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 1ofr_1_C DATA FIRST_RESID 20 DATA SEQUENCE EEDVRILGYD PLASPALLQV QIPATPTSLE TAKRGRREAI DIITGKDDRV DATA SEQUENCE LVIVGPCSIH DLEAAQEYAL RLKKLSDELK GDLSIIMRAY LEKPRXXVGW DATA SEQUENCE KGLINDPDVN NTFNINKGLQ SARQLFVNLT NIGLPIGSEM LDTISPQYLA DATA SEQUENCE DLVSFGAIGA RTTESQLHRE LASGLSFPVG FKNGTDGTLN VAVDACQAAA DATA SEQUENCE HSHHFMGVTK HGVAAITTTK GNEHCFVILR GGKKGTNYDA KSVAEAKAQL DATA SEQUENCE PAGSNGLMID YSHGNSNKDF RNQPKVNDVV CEQIANGENA ITGVMIESNI DATA SEQUENCE NEGNQGIPAE GKAGLKYGVS ITDACIGWET TEDVLRKLAA AVRQRREVNK DATA SEQUENCE K 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 20 E HA 0.000 nan 4.350 nan 0.000 0.291 20 E C 0.000 176.607 176.600 0.011 0.000 1.382 20 E CA 0.000 56.405 56.400 0.008 0.000 0.976 20 E CB 0.000 29.703 29.700 0.005 0.000 0.812 21 E N 1.958 122.167 120.200 0.016 0.000 2.293 21 E HA 0.249 4.599 4.350 0.000 0.000 0.270 21 E C -0.759 175.860 176.600 0.032 0.000 0.879 21 E CA -0.599 55.815 56.400 0.024 0.000 0.756 21 E CB 1.146 30.862 29.700 0.027 0.000 1.208 21 E HN 0.449 nan 8.360 nan 0.000 0.428 22 D N 1.459 121.881 120.400 0.037 0.000 2.981 22 D HA -0.159 4.481 4.640 0.000 0.000 0.223 22 D C 1.196 177.504 176.300 0.012 0.000 1.151 22 D CA 0.991 55.015 54.000 0.040 0.000 0.827 22 D CB -1.417 39.437 40.800 0.090 0.000 1.101 22 D HN 0.329 nan 8.370 nan 0.000 0.426 23 V N -2.254 117.662 119.914 0.004 0.000 2.759 23 V HA -0.089 4.031 4.120 0.000 0.000 0.256 23 V C 1.888 177.971 176.094 -0.018 0.000 1.080 23 V CA 1.205 63.502 62.300 -0.005 0.000 1.101 23 V CB -0.248 31.573 31.823 -0.003 0.000 0.698 23 V HN 0.154 nan 8.190 nan 0.000 0.477 24 R N 0.061 120.546 120.500 -0.025 0.000 2.468 24 R HA 0.411 4.751 4.340 0.000 0.000 0.280 24 R C -0.330 175.928 176.300 -0.069 0.000 0.963 24 R CA -0.229 55.846 56.100 -0.041 0.000 1.083 24 R CB 0.562 30.841 30.300 -0.034 0.000 1.200 24 R HN 0.366 nan 8.270 nan 0.000 0.541 25 I N 2.127 122.652 120.570 -0.075 0.000 2.330 25 I HA 0.095 4.265 4.170 0.000 0.000 0.286 25 I C 1.329 177.365 176.117 -0.135 0.000 1.025 25 I CA -0.259 60.956 61.300 -0.143 0.000 1.197 25 I CB 1.370 39.277 38.000 -0.155 0.000 1.358 25 I HN 0.064 nan 8.210 nan 0.000 0.467 26 L N 5.312 126.442 121.223 -0.155 0.000 2.376 26 L HA 0.177 4.517 4.340 0.000 0.000 0.219 26 L C 1.028 177.829 176.870 -0.115 0.000 1.133 26 L CA 0.307 55.076 54.840 -0.119 0.000 0.816 26 L CB -0.280 41.706 42.059 -0.122 0.000 0.933 26 L HN 0.836 nan 8.230 nan 0.000 0.449 27 G N -1.655 107.026 108.800 -0.197 0.000 2.350 27 G HA2 0.179 4.139 3.960 0.000 0.000 0.305 27 G HA3 0.179 4.139 3.960 0.000 0.000 0.305 27 G C -1.923 172.826 174.900 -0.252 0.000 1.479 27 G CA -0.897 44.128 45.100 -0.125 0.000 0.949 27 G HN -0.164 nan 8.290 nan 0.000 0.651 28 Y N 0.796 121.081 120.300 -0.026 0.000 2.352 28 Y HA 0.545 5.095 4.550 0.000 0.000 0.339 28 Y C 0.166 176.054 175.900 -0.019 0.000 0.992 28 Y CA -0.858 57.229 58.100 -0.022 0.000 1.100 28 Y CB 1.933 40.385 38.460 -0.014 0.000 1.192 28 Y HN 0.375 nan 8.280 nan 0.000 0.458 29 D N 4.376 124.841 120.400 0.107 0.000 2.181 29 D HA 0.297 4.938 4.640 0.000 0.000 0.248 29 D C -2.290 174.052 176.300 0.070 0.000 1.020 29 D CA -1.271 52.767 54.000 0.064 0.000 0.891 29 D CB 1.552 42.365 40.800 0.022 0.000 1.187 29 D HN 0.354 nan 8.370 nan 0.000 0.443 30 P HA 0.170 nan 4.420 nan 0.000 0.271 30 P C -0.861 176.465 177.300 0.043 0.000 1.216 30 P CA -0.471 62.655 63.100 0.044 0.000 0.776 30 P CB 0.896 32.613 31.700 0.030 0.000 0.881 31 L N 2.818 124.073 121.223 0.053 0.000 2.372 31 L HA 0.590 4.930 4.340 0.000 0.000 0.273 31 L C -0.135 176.791 176.870 0.094 0.000 0.989 31 L CA -0.804 54.075 54.840 0.064 0.000 0.841 31 L CB 1.243 43.347 42.059 0.076 0.000 1.225 31 L HN 0.567 nan 8.230 nan 0.000 0.414 32 A N 3.579 126.456 122.820 0.096 0.000 2.567 32 A HA 0.402 4.722 4.320 0.000 0.000 0.240 32 A C 0.697 178.413 177.584 0.219 0.000 1.053 32 A CA 0.649 52.759 52.037 0.122 0.000 0.755 32 A CB -0.349 18.719 19.000 0.114 0.000 0.978 32 A HN 0.990 nan 8.150 nan 0.000 0.507 33 S N 2.914 118.695 115.700 0.134 0.000 2.608 33 S HA 0.375 4.845 4.470 0.000 0.000 0.261 33 S C -1.798 172.756 174.600 -0.077 0.000 1.314 33 S CA -0.613 57.632 58.200 0.074 0.000 0.992 33 S CB 0.448 63.666 63.200 0.031 0.000 0.935 33 S HN 0.441 nan 8.310 nan 0.000 0.564 34 P HA -0.048 nan 4.420 nan 0.000 0.213 34 P C 1.777 178.942 177.300 -0.225 0.000 1.170 34 P CA 2.103 64.763 63.100 -0.732 0.000 0.898 34 P CB -0.397 30.866 31.700 -0.728 0.000 0.787 35 A N -0.749 122.002 122.820 -0.115 0.000 1.927 35 A HA -0.243 4.077 4.320 0.000 0.000 0.220 35 A C 2.204 179.803 177.584 0.024 0.000 1.185 35 A CA 1.965 53.994 52.037 -0.014 0.000 0.639 35 A CB -1.800 17.256 19.000 0.095 0.000 0.820 35 A HN 0.171 nan 8.150 nan 0.000 0.451 36 L N -1.000 120.246 121.223 0.038 0.000 2.017 36 L HA -0.088 4.252 4.340 0.000 0.000 0.208 36 L C 2.224 179.122 176.870 0.047 0.000 1.073 36 L CA 1.557 56.423 54.840 0.044 0.000 0.745 36 L CB -0.444 41.642 42.059 0.046 0.000 0.894 36 L HN 0.327 nan 8.230 nan 0.000 0.432 37 L N -0.338 120.924 121.223 0.065 0.000 2.046 37 L HA -0.219 4.121 4.340 0.000 0.000 0.208 37 L C 2.508 179.413 176.870 0.058 0.000 1.077 37 L CA 1.781 56.677 54.840 0.093 0.000 0.747 37 L CB -1.118 41.065 42.059 0.207 0.000 0.896 37 L HN 0.527 nan 8.230 nan 0.000 0.432 38 Q N -1.507 118.310 119.800 0.029 0.000 2.364 38 Q HA -0.137 4.203 4.340 0.000 0.000 0.209 38 Q C 2.042 178.057 176.000 0.025 0.000 0.977 38 Q CA 0.952 56.768 55.803 0.022 0.000 0.885 38 Q CB 0.105 28.840 28.738 -0.003 0.000 0.941 38 Q HN 0.391 nan 8.270 nan 0.000 0.464 39 V N 0.338 120.268 119.914 0.027 0.000 2.575 39 V HA -0.154 3.966 4.120 0.000 0.000 0.242 39 V C 1.964 178.075 176.094 0.028 0.000 1.045 39 V CA 1.132 63.448 62.300 0.026 0.000 1.065 39 V CB -0.180 31.659 31.823 0.027 0.000 0.717 39 V HN 0.298 nan 8.190 nan 0.000 0.467 40 Q N 0.041 119.860 119.800 0.032 0.000 2.170 40 Q HA 0.014 4.355 4.340 0.000 0.000 0.203 40 Q C 0.535 176.554 176.000 0.031 0.000 0.976 40 Q CA 1.177 56.999 55.803 0.031 0.000 0.858 40 Q CB 0.133 28.892 28.738 0.035 0.000 0.907 40 Q HN 0.506 nan 8.270 nan 0.000 0.433 41 I N 2.163 122.754 120.570 0.035 0.000 2.750 41 I HA 0.245 4.415 4.170 0.000 0.000 0.279 41 I C -2.366 173.775 176.117 0.039 0.000 1.206 41 I CA -2.107 59.215 61.300 0.036 0.000 1.101 41 I CB 1.278 39.301 38.000 0.038 0.000 1.431 41 I HN -0.107 nan 8.210 nan 0.000 0.551 42 P HA 0.148 nan 4.420 nan 0.000 0.272 42 P C -0.384 176.941 177.300 0.041 0.000 1.223 42 P CA -0.197 62.924 63.100 0.035 0.000 0.784 42 P CB 1.407 33.124 31.700 0.028 0.000 0.923 43 A N 2.334 125.180 122.820 0.044 0.000 2.289 43 A HA 0.471 4.792 4.320 0.000 0.000 0.298 43 A C 0.900 178.508 177.584 0.041 0.000 1.208 43 A CA -0.299 51.768 52.037 0.050 0.000 0.845 43 A CB -0.407 18.627 19.000 0.058 0.000 1.125 43 A HN 0.646 nan 8.150 nan 0.000 0.517 44 T N 1.009 115.587 114.554 0.040 0.000 2.856 44 T HA 0.282 4.632 4.350 0.000 0.000 0.306 44 T C -1.715 173.004 174.700 0.031 0.000 1.062 44 T CA -0.894 61.226 62.100 0.032 0.000 1.083 44 T CB 0.457 69.343 68.868 0.030 0.000 0.984 44 T HN 0.325 nan 8.240 nan 0.000 0.542 45 P HA -0.024 nan 4.420 nan 0.000 0.218 45 P C 1.548 178.863 177.300 0.025 0.000 1.148 45 P CA 0.953 64.068 63.100 0.024 0.000 0.822 45 P CB -0.128 31.584 31.700 0.020 0.000 0.784 46 T N -1.163 113.406 114.554 0.024 0.000 2.737 46 T HA -0.095 4.255 4.350 0.000 0.000 0.265 46 T C 1.973 176.689 174.700 0.028 0.000 1.038 46 T CA 1.652 63.766 62.100 0.023 0.000 1.144 46 T CB -0.882 67.999 68.868 0.021 0.000 0.866 46 T HN 0.081 nan 8.240 nan 0.000 0.434 47 S N 1.652 117.372 115.700 0.033 0.000 2.359 47 S HA -0.033 4.437 4.470 0.000 0.000 0.223 47 S C 2.040 176.665 174.600 0.043 0.000 1.039 47 S CA 1.080 59.304 58.200 0.040 0.000 1.042 47 S CB -0.580 62.652 63.200 0.052 0.000 0.915 47 S HN 0.368 nan 8.310 nan 0.000 0.439 48 L N 0.894 122.144 121.223 0.044 0.000 2.191 48 L HA -0.089 4.252 4.340 0.000 0.000 0.212 48 L C 2.641 179.536 176.870 0.042 0.000 1.103 48 L CA 1.021 55.889 54.840 0.047 0.000 0.769 48 L CB -0.452 41.632 42.059 0.043 0.000 0.908 48 L HN 0.240 nan 8.230 nan 0.000 0.438 49 E N 0.216 120.437 120.200 0.034 0.000 2.051 49 E HA -0.123 4.227 4.350 0.000 0.000 0.189 49 E C 2.101 178.719 176.600 0.029 0.000 0.979 49 E CA 1.579 57.997 56.400 0.030 0.000 0.803 49 E CB -0.202 29.513 29.700 0.024 0.000 0.761 49 E HN 0.221 nan 8.360 nan 0.000 0.451 50 T N 0.588 115.157 114.554 0.026 0.000 2.699 50 T HA -0.193 4.157 4.350 0.000 0.000 0.268 50 T C 1.801 176.514 174.700 0.023 0.000 1.036 50 T CA 1.743 63.856 62.100 0.020 0.000 1.147 50 T CB -0.525 68.352 68.868 0.015 0.000 0.862 50 T HN 0.328 nan 8.240 nan 0.000 0.446 51 A N 1.623 124.462 122.820 0.031 0.000 1.902 51 A HA -0.107 4.213 4.320 0.000 0.000 0.217 51 A C 2.286 179.905 177.584 0.058 0.000 1.181 51 A CA 1.364 53.424 52.037 0.038 0.000 0.623 51 A CB -0.354 18.678 19.000 0.054 0.000 0.818 51 A HN 0.410 nan 8.150 nan 0.000 0.443 52 K N -0.883 119.552 120.400 0.058 0.000 2.155 52 K HA -0.096 4.224 4.320 0.000 0.000 0.203 52 K C 2.330 178.963 176.600 0.054 0.000 1.052 52 K CA 1.110 57.436 56.287 0.065 0.000 0.948 52 K CB -0.135 32.398 32.500 0.055 0.000 0.728 52 K HN 0.477 nan 8.250 nan 0.000 0.448 53 R N 0.746 121.269 120.500 0.039 0.000 2.062 53 R HA -0.113 4.227 4.340 0.000 0.000 0.231 53 R C 2.381 178.698 176.300 0.028 0.000 1.136 53 R CA 1.690 57.808 56.100 0.029 0.000 0.948 53 R CB -0.598 29.713 