551 176.870 0.223 0.000 1.072 251 L CA 0.961 55.875 54.840 0.124 0.000 0.744 251 L CB -0.382 41.711 42.059 0.057 0.000 0.895 251 L HN 0.188 nan 8.230 nan 0.000 0.433 252 L N -0.871 120.444 121.223 0.153 0.000 2.042 252 L HA -0.247 4.091 4.340 -0.004 0.000 0.210 252 L C 2.578 179.540 176.870 0.153 0.000 1.076 252 L CA 1.695 56.587 54.840 0.088 0.000 0.749 252 L CB -0.933 41.222 42.059 0.160 0.000 0.893 252 L HN 0.300 nan 8.230 nan 0.000 0.432 253 T N -1.655 113.062 114.554 0.272 0.000 2.737 253 T HA -0.240 4.107 4.350 -0.004 0.000 0.265 253 T C 1.354 176.246 174.700 0.321 0.000 1.038 253 T CA 1.377 63.665 62.100 0.314 0.000 1.144 253 T CB -0.416 68.597 68.868 0.242 0.000 0.866 253 T HN 0.491 nan 8.240 nan 0.000 0.434 254 W N 2.047 123.450 121.300 0.173 0.000 2.338 254 W HA -0.097 4.561 4.660 -0.004 0.000 0.304 254 W C 2.413 179.133 176.519 0.335 0.000 1.212 254 W CA 1.388 58.902 57.345 0.282 0.000 1.264 254 W CB -0.846 28.769 29.460 0.259 0.000 1.142 254 W HN 0.262 nan 8.180 nan 0.000 0.512 255 G N -0.073 108.933 108.800 0.345 0.000 2.459 255 G HA2 -0.334 3.623 3.960 -0.004 0.000 0.217 255 G HA3 -0.334 3.623 3.960 -0.004 0.000 0.217 255 G C 1.337 176.238 174.900 0.001 0.000 1.183 255 G CA 1.264 46.421 45.100 0.094 0.000 0.776 255 G HN 0.274 nan 8.290 nan 0.000 0.552 256 F N 0.955 120.972 119.950 0.111 0.000 2.186 256 F HA 0.045 4.569 4.527 -0.005 0.000 0.299 256 F C 2.688 178.447 175.800 -0.069 0.000 1.090 256 F CA 1.274 59.297 58.000 0.038 0.000 1.307 256 F CB -0.506 38.513 39.000 0.032 0.000 1.019 256 F HN 0.123 nan 8.300 nan 0.000 0.489 257 R N -0.301 120.202 120.500 0.005 0.000 2.081 257 R HA -0.155 4.183 4.340 -0.004 0.000 0.235 257 R C 1.465 177.458 176.300 -0.511 0.000 1.131 257 R CA 1.933 57.844 56.100 -0.316 0.000 0.960 257 R CB -0.692 29.285 30.300 -0.539 0.000 0.856 257 R HN 0.204 nan 8.270 nan 0.000 0.436 258 F N -1.329 118.385 119.950 -0.392 0.000 2.721 258 F HA 0.382 4.906 4.527 -0.004 0.000 0.301 258 F C -0.297 174.948 175.800 -0.924 0.000 1.096 258 F CA -0.137 57.429 58.000 -0.723 0.000 1.308 258 F CB 0.567 38.876 39.000 -1.153 0.000 1.086 258 F HN -0.151 nan 8.300 nan 0.000 0.587 259 F N -0.168 119.731 119.950 -0.085 0.000 2.599 259 F HA 0.432 4.956 4.527 -0.004 0.000 0.311 259 F C -0.365 175.429 175.800 -0.011 0.000 1.076 259 F CA -1.278 56.687 58.000 -0.058 0.000 0.937 259 F CB 1.777 40.721 39.000 -0.092 0.000 1.282 259 F HN -0.173 nan 8.300 nan 0.000 0.460 260 E N -0.156 120.161 120.200 0.196 0.000 2.383 260 E HA 0.693 5.041 4.350 -0.004 0.000 0.275 260 E C -1.786 174.870 176.600 0.093 0.000 0.918 260 E CA -1.025 55.452 56.400 0.128 0.000 0.764 260 E CB 2.348 32.088 29.700 0.066 0.000 1.252 260 E HN 0.411 nan 8.360 nan 0.000 0.449 261 T N 1.247 115.843 114.554 0.069 0.000 2.797 261 T HA 0.535 4.883 4.350 -0.004 0.000 0.279 261 T C -0.452 174.245 174.700 -0.006 0.000 0.991 261 T CA -0.610 61.504 62.100 0.024 0.000 0.979 261 T CB 1.250 70.143 68.868 0.041 0.000 0.943 261 T HN 0.505 nan 8.240 nan 0.000 0.444 262 V N 0.636 120.514 119.914 -0.061 0.000 3.040 262 V HA 0.831 4.948 4.120 -0.004 0.000 0.312 262 V C -0.287 175.734 176.094 -0.121 0.000 1.115 262 V CA -0.966 61.288 62.300 -0.077 0.000 0.998 262 V CB 2.178 33.948 31.823 -0.089 0.000 1.042 262 V HN 0.783 nan 8.190 nan 0.000 0.433 263 T N 3.272 117.772 114.554 -0.089 0.000 3.331 263 T HA 0.393 4.741 4.350 -0.004 0.000 0.381 263 T C -1.802 172.855 174.700 -0.072 0.000 1.656 263 T CA -0.720 61.329 62.100 -0.086 0.000 1.453 263 T CB 1.023 69.870 68.868 -0.036 