30.300 0.019 0.000 0.845 53 R HN 0.250 nan 8.270 nan 0.000 0.430 54 G N 0.909 109.725 108.800 0.028 0.000 2.505 54 G HA2 -0.311 3.649 3.960 0.000 0.000 0.220 54 G HA3 -0.311 3.649 3.960 0.000 0.000 0.220 54 G C 1.417 176.346 174.900 0.049 0.000 1.145 54 G CA 1.006 46.122 45.100 0.026 0.000 0.761 54 G HN 0.369 nan 8.290 nan 0.000 0.571 55 R N -0.168 120.380 120.500 0.080 0.000 2.115 55 R HA 0.049 4.389 4.340 0.000 0.000 0.230 55 R C 2.780 179.128 176.300 0.080 0.000 1.111 55 R CA 0.916 57.090 56.100 0.122 0.000 0.976 55 R CB -0.262 30.140 30.300 0.171 0.000 0.870 55 R HN 0.302 nan 8.270 nan 0.000 0.445 56 R N 0.905 121.437 120.500 0.053 0.000 2.062 56 R HA -0.103 4.237 4.340 0.000 0.000 0.231 56 R C 2.171 178.468 176.300 -0.005 0.000 1.136 56 R CA 1.414 57.529 56.100 0.026 0.000 0.948 56 R CB -0.166 30.149 30.300 0.025 0.000 0.845 56 R HN 0.337 nan 8.270 nan 0.000 0.430 57 E N 0.558 120.755 120.200 -0.005 0.000 2.058 57 E HA -0.205 4.145 4.350 0.000 0.000 0.194 57 E C 2.073 178.644 176.600 -0.049 0.000 0.997 57 E CA 1.284 57.668 56.400 -0.026 0.000 0.801 57 E CB -0.165 29.521 29.700 -0.023 0.000 0.746 57 E HN 0.344 nan 8.360 nan 0.000 0.450 58 A N 1.228 124.028 122.820 -0.033 0.000 1.908 58 A HA -0.215 4.105 4.320 0.000 0.000 0.218 58 A C 2.191 179.720 177.584 -0.092 0.000 1.181 58 A CA 1.360 53.366 52.037 -0.053 0.000 0.627 58 A CB -0.702 18.320 19.000 0.037 0.000 0.818 58 A HN 0.170 nan 8.150 nan 0.000 0.445 59 I N -0.232 120.282 120.570 -0.092 0.000 2.226 59 I HA -0.231 3.939 4.170 0.000 0.000 0.245 59 I C 1.869 177.869 176.117 -0.194 0.000 1.100 59 I CA 1.468 62.629 61.300 -0.231 0.000 1.374 59 I CB -0.483 37.339 38.000 -0.296 0.000 1.057 59 I HN 0.279 nan 8.210 nan 0.000 0.413 60 D N 1.002 121.332 120.400 -0.117 0.000 2.117 60 D HA -0.132 4.508 4.640 0.000 0.000 0.197 60 D C 2.289 178.534 176.300 -0.092 0.000 0.987 60 D CA 1.375 55.323 54.000 -0.086 0.000 0.829 60 D CB -0.124 40.643 40.800 -0.055 0.000 0.961 60 D HN 0.346 nan 8.370 nan 0.000 0.460 61 I N 1.353 121.859 120.570 -0.107 0.000 2.179 61 I HA -0.216 3.954 4.170 0.000 0.000 0.242 61 I C 2.562 178.591 176.117 -0.148 0.000 1.088 61 I CA 0.858 62.087 61.300 -0.120 0.000 1.357 61 I CB -0.308 37.610 38.000 -0.137 0.000 1.051 61 I HN 0.014 nan 8.210 nan 0.000 0.409 62 I N -0.971 119.479 120.570 -0.201 0.000 2.830 62 I HA -0.136 4.034 4.170 0.000 0.000 0.263 62 I C 2.124 178.175 176.117 -0.110 0.000 1.230 62 I CA 1.515 62.681 61.300 -0.224 0.000 1.480 62 I CB -0.611 37.177 38.000 -0.354 0.000 1.095 62 I HN 0.190 nan 8.210 nan 0.000 0.455 63 T N -2.612 111.885 114.554 -0.094 0.000 3.086 63 T HA 0.472 4.822 4.350 0.000 0.000 0.250 63 T C 1.538 176.223 174.700 -0.025 0.000 1.074 63 T CA 0.305 62.380 62.100 -0.040 0.000 0.988 63 T CB 0.333 69.173 68.868 -0.046 0.000 0.988 63 T HN 0.702 nan 8.240 nan 0.000 0.530 64 G N 1.725 110.500 108.800 -0.040 0.000 2.175 64 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 64 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 64 G C 0.798 175.684 174.900 -0.024 0.000 0.982 64 G CA 0.318 45.402 45.100 -0.026 0.000 0.641 64 G HN 0.541 nan 8.290 nan 0.000 0.527 65 K N -0.202 120.180 120.400 -0.030 0.000 2.366 65 K HA 0.147 4.467 4.320 0.000 0.000 0.198 65 K C 0.378 176.963 176.600 -0.026 0.000 1.044 65 K CA 0.879 57.152 56.287 -0.023 0.000 0.973 65 K CB 0.192 32.679 32.500 -0.023 0.000 0.767 65 K HN 0.400 nan 8.250 nan 0.000 0.475 66 D N 0.109 120.487 120.400 -0.037 0.000 2.646 66 D HA 0.024 4.664 4.640 0.000 0.000 0.245 66 D C -0.547 175.730 176.300 -0.038 0.000 1.099 66 D CA -0.723 53.256 54.000 -0.036 0.000 0.849 66 D CB 1.615 42.390 40.800 -0.042 0.000 1.448 66 D HN 0.039 nan 8.370 nan 0.000 0.489 67 D N 1.244 121.626 120.400 -0.031 0.000 2.349 67 D HA 0.038 4.678 4.640 0.000 0.000 0.224 67 D C 0.422 176.701 176.300 -0.034 0.000 1.029 67 D CA 0.122 54.105 54.000 -0.029 0.000 0.879 67 D CB 0.257 41.044 40.800 -0.021 0.000 0.906 67 D HN 0.047 nan 8.370 nan 0.000 0.528 68 R N -0.103 120.372 120.500 -0.041 0.000 2.652 68 R HA 0.515 4.856 4.340 0.000 0.000 0.272 68 R C -0.636 175.628 176.300 -0.061 0.000 1.162 68 R CA -0.712 55.360 56.100 -0.046 0.000 1.199 68 R CB 1.055 31.328 30.300 -0.046 0.000 1.166 68 R HN -0.022 nan 8.270 nan 0.000 0.597 69 V N 2.143 122.018 119.914 -0.065 0.000 2.448 69 V HA 0.165 4.286 4.120 0.000 0.000 0.295 69 V C -0.593 175.437 176.094 -0.106 0.000 1.025 69 V CA -0.843 61.408 62.300 -0.082 0.000 0.859 69 V CB 1.636 33.420 31.823 -0.065 0.000 0.988 69 V HN 0.399 nan 8.190 nan 0.000 0.431 70 L N 7.004 128.139 121.223 -0.146 0.000 2.360 70 L HA 0.449 4.790 4.340 0.000 0.000 0.276 70 L C -0.289 176.467 176.870 -0.191 0.000 1.121 70 L CA 0.593 55.325 54.840 -0.180 0.000 0.845 70 L CB 1.104 43.012 42.059 -0.253 0.000 1.143 70 L HN 0.448 nan 8.230 nan 0.000 0.452 71 V N 7.171 126.982 119.914 -0.171 0.000 2.349 71 V HA 0.346 4.466 4.120 0.000 0.000 0.284 71 V C -0.167 175.826 176.094 -0.167 0.000 1.014 71 V CA -0.618 61.578 62.300 -0.172 0.000 0.826 71 V CB 1.412 33.161 31.823 -0.124 0.000 1.009 71 V HN 0.485 nan 8.190 nan 0.000 0.431 72 I N 5.919 126.362 120.570 -0.213 0.000 2.269 72 I HA 0.384 4.554 4.170 0.000 0.000 0.293 72 I C -0.035 176.030 176.117 -0.087 0.000 1.106 72 I CA -0.049 61.153 61.300 -0.164 0.000 1.248 72 I CB 0.974 38.834 38.000 -0.233 0.000 1.444 72 I HN 0.345 nan 8.210 nan 0.000 0.497 73 V N 5.827 125.728 119.914 -0.021 0.000 2.735 73 V HA 1.027 5.148 4.120 0.000 0.000 0.310 73 V C -0.049 176.104 176.094 0.098 0.000 1.061 73 V CA 0.119 62.433 62.300 0.025 0.000 0.913 73 V CB 1.806 33.661 31.823 0.055 0.000 1.005 73 V HN 0.967 nan 8.190 nan 0.000 0.428 74 G N 5.217 114.043 108.800 0.043 0.000 2.320 74 G HA2 0.340 4.300 3.960 0.000 0.000 0.297 74 G HA3 0.340 4.300 3.960 0.000 0.000 0.297 74 G C -3.516 171.259 174.900 -0.208 0.000 1.344 74 G CA -0.656 44.378 45.100 -0.110 0.000 0.851 74 G HN 0.661 nan 8.290 nan 0.000 0.567 75 P HA 0.106 nan 4.420 nan 0.000 0.270 75 P C 1.250 178.469 177.300 -0.135 0.000 1.216 75 P CA 0.094 63.056 63.100 -0.230 0.000 0.788 75 P CB 0.675 32.234 31.700 -0.235 0.000 0.883 76 C N 0.829 120.073 119.300 -0.093 0.000 2.435 76 C HA 0.041 4.501 4.460 0.000 0.000 0.279 76 C C 0.665 175.654 174.990 -0.001 0.000 1.321 76 C CA 1.536 60.515 59.018 -0.066 0.000 1.752 76 C CB -1.516 26.214 27.740 -0.018 0.000 1.959 76 C HN 0.735 nan 8.230 nan 0.000 0.500 77 S N 0.070 115.808 115.700 0.063 0.000 2.556 77 S HA 0.537 5.008 4.470 0.000 0.000 0.280 77 S C -1.266 173.460 174.600 0.211 0.000 1.141 77 S CA -0.814 57.515 58.200 0.216 0.000 0.883 77 S CB 0.436 63.863 63.200 0.378 0.000 1.103 77 S HN 0.187 nan 8.310 nan 0.000 0.453 78 I N 4.516 125.249 120.570 0.272 0.000 2.396 78 I HA 0.395 4.565 4.170 0.000 0.000 0.292 78 I C 1.203 177.543 176.117 0.372 0.000 0.999 78 I CA -0.258 61.178 61.300 0.226 0.000 1.310 78 I CB 0.584 38.678 38.000 0.156 0.000 1.404 78 I HN 1.113 nan 8.210 nan 0.000 0.496 79 H N 2.233 121.301 119.070 -0.003 0.000 3.680 79 H HA 0.265 4.821 4.556 0.000 0.000 0.260 79 H C -0.663 174.636 175.328 -0.048 0.000 1.183 79 H CA -0.249 55.782 56.048 -0.029 0.000 1.159 79 H CB 0.968 30.364 29.762 -0.610 0.000 1.567 79 H HN 0.527 nan 8.280 nan 0.000 0.648 80 D N 1.496 121.519 120.400 -0.629 0.000 2.440 80 D HA 0.160 4.801 4.640 0.000 0.000 0.252 80 D C 0.543 176.693 176.300 -0.251 0.000 1.180 80 D CA -0.523 53.168 54.000 -0.515 0.000 0.894 80 D CB 1.683 42.031 40.800 -0.754 0.000 1.111 80 D HN 0.017 nan 8.370 nan 0.000 0.544 81 L N 3.291 124.441 121.223 -0.121 0.000 2.265 81 L HA -0.069 4.271 4.340 0.000 0.000 0.215 81 L C 2.100 178.940 176.870 -0.051 0.000 1.117 81 L CA 1.172 55.982 54.840 -0.050 0.000 0.782 81 L CB -0.257 41.799 42.059 -0.005 0.000 0.914 81 L HN 0.412 nan 8.230 nan 0.000 0.441 82 E N -0.304 119.853 120.200 -0.072 0.000 2.016 82 E HA -0.092 4.258 4.350 0.000 0.000 0.190 82 E C 2.315 178.879 176.600 -0.060 0.000 0.985 82 E CA 1.361 57.753 56.400 -0.013 0.000 0.802 82 E CB -0.336 29.398 29.700 0.057 0.000 0.762 82 E HN 0.316 nan 8.360 nan 0.000 0.448 83 A N 0.724 123.361 122.820 -0.305 0.000 1.940 83 A HA -0.109 4.212 4.320 0.000 0.000 0.219 83 A C 2.361 179.800 177.584 -0.242 0.000 1.176 83 A CA 2.153 53.834 52.037 -0.594 0.000 0.631 83 A CB -0.936 17.504 19.000 -0.935 0.000 0.814 83 A HN 0.333 nan 8.150 nan 0.000 0.446 84 A N -1.251 121.466 122.820 -0.172 0.000 2.015 84 A HA -0.142 4.178 4.320 0.000 0.000 0.219 84 A C 2.108 179.694 177.584 0.004 0.000 1.163 84 A CA 1.995 53.983 52.037 -0.080 0.000 0.646 84 A CB -0.365 18.599 19.000 -0.060 0.000 0.806 84 A HN 0.524 nan 8.150 nan 0.000 0.448 85 Q N 0.013 119.813 119.800 -0.000 0.000 2.137 85 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 85 Q C 1.899 177.913 176.000 0.023 0.000 0.960 85 Q CA 1.913 57.730 55.803 0.023 0.000 0.847 85 Q CB -0.283 28.470 28.738 0.024 0.000 0.915 85 Q HN 0.767 nan 8.270 nan 0.000 0.448 86 E N -1.281 118.941 120.200 0.036 0.000 2.051 86 E HA -0.245 4.105 4.350 0.000 0.000 0.192 86 E C 1.751 178.317 176.600 -0.057 0.000 0.991 86 E CA 1.174 57.589 56.400 0.025 0.000 0.799 86 E CB -0.368 29.416 29.700 0.140 0.000 0.748 86 E HN 0.507 nan 8.360 nan 0.000 0.449 87 Y N 0.835 121.034 120.300 -0.169 0.000 2.128 87 Y HA -0.257 4.294 4.550 0.000 0.000 0.284 87 Y C 2.089 177.844 175.900 -0.242 0.000 1.154 87 Y CA 1.942 59.889 58.100 -0.254 0.000 1.149 87 Y CB -0.639 37.722 38.460 -0.164 0.000 0.976 87 Y HN 0.170 nan 8.280 nan 0.000 0.505 88 A N 0.265 123.155 122.820 0.117 