0.000 1.066 263 T HN 0.724 nan 8.240 nan 0.000 0.655 264 P HA 0.051 nan 4.420 nan 0.000 0.218 264 P C 0.180 177.463 177.300 -0.029 0.000 1.149 264 P CA 0.806 63.878 63.100 -0.047 0.000 0.817 264 P CB 0.293 31.983 31.700 -0.016 0.000 0.785 265 I N 0.232 120.790 120.570 -0.019 0.000 2.382 265 I HA 0.212 4.380 4.170 -0.004 0.000 0.285 265 I C 0.503 176.620 176.117 0.001 0.000 1.007 265 I CA -1.031 60.250 61.300 -0.032 0.000 1.142 265 I CB 1.551 39.493 38.000 -0.097 0.000 1.289 265 I HN -0.296 nan 8.210 nan 0.000 0.453 266 K N 6.090 126.495 120.400 0.009 0.000 2.202 266 K HA 0.393 4.710 4.320 -0.004 0.000 0.264 266 K C -2.471 174.144 176.600 0.026 0.000 1.010 266 K CA -1.736 54.561 56.287 0.016 0.000 0.940 266 K CB 0.372 32.883 32.500 0.018 0.000 0.983 266 K HN 0.159 nan 8.250 nan 0.000 0.475 267 P HA -0.004 nan 4.420 nan 0.000 0.265 267 P C -0.551 176.769 177.300 0.033 0.000 1.193 267 P CA 0.576 63.696 63.100 0.034 0.000 0.765 267 P CB 0.266 31.990 31.700 0.040 0.000 0.823 268 D N -0.803 119.618 120.400 0.034 0.000 2.911 268 D HA -0.189 4.449 4.640 -0.004 0.000 0.199 268 D C 0.108 176.426 176.300 0.031 0.000 1.041 268 D CA 1.742 55.760 54.000 0.031 0.000 1.013 268 D CB -1.454 39.363 40.800 0.027 0.000 1.093 268 D HN 0.546 nan 8.370 nan 0.000 0.431 269 A N 0.114 122.956 122.820 0.036 0.000 2.354 269 A HA 0.552 4.870 4.320 -0.004 0.000 0.269 269 A C 0.565 178.184 177.584 0.057 0.000 1.109 269 A CA 0.118 52.181 52.037 0.042 0.000 0.800 269 A CB 0.646 19.671 19.000 0.042 0.000 1.045 269 A HN 0.088 nan 8.150 nan 0.000 0.489 270 T N 3.005 117.591 114.554 0.054 0.000 2.779 270 T HA 0.174 4.522 4.350 -0.004 0.000 0.296 270 T C 0.790 175.568 174.700 0.131 0.000 0.938 270 T CA 0.198 62.334 62.100 0.060 0.000 1.119 270 T CB 0.033 68.913 68.868 0.021 0.000 0.891 270 T HN 0.560 nan 8.240 nan 0.000 0.526 271 F N 4.513 124.429 119.950 -0.057 0.000 2.123 271 F HA 0.214 4.739 4.527 -0.004 0.000 0.289 271 F C 0.757 176.472 175.800 -0.141 0.000 1.099 271 F CA 0.235 58.189 58.000 -0.078 0.000 1.234 271 F CB 0.452 39.403 39.000 -0.082 0.000 1.034 271 F HN 0.411 nan 8.300 nan 0.000 0.479 272 V N -0.658 119.044 119.914 -0.354 0.000 2.925 272 V HA 0.541 4.659 4.120 -0.004 0.000 0.311 272 V C -0.844 175.072 176.094 -0.298 0.000 1.104 272 V CA -0.516 61.474 62.300 -0.517 0.000 0.954 272 V CB 1.320 32.516 31.823 -1.045 0.000 1.022 272 V HN 0.059 nan 8.190 nan 0.000 0.427 273 T N 3.832 118.246 114.554 -0.233 0.000 2.794 273 T HA 0.674 5.022 4.350 -0.004 0.000 0.280 273 T C -0.607 173.996 174.700 -0.161 0.000 0.987 273 T CA -0.153 61.852 62.100 -0.158 0.000 0.993 273 T CB 1.349 70.153 68.868 -0.108 0.000 0.939 273 T HN 0.979 nan 8.240 nan 0.000 0.449 274 Q N 1.914 121.635 119.800 -0.132 0.000 2.375 274 Q HA 0.478 4.816 4.340 -0.004 0.000 0.271 274 Q C -0.504 175.436 176.000 -0.101 0.000 1.074 274 Q CA -0.970 54.770 55.803 -0.104 0.000 0.808 274 Q CB 1.489 30.177 28.738 -0.084 0.000 1.327 274 Q HN 0.617 nan 8.270 nan 0.000 0.441 275 R N 1.746 122.177 120.500 -0.115 0.000 2.538 275 R HA 0.345 4.683 4.340 -0.004 0.000 0.282 275 R C -1.168 175.025 176.300 -0.178 0.000 1.009 275 R CA 0.038 56.017 56.100 -0.202 0.000 1.063 275 R CB 0.368 30.501 30.300 -0.280 0.000 0.945 275 R HN 0.470 nan 8.270 nan 0.000 0.414 276 V N 6.217 125.996 119.914 -0.225 0.000 2.604 276 V HA 0.526 4.644 4.120 -0.004 0.000 0.305 276 V C -1.411 174.520 176.094 -0.271 0.000 1.043 276 V CA -0.881 61.335 62.300 -0.139 0.000 0.888 276 V CB 1.190 32.982 31.823 -0.051 0.000 0.995 276 V HN 0.831 nan 8.190 nan 0.000 0.429 277 W N 6.036 127.180 121.300 -0.259 0.000 2.438 277 W HA 0.685 5.343 4.660 -0.004 0.000 0.324 277 W C 0.001 176.294 176.519 -0.377 0.000 1.119 277 W CA -0.454 56.566 57.345 -0.542 0.000 1.221 277 W CB 0.700 29.559 29.460 -1.002 0.000 1.253 277 W HN 0.642 nan 8.180 nan 0.000 0.555 278 F N 0.126 120.206 119.950 0.216 0.000 3.018 278 F HA -0.152 4.373 4.527 -0.004 0.000 0.287 278 F C 0.699 176.546 175.800 0.079 0.000 0.813 278 F CA 0.284 58.367 58.000 0.138 0.000 1.209 278 F CB -1.863 37.222 39.000 0.141 0.000 1.321 278 F HN 0.411 nan 8.300 nan 0.000 0.477 279 G N 0.170 109.072 108.800 0.169 0.000 2.932 279 G HA2 0.525 4.483 3.960 -0.004 0.000 0.283 279 G HA3 0.525 4.483 3.960 -0.004 0.000 0.283 279 G C 0.379 175.315 174.900 0.061 0.000 1.336 279 G CA 0.038 45.198 45.100 0.100 0.000 1.056 279 G HN 0.135 nan 8.290 nan 0.000 0.522 280 D N -1.247 119.177 120.400 0.040 0.000 2.349 280 D HA 0.052 4.689 4.640 -0.004 0.000 0.224 280 D C 0.421 176.723 176.300 0.004 0.000 1.029 280 D CA 0.565 54.579 54.000 0.023 0.000 0.879 280 D CB 0.240 41.053 40.800 0.021 0.000 0.906 280 D HN 0.285 nan 8.370 nan 0.000 0.528 281 K N -0.884 119.512 120.400 -0.006 0.000 2.435 281 K HA 0.352 4.669 4.320 -0.004 0.000 0.251 281 K C 0.147 176.712 176.600 -0.058 0.000 0.954 281 K CA -0.664 55.606 56.287 -0.029 0.000 0.820 281 K CB 2.171 34.656 32.500 -0.026 0.000 1.292 281 K HN -0.206 nan 8.250 nan 0.000 0.436 282 S N 0.777 116.427 115.700 -0.084 0.000 2.486 282 S HA 0.060 4.528 4.470 -0.004 0.000 0.220 282 S C -0.143 174.359 174.600 -0.164 0.000 1.011 282 S CA 0.546 58.661 58.200 -0.141 0.000 0.921 282 S CB 0.285 63.402 63.200 -0.140 0.000 0.785 282 S HN 0.499 nan 8.310 nan 0.000 0.517 283 E N 0.858 120.989 120.200 -0.115 0.000 2.343 283 E HA 0.486 4.834 4.350 -0.004 0.000 0.270 283 E C -1.184 175.370 176.600 -0.077 0.000 0.895 283 E CA -0.858 55.476 56.400 -0.109 0.000 0.767 283 E CB 2.241 31.880 29.700 -0.101 0.000 1.248 283 E HN 0.183 nan 8.360 nan 0.000 0.440 284 V N -1.001 118.869 119.914 -0.073 0.000 2.680 284 V HA 0.474 4.591 4.120 -0.004 0.000 0.309 284 V C -0.254 175.801 176.094 -0.063 0.000 1.052 284 V CA -1.145 61.123 62.300 -0.054 0.000 0.908 284 V CB 1.313 33.113 31.823 -0.038 0.000 1.001 284 V HN 0.553 nan 8.190 nan 0.000 0.431 285 N N 3.472 122.143 118.700 -0.049 0.000 2.470 285 N HA 0.580 5.317 4.740 -0.004 0.000 0.268 285 N C -0.943 174.542 175.510 -0.041 0.000 1.136 285 N CA -0.373 52.648 53.050 -0.049 0.000 0.961 285 N CB 0.874 39.345 38.487 -0.026 0.000 1.067 285 N HN 0.615 nan 8.380 nan 0.000 0.468 286 L N 1.255 122.439 121.223 -0.065 0.000 2.346 286 L HA 0.764 5.102 4.340 -0.004 0.000 0.274 286 L C 0.767 177.649 176.870 0.020 0.000 1.007 286 L CA -0.780 54.035 54.840 -0.041 0.000 0.818 286 L CB 1.894 43.895 42.059 -0.097 0.000 1.284 286 L HN 0.569 nan 8.230 nan 0.000 0.424 287 G N 0.048 108.889 108.800 0.069 0.000 2.921 287 G HA2 0.591 4.549 3.960 -0.004 0.000 0.291 287 G HA3 0.591 4.549 3.960 -0.004 0.000 0.291 287 G C -0.193 174.776 174.900 0.116 0.000 1.370 287 G CA 0.186 45.357 45.100 0.119 0.000 0.847 287 G HN 0.617 nan 8.290 nan 0.000 0.532 288 A N -1.429 121.444 122.820 0.088 0.000 2.197 288 A HA 0.570 4.888 4.320 -0.004 0.000 0.210 288 A C 1.896 179.510 177.584 0.049 0.000 1.180 288 A CA 1.505 53.582 52.037 0.066 0.000 0.846 288 A CB -0.888 18.145 19.000 0.056 0.000 0.884 288 A HN 2.478 nan 8.150 nan 0.000 0.487 289 G N 0.338 109.165 108.800 0.045 0.000 2.629 289 G HA2 -0.385 3.572 3.960 -0.004 