0.000 1.908 88 A HA -0.178 4.143 4.320 0.000 0.000 0.218 88 A C 2.205 179.744 177.584 -0.076 0.000 1.181 88 A CA 1.750 53.821 52.037 0.058 0.000 0.627 88 A CB -1.005 18.034 19.000 0.065 0.000 0.818 88 A HN 0.487 nan 8.150 nan 0.000 0.445 89 L N -0.343 120.817 121.223 -0.106 0.000 1.994 89 L HA -0.169 4.171 4.340 0.000 0.000 0.208 89 L C 2.695 179.448 176.870 -0.195 0.000 1.071 89 L CA 2.023 56.792 54.840 -0.118 0.000 0.745 89 L CB -1.426 40.574 42.059 -0.099 0.000 0.892 89 L HN 0.467 nan 8.230 nan 0.000 0.431 90 R N -0.580 119.693 120.500 -0.378 0.000 2.082 90 R HA -0.223 4.118 4.340 0.000 0.000 0.234 90 R C 2.096 178.170 176.300 -0.377 0.000 1.136 90 R CA 1.317 57.089 56.100 -0.547 0.000 0.935 90 R CB -0.828 28.707 30.300 -1.275 0.000 0.842 90 R HN 0.163 nan 8.270 nan 0.000 0.430 91 L N 1.705 122.635 121.223 -0.488 0.000 2.187 91 L HA -0.187 4.153 4.340 0.000 0.000 0.213 91 L C 2.134 179.013 176.870 0.014 0.000 1.100 91 L CA 1.788 56.588 54.840 -0.066 0.000 0.765 91 L CB -0.392 41.630 42.059 -0.063 0.000 0.904 91 L HN -0.028 nan 8.230 nan 0.000 0.437 92 K N 0.033 120.408 120.400 -0.041 0.000 2.007 92 K HA -0.141 4.179 4.320 0.000 0.000 0.206 92 K C 2.040 178.643 176.600 0.005 0.000 1.047 92 K CA 1.722 58.004 56.287 -0.010 0.000 0.937 92 K CB -0.202 32.285 32.500 -0.022 0.000 0.718 92 K HN 0.283 nan 8.250 nan 0.000 0.438 93 K N 0.186 120.584 120.400 -0.004 0.000 2.020 93 K HA -0.164 4.156 4.320 0.000 0.000 0.212 93 K C 1.977 178.603 176.600 0.043 0.000 1.050 93 K CA 1.632 57.928 56.287 0.015 0.000 0.929 93 K CB -0.500 32.007 32.500 0.012 0.000 0.714 93 K HN 0.124 nan 8.250 nan 0.000 0.443 94 L N 1.270 122.546 121.223 0.089 0.000 2.263 94 L HA -0.187 4.153 4.340 0.000 0.000 0.216 94 L C 1.727 178.632 176.870 0.058 0.000 1.111 94 L CA 1.691 56.595 54.840 0.107 0.000 0.773 94 L CB -0.251 41.940 42.059 0.220 0.000 0.906 94 L HN 0.022 nan 8.230 nan 0.000 0.439 95 S N -0.847 114.882 115.700 0.048 0.000 2.425 95 S HA -0.060 4.410 4.470 0.000 0.000 0.225 95 S C 1.428 176.036 174.600 0.013 0.000 1.024 95 S CA 0.812 59.028 58.200 0.026 0.000 0.951 95 S CB -0.263 62.951 63.200 0.023 0.000 0.796 95 S HN 0.549 nan 8.310 nan 0.000 0.498 96 D N 1.327 121.735 120.400 0.014 0.000 2.269 96 D HA -0.075 4.565 4.640 0.000 0.000 0.208 96 D C 1.839 178.142 176.300 0.006 0.000 0.963 96 D CA 0.674 54.679 54.000 0.008 0.000 0.864 96 D CB -0.046 40.759 40.800 0.008 0.000 0.936 96 D HN 0.551 nan 8.370 nan 0.000 0.505 97 E N 0.528 120.734 120.200 0.010 0.000 2.033 97 E HA -0.043 4.307 4.350 0.000 0.000 0.189 97 E C 1.766 178.365 176.600 -0.002 0.000 0.979 97 E CA 0.341 56.744 56.400 0.005 0.000 0.802 97 E CB 0.137 29.842 29.700 0.009 0.000 0.763 97 E HN 0.171 nan 8.360 nan 0.000 0.449 98 L N 1.175 122.396 121.223 -0.003 0.000 2.592 98 L HA 0.108 4.448 4.340 0.000 0.000 0.227 98 L C 1.828 178.690 176.870 -0.013 0.000 1.127 98 L CA 0.042 54.875 54.840 -0.011 0.000 0.884 98 L CB -0.025 42.024 42.059 -0.017 0.000 1.065 98 L HN 0.031 nan 8.230 nan 0.000 0.457 99 K N 0.734 121.129 120.400 -0.008 0.000 2.442 99 K HA -0.095 4.225 4.320 0.000 0.000 0.199 99 K C 1.685 178.277 176.600 -0.013 0.000 1.044 99 K CA 1.471 57.752 56.287 -0.010 0.000 0.941 99 K CB -0.826 31.670 32.500 -0.005 0.000 0.759 99 K HN 0.145 nan 8.250 nan 0.000 0.472 100 G N 0.172 108.964 108.800 -0.013 0.000 2.683 100 G HA2 -0.079 3.881 3.960 0.000 0.000 0.213 100 G HA3 -0.079 3.881 3.960 0.000 0.000 0.213 100 G C 0.713 175.603 174.900 -0.018 0.000 1.142 100 G CA 0.467 45.559 45.100 -0.014 0.000 0.793 100 G HN 0.378 nan 8.290 nan 0.000 0.534 101 D N -0.591 119.797 120.400 -0.020 0.000 2.482 101 D HA 0.171 4.811 4.640 0.000 0.000 0.251 101 D C 0.719 177.000 176.300 -0.032 0.000 1.073 101 D CA 0.121 54.106 54.000 -0.024 0.000 0.892 101 D CB 0.876 41.663 40.800 -0.023 0.000 1.202 101 D HN 0.201 nan 8.370 nan 0.000 0.496 102 L N 0.597 121.800 121.223 -0.032 0.000 2.346 102 L HA 0.418 4.758 4.340 0.000 0.000 0.274 102 L C -0.104 176.742 176.870 -0.041 0.000 1.007 102 L CA -0.679 54.136 54.840 -0.042 0.000 0.818 102 L CB 2.555 44.588 42.059 -0.042 0.000 1.284 102 L HN -0.233 nan 8.230 nan 0.000 0.424 103 S N 3.116 118.783 115.700 -0.055 0.000 2.423 103 S HA 0.560 5.030 4.470 0.000 0.000 0.317 103 S C -0.380 174.183 174.600 -0.060 0.000 1.065 103 S CA -0.488 57.680 58.200 -0.053 0.000 1.111 103 S CB -0.024 63.136 63.200 -0.065 0.000 0.968 103 S HN 0.384 nan 8.310 nan 0.000 0.474 104 I N 6.235 126.782 120.570 -0.038 0.000 2.315 104 I HA 0.410 4.580 4.170 0.000 0.000 0.291 104 I C -0.248 175.854 176.117 -0.025 0.000 1.006 104 I CA -0.417 60.864 61.300 -0.031 0.000 1.265 104 I CB 1.147 39.148 38.000 0.001 0.000 1.387 104 I HN 0.463 nan 8.210 nan 0.000 0.475 105 I N 6.581 127.126 120.570 -0.042 0.000 2.493 105 I HA 0.387 4.558 4.170 0.000 0.000 0.298 105 I C -0.097 176.021 176.117 0.001 0.000 0.998 105 I CA -0.665 60.618 61.300 -0.028 0.000 1.137 105 I CB 2.097 40.065 38.000 -0.053 0.000 1.310 105 I HN 0.556 nan 8.210 nan 0.000 0.445 106 M N 5.552 125.164 119.600 0.020 0.000 2.277 106 M HA 0.410 4.890 4.480 0.000 0.000 0.350 106 M C -0.404 175.928 176.300 0.053 0.000 1.180 106 M CA -0.439 54.895 55.300 0.057 0.000 1.103 106 M CB 0.958 33.603 32.600 0.075 0.000 1.577 106 M HN 0.495 nan 8.290 nan 0.000 0.459 107 R N 3.247 123.791 120.500 0.074 0.000 2.296 107 R HA 0.355 4.695 4.340 0.000 0.000 0.323 107 R C -0.522 175.840 176.300 0.104 0.000 1.067 107 R CA 0.077 56.256 56.100 0.132 0.000 0.946 107 R CB 0.488 30.808 30.300 0.033 0.000 0.991 107 R HN 0.745 nan 8.270 nan 0.000 0.448 108 A N 4.619 127.541 122.820 0.171 0.000 3.129 108 A HA 0.206 4.526 4.320 0.000 0.000 0.282 108 A C -1.089 176.670 177.584 0.292 0.000 0.948 108 A CA -0.544 51.569 52.037 0.126 0.000 1.027 108 A CB 0.280 19.206 19.000 -0.123 0.000 1.123 108 A HN 0.575 nan 8.150 nan 0.000 0.485 109 Y N 0.457 120.815 120.300 0.097 0.000 2.411 109 Y HA 0.165 4.715 4.550 0.000 0.000 0.333 109 Y C 1.338 177.332 175.900 0.158 0.000 1.186 109 Y CA -0.483 57.693 58.100 0.126 0.000 1.381 109 Y CB 0.675 39.197 38.460 0.103 0.000 1.273 109 Y HN 0.308 nan 8.280 nan 0.000 0.546 110 L N 1.487 122.860 121.223 0.250 0.000 2.341 110 L HA 0.033 4.374 4.340 0.000 0.000 0.214 110 L C 0.885 177.798 176.870 0.072 0.000 1.115 110 L CA 1.137 56.067 54.840 0.151 0.000 0.820 110 L CB -1.184 40.888 42.059 0.022 0.000 0.944 110 L HN 0.757 nan 8.230 nan 0.000 0.452 111 E N -0.256 120.010 120.200 0.110 0.000 2.281 111 E HA 0.272 4.623 4.350 0.000 0.000 0.255 111 E C -1.297 175.386 176.600 0.138 0.000 1.229 111 E CA -0.719 55.715 56.400 0.057 0.000 0.908 111 E CB 1.814 31.381 29.700 -0.221 0.000 1.670 111 E HN -0.169 nan 8.360 nan 0.000 0.480 112 K N 1.366 121.823 120.400 0.094 0.000 2.578 112 K HA 0.397 4.717 4.320 0.000 0.000 0.250 112 K C -2.540 174.077 176.600 0.028 0.000 0.955 112 K CA -2.057 54.275 56.287 0.075 0.000 0.825 112 K CB 1.285 33.836 32.500 0.085 0.000 1.151 112 K HN 0.280 nan 8.250 nan 0.000 0.432 113 P HA 0.034 nan 4.420 nan 0.000 0.248 113 P C -0.582 176.716 177.300 -0.003 0.000 1.254 113 P CA 0.364 63.461 63.100 -0.005 0.000 1.252 113 P CB 0.045 31.739 31.700 -0.010 0.000 1.465 118 G N 2.412 111.243 108.800 0.051 0.000 3.137 118 G HA2 0.509 4.469 3.960 0.000 0.000 0.196 118 G HA3 0.509 4.469 3.960 0.000 0.000 0.196 118 G C -1.011 173.955 174.900 0.109 0.000 1.135 118 G CA -0.491 44.655 45.100 0.076 0.000 0.803 118 G HN 1.505 nan 8.290 nan 0.000 0.619 119 W N 2.937 124.193 121.300 -0.074 0.000 2.707 119 W HA 0.074 4.734 4.660 0.000 0.000 0.377 119 W C 1.446 177.910 176.519 -0.092 0.000 1.191 119 W CA -0.147 57.141 57.345 -0.095 0.000 1.218 119 W CB 0.372 29.779 29.460 -0.089 0.000 1.291 119 W HN 0.324 nan 8.180 nan 0.000 0.593 120 K N 4.075 124.255 120.400 -0.367 0.000 2.160 120 K HA 0.007 4.327 4.320 0.000 0.000 0.206 120 K C 1.187 177.409 176.600 -0.630 0.000 1.047 120 K CA 1.464 57.498 56.287 -0.421 0.000 0.930 120 K CB -0.722 31.521 32.500 -0.429 0.000 0.720 120 K HN 0.703 nan 8.250 nan 0.000 0.450 121 G N -0.481 107.532 108.800 -1.312 0.000 2.362 121 G HA2 -0.004 3.956 3.960 0.000 0.000 0.288 121 G HA3 -0.004 3.956 3.960 0.000 0.000 0.288 121 G C -0.458 173.541 174.900 -1.502 0.000 1.305 121 G CA -0.350 43.892 45.100 -1.432 0.000 0.910 121 G HN 0.049 nan 8.290 nan 0.000 0.518 122 L N 0.018 120.805 121.223 -0.727 0.000 2.446 122 L HA 0.484 4.824 4.340 0.000 0.000 0.219 122 L C 2.219 178.980 176.870 -0.182 0.000 1.116 122 L CA 1.291 56.019 54.840 -0.188 0.000 0.844 122 L CB -0.309 41.793 42.059 0.073 0.000 0.970 122 L HN 0.592 nan 8.230 nan 0.000 0.457 123 I N -1.144 119.276 120.570 -0.250 0.000 2.499 123 I HA -0.097 4.074 4.170 0.000 0.000 0.243 123 I C 1.910 177.908 176.117 -0.199 0.000 1.085 123 I CA 0.386 61.566 61.300 -0.200 0.000 1.422 123 I CB -0.349 37.533 38.000 -0.197 0.000 1.165 123 I HN 0.188 nan 8.210 nan 0.000 0.440 124 N N 0.487 119.039 118.700 -0.247 0.000 2.149 124 N HA -0.172 4.568 4.740 0.000 0.000 0.188 124 N C 0.416 175.746 175.510 -0.301 0.000 1.019 124 N CA 1.410 54.335 53.050 -0.209 0.000 0.857 124 N CB -0.112 38.233 38.487 -0.235 0.000 0.997 124 N HN 0.268 nan 8.380 nan 0.000 0.426 125 D N -0.506 119.655 120.400 -0.399 0.000 2.405 125 D HA 0.160 4.800 4.640 0.000 0.000 0.264 125 D C -1.889 174.356 176.300 -0.092 0.000 1.240 125 D CA -1.888 51.924 54.000 -0.314 0.000 0.893 125 D CB 1.283 41.821 40.800 -0.437 0.000 1.198 125 D HN -0.018 nan 8.370 nan 0.000 0.514 126 P HA -0.098 nan 4.420 nan 0.000 0.215 126 P C 0.500 