0.000 0.335 289 G HA3 -0.385 3.572 3.960 -0.004 0.000 0.335 289 G C 0.740 175.657 174.900 0.029 0.000 1.347 289 G CA 0.737 45.858 45.100 0.035 0.000 0.979 289 G HN 0.433 nan 8.290 nan 0.000 0.534 290 E N 0.826 121.037 120.200 0.018 0.000 2.427 290 E HA 0.223 4.570 4.350 -0.004 0.000 0.196 290 E C 2.037 178.630 176.600 -0.011 0.000 1.028 290 E CA 0.653 57.060 56.400 0.010 0.000 0.864 290 E CB -0.080 29.621 29.700 0.002 0.000 0.813 290 E HN 0.641 nan 8.360 nan 0.000 0.514 291 A N 0.235 123.055 122.820 -0.001 0.000 2.701 291 A HA 0.315 4.633 4.320 -0.004 0.000 0.297 291 A C 1.282 178.894 177.584 0.047 0.000 1.197 291 A CA -0.024 52.011 52.037 -0.004 0.000 0.963 291 A CB 0.270 19.266 19.000 -0.007 0.000 1.175 291 A HN 0.177 nan 8.150 nan 0.000 0.531 292 G N -0.392 108.437 108.800 0.049 0.000 3.088 292 G HA2 0.258 4.216 3.960 -0.004 0.000 0.212 292 G HA3 0.258 4.216 3.960 -0.004 0.000 0.212 292 G C 0.391 175.288 174.900 -0.005 0.000 1.173 292 G CA 0.200 45.355 45.100 0.092 0.000 0.779 292 G HN 0.397 nan 8.290 nan 0.000 0.540 293 S N -0.692 114.978 115.700 -0.051 0.000 2.562 293 S HA 0.511 4.979 4.470 -0.004 0.000 0.275 293 S C -0.490 173.997 174.600 -0.189 0.000 1.281 293 S CA -0.386 57.741 58.200 -0.123 0.000 1.045 293 S CB 2.231 65.384 63.200 -0.078 0.000 0.962 293 S HN 0.123 nan 8.310 nan 0.000 0.503 294 V N 3.295 123.036 119.914 -0.287 0.000 2.789 294 V HA 0.639 4.756 4.120 -0.004 0.000 0.311 294 V C -0.758 175.239 176.094 -0.161 0.000 1.073 294 V CA -0.359 61.768 62.300 -0.289 0.000 0.921 294 V CB 2.463 33.916 31.823 -0.617 0.000 1.009 294 V HN 0.875 nan 8.190 nan 0.000 0.426 295 T N 7.793 122.296 114.554 -0.086 0.000 2.771 295 T HA 0.680 5.027 4.350 -0.004 0.000 0.281 295 T C -0.292 174.442 174.700 0.058 0.000 0.982 295 T CA -0.096 61.995 62.100 -0.015 0.000 0.978 295 T CB 0.674 69.515 68.868 -0.046 0.000 0.930 295 T HN 0.787 nan 8.240 nan 0.000 0.447 296 I N 0.336 120.983 120.570 0.129 0.000 3.145 296 I HA 0.707 4.874 4.170 -0.004 0.000 0.313 296 I C -3.067 173.187 176.117 0.227 0.000 1.122 296 I CA -3.718 57.681 61.300 0.165 0.000 0.987 296 I CB 1.903 39.936 38.000 0.055 0.000 1.236 296 I HN 0.232 nan 8.210 nan 0.000 0.453 297 P HA 0.035 nan 4.420 nan 0.000 0.264 297 P C -0.824 176.415 177.300 -0.102 0.000 1.183 297 P CA 0.002 63.006 63.100 -0.160 0.000 0.763 297 P CB 0.354 31.978 31.700 -0.127 0.000 0.807 298 R N 2.952 123.354 120.500 -0.164 0.000 2.504 298 R HA 0.245 4.582 4.340 -0.004 0.000 0.291 298 R C 1.401 177.657 176.300 -0.073 0.000 0.974 298 R CA 1.743 57.785 56.100 -0.097 0.000 1.077 298 R CB -0.969 29.249 30.300 -0.136 0.000 0.926 298 R HN 0.827 nan 8.270 nan 0.000 0.407 299 G N 2.788 111.562 108.800 -0.044 0.000 2.194 299 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.236 299 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.236 299 G C 0.621 175.509 174.900 -0.021 0.000 0.987 299 G CA 0.099 45.179 45.100 -0.033 0.000 0.635 299 G HN 0.584 nan 8.290 nan 0.000 0.520 300 Q N -0.387 119.403 119.800 -0.018 0.000 2.360 300 Q HA 0.289 4.627 4.340 -0.004 0.000 0.202 300 Q C 2.435 178.435 176.000 0.000 0.000 0.915 300 Q CA 0.500 56.300 55.803 -0.005 0.000 0.943 300 Q CB 0.195 28.933 28.738 0.000 0.000 1.064 300 Q HN 0.602 nan 8.270 nan 0.000 0.511 301 L N 2.290 123.510 121.223 -0.005 0.000 2.081 301 L HA -0.208 4.129 4.340 -0.004 0.000 0.212 301 L C 2.135 179.007 176.870 0.002 0.000 1.080 301 L CA 1.945 56.781 54.840 -0.006 0.000 0.754 301 L CB -0.425 41.628 42.059 -0.010 0.000 0.893 301 L HN 0.108 nan 8.230 nan 0.000 0.433 302 K N -0.862 119.540 120.400 0.004 0.000 2.439 302 K HA -0.125 4.193 4.320 -0.004 0.000 0.197 302 K C 0.923 177.533 176.600 0.017 0.000 1.041 302 K CA 1.766 58.058 56.287 0.010 0.000 0.970 302 K CB -0.590 31.914 32.500 0.007 0.000 0.773 302 K HN 0.581 nan 8.250 nan 0.000 0.479 303 N N 0.562 119.274 118.700 0.019 0.000 2.254 303 N HA 0.049 4.787 4.740 -0.004 0.000 0.190 303 N C -0.405 175.129 175.510 0.041 0.000 1.107 303 N CA -0.462 52.605 53.050 0.028 0.000 0.869 303 N CB 0.308 38.809 38.487 0.025 0.000 0.983 303 N HN 0.007 nan 8.380 nan 0.000 0.487 304 L N 2.347 123.593 121.223 0.039 0.000 2.534 304 L HA 0.089 4.427 4.340 -0.004 0.000 0.271 304 L C -0.364 176.560 176.870 0.089 0.000 1.178 304 L CA 0.447 55.323 54.840 0.060 0.000 0.907 304 L CB 0.123 42.198 42.059 0.026 0.000 1.164 304 L HN -0.056 nan 8.230 nan 0.000 0.482 305 K N 4.867 125.340 120.400 0.122 0.000 2.328 305 K HA 0.864 5.182 4.320 -0.004 0.000 0.246 305 K C -1.100 175.610 176.600 0.184 0.000 0.955 305 K CA -0.738 55.627 56.287 0.129 0.000 0.817 305 K CB 1.958 34.511 32.500 0.090 0.000 1.208 305 K HN 0.635 nan 8.250 nan 0.000 0.432 306 A N 0.959 123.867 122.820 0.148 0.000 2.386 306 A HA 0.707 5.024 4.320 -0.004 0.000 0.311 306 A C -0.838 176.798 177.584 0.087 0.000 1.068 306 A CA -0.579 51.489 52.037 0.051 0.000 0.743 306 A CB 1.319 20.305 19.000 -0.023 0.000 1.258 306 A HN 0.564 nan 8.150 nan 0.000 0.429 307 S N -0.100 115.624 115.700 0.039 0.000 2.599 307 S HA 0.791 5.258 4.470 -0.004 0.000 0.294 307 S C -1.159 173.572 174.600 0.220 0.000 1.094 307 S CA -0.405 57.865 58.200 0.117 0.000 0.931 307 S CB 1.303 64.502 63.200 -0.002 0.000 1.093 307 S HN 0.903 nan 8.310 nan 0.000 0.488 308 Y N -1.038 119.319 120.300 0.095 0.000 2.562 308 Y HA 0.888 5.436 4.550 -0.004 0.000 0.343 308 Y C -0.590 175.301 175.900 -0.015 0.000 1.025 308 Y CA -0.827 57.302 58.100 0.048 0.000 1.082 308 Y CB 1.075 39.517 38.460 -0.031 0.000 1.264 308 Y HN 0.441 nan 8.280 nan 0.000 0.478 309 T N 3.763 118.318 114.554 0.001 0.000 2.971 309 T HA 0.478 4.826 4.350 -0.004 0.000 0.304 309 T C -0.962 173.765 174.700 0.046 0.000 1.038 309 T CA -0.634 61.417 62.100 -0.081 0.000 1.007 309 T CB 1.127 69.956 68.868 -0.065 0.000 1.055 309 T HN 0.678 nan 8.240 nan 0.000 0.451 310 L N 2.330 123.576 121.223 0.038 0.000 2.334 310 L HA 0.350 4.687 4.340 -0.004 0.000 0.277 310 L C 1.809 178.695 176.870 0.026 0.000 1.075 310 L CA -0.400 54.478 54.840 0.063 0.000 0.804 310 L CB 1.082 43.188 42.059 0.079 0.000 1.174 310 L HN 0.737 nan 8.230 nan 0.000 0.438 311 T N 0.188 114.758 114.554 0.027 0.000 2.643 311 T HA -0.103 4.244 4.350 -0.004 0.000 0.264 311 T C 0.442 175.148 174.700 0.010 0.000 1.045 311 T CA 1.124 63.232 62.100 0.014 0.000 1.155 311 T CB -0.138 68.739 68.868 0.016 0.000 0.863 311 T HN 0.540 nan 8.240 nan 0.000 0.420 312 E N 1.397 121.607 120.200 0.017 0.000 2.331 312 E HA 0.138 4.486 4.350 -0.004 0.000 0.272 312 E C -1.746 174.863 176.600 0.015 0.000 1.036 312 E CA -1.889 54.519 56.400 0.012 0.000 0.864 312 E CB 1.035 30.746 29.700 0.018 0.000 1.035 312 E HN 0.141 nan 8.360 nan 0.000 0.408 313 P HA -0.104 nan 4.420 nan 0.000 0.217 313 P C -0.277 177.037 177.300 0.024 0.000 1.151 313 P CA 1.150 64.252 63.100 0.002 0.000 0.828 313 P CB 0.425 32.113 31.700 -0.019 0.000 0.788 314 Q N -0.558 119.246 119.800 0.007 0.000 2.356 314 Q HA 0.408 4.746 4.340 -0.004 0.000 0.270 314 Q C -0.989 175.057 176.000 0.077 0.000 1.058 314 Q CA -0.951 54.887 55.803 0.059 0.000 0.802 314 Q CB 2.307 