177.891 177.300 0.152 0.000 1.157 126 P CA 0.971 64.115 63.100 0.072 0.000 0.868 126 P CB 0.578 32.288 31.700 0.017 0.000 0.788 127 D N -0.251 120.215 120.400 0.109 0.000 2.336 127 D HA 0.053 4.693 4.640 0.000 0.000 0.228 127 D C 0.293 176.673 176.300 0.134 0.000 1.120 127 D CA -0.250 53.811 54.000 0.102 0.000 0.839 127 D CB -0.014 40.820 40.800 0.058 0.000 0.932 127 D HN -0.141 nan 8.370 nan 0.000 0.509 128 V N 2.914 122.984 119.914 0.262 0.000 5.898 128 V HA -0.322 3.798 4.120 0.000 0.000 0.185 128 V C -0.618 175.550 176.094 0.123 0.000 0.709 128 V CA 1.354 63.830 62.300 0.292 0.000 0.601 128 V CB -1.328 30.537 31.823 0.069 0.000 0.554 128 V HN 0.611 nan 8.190 nan 0.000 0.405 129 N N 2.088 120.845 118.700 0.094 0.000 2.423 129 N HA 0.180 4.921 4.740 0.000 0.000 0.262 129 N C 0.267 175.792 175.510 0.025 0.000 1.467 129 N CA 0.293 53.372 53.050 0.049 0.000 0.847 129 N CB -0.421 38.091 38.487 0.042 0.000 1.394 129 N HN 0.722 nan 8.380 nan 0.000 0.495 130 N N -1.093 117.603 118.700 -0.007 0.000 2.895 130 N HA -0.215 4.526 4.740 0.000 0.000 0.237 130 N C -1.147 174.321 175.510 -0.069 0.000 0.934 130 N CA 2.039 55.056 53.050 -0.056 0.000 0.984 130 N CB -1.285 37.221 38.487 0.032 0.000 1.089 130 N HN 0.503 nan 8.380 nan 0.000 0.604 131 T N 1.000 115.539 114.554 -0.025 0.000 2.869 131 T HA 0.440 4.790 4.350 0.000 0.000 0.295 131 T C -0.015 174.681 174.700 -0.007 0.000 0.987 131 T CA -0.057 62.092 62.100 0.081 0.000 1.109 131 T CB 0.353 69.265 68.868 0.073 0.000 0.932 131 T HN 0.141 nan 8.240 nan 0.000 0.518 132 F N 2.396 122.337 119.950 -0.014 0.000 2.399 132 F HA 0.547 5.074 4.527 0.000 0.000 0.328 132 F C 1.126 176.907 175.800 -0.031 0.000 1.084 132 F CA -1.200 56.779 58.000 -0.035 0.000 1.053 132 F CB 0.855 39.827 39.000 -0.046 0.000 1.209 132 F HN 0.466 nan 8.300 nan 0.000 0.502 133 N N 1.530 120.302 118.700 0.120 0.000 2.776 133 N HA 0.085 4.826 4.740 0.000 0.000 0.215 133 N C 0.418 175.932 175.510 0.008 0.000 1.347 133 N CA 0.067 53.151 53.050 0.056 0.000 1.323 133 N CB -0.428 38.082 38.487 0.038 0.000 1.547 133 N HN 0.374 nan 8.380 nan 0.000 0.582 134 I N 0.307 120.879 120.570 0.004 0.000 2.227 134 I HA -0.348 3.823 4.170 0.000 0.000 0.250 134 I C 2.142 178.208 176.117 -0.085 0.000 1.087 134 I CA 1.211 62.477 61.300 -0.056 0.000 1.352 134 I CB -0.339 37.627 38.000 -0.057 0.000 1.043 134 I HN 0.420 nan 8.210 nan 0.000 0.425 135 N N 0.546 119.217 118.700 -0.049 0.000 2.084 135 N HA -0.214 4.526 4.740 0.000 0.000 0.190 135 N C 1.946 177.430 175.510 -0.043 0.000 1.030 135 N CA 1.386 54.408 53.050 -0.046 0.000 0.849 135 N CB -0.286 38.195 38.487 -0.010 0.000 1.012 135 N HN 0.489 nan 8.380 nan 0.000 0.423 136 K N 0.594 120.978 120.400 -0.026 0.000 2.217 136 K HA -0.032 4.288 4.320 0.000 0.000 0.202 136 K C 1.922 178.500 176.600 -0.038 0.000 1.051 136 K CA 1.028 57.303 56.287 -0.019 0.000 0.952 136 K CB -0.178 32.320 32.500 -0.003 0.000 0.736 136 K HN 0.108 nan 8.250 nan 0.000 0.453 137 G N 1.508 110.272 108.800 -0.060 0.000 2.421 137 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 137 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 137 G C 1.445 176.272 174.900 -0.121 0.000 1.171 137 G CA 0.562 45.611 45.100 -0.086 0.000 0.775 137 G HN 0.205 nan 8.290 nan 0.000 0.543 138 L N 0.011 121.139 121.223 -0.159 0.000 2.131 138 L HA -0.120 4.221 4.340 0.000 0.000 0.210 138 L C 3.146 179.944 176.870 -0.120 0.000 1.092 138 L CA 1.006 55.723 54.840 -0.206 0.000 0.759 138 L CB -0.387 41.480 42.059 -0.321 0.000 0.903 138 L HN 0.321 nan 8.230 nan 0.000 0.435 139 Q N -0.696 119.063 119.800 -0.068 0.000 2.079 139 Q HA -0.145 4.195 4.340 0.000 0.000 0.200 139 Q C 2.448 178.427 176.000 -0.035 0.000 0.974 139 Q CA 1.714 57.499 55.803 -0.030 0.000 0.840 139 Q CB -0.067 28.665 28.738 -0.009 0.000 0.898 139 Q HN 0.438 nan 8.270 nan 0.000 0.430 140 S N 1.107 116.783 115.700 -0.039 0.000 2.348 140 S HA -0.185 4.285 4.470 0.000 0.000 0.221 140 S C 2.095 176.665 174.600 -0.050 0.000 1.033 140 S CA 1.008 59.195 58.200 -0.022 0.000 1.010 140 S CB -0.457 62.740 63.200 -0.004 0.000 0.891 140 S HN 0.501 nan 8.310 nan 0.000 0.442 141 A N 2.260 125.008 122.820 -0.120 0.000 1.852 141 A HA -0.240 4.080 4.320 0.000 0.000 0.217 141 A C 2.118 179.492 177.584 -0.350 0.000 1.215 141 A CA 2.046 53.924 52.037 -0.266 0.000 0.641 141 A CB -0.867 17.921 19.000 -0.353 0.000 0.838 141 A HN 0.424 nan 8.150 nan 0.000 0.450 142 R N -1.152 119.189 120.500 -0.266 0.000 2.096 142 R HA -0.251 4.089 4.340 0.000 0.000 0.240 142 R C 2.498 178.790 176.300 -0.013 0.000 1.139 142 R CA 2.139 58.145 56.100 -0.156 0.000 0.952 142 R CB -0.309 29.964 30.300 -0.045 0.000 0.854 142 R HN 0.632 nan 8.270 nan 0.000 0.436 143 Q N 0.820 120.621 119.800 0.001 0.000 2.030 143 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 143 Q C 1.995 178.047 176.000 0.086 0.000 0.986 143 Q CA 1.907 57.735 55.803 0.042 0.000 0.843 143 Q CB -0.570 28.185 28.738 0.028 0.000 0.904 143 Q HN 0.360 nan 8.270 nan 0.000 0.420 144 L N -0.380 120.902 121.223 0.098 0.000 1.956 144 L HA -0.186 4.154 4.340 0.000 0.000 0.216 144 L C 2.024 179.072 176.870 0.297 0.000 1.073 144 L CA 2.038 56.984 54.840 0.176 0.000 0.762 144 L CB -1.043 41.142 42.059 0.211 0.000 0.889 144 L HN 0.284 nan 8.230 nan 0.000 0.433 145 F N -0.600 119.366 119.950 0.027 0.000 2.147 145 F HA -0.234 4.294 4.527 0.000 0.000 0.301 145 F C 2.494 178.311 175.800 0.027 0.000 1.084 145 F CA 1.502 59.518 58.000 0.027 0.000 1.268 145 F CB -1.464 37.552 39.000 0.026 0.000 1.009 145 F HN -0.009 nan 8.300 nan 0.000 0.486 146 V N 0.243 120.295 119.914 0.229 0.000 2.307 146 V HA -0.273 3.848 4.120 0.000 0.000 0.245 146 V C 2.241 178.392 176.094 0.096 0.000 1.045 146 V CA 1.832 64.212 62.300 0.133 0.000 1.024 146 V CB -0.672 31.210 31.823 0.098 0.000 0.651 146 V HN 0.316 nan 8.190 nan 0.000 0.449 147 N N 0.490 119.246 118.700 0.093 0.000 2.061 147 N HA -0.159 4.581 4.740 0.000 0.000 0.193 147 N C 1.845 177.388 175.510 0.055 0.000 1.030 147 N CA 1.624 54.713 53.050 0.066 0.000 0.856 147 N CB -0.396 38.129 38.487 0.063 0.000 1.023 147 N HN 0.397 nan 8.380 nan 0.000 0.424 148 L N 0.768 122.029 121.223 0.062 0.000 1.988 148 L HA -0.130 4.210 4.340 0.000 0.000 0.207 148 L C 2.657 179.539 176.870 0.020 0.000 1.071 148 L CA 1.745 56.605 54.840 0.033 0.000 0.744 148 L CB -1.348 40.718 42.059 0.012 0.000 0.893 148 L HN 0.292 nan 8.230 nan 0.000 0.433 149 T N -3.168 111.398 114.554 0.019 0.000 2.977 149 T HA -0.191 4.159 4.350 0.000 0.000 0.271 149 T C 1.523 176.238 174.700 0.025 0.000 1.105 149 T CA 1.567 63.676 62.100 0.015 0.000 1.116 149 T CB -0.608 68.275 68.868 0.024 0.000 0.878 149 T HN 0.234 nan 8.240 nan 0.000 0.509 150 N N 1.873 120.593 118.700 0.033 0.000 2.396 150 N HA 0.017 4.757 4.740 0.000 0.000 0.180 150 N C 1.455 176.978 175.510 0.021 0.000 1.028 150 N CA 0.918 53.986 53.050 0.030 0.000 0.893 150 N CB -0.497 38.011 38.487 0.035 0.000 0.967 150 N HN 0.822 nan 8.380 nan 0.000 0.440 151 I N -4.139 116.442 120.570 0.018 0.000 3.858 151 I HA 0.474 4.644 4.170 0.000 0.000 0.325 151 I C 0.870 176.993 176.117 0.008 0.000 1.403 151 I CA 0.099 61.406 61.300 0.011 0.000 1.169 151 I CB -0.237 37.767 38.000 0.007 0.000 1.077 151 I HN 0.056 nan 8.210 nan 0.000 0.403 152 G N 2.023 110.830 108.800 0.011 0.000 2.148 152 G HA2 -0.281 3.679 3.960 0.000 0.000 0.254 152 G HA3 -0.281 3.679 3.960 0.000 0.000 0.254 152 G C -0.307 174.597 174.900 0.006 0.000 0.981 152 G CA 0.294 45.399 45.100 0.009 0.000 0.670 152 G HN 0.450 nan 8.290 nan 0.000 0.528 153 L N 1.567 122.793 121.223 0.005 0.000 2.276 153 L HA 0.703 5.043 4.340 0.000 0.000 0.286 153 L C -2.016 174.849 176.870 -0.009 0.000 1.024 153 L CA -2.548 52.294 54.840 0.004 0.000 0.826 153 L CB 1.152 43.219 42.059 0.013 0.000 1.211 153 L HN -0.126 nan 8.230 nan 0.000 0.422 154 P HA 0.272 nan 4.420 nan 0.000 0.270 154 P C -0.978 176.289 177.300 -0.055 0.000 1.223 154 P CA 0.037 63.119 63.100 -0.029 0.000 0.785 154 P CB 0.582 32.274 31.700 -0.014 0.000 0.923 155 I N -2.234 118.268 120.570 -0.113 0.000 2.828 155 I HA 0.892 5.062 4.170 0.000 0.000 0.302 155 I C -0.376 175.642 176.117 -0.165 0.000 1.101 155 I CA -1.061 60.135 61.300 -0.174 0.000 1.031 155 I CB 2.569 40.341 38.000 -0.380 0.000 1.231 155 I HN 0.316 nan 8.210 nan 0.000 0.427 156 G N 1.545 110.304 108.800 -0.069 0.000 2.524 156 G HA2 0.665 4.625 3.960 0.000 0.000 0.310 156 G HA3 0.665 4.625 3.960 0.000 0.000 0.310 156 G C -1.608 173.242 174.900 -0.084 0.000 1.279 156 G CA -0.587 44.546 45.100 0.055 0.000 0.974 156 G HN 0.730 nan 8.290 nan 0.000 0.484 157 S N -0.642 114.877 115.700 -0.302 0.000 2.638 157 S HA 0.521 4.991 4.470 0.000 0.000 0.274 157 S C -1.220 172.952 174.600 -0.714 0.000 1.157 157 S CA -0.662 57.271 58.200 -0.446 0.000 0.826 157 S CB 1.999 65.129 63.200 -0.117 0.000 1.139 157 S HN 0.634 nan 8.310 nan 0.000 0.474 158 E N 1.953 121.618 120.200 -0.892 0.000 2.227 158 E HA 0.252 4.602 4.350 0.000 0.000 0.282 158 E C -0.575 175.878 176.600 -0.245 0.000 1.015 158 E CA -0.587 55.446 56.400 -0.612 0.000 0.823 158 E CB 0.529 29.924 29.700 -0.508 0.000 1.081 158 E HN 0.479 nan 8.360 nan 0.000 0.396 159 M N 6.652 126.162 119.600 -0.150 0.000 2.775 159 M HA 0.032 4.512 4.480 0.000 0.000 0.313 159 M C 0.597 176.934 176.300 0.060 0.000 1.429 159 M CA -0.073 55.213 55.300 -0.024 0.000 1.494 159 M CB -0.290 32.310 32.600 -0.000 0.000 1.274 159 M HN 0.597 nan 8.290 nan 0.000 0.491 160 L N 1.370 122.614 121.223 0.036 0.000 1.932 160 L HA -0.141 4.200 4.340 