30.977 28.738 -0.113 0.000 1.303 314 Q HN -0.023 nan 8.270 nan 0.000 0.444 315 L N 2.105 123.436 121.223 0.179 0.000 2.312 315 L HA 0.491 4.829 4.340 -0.004 0.000 0.281 315 L C -0.097 176.875 176.870 0.171 0.000 1.070 315 L CA 0.287 55.206 54.840 0.130 0.000 0.805 315 L CB 1.404 43.516 42.059 0.089 0.000 1.174 315 L HN 0.753 nan 8.230 nan 0.000 0.434 316 T N 1.482 116.103 114.554 0.111 0.000 2.893 316 T HA 0.871 5.218 4.350 -0.004 0.000 0.291 316 T C -0.135 174.636 174.700 0.119 0.000 1.028 316 T CA -0.674 61.505 62.100 0.133 0.000 0.995 316 T CB 1.478 70.437 68.868 0.152 0.000 1.051 316 T HN 0.773 nan 8.240 nan 0.000 0.470 317 A N 3.108 126.013 122.820 0.142 0.000 2.386 317 A HA 0.673 4.991 4.320 -0.004 0.000 0.246 317 A C -1.976 175.672 177.584 0.106 0.000 1.089 317 A CA -1.143 50.962 52.037 0.112 0.000 0.790 317 A CB -0.730 18.341 19.000 0.120 0.000 1.042 317 A HN 0.790 nan 8.150 nan 0.000 0.497 318 P HA 0.577 nan 4.420 nan 0.000 0.281 318 P C -1.221 176.106 177.300 0.045 0.000 1.264 318 P CA -0.301 62.833 63.100 0.056 0.000 0.824 318 P CB 0.924 32.650 31.700 0.044 0.000 1.092 319 L N 1.053 122.297 121.223 0.035 0.000 2.409 319 L HA 0.437 4.775 4.340 -0.004 0.000 0.272 319 L C 0.052 176.935 176.870 0.022 0.000 0.980 319 L CA -0.823 54.034 54.840 0.028 0.000 0.826 319 L CB 2.158 44.231 42.059 0.024 0.000 1.268 319 L HN 0.282 nan 8.230 nan 0.000 0.407 320 K N 2.355 122.767 120.400 0.020 0.000 2.159 320 K HA 0.365 4.682 4.320 -0.004 0.000 0.266 320 K C -0.573 176.037 176.600 0.016 0.000 0.975 320 K CA -0.911 55.386 56.287 0.018 0.000 0.865 320 K CB 1.665 34.175 32.500 0.017 0.000 1.087 320 K HN 0.267 nan 8.250 nan 0.000 0.446 321 K N 1.339 121.748 120.400 0.015 0.000 2.441 321 K HA -0.160 4.157 4.320 -0.004 0.000 0.273 321 K C 0.692 177.302 176.600 0.018 0.000 1.090 321 K CA 1.536 57.832 56.287 0.016 0.000 1.158 321 K CB -0.519 31.990 32.500 0.016 0.000 0.847 321 K HN 0.875 nan 8.250 nan 0.000 0.483 322 G N 2.537 111.348 108.800 0.019 0.000 2.232 322 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.226 322 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.226 322 G C 0.012 174.923 174.900 0.018 0.000 0.996 322 G CA 0.186 45.297 45.100 0.019 0.000 0.626 322 G HN 0.666 nan 8.290 nan 0.000 0.509 323 Q N 0.999 120.810 119.800 0.018 0.000 2.337 323 Q HA 0.455 4.792 4.340 -0.004 0.000 0.270 323 Q C 0.630 176.641 176.000 0.020 0.000 1.002 323 Q CA 0.206 56.020 55.803 0.018 0.000 0.888 323 Q CB 1.208 29.957 28.738 0.019 0.000 1.222 323 Q HN 1.055 nan 8.270 nan 0.000 0.400 324 V N 3.990 123.915 119.914 0.020 0.000 2.465 324 V HA 0.433 4.551 4.120 -0.004 0.000 0.279 324 V C 0.141 176.249 176.094 0.024 0.000 1.045 324 V CA 0.097 62.410 62.300 0.023 0.000 0.938 324 V CB 1.365 33.200 31.823 0.021 0.000 0.986 324 V HN 0.770 nan 8.190 nan 0.000 0.467 325 V N 2.619 122.551 119.914 0.029 0.000 3.330 325 V HA 0.912 5.029 4.120 -0.004 0.000 0.309 325 V C 0.625 176.743 176.094 0.040 0.000 1.481 325 V CA 0.634 62.953 62.300 0.031 0.000 1.068 325 V CB -0.523 31.318 31.823 0.030 0.000 0.935 325 V HN 1.691 nan 8.190 nan 0.000 0.453 326 G N 0.659 109.485 108.800 0.043 0.000 2.367 326 G HA2 0.464 4.422 3.960 -0.004 0.000 0.272 326 G HA3 0.464 4.422 3.960 -0.004 0.000 0.272 326 G C -0.639 174.292 174.900 0.051 0.000 1.271 326 G CA 0.291 45.420 45.100 0.048 0.000 0.893 326 G HN 0.997 nan 8.290 nan 0.000 0.485 327 T N -1.275 113.314 114.554 0.057 0.000 2.861 327 T HA 0.731 5.078 4.350 -0.004 0.000 0.287 327 T C -0.354 174.384 174.700 0.063 0.000 