0.000 0.000 0.217 160 L C 0.975 177.937 176.870 0.153 0.000 1.077 160 L CA 1.893 56.781 54.840 0.080 0.000 0.765 160 L CB -1.627 40.442 42.059 0.017 0.000 0.888 160 L HN 0.507 nan 8.230 nan 0.000 0.433 161 D N -2.524 117.897 120.400 0.034 0.000 2.668 161 D HA 0.221 4.861 4.640 0.000 0.000 0.249 161 D C 0.718 176.951 176.300 -0.111 0.000 1.150 161 D CA 0.108 54.083 54.000 -0.041 0.000 1.090 161 D CB 0.217 41.010 40.800 -0.012 0.000 1.244 161 D HN 0.082 nan 8.370 nan 0.000 0.636 162 T N -2.941 111.549 114.554 -0.106 0.000 3.186 162 T HA 0.351 4.701 4.350 0.000 0.000 0.257 162 T C 0.949 175.675 174.700 0.044 0.000 1.029 162 T CA -0.177 61.880 62.100 -0.071 0.000 0.916 162 T CB -0.676 68.138 68.868 -0.090 0.000 1.041 162 T HN 0.432 nan 8.240 nan 0.000 0.562 163 I N -0.310 120.297 120.570 0.062 0.000 3.739 163 I HA 0.087 4.258 4.170 0.000 0.000 0.272 163 I C 2.344 178.590 176.117 0.215 0.000 1.167 163 I CA -0.073 61.310 61.300 0.139 0.000 1.386 163 I CB -0.143 37.942 38.000 0.141 0.000 1.490 163 I HN 0.113 nan 8.210 nan 0.000 0.452 164 S N 1.972 117.749 115.700 0.129 0.000 2.392 164 S HA -0.138 4.333 4.470 0.000 0.000 0.232 164 S C -0.711 173.996 174.600 0.178 0.000 1.041 164 S CA 1.871 60.137 58.200 0.111 0.000 1.026 164 S CB -1.328 61.870 63.200 -0.003 0.000 0.845 164 S HN 0.269 nan 8.310 nan 0.000 0.465 165 P HA -0.101 nan 4.420 nan 0.000 0.216 165 P C 1.568 178.957 177.300 0.148 0.000 1.150 165 P CA 0.943 64.132 63.100 0.149 0.000 0.837 165 P CB -0.050 31.718 31.700 0.114 0.000 0.786 166 Q N -1.751 118.122 119.800 0.123 0.000 2.170 166 Q HA -0.164 4.176 4.340 0.000 0.000 0.203 166 Q C 1.721 177.688 176.000 -0.054 0.000 0.976 166 Q CA 1.521 57.328 55.803 0.006 0.000 0.858 166 Q CB -0.650 28.039 28.738 -0.081 0.000 0.907 166 Q HN 0.465 nan 8.270 nan 0.000 0.433 167 Y N -0.794 119.510 120.300 0.007 0.000 2.544 167 Y HA -0.000 4.550 4.550 0.000 0.000 0.286 167 Y C 1.668 177.555 175.900 -0.023 0.000 1.141 167 Y CA 0.590 58.681 58.100 -0.016 0.000 1.299 167 Y CB 0.406 38.836 38.460 -0.049 0.000 1.030 167 Y HN 0.002 nan 8.280 nan 0.000 0.543 168 L N -2.816 118.500 121.223 0.154 0.000 3.284 168 L HA 0.365 4.706 4.340 0.000 0.000 0.294 168 L C 2.144 179.160 176.870 0.244 0.000 1.183 168 L CA 0.471 55.401 54.840 0.150 0.000 1.056 168 L CB -0.377 41.694 42.059 0.020 0.000 1.513 168 L HN -0.080 nan 8.230 nan 0.000 0.601 169 A N 1.626 124.586 122.820 0.233 0.000 1.940 169 A HA -0.304 4.016 4.320 0.000 0.000 0.221 169 A C 1.948 179.705 177.584 0.288 0.000 1.190 169 A CA 2.444 54.675 52.037 0.323 0.000 0.647 169 A CB -0.724 18.415 19.000 0.232 0.000 0.821 169 A HN 0.646 nan 8.150 nan 0.000 0.457 170 D N -0.173 120.337 120.400 0.184 0.000 2.311 170 D HA -0.139 4.501 4.640 0.000 0.000 0.212 170 D C 1.486 177.874 176.300 0.148 0.000 0.972 170 D CA 1.243 55.330 54.000 0.146 0.000 0.887 170 D CB -0.350 40.506 40.800 0.094 0.000 0.915 170 D HN 0.551 nan 8.370 nan 0.000 0.497 171 L N 0.199 121.527 121.223 0.174 0.000 2.664 171 L HA 0.171 4.512 4.340 0.000 0.000 0.233 171 L C 0.502 177.402 176.870 0.049 0.000 1.113 171 L CA -0.186 54.737 54.840 0.140 0.000 0.896 171 L CB 1.004 43.194 42.059 0.218 0.000 1.163 171 L HN -0.196 nan 8.230 nan 0.000 0.497 172 V N -0.112 119.817 119.914 0.025 0.000 2.546 172 V HA 0.116 4.236 4.120 0.000 0.000 0.284 172 V C 1.002 176.920 176.094 -0.293 0.000 1.050 172 V CA 0.292 62.445 62.300 -0.246 0.000 0.981 172 V CB 1.640 33.193 31.823 -0.450 0.000 0.990 172 V HN 0.181 nan 8.190 nan 0.000 0.474 173 S N 3.455 118.993 115.700 -0.269 0.000 2.497 173 S HA 0.282 4.752 4.470 0.000 0.000 0.218 173 S C -0.125 174.435 174.600 -0.068 0.000 1.023 173 S CA 0.133 58.281 58.200 -0.086 0.000 0.913 173 S CB 0.275 63.474 63.200 -0.001 0.000 0.800 173 S HN 0.616 nan 8.310 nan 0.000 0.505 174 F N 1.080 120.777 119.950 -0.420 0.000 2.591 174 F HA 0.694 5.221 4.527 0.000 0.000 0.309 174 F C -0.551 174.986 175.800 -0.438 0.000 1.098 174 F CA -0.663 57.172 58.000 -0.275 0.000 0.937 174 F CB 1.304 40.265 39.000 -0.066 0.000 1.250 174 F HN -0.013 nan 8.300 nan 0.000 0.447 175 G N 2.840 110.829 108.800 -1.353 0.000 2.617 175 G HA2 0.740 4.700 3.960 0.000 0.000 0.306 175 G HA3 0.740 4.700 3.960 0.000 0.000 0.306 175 G C -2.124 172.042 174.900 -1.223 0.000 1.360 175 G CA -0.667 43.820 45.100 -1.020 0.000 0.983 175 G HN 1.033 nan 8.290 nan 0.000 0.496 176 A N 2.420 124.752 122.820 -0.813 0.000 2.343 176 A HA 0.698 5.018 4.320 0.000 0.000 0.308 176 A C -0.480 176.932 177.584 -0.287 0.000 1.092 176 A CA -0.601 51.150 52.037 -0.477 0.000 0.751 176 A CB 0.989 19.952 19.000 -0.063 0.000 1.203 176 A HN 0.564 nan 8.150 nan 0.000 0.452 177 I N 2.937 123.335 120.570 -0.287 0.000 2.371 177 I HA 0.254 4.425 4.170 0.000 0.000 0.290 177 I C 1.355 177.465 176.117 -0.011 0.000 1.028 177 I CA 0.125 61.353 61.300 -0.120 0.000 1.345 177 I CB 0.413 38.392 38.000 -0.035 0.000 1.407 177 I HN 0.798 nan 8.210 nan 0.000 0.501 178 G N 4.314 113.108 108.800 -0.010 0.000 2.732 178 G HA2 0.209 4.169 3.960 0.000 0.000 0.244 178 G HA3 0.209 4.169 3.960 0.000 0.000 0.244 178 G C 0.975 175.892 174.900 0.028 0.000 1.226 178 G CA 0.236 45.354 45.100 0.029 0.000 0.860 178 G HN 0.800 nan 8.290 nan 0.000 0.583 179 A N 0.120 122.963 122.820 0.038 0.000 2.015 179 A HA -0.014 4.306 4.320 0.000 0.000 0.219 179 A C 2.302 179.883 177.584 -0.004 0.000 1.163 179 A CA 1.080 53.138 52.037 0.035 0.000 0.646 179 A CB -0.146 18.880 19.000 0.042 0.000 0.806 179 A HN 0.639 nan 8.150 nan 0.000 0.448 180 R N -0.281 120.200 120.500 -0.032 0.000 2.313 180 R HA 0.011 4.351 4.340 0.000 0.000 0.199 180 R C 0.911 177.151 176.300 -0.100 0.000 0.958 180 R CA 1.279 57.346 56.100 -0.054 0.000 1.047 180 R CB -0.162 30.108 30.300 -0.051 0.000 0.955 180 R HN 0.666 nan 8.270 nan 0.000 0.481 181 T N -5.073 109.397 114.554 -0.140 0.000 3.016 181 T HA 0.079 4.429 4.350 0.000 0.000 0.271 181 T C 1.571 176.188 174.700 -0.138 0.000 0.968 181 T CA -0.168 61.771 62.100 -0.268 0.000 0.891 181 T CB 0.471 68.928 68.868 -0.686 0.000 1.149 181 T HN -0.150 nan 8.240 nan 0.000 0.524 182 T N 2.776 117.313 114.554 -0.029 0.000 2.778 182 T HA -0.110 4.240 4.350 0.000 0.000 0.269 182 T C 1.632 176.275 174.700 -0.095 0.000 1.050 182 T CA 1.652 63.763 62.100 0.017 0.000 1.137 182 T CB -0.242 68.650 68.868 0.040 0.000 0.860 182 T HN 0.558 nan 8.240 nan 0.000 0.468 183 E N 0.647 120.801 120.200 -0.076 0.000 2.299 183 E HA 0.081 4.431 4.350 0.000 0.000 0.193 183 E C 0.939 177.501 176.600 -0.064 0.000 0.998 183 E CA -0.169 56.183 56.400 -0.080 0.000 0.851 183 E CB 0.155 29.821 29.700 -0.057 0.000 0.795 183 E HN 0.190 nan 8.360 nan 0.000 0.492 184 S N 1.172 116.848 115.700 -0.041 0.000 2.509 184 S HA -0.076 4.394 4.470 0.000 0.000 0.287 184 S C 0.965 175.572 174.600 0.012 0.000 1.248 184 S CA -0.225 57.983 58.200 0.013 0.000 1.089 184 S CB 0.897 64.149 63.200 0.087 0.000 0.900 184 S HN 0.137 nan 8.310 nan 0.000 0.496 185 Q N 4.777 124.557 119.800 -0.034 0.000 2.077 185 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 185 Q C 1.745 177.665 176.000 -0.134 0.000 0.989 185 Q CA 2.143 57.891 55.803 -0.093 0.000 0.853 185 Q CB -0.529 28.161 28.738 -0.081 0.000 0.907 185 Q HN 0.804 nan 8.270 nan 0.000 0.418 186 L N -0.073 121.092 121.223 -0.097 0.000 2.081 186 L HA -0.216 4.124 4.340 0.000 0.000 0.212 186 L C 1.641 178.326 176.870 -0.309 0.000 1.080 186 L CA 2.216 56.930 54.840 -0.209 0.000 0.754 186 L CB -0.651 41.320 42.059 -0.147 0.000 0.893 186 L HN 0.410 nan 8.230 nan 0.000 0.433 187 H N -1.571 117.414 119.070 -0.141 0.000 2.535 187 H HA 0.117 4.673 4.556 0.000 0.000 0.273 187 H C 2.225 177.538 175.328 -0.024 0.000 0.983 187 H CA 0.783 56.782 56.048 -0.082 0.000 1.238 187 H CB 0.083 29.848 29.762 0.004 0.000 1.412 187 H HN 0.301 nan 8.280 nan 0.000 0.562 188 R N 0.460 120.970 120.500 0.018 0.000 2.062 188 R HA -0.053 4.287 4.340 0.000 0.000 0.226 188 R C 1.795 178.019 176.300 -0.127 0.000 1.125 188 R CA 1.267 57.368 56.100 0.000 0.000 0.966 188 R CB 0.036 30.251 30.300 -0.143 0.000 0.861 188 R HN 0.467 nan 8.270 nan 0.000 0.433 189 E N 0.919 120.892 120.200 -0.377 0.000 2.077 189 E HA -0.208 4.142 4.350 0.000 0.000 0.193 189 E C 1.978 178.360 176.600 -0.363 0.000 0.989 189 E CA 0.956 57.077 56.400 -0.466 0.000 0.800 189 E CB -0.157 29.188 29.700 -0.591 0.000 0.746 189 E HN 0.118 nan 8.360 nan 0.000 0.452 190 L N 1.015 121.946 121.223 -0.486 0.000 2.079 190 L HA -0.153 4.187 4.340 0.000 0.000 0.210 190 L C 2.217 179.007 176.870 -0.134 0.000 1.081 190 L CA 1.950 56.561 54.840 -0.382 0.000 0.752 190 L CB -0.348 41.492 42.059 -0.366 0.000 0.896 190 L HN 0.050 nan 8.230 nan 0.000 0.433 191 A N -0.950 121.837 122.820 -0.055 0.000 1.968 191 A HA -0.137 4.183 4.320 0.000 0.000 0.217 191 A C 2.354 179.948 177.584 0.017 0.000 1.169 191 A CA 1.324 53.349 52.037 -0.019 0.000 0.638 191 A CB -1.003 18.047 19.000 0.084 0.000 0.812 191 A HN 0.643 nan 8.150 nan 0.000 0.446 192 S N -1.145 114.612 115.700 0.095 0.000 2.595 192 S HA 0.204 4.674 4.470 0.000 0.000 0.235 192 S C 1.224 175.882 174.600 0.097 0.000 0.974 192 S CA 1.002 59.295 58.200 0.155 0.000 0.942 192 S CB -0.280 63.141 63.200 0.368 0.000 0.766 192 S HN 0.757 nan 8.310 nan 0.000 0.536 193 G N 0.168 108.996 108.800 0.045 0.000 3.651 193 G HA2 0.398 4.358 3.960 0.000 0.000 0.267 193 G HA3 0.398 4.358 3.960 0.000 0.000 0.267 193 G C 0.023 174.863 174.900 -0.100 0.000 1.009 193 G CA -0.476 44.637 45.100 0.023 0.000 0.866 193 G HN 0.406 nan 8.290 nan 0.000 0.488 194 L N 1.199 122.291 