1.003 327 T CA -0.585 61.540 62.100 0.041 0.000 0.977 327 T CB 1.523 70.399 68.868 0.013 0.000 0.996 327 T HN 0.652 nan 8.240 nan 0.000 0.448 328 I N 2.355 122.939 120.570 0.024 0.000 2.396 328 I HA 0.409 4.577 4.170 -0.004 0.000 0.292 328 I C -0.560 175.416 176.117 -0.234 0.000 0.999 328 I CA -0.557 60.700 61.300 -0.070 0.000 1.310 328 I CB 1.050 38.946 38.000 -0.173 0.000 1.404 328 I HN 0.719 nan 8.210 nan 0.000 0.496 329 D N 5.855 126.084 120.400 -0.286 0.000 2.593 329 D HA 0.432 5.069 4.640 -0.004 0.000 0.251 329 D C -1.059 175.037 176.300 -0.339 0.000 1.140 329 D CA -0.260 53.594 54.000 -0.244 0.000 0.855 329 D CB 1.376 42.126 40.800 -0.083 0.000 1.267 329 D HN 0.165 nan 8.370 nan 0.000 0.532 330 F N 1.719 121.682 119.950 0.020 0.000 2.408 330 F HA 0.452 4.976 4.527 -0.004 0.000 0.344 330 F C 0.773 176.584 175.800 0.019 0.000 1.112 330 F CA -0.529 57.478 58.000 0.012 0.000 1.096 330 F CB 1.124 40.123 39.000 -0.002 0.000 1.129 330 F HN 0.133 nan 8.300 nan 0.000 0.486 331 Q N 2.239 122.155 119.800 0.193 0.000 2.552 331 Q HA 0.844 5.181 4.340 -0.004 0.000 0.289 331 Q C -1.729 174.333 176.000 0.102 0.000 1.097 331 Q CA -1.176 54.698 55.803 0.118 0.000 0.812 331 Q CB 3.050 31.833 28.738 0.075 0.000 1.460 331 Q HN 0.570 nan 8.270 nan 0.000 0.452 332 L N 1.484 122.751 121.223 0.073 0.000 2.710 332 L HA 0.344 4.681 4.340 -0.004 0.000 0.262 332 L C -0.976 175.921 176.870 0.045 0.000 0.940 332 L CA 0.018 54.893 54.840 0.059 0.000 0.944 332 L CB 1.577 43.672 42.059 0.060 0.000 1.348 332 L HN 0.699 nan 8.230 nan 0.000 0.425 333 N N 2.320 121.042 118.700 0.037 0.000 2.717 333 N HA -0.234 4.503 4.740 -0.004 0.000 0.248 333 N C 0.357 175.884 175.510 0.028 0.000 1.099 333 N CA 1.537 54.605 53.050 0.029 0.000 0.843 333 N CB -0.505 37.997 38.487 0.026 0.000 1.155 333 N HN 0.983 nan 8.380 nan 0.000 0.580 334 G N -0.705 108.114 108.800 0.031 0.000 3.450 334 G HA2 0.407 4.364 3.960 -0.004 0.000 0.147 334 G HA3 0.407 4.364 3.960 -0.004 0.000 0.147 334 G C -0.930 173.987 174.900 0.028 0.000 1.269 334 G CA 0.526 45.643 45.100 0.028 0.000 1.388 334 G HN 0.221 nan 8.290 nan 0.000 0.731 335 K N 0.373 120.793 120.400 0.033 0.000 1.941 335 K HA 0.213 4.530 4.320 -0.004 0.000 0.382 335 K C -0.783 175.846 176.600 0.048 0.000 1.872 335 K CA 0.306 56.615 56.287 0.037 0.000 1.028 335 K CB -0.158 32.364 32.500 0.038 0.000 1.409 335 K HN 0.633 nan 8.250 nan 0.000 0.414 336 S N 2.677 118.403 115.700 0.043 0.000 2.549 336 S HA 0.323 4.790 4.470 -0.004 0.000 0.286 336 S C 1.090 175.728 174.600 0.064 0.000 1.314 336 S CA 0.283 58.515 58.200 0.053 0.000 1.062 336 S CB 0.178 63.399 63.200 0.036 0.000 0.865 336 S HN 0.540 nan 8.310 nan 0.000 0.498 337 I N 0.880 121.504 120.570 0.091 0.000 4.730 337 I HA 0.596 4.764 4.170 -0.004 0.000 0.332 337 I C 0.136 176.315 176.117 0.103 0.000 1.299 337 I CA -0.235 61.119 61.300 0.090 0.000 1.294 337 I CB 0.295 38.352 38.000 0.094 0.000 1.317 337 I HN 0.402 nan 8.210 nan 0.000 0.457 338 E N 1.198 121.486 120.200 0.147 0.000 2.392 338 E HA 0.494 4.841 4.350 -0.004 0.000 0.279 338 E C -1.619 175.070 176.600 0.148 0.000 0.964 338 E CA -0.626 55.874 56.400 0.166 0.000 0.777 338 E CB 2.907 32.752 29.700 0.242 0.000 1.249 338 E HN 0.182 nan 8.360 nan 0.000 0.449 339 Q N 1.899 121.759 119.800 0.099 0.000 2.305 339 Q HA 0.415 4.752 4.340 -0.004 0.000 0.271 339 Q C -1.305 174.725 176.000 0.050 0.000 1.046 339 Q CA -0.706 55.123 55.803 0.045 0.000 0.798 339 Q CB 1.569 30.320 28.738 0.023 0.000 1.286 339 Q HN 0.299 nan 8.270 nan 0.000 0.435 340 R N 2.526 123.041 120.500 0.026 0.000 2.867 340 R HA 0.601 4.938 4.340 -0.004 0.000 0.268 340 R C -2.719 173.594 176.300 0.022 0.000 1.014 340 R CA -2.212 53.911 56.100 0.038 0.000 0.946 340 R CB 0.966 31.315 30.300 0.080 0.000 1.208 340 R HN 0.511 nan 8.270 nan 0.000 0.477 341 P HA 0.111 nan 4.420 nan 0.000 0.276 341 P C -0.507 176.821 177.300 0.048 0.000 1.230 341 P CA -0.517 62.601 63.100 0.031 0.000 0.776 341 P CB 0.657 32.372 31.700 0.024 0.000 0.888 342 L N 5.599 126.858 121.223 0.060 0.000 2.281 342 L HA 0.408 4.745 4.340 -0.004 0.000 0.285 342 L C 0.032 176.934 176.870 0.054 0.000 1.074 342 L CA -0.372 54.517 54.840 0.081 0.000 0.817 342 L CB -0.414 41.706 42.059 0.102 0.000 1.168 342 L HN 0.312 nan 8.230 nan 0.000 0.434 343 I N 3.359 123.959 120.570 0.050 0.000 2.892 343 I HA 0.677 4.845 4.170 -0.004 0.000 0.306 343 I C -0.446 175.686 176.117 0.025 0.000 1.078 343 I CA -1.225 60.096 61.300 0.034 0.000 1.032 343 I CB 2.106 40.125 38.000 0.031 0.000 1.229 343 I HN 0.430 nan 8.210 nan 0.000 0.435 344 V N 5.217 125.142 119.914 0.018 0.000 2.583 344 V HA 0.275 4.393 4.120 -0.004 0.000 0.287 344 V C 0.456 176.557 176.094 0.013 0.000 1.051 344 V CA -0.310 61.996 62.300 0.010 0.000 1.010 344 V CB 1.393 33.221 31.823 0.008 0.000 0.988 344 V HN 0.906 nan 8.190 nan 0.000 0.478 345 M N 4.047 123.652 119.600 0.008 0.000 2.333 345 M HA 0.393 4.870 4.480 -0.004 0.000 0.257 345 M C 0.213 176.518 176.300 0.008 0.000 1.078 345 M CA 0.339 55.646 55.300 0.012 0.000 1.005 345 M CB -0.883 31.724 32.600 0.013 0.000 1.444 345 M HN 0.984 nan 8.290 nan 0.000 0.496 346 E N -0.199 120.003 120.200 0.004 0.000 2.363 346 E HA 0.370 4.717 4.350 -0.004 0.000 0.281 346 E C -1.309 175.294 176.600 0.004 0.000 0.953 346 E CA -0.668 55.734 56.400 0.003 0.000 0.778 346 E CB 0.750 30.449 29.700 -0.002 0.000 1.220 346 E HN 0.061 nan 8.360 nan 0.000 0.431 347 N N 0.618 119.322 118.700 0.007 0.000 2.454 347 N HA 0.236 4.973 4.740 -0.004 0.000 0.254 347 N C -1.042 174.473 175.510 0.008 0.000 1.228 347 N CA 0.111 53.167 53.050 0.010 0.000 0.900 347 N CB 0.865 39.358 38.487 0.011 0.000 1.089 347 N HN 0.207 nan 8.380 nan 0.000 0.449 348 V N 2.167 122.089 119.914 0.013 0.000 2.447 348 V HA 0.160 4.278 4.120 -0.004 0.000 0.292 348 V C -0.310 175.800 176.094 0.026 0.000 1.021 348 V CA -0.883 61.427 62.300 0.015 0.000 0.850 348 V CB 1.301 33.132 31.823 0.013 0.000 1.005 348 V HN 0.582 nan 8.190 nan 0.000 0.426 349 E N 2.612 122.827 120.200 0.026 0.000 2.404 349 E HA 0.194 4.541 4.350 -0.004 0.000 0.261 349 E C 0.257 176.887 176.600 0.049 0.000 1.074 349 E CA -0.219 56.201 56.400 0.033 0.000 0.917 349 E CB 0.881 30.597 29.700 0.027 0.000 0.965 349 E HN 0.645 nan 8.360 nan 0.000 0.433 350 E N 0.513 120.747 120.200 0.057 0.000 2.502 350 E HA 0.094 4.442 4.350 -0.004 0.000 0.261 350 E C 0.504 177.145 176.600 0.069 0.000 0.974 350 E CA 0.200 56.646 56.400 0.076 0.000 0.936 350 E CB 0.475 30.213 29.700 0.063 0.000 0.926 350 E HN 0.503 nan 8.360 nan 0.000 0.459 351 G N 1.586 110.442 108.800 0.094 0.000 2.580 351 G HA2 0.464 4.421 3.960 -0.004 0.000 0.278 351 G HA3 0.464 4.421 3.960 -0.004 0.000 0.278 351 G C 0.336 175.270 174.900 0.056 0.000 1.212 351 G CA -0.148 44.999 45.100 0.079 0.000 0.939 351 G HN 0.743 nan 8.290 nan 0.000 0.513 352 G N 0.000 108.827 108.800 0.045 0.000 5.446 352 G HA2 0.000 3.957 3.960 -0.004 0.000 0.244 352 G HA3 0.000 3.957 3.960 -0.004 0.000 0.244 352 G CA 0.000 45.117 45.100 0.029 0.000 0.502 352 G HN 0.000 nan 8.290 nan 0.000 0.925