121.223 -0.220 0.000 2.436 194 L HA 0.248 4.588 4.340 0.000 0.000 0.265 194 L C 1.051 177.578 176.870 -0.572 0.000 1.168 194 L CA -0.355 54.174 54.840 -0.519 0.000 0.815 194 L CB 1.582 43.173 42.059 -0.780 0.000 1.109 194 L HN -0.019 nan 8.230 nan 0.000 0.462 195 S N 1.935 117.218 115.700 -0.695 0.000 2.743 195 S HA 0.221 4.691 4.470 0.000 0.000 0.230 195 S C -0.408 174.097 174.600 -0.159 0.000 0.950 195 S CA -0.122 57.884 58.200 -0.323 0.000 0.976 195 S CB -0.672 62.464 63.200 -0.107 0.000 0.779 195 S HN 0.454 nan 8.310 nan 0.000 0.487 196 F N -1.776 118.211 119.950 0.062 0.000 2.789 196 F HA 0.694 5.221 4.527 0.000 0.000 0.319 196 F C -3.505 172.375 175.800 0.133 0.000 1.168 196 F CA -3.428 54.636 58.000 0.106 0.000 0.934 196 F CB -0.189 38.855 39.000 0.074 0.000 1.375 196 F HN -0.356 nan 8.300 nan 0.000 0.480 197 P HA 0.367 nan 4.420 nan 0.000 0.276 197 P C -1.082 176.435 177.300 0.362 0.000 1.230 197 P CA -0.245 63.157 63.100 0.502 0.000 0.776 197 P CB 1.351 33.404 31.700 0.589 0.000 0.888 198 V N 3.357 123.341 119.914 0.115 0.000 2.448 198 V HA 0.611 4.731 4.120 0.000 0.000 0.295 198 V C 0.652 176.334 176.094 -0.687 0.000 1.025 198 V CA -0.466 61.649 62.300 -0.308 0.000 0.859 198 V CB 1.747 33.341 31.823 -0.382 0.000 0.988 198 V HN 0.702 nan 8.190 nan 0.000 0.431 199 G N 3.578 111.867 108.800 -0.852 0.000 2.335 199 G HA2 0.616 4.576 3.960 0.000 0.000 0.316 199 G HA3 0.616 4.576 3.960 0.000 0.000 0.316 199 G C -1.101 173.422 174.900 -0.629 0.000 1.129 199 G CA -0.242 44.216 45.100 -1.071 0.000 0.899 199 G HN 0.394 nan 8.290 nan 0.000 0.448 200 F N 1.720 121.513 119.950 -0.261 0.000 2.404 200 F HA 0.375 4.903 4.527 0.000 0.000 0.354 200 F C 1.010 176.791 175.800 -0.032 0.000 1.122 200 F CA -0.585 57.354 58.000 -0.102 0.000 1.080 200 F CB 1.824 40.783 39.000 -0.068 0.000 1.131 200 F HN 0.191 nan 8.300 nan 0.000 0.471 201 K N 3.569 124.082 120.400 0.188 0.000 2.237 201 K HA 0.163 4.484 4.320 0.000 0.000 0.270 201 K C 0.267 176.946 176.600 0.132 0.000 1.015 201 K CA -0.724 55.656 56.287 0.155 0.000 0.949 201 K CB 0.633 33.221 32.500 0.147 0.000 0.976 201 K HN 0.675 nan 8.250 nan 0.000 0.472 202 N N 0.330 119.098 118.700 0.112 0.000 2.415 202 N HA -0.008 4.732 4.740 0.000 0.000 0.248 202 N C 0.267 175.811 175.510 0.057 0.000 1.271 202 N CA -0.396 52.700 53.050 0.077 0.000 0.913 202 N CB 0.332 38.862 38.487 0.071 0.000 1.129 202 N HN 0.561 nan 8.380 nan 0.000 0.444 203 G N -0.353 108.466 108.800 0.033 0.000 2.464 203 G HA2 -0.029 3.931 3.960 0.000 0.000 0.231 203 G HA3 -0.029 3.931 3.960 0.000 0.000 0.231 203 G C 1.268 176.183 174.900 0.024 0.000 1.267 203 G CA 0.193 45.304 45.100 0.019 0.000 0.863 203 G HN 0.755 nan 8.290 nan 0.000 0.559 204 T N -1.422 113.142 114.554 0.017 0.000 3.098 204 T HA -0.097 4.253 4.350 0.000 0.000 0.266 204 T C 1.066 175.774 174.700 0.015 0.000 1.145 204 T CA 1.284 63.395 62.100 0.018 0.000 1.092 204 T CB -0.016 68.857 68.868 0.008 0.000 0.908 204 T HN 0.635 nan 8.240 nan 0.000 0.526 205 D N 0.473 120.879 120.400 0.010 0.000 2.587 205 D HA 0.265 4.905 4.640 0.000 0.000 0.233 205 D C 1.492 177.796 176.300 0.007 0.000 1.213 205 D CA 0.092 54.096 54.000 0.006 0.000 0.827 205 D CB -0.411 40.390 40.800 0.002 0.000 1.006 205 D HN 0.431 nan 8.370 nan 0.000 0.490 206 G N 1.338 110.146 108.800 0.013 0.000 2.270 206 G HA2 -0.359 3.601 3.960 0.000 0.000 0.268 206 G HA3 -0.359 3.601 3.960 0.000 0.000 0.268 206 G C 0.668 175.575 174.900 0.013 0.000 0.982 206 G CA 1.031 46.138 45.100 0.011 0.000 0.628 206 G HN 0.678 nan 8.290 nan 0.000 0.544 207 T N -1.368 113.193 114.554 0.011 0.000 2.913 207 T HA 0.562 4.912 4.350 0.000 0.000 0.297 207 T C 1.038 175.749 174.700 0.019 0.000 1.029 207 T CA 0.161 62.267 62.100 0.011 0.000 1.104 207 T CB 2.096 70.967 68.868 0.004 0.000 0.964 207 T HN 0.654 nan 8.240 nan 0.000 0.532 208 L N 1.335 122.570 121.223 0.021 0.000 2.693 208 L HA 0.355 4.695 4.340 0.000 0.000 0.235 208 L C 1.494 178.376 176.870 0.020 0.000 1.127 208 L CA 0.543 55.401 54.840 0.031 0.000 0.914 208 L CB -0.698 41.385 42.059 0.040 0.000 1.193 208 L HN 0.600 nan 8.230 nan 0.000 0.502 209 N N -0.303 118.401 118.700 0.007 0.000 2.106 209 N HA -0.163 4.577 4.740 0.000 0.000 0.188 209 N C 1.941 177.436 175.510 -0.025 0.000 1.029 209 N CA 1.915 54.963 53.050 -0.005 0.000 0.848 209 N CB -0.588 37.895 38.487 -0.007 0.000 1.007 209 N HN 0.335 nan 8.380 nan 0.000 0.423 210 V N -1.331 118.564 119.914 -0.032 0.000 2.392 210 V HA -0.098 4.022 4.120 0.000 0.000 0.249 210 V C 2.113 178.144 176.094 -0.106 0.000 1.059 210 V CA 1.813 64.074 62.300 -0.065 0.000 1.051 210 V CB -1.317 30.474 31.823 -0.053 0.000 0.658 210 V HN 0.283 nan 8.190 nan 0.000 0.455 211 A N 0.017 122.802 122.820 -0.057 0.000 1.968 211 A HA 0.002 4.322 4.320 0.000 0.000 0.217 211 A C 2.341 179.882 177.584 -0.071 0.000 1.169 211 A CA 1.749 53.752 52.037 -0.057 0.000 0.638 211 A CB -0.675 18.365 19.000 0.067 0.000 0.812 211 A HN 0.430 nan 8.150 nan 0.000 0.446 212 V N 0.668 120.566 119.914 -0.026 0.000 2.515 212 V HA -0.185 3.936 4.120 0.000 0.000 0.250 212 V C 1.859 177.924 176.094 -0.049 0.000 1.058 212 V CA 2.119 64.418 62.300 -0.002 0.000 1.064 212 V CB -0.596 31.239 31.823 0.020 0.000 0.675 212 V HN 0.526 nan 8.190 nan 0.000 0.461 213 D N 0.338 120.681 120.400 -0.094 0.000 2.234 213 D HA -0.031 4.609 4.640 0.000 0.000 0.205 213 D C 2.213 178.388 176.300 -0.208 0.000 0.962 213 D CA 1.329 55.261 54.000 -0.113 0.000 0.855 213 D CB -0.059 40.680 40.800 -0.102 0.000 0.951 213 D HN 0.446 nan 8.370 nan 0.000 0.500 214 A N 0.827 123.412 122.820 -0.391 0.000 1.858 214 A HA -0.183 4.137 4.320 0.000 0.000 0.216 214 A C 2.544 179.770 177.584 -0.597 0.000 1.190 214 A CA 1.235 52.795 52.037 -0.795 0.000 0.617 214 A CB -1.017 16.950 19.000 -1.721 0.000 0.827 214 A HN 0.324 nan 8.150 nan 0.000 0.443 215 C N -0.682 118.425 119.300 -0.322 0.000 2.413 215 C HA -0.129 4.331 4.460 0.000 0.000 0.276 215 C C 2.939 177.989 174.990 0.100 0.000 1.248 215 C CA 1.172 60.248 59.018 0.097 0.000 1.742 215 C CB -1.196 26.654 27.740 0.184 0.000 2.017 215 C HN 0.597 nan 8.230 nan 0.000 0.481 216 Q N 0.773 120.596 119.800 0.037 0.000 2.050 216 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 216 Q C 2.562 178.639 176.000 0.127 0.000 0.980 216 Q CA 2.093 57.946 55.803 0.084 0.000 0.840 216 Q CB -0.864 27.891 28.738 0.028 0.000 0.898 216 Q HN 0.738 nan 8.270 nan 0.000 0.424 217 A N 1.256 124.100 122.820 0.040 0.000 1.858 217 A HA -0.060 4.260 4.320 0.000 0.000 0.216 217 A C 2.344 180.113 177.584 0.308 0.000 1.190 217 A CA 1.980 54.078 52.037 0.102 0.000 0.617 217 A CB -0.844 18.153 19.000 -0.005 0.000 0.827 217 A HN 0.374 nan 8.150 nan 0.000 0.443 218 A N -0.355 122.601 122.820 0.226 0.000 2.131 218 A HA 0.145 4.465 4.320 0.000 0.000 0.220 218 A C 2.292 180.031 177.584 0.258 0.000 1.158 218 A CA 1.913 54.123 52.037 0.288 0.000 0.665 218 A CB -0.762 18.452 19.000 0.358 0.000 0.795 218 A HN 1.066 nan 8.150 nan 0.000 0.460 219 A N -1.096 121.874 122.820 0.249 0.000 2.014 219 A HA 0.123 4.443 4.320 0.000 0.000 0.218 219 A C 1.073 178.715 177.584 0.096 0.000 1.163 219 A CA 0.696 52.832 52.037 0.166 0.000 0.652 219 A CB -0.402 18.696 19.000 0.163 0.000 0.808 219 A HN 0.607 nan 8.150 nan 0.000 0.449 220 H N -0.796 118.282 119.070 0.013 0.000 2.544 220 H HA 0.469 5.026 4.556 0.000 0.000 0.365 220 H C 0.458 175.633 175.328 -0.254 0.000 1.268 220 H CA 0.144 56.116 56.048 -0.126 0.000 1.400 220 H CB 0.675 30.322 29.762 -0.192 0.000 1.538 220 H HN 0.167 nan 8.280 nan 0.000 0.597 221 S N 0.876 116.476 115.700 -0.166 0.000 2.537 221 S HA 0.216 4.686 4.470 0.000 0.000 0.275 221 S C -0.877 173.535 174.600 -0.313 0.000 1.272 221 S CA -0.566 57.547 58.200 -0.145 0.000 1.050 221 S CB -0.040 63.133 63.200 -0.045 0.000 0.961 221 S HN 0.518 nan 8.310 nan 0.000 0.496 222 H N 2.418 121.591 119.070 0.172 0.000 2.797 222 H HA 0.371 4.927 4.556 0.000 0.000 0.372 222 H C -1.139 174.316 175.328 0.211 0.000 1.168 222 H CA -0.554 55.630 56.048 0.226 0.000 1.163 222 H CB 1.421 31.328 29.762 0.241 0.000 1.778 222 H HN 0.704 nan 8.280 nan 0.000 0.551 223 H N 1.554 120.793 119.070 0.281 0.000 2.786 223 H HA 0.245 4.801 4.556 0.000 0.000 0.284 223 H C -0.819 174.627 175.328 0.196 0.000 1.104 223 H CA -0.418 55.709 56.048 0.132 0.000 1.339 223 H CB 0.058 29.862 29.762 0.071 0.000 1.427 223 H HN 0.380 nan 8.280 nan 0.000 0.497 224 F N -0.017 119.970 119.950 0.061 0.000 2.631 224 F HA 0.640 5.167 4.527 0.000 0.000 0.328 224 F C -0.872 174.934 175.800 0.009 0.000 1.067 224 F CA -1.545 56.477 58.000 0.038 0.000 0.969 224 F CB 1.369 40.372 39.000 0.006 0.000 1.332 224 F HN 0.064 nan 8.300 nan 0.000 0.490 225 M N 2.079 121.811 119.600 0.220 0.000 2.080 225 M HA 0.546 5.026 4.480 0.000 0.000 0.350 225 M C 0.053 176.461 176.300 0.180 0.000 1.173 225 M CA -0.117 55.234 55.300 0.085 0.000 1.052 225 M CB 0.927 33.580 32.600 0.088 0.000 1.577 225 M HN 0.981 nan 8.290 nan 0.000 0.455 226 G N 1.809 110.621 108.800 0.020 0.000 3.176 226 G HA2 0.773 4.733 3.960 0.000 0.000 0.272 226 G HA3 0.773 4.733 3.960 0.000 0.000 0.272 226 G C -1.291 173.627 174.900 0.030 0.000 1.349 226 G CA -0.618 44.549 45.100 0.113 0.000 0.953 226 G HN 0.626 nan 8.290 nan 0.000 0.559 227 V N -1.165 118.775 119.914 0.043 0.000 2.628 227 V HA 0.839 4.959 4.120 0.000 0.000 0.306 227 V C 0.454 176.539 176.094 -0.014 0.000 1.045 227 V CA 0.155 62.467 62.300 0.019 0.000 0.905 227 V CB 1.083 32.936 31.823 0.049 0.000 0.997 227 V HN 1.229 nan 8.190 nan 0.000 0.436 228 T N 1.394 115.933 114.554 -0.026 0.000 2.770 228 T HA 0.357 4.707 4.350 0.000 0.000 0.281 228 T C 0.905 175.567 174.700 -0.064 0.000 0.981 228 T CA -0.412 61.657 62.100 -0.052 0.000 0.955 228 T CB 0.623 69.465 68.868 -0.043 0.000 1.060 228 T HN 0.703 nan 8.240 nan 0.000 0.531 229 K N -0.241 120.095 120.400 -0.108 0.000 2.360 229 K HA -0.077 4.243 4.320 0.000 0.000 0.201 229 K C 1.201 177.779 176.600 -0.036 0.000 1.046 229 K CA 1.147 57.349 56.287 -0.141 0.000 0.945 229 K CB -0.417 31.969 32.500 -0.189 0.000 0.750 229 K HN 0.732 nan 8.250 nan 0.000 0.464 230 H N -0.628 118.392 119.070 -0.084 0.000 2.524 230 H HA 0.117 4.673 4.556 0.000 0.000 0.299 230 H C 0.622 175.924 175.328 -0.044 0.000 1.074 230 H CA -0.092 55.920 56.048 -0.060 0.000 1.115 230 H CB 0.289 30.024 29.762 -0.045 0.000 1.522 230 H HN 0.323 nan 8.280 nan 0.000 0.543 231 G N 1.143 109.979 108.800 0.060 0.000 2.203 231 G HA2 -0.291 3.669 3.960 0.000 0.000 0.263 231 G HA3 -0.291 3.669 3.960 0.000 0.000 0.263 231 G C 0.037 174.961 174.900 0.040 0.000 1.012 231 G CA 0.588 45.716 45.100 0.046 0.000 0.749 231 G HN 0.258 nan 8.290 nan 0.000 0.512 232 V N 0.205 120.141 119.914 0.037 0.000 2.581 232 V HA 0.797 4.917 4.120 0.000 0.000 0.303 232 V C 0.799 176.900 176.094 0.011 0.000 1.041 232 V CA -0.567 61.746 62.300 0.022 0.000 0.907 232 V CB 1.780 33.617 31.823 0.023 0.000 0.994 232 V HN 1.024 nan 8.190 nan 0.000 0.442 233 A N 3.463 126.288 122.820 0.009 0.000 2.450 233 A HA 0.769 5.089 4.320 0.000 0.000 0.255 233 A C 0.278 177.853 177.584 -0.014 0.000 1.096 233 A CA 0.509 52.549 52.037 0.005 0.000 0.778 233 A CB 0.110 19.117 19.000 0.011 0.000 1.031 233 A HN 1.598 nan 8.150 nan 0.000 0.494 234 A N 2.270 125.070 122.820 -0.034 0.000 2.606 234 A HA 0.632 4.952 4.320 0.000 0.000 0.293 234 A C -0.583 176.940 177.584 -0.103 0.000 1.082 234 A CA -0.650 51.352 52.037 -0.060 0.000 0.685 234 A CB 0.678 19.636 19.000 -0.071 0.000 1.284 234 A HN 0.762 nan 8.150 nan 0.000 0.408 235 I N 2.596 123.106 120.570 -0.099 0.000 2.389 235 I HA 0.144 4.314 4.170 0.000 0.000 0.295 235 I C 0.232 176.189 176.117 -0.267 0.000 1.117 235 I CA 0.306 61.527 61.300 -0.132 0.000 1.317 235 I CB 0.311 38.286 38.000 -0.041 0.000 1.431 235 I HN 0.561 nan 8.210 nan 0.000 0.521 236 T N 4.438 118.704 114.554 -0.481 0.000 2.910 236 T HA 0.277 4.628 4.350 0.000 0.000 0.293 236 T C 0.278 174.564 174.700 -0.690 0.000 1.015 236 T CA -0.261 61.445 62.100 -0.657 0.000 1.094 236 T CB 1.016 69.235 68.868 -1.082 0.000 0.968 236 T HN 0.473 nan 8.240 nan 0.000 0.521 237 T N 2.794 117.032 114.554 -0.525 0.000 2.881 237 T HA 0.536 4.886 4.350 0.000 0.000 0.291 237 T C 0.264 174.825 174.700 -0.231 0.000 0.990 237 T CA -0.897 60.898 62.100 -0.509 0.000 0.976 237 T CB 1.233 69.747 68.868 -0.590 0.000 0.970 237 T HN 0.778 nan 8.240 nan 0.000 0.438 238 T N 0.292 114.799 114.554 -0.078 0.000 2.944 238 T HA 0.501 4.851 4.350 0.000 0.000 0.284 238 T C 1.107 175.807 174.700 0.000 0.000 1.010 238 T CA -0.922 61.188 62.100 0.018 0.000 1.025 238 T CB 2.180 71.151 68.868 0.172 0.000 1.079 238 T HN 0.466 nan 8.240 nan 0.000 0.516 239 K N 0.401 120.796 120.400 -0.009 0.000 2.211 239 K HA 0.357 4.678 4.320 0.000 0.000 0.201 239 K C 0.768 177.353 176.600 -0.025 0.000 1.052 239 K CA 0.706 56.977 56.287 -0.026 0.000 0.973 239 K CB -0.372 32.104 32.500 -0.040 0.000 0.766 239 K HN 1.134 nan 8.250 nan 0.000 0.466 240 G N 1.054 109.857 108.800 0.004 0.000 2.885 240 G HA2 -0.153 3.808 3.960 0.000 0.000 0.685 240 G HA3 -0.153 3.808 3.960 0.000 0.000 0.685 240 G C -1.725 173.170 174.900 -0.008 0.000 1.216 240 G CA -0.823 44.288 45.100 0.019 0.000 0.790 240 G HN 0.217 nan 8.290 nan 0.000 0.631 241 N N 0.946 119.662 118.700 0.026 0.000 2.424 241 N HA 0.380 5.121 4.740 0.000 0.000 0.271 241 N C 1.052 176.565 175.510 0.004 0.000 0.985 241 N CA -0.378 52.660 53.050 -0.020 0.000 0.921 241 N CB 1.465 39.959 38.487 0.012 0.000 1.149 241 N HN 0.707 nan 8.380 nan 0.000 0.492 242 E N 2.895 123.031 120.200 -0.107 0.000 2.476 242 E HA 0.001 4.351 4.350 0.000 0.000 0.196 242 E C -0.469 176.235 176.600 0.174 0.000 1.029 242 E CA 0.295 56.693 56.400 -0.003 0.000 0.896 242 E CB -0.511 29.165 29.700 -0.039 0.000 1.012 242 E HN 0.657 nan 8.360 nan 0.000 0.475 243 H N -0.017 119.144 119.070 0.153 0.000 2.507 243 H HA 0.355 4.911 4.556 0.000 0.000 0.271 243 H C -0.722 174.787 175.328 0.301 0.000 1.224 243 H CA -0.752 55.423 56.048 0.212 0.000 1.000 243 H CB 0.173 30.050 29.762 0.192 0.000 1.663 243 H HN 0.067 nan 8.280 nan 0.000 0.548 244 C N 2.351 121.880 119.300 0.381 0.000 2.281 244 C HA 0.398 4.858 4.460 0.000 0.000 0.325 244 C C -0.031 175.200 174.990 0.401 0.000 1.282 244 C CA -0.811 58.393 59.018 0.309 0.000 1.640 244 C CB -1.322 26.610 27.740 0.320 0.000 2.288 244 C HN 0.551 nan 8.230 nan 0.000 0.507 245 F N 1.685 121.772 119.950 0.229 0.000 2.639 245 F HA 0.893 5.420 4.527 0.000 0.000 0.339 245 F C -0.577 175.368 175.800 0.241 0.000 1.071 245 F CA -1.522 56.604 58.000 0.211 0.000 0.994 245 F CB 0.123 39.222 39.000 0.165 0.000 1.341 245 F HN 0.181 nan 8.300 nan 0.000 0.498 246 V N 2.282 122.421 119.914 0.374 0.000 2.539 246 V HA 0.422 4.542 4.120 0.000 0.000 0.292 246 V C 0.003 176.275 176.094 0.297 0.000 1.045 246 V CA -0.690 61.763 62.300 0.256 0.000 0.945 246 V CB 1.491 33.441 31.823 0.211 0.000 0.993 246 V HN 0.603 nan 8.190 nan 0.000 0.464 247 I N 5.094 125.790 120.570 0.210 0.000 2.433 247 I HA 0.425 4.596 4.170 0.000 0.000 0.292 247 I C -0.654 175.569 176.117 0.177 0.000 1.001 247 I CA -0.515 60.918 61.300 0.222 0.000 1.119 247 I CB 1.773 39.895 38.000 0.203 0.000 1.289 247 I HN 0.318 nan 8.210 nan 0.000 0.438 248 L N 6.831 128.156 121.223 0.169 0.000 2.264 248 L HA 0.422 4.763 4.340 0.000 0.000 0.289 248 L C 0.275 177.235 176.870 0.149 0.000 1.044 248 L CA -0.480 54.445 54.840 0.142 0.000 0.807 248 L CB 0.830 42.969 42.059 0.134 0.000 1.192 248 L HN 0.683 nan 8.230 nan 0.000 0.425 249 R N 1.357 121.939 120.500 0.138 0.000 2.616 249 R HA 0.494 4.834 4.340 0.000 0.000 0.427 249 R C 0.341 176.718 176.300 0.129 0.000 1.030 249 R CA -0.115 56.078 56.100 0.154 0.000 1.133 249 R CB 0.205 30.625 30.300 0.201 0.000 1.444 249 R HN 0.640 nan 8.270 nan 0.000 0.578 250 G N -0.798 108.053 108.800 0.085 0.000 2.698 250 G HA2 0.198 4.158 3.960 0.000 0.000 0.233 250 G HA3 0.198 4.158 3.960 0.000 0.000 0.233 250 G C 0.167 175.093 174.900 0.044 0.000 1.352 250 G CA -0.145 44.980 45.100 0.043 0.000 0.879 250 G HN 1.023 nan 8.290 nan 0.000 0.567 251 G N -2.434 106.381 108.800 0.025 0.000 2.441 251 G HA2 0.565 4.525 3.960 0.000 0.000 0.225 251 G HA3 0.565 4.525 3.960 0.000 0.000 0.225 251 G C 0.553 175.459 174.900 0.010 0.000 1.200 251 G CA 0.789 45.903 45.100 0.023 0.000 0.947 251 G HN 0.810 nan 8.290 nan 0.000 0.484 252 K N 0.263 120.666 120.400 0.006 0.000 2.005 252 K HA 0.068 4.388 4.320 0.000 0.000 0.206 252 K C 2.324 178.919 176.600 -0.007 0.000 1.044 252 K CA 1.328 57.615 56.287 0.001 0.000 0.942 252 K CB -0.656 31.844 32.500 0.001 0.000 0.727 252 K HN 0.479 nan 8.250 nan 0.000 0.439 253 K N 0.422 120.817 120.400 -0.008 0.000 2.144 253 K HA -0.182 4.138 4.320 0.000 0.000 0.209 253 K C 0.361 176.945 176.600 -0.027 0.000 1.047 253 K CA 1.638 57.916 56.287 -0.015 0.000 0.927 253 K CB -0.046 32.446 32.500 -0.012 0.000 0.716 253 K HN 0.378 nan 8.250 nan 0.000 0.454 254 G N -0.781 107.999 108.800 -0.033 0.000 2.335 254 G HA2 -0.122 3.838 3.960 0.000 0.000 0.592 254 G HA3 -0.122 3.838 3.960 0.000 0.000 0.592 254 G C -0.665 174.176 174.900 -0.098 0.000 1.442 254 G CA -0.423 44.641 45.100 -0.059 0.000 0.976 254 G HN 0.253 nan 8.290 nan 0.000 0.652 255 T N -0.972 113.488 114.554 -0.157 0.000 2.905 255 T HA 0.305 4.655 4.350 0.000 0.000 0.299 255 T C 0.927 175.405 174.700 -0.370 0.000 1.024 255 T CA 0.818 62.749 62.100 -0.283 0.000 1.151 255 T CB 0.537 69.103 68.868 -0.502 0.000 0.987 255 T HN 1.541 nan 8.240 nan 0.000 0.535 256 N N 1.722 120.273 118.700 -0.249 0.000 2.401 256 N HA 0.098 4.838 4.740 0.000 0.000 0.264 256 N C 0.373 175.850 175.510 -0.055 0.000 1.238 256 N CA -0.809 52.150 53.050 -0.152 0.000 0.889 256 N CB -0.349 38.116 38.487 -0.036 0.000 1.196 256 N HN 0.842 nan 8.380 nan 0.000 0.511 257 Y N -0.528 119.794 120.300 0.036 0.000 2.544 257 Y HA 0.191 4.741 4.550 0.000 0.000 0.286 257 Y C 0.397 176.309 175.900 0.020 0.000 1.141 257 Y CA -1.385 56.738 58.100 0.038 0.000 1.299 257 Y CB -0.856 37.614 38.460 0.017 0.000 1.030 257 Y HN 0.101 nan 8.280 nan 0.000 0.543 258 D N 0.916 121.511 120.400 0.324 0.000 2.380 258 D HA 0.151 4.792 4.640 0.000 0.000 0.254 258 D C 1.199 177.572 176.300 0.121 0.000 1.288 258 D CA 0.343 54.489 54.000 0.243 0.000 1.008 258 D CB 1.254 42.129 40.800 0.124 0.000 1.099 258 D HN 0.225 nan 8.370 nan 0.000 0.537 259 A N -0.538 122.333 122.820 0.085 0.000 2.021 259 A HA -0.075 4.245 4.320 0.000 0.000 0.216 259 A C 2.154 179.762 177.584 0.040 0.000 1.163 259 A CA 0.788 52.860 52.037 0.057 0.000 0.676 259 A CB -0.447 18.580 19.000 0.045 0.000 0.818 259 A HN 0.632 nan 8.150 nan 0.000 0.453 260 K N 0.703 121.121 120.400 0.031 0.000 2.025 260 K HA -0.136 4.184 4.320 0.000 0.000 0.207 260 K C 2.353 178.963 176.600 0.018 0.000 1.049 260 K CA 1.735 58.034 56.287 0.019 0.000 0.933 260 K CB -0.160 32.346 32.500 0.010 0.000 0.714 260 K HN 0.590 nan 8.250 nan 0.000 0.438 261 S N 0.304 116.011 115.700 0.012 0.000 2.368 261 S HA -0.120 4.351 4.470 0.000 0.000 0.225 261 S C 2.107 176.725 174.600 0.030 0.000 1.030 261 S CA 1.381 59.587 58.200 0.010 0.000 0.999 261 S CB -0.770 62.422 63.200 -0.014 0.000 0.844 261 S HN 0.108 nan 8.310 nan 0.000 0.459 262 V N 2.620 122.561 119.914 0.045 0.000 2.392 262 V HA -0.160 3.960 4.120 0.000 0.000 0.249 262 V C 3.076 179.198 176.094 0.047 0.000 1.059 262 V CA 1.748 64.083 62.300 0.057 0.000 1.051 262 V CB -1.451 30.412 31.823 0.068 0.000 0.658 262 V HN 0.687 nan 8.190 nan 0.000 0.455 263 A N 0.670 123.513 122.820 0.038 0.000 1.968 263 A HA -0.209 4.111 4.320 0.000 0.000 0.217 263 A C 2.206 179.808 177.584 0.030 0.000 1.169 263 A CA 1.627 53.683 52.037 0.032 0.000 0.638 263 A CB -0.378 18.638 19.000 0.027 0.000 0.812 263 A HN 0.784 nan 8.150 nan 0.000 0.446 264 E N 0.193 120.409 120.200 0.027 0.000 2.107 264 E HA 0.040 4.390 4.350 0.000 0.000 0.191 264 E C 1.936 178.554 176.600 0.031 0.000 0.982 264 E CA 1.179 57.594 56.400 0.024 0.000 0.809 264 E CB -0.496 29.215 29.700 0.018 0.000 0.756 264 E HN 0.383 nan 8.360 nan 0.000 0.459 265 A N 1.842 124.685 122.820 0.038 0.000 1.859 265 A HA -0.264 4.057 4.320 0.000 0.000 0.217 265 A C 2.186 179.801 177.584 0.052 0.000 1.198 265 A CA 2.145 54.212 52.037 0.049 0.000 0.629 265 A CB -0.650 18.386 19.000 0.061 0.000 0.830 265 A HN 0.243 nan 8.150 nan 0.000 0.446 266 K N -0.461 119.969 120.400 0.050 0.000 2.160 266 K HA -0.134 4.187 4.320 0.000 0.000 0.206 266 K C 2.088 178.714 176.600 0.043 0.000 1.047 266 K CA 1.174 57.490 56.287 0.049 0.000 0.930 266 K CB -0.322 32.203 32.500 0.043 0.000 0.720 266 K HN 0.498 nan 8.250 nan 0.000 0.450 267 A N 0.914 123.755 122.820 0.036 0.000 2.014 267 A HA -0.152 4.169 4.320 0.000 0.000 0.218 267 A C 1.857 179.460 177.584 0.032 0.000 1.163 267 A CA 1.012 53.068 52.037 0.031 0.000 0.652 267 A CB -0.152 18.863 19.000 0.025 0.000 0.808 267 A HN 0.291 nan 8.150 nan 0.000 0.449 268 Q N -0.461 119.360 119.800 0.036 0.000 2.212 268 Q HA 0.147 4.488 4.340 0.000 0.000 0.199 268 Q C -0.059 175.966 176.000 0.043 0.000 0.950 268 Q CA 0.005 55.829 55.803 0.035 0.000 0.863 268 Q CB -0.175 28.584 28.738 0.035 0.000 0.944 268 Q HN 0.562 nan 8.270 nan 0.000 0.465 269 L N 4.215 125.470 121.223 0.053 0.000 2.584 269 L HA 0.048 4.389 4.340 0.000 0.000 0.272 269 L C -1.808 175.096 176.870 0.056 0.000 1.195 269 L CA -0.973 53.905 54.840 0.063 0.000 0.920 269 L CB -0.337 41.766 42.059 0.073 0.000 1.173 269 L HN 0.072 nan 8.230 nan 0.000 0.489 270 P HA 0.301 nan 4.420 nan 0.000 0.284 270 P C -0.725 176.609 177.300 0.058 0.000 1.287 270 P CA -0.701 62.431 63.100 0.053 0.000 0.824 270 P CB 0.969 32.700 31.700 0.051 0.000 1.180 271 A N -0.212 122.639 122.820 0.051 0.000 2.613 271 A HA 0.320 4.641 4.320 0.000 0.000 0.230 271 A C 1.414 179.034 177.584 0.060 0.000 1.051 271 A CA 0.957 53.023 52.037 0.050 0.000 0.754 271 A CB -1.707 17.319 19.000 0.042 0.000 0.979 271 A HN 0.991 nan 8.150 nan 0.000 0.510 272 G N 0.614 109.449 108.800 0.058 0.000 2.283 272 G HA2 -0.140 3.820 3.960 0.000 0.000 0.280 272 G HA3 -0.140 3.820 3.960 0.000 0.000 0.280 272 G C 0.388 175.342 174.900 0.090 0.000 1.029 272 G CA 0.848 45.989 45.100 0.068 0.000 0.840 272 G HN 1.668 nan 8.290 nan 0.000 0.505 273 S N -0.144 115.610 115.700 0.091 0.000 2.508 273 S HA 0.601 5.071 4.470 0.000 0.000 0.284 273 S C 0.983 175.653 174.600 0.117 0.000 1.192 273 S CA -0.613 57.656 58.200 0.115 0.000 1.070 273 S CB 0.549 63.813 63.200 0.108 0.000 1.004 273 S HN 0.428 nan 8.310 nan 0.000 0.493 274 N N 2.258 121.050 118.700 0.153 0.000 2.332 274 N HA 0.285 5.025 4.740 0.000 0.000 0.285 274 N C 0.854 176.429 175.510 0.108 0.000 1.292 274 N CA -0.162 52.965 53.050 0.127 0.000 0.947 274 N CB -0.679 37.906 38.487 0.164 0.000 1.084 274 N HN 0.689 nan 8.380 nan 0.000 0.529 275 G N -0.663 108.164 108.800 0.044 0.000 2.553 275 G HA2 0.428 4.388 3.960 0.000 0.000 0.278 275 G HA3 0.428 4.388 3.960 0.000 0.000 0.278 275 G C -0.667 174.288 174.900 0.091 0.000 1.349 275 G CA -0.124 44.989 45.100 0.021 0.000 1.037 275 G HN 0.210 nan 8.290 nan 0.000 0.508 276 L N -0.449 120.816 121.223 0.070 0.000 2.334 276 L HA 0.633 4.973 4.340 0.000 0.000 0.276 276 L C 0.222 177.160 176.870 0.114 0.000 1.014 276 L CA -0.504 54.421 54.840 0.142 0.000 0.815 276 L CB 1.780 43.908 42.059 0.116 0.000 1.268 276 L HN 0.634 nan 8.230 nan 0.000 0.428 277 M N 3.371 123.110 119.600 0.231 0.000 2.644 277 M HA 0.724 5.204 4.480 0.000 0.000 0.316 277 M C -1.533 174.866 176.300 0.165 0.000 1.200 277 M CA -0.204 55.204 55.300 0.180 0.000 0.944 277 M CB 1.830 34.655 32.600 0.376 0.000 1.691 277 M HN 0.431 nan 8.290 nan 0.000 0.471 278 I N 2.304 122.940 120.570 0.110 0.000 2.534 278 I HA 0.249 4.420 4.170 0.000 0.000 0.286 278 I C -1.390 174.790 176.117 0.105 0.000 1.094 278 I CA -0.809 60.580 61.300 0.148 0.000 1.055 278 I CB 1.852 39.977 38.000 0.208 0.000 1.225 278 I HN 0.586 nan 8.210 nan 0.000 0.435 279 D N 5.164 125.638 120.400 0.124 0.000 2.343 279 D HA 0.090 4.730 4.640 0.000 0.000 0.255 279 D C 0.488 176.899 176.300 0.185 0.000 1.187 279 D CA 0.239 54.271 54.000 0.053 0.000 0.875 279 D CB 0.799 41.619 40.800 0.034 0.000 1.136 279 D HN 0.276 nan 8.370 nan 0.000 0.469 280 Y N 1.395 121.666 120.300 -0.048 0.000 2.561 280 Y HA 0.046 4.596 4.550 0.000 0.000 0.291 280 Y C 1.248 177.117 175.900 -0.053 0.000 1.141 280 Y CA -0.007 58.073 58.100 -0.033 0.000 1.303 280 Y CB -0.225 38.204 38.460 -0.053 0.000 1.015 280 Y HN 0.166 nan 8.280 nan 0.000 0.547 281 S N -1.811 113.873 115.700 -0.027 0.000 2.748 281 S HA 0.421 4.891 4.470 0.000 0.000 0.299 281 S C -0.330 174.175 174.600 -0.158 0.000 1.119 281 S CA -0.413 57.686 58.200 -0.169 0.000 0.997 281 S CB 1.572 64.523 63.200 -0.415 0.000 1.223 281 S HN 0.509 nan 8.310 nan 0.000 0.541 282 H N -0.081 119.045 119.070 0.094 0.000 1.452 282 H HA -0.235 4.322 4.556 0.000 0.000 0.090 282 H C 1.542 176.918 175.328 0.080 0.000 1.168 282 H CA 0.094 56.188 56.048 0.077 0.000 1.901 282 H CB -1.489 28.314 29.762 0.069 0.000 2.257 282 H HN 0.799 nan 8.280 nan 0.000 0.961 283 G N 0.291 109.229 108.800 0.229 0.000 2.591 283 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 283 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 283 G C 0.730 175.691 174.900 0.101 0.000 1.113 283 G CA 1.414 46.591 45.100 0.129 0.000 0.740 283 G HN 0.509 nan 8.290 nan 0.000 0.569 284 N N -0.219 118.565 118.700 0.140 0.000 2.328 284 N HA 0.122 4.862 4.740 0.000 0.000 0.247 284 N C 0.744 176.395 175.510 0.235 0.000 1.165 284 N CA 0.588 53.752 53.050 0.189 0.000 0.873 284 N CB 0.935 39.593 38.487 0.285 0.000 1.125 284 N HN 0.355 nan 8.380 nan 0.000 0.513 285 S N -1.595 114.198 115.700 0.154 0.000 3.088 285 S HA 0.118 4.589 4.470 0.000 0.000 0.249 285 S C 0.016 174.665 174.600 0.081 0.000 0.877 285 S CA -0.577 57.695 58.200 0.121 0.000 1.184 285 S CB -0.288 62.973 63.200 0.102 0.000 1.170 285 S HN -0.003 nan 8.310 nan 0.000 0.603 286 N N 2.865 121.611 118.700 0.075 0.000 2.700 286 N HA -0.170 4.571 4.740 0.000 0.000 0.265 286 N C -0.475 175.058 175.510 0.037 0.000 0.975 286 N CA 1.061 54.139 53.050 0.046 0.000 0.800 286 N CB -1.223 37.282 38.487 0.030 0.000 0.908 286 N HN 0.585 nan 8.380 nan 0.000 0.551 287 K N -1.893 118.542 120.400 0.059 0.000 3.035 287 K HA -0.229 4.092 4.320 0.000 0.000 0.262 287 K C -0.794 175.829 176.600 0.038 0.000 1.024 287 K CA 1.343 57.665 56.287 0.059 0.000 0.748 287 K CB -0.987 31.538 32.500 0.041 0.000 1.247 287 K HN 0.656 nan 8.250 nan 0.000 0.482 288 D N -0.881 119.536 120.400 0.028 0.000 2.977 288 D HA 0.233 4.874 4.640 0.000 0.000 0.220 288 D C 0.348 176.628 176.300 -0.032 0.000 1.267 288 D CA -0.905 53.056 54.000 -0.065 0.000 0.884 288 D CB 0.582 41.297 40.800 -0.141 0.000 1.667 288 D HN -0.045 nan 8.370 nan 0.000 0.536 289 F N 2.063 122.027 119.950 0.024 0.000 2.802 289 F HA 0.287 4.814 4.527 0.000 0.000 0.300 289 F C 1.416 177.219 175.800 0.007 0.000 1.168 289 F CA 0.006 58.018 58.000 0.020 0.000 1.433 289 F CB -0.062 38.951 39.000 0.022 0.000 1.115 289 F HN 0.119 nan 8.300 nan 0.000 0.582 290 R N 0.280 120.597 120.500 -0.305 0.000 2.297 290 R HA 0.070 4.410 4.340 0.000 0.000 0.197 290 R C 0.880 177.124 176.300 -0.094 0.000 0.943 290 R CA 0.472 56.464 56.100 -0.181 0.000 1.038 290 R CB -0.401 29.715 30.300 -0.306 0.000 0.957 290 R HN 0.273 nan 8.270 nan 0.000 0.484 291 N N 0.874 119.529 118.700 -0.076 0.000 2.416 291 N HA -0.068 4.672 4.740 0.000 0.000 0.177 291 N C 1.403 176.852 175.510 -0.101 0.000 1.036 291 N CA 0.677 53.686 53.050 -0.067 0.000 0.901 291 N CB 0.128 38.606 38.487 -0.015 0.000 0.976 291 N HN 0.236 nan 8.380 nan 0.000 0.444 292 Q N 0.321 120.095 119.800 -0.043 0.000 2.030 292 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 292 Q C -0.692 175.183 176.000 -0.208 0.000 0.986 292 Q CA 1.503 57.261 55.803 -0.075 0.000 0.843 292 Q CB -1.288 27.510 28.738 0.101 0.000 0.904 292 Q HN 0.350 nan 8.270 nan 0.000 0.420 293 P HA -0.184 nan 4.420 nan 0.000 0.217 293 P C 0.816 177.987 177.300 -0.215 0.000 1.148 293 P CA 1.472 64.496 63.100 -0.128 0.000 0.828 293 P CB -0.017 31.645 31.700 -0.063 0.000 0.783 294 K N -0.778 119.483 120.400 -0.232 0.000 2.007 294 K HA -0.044 4.276 4.320 0.000 0.000 0.206 294 K C 1.964 178.290 176.600 -0.456 0.000 1.047 294 K CA 1.215 57.341 56.287 -0.269 0.000 0.937 294 K CB -1.004 31.373 32.500 -0.205 0.000 0.718 294 K HN -0.032 nan 8.250 nan 0.000 0.438 295 V N 2.415 121.957 119.914 -0.620 0.000 2.317 295 V HA -0.330 3.791 4.120 0.000 0.000 0.251 295 V C 2.115 177.637 176.094 -0.954 0.000 1.065 295 V CA 2.203 63.917 62.300 -0.976 0.000 1.049 295 V CB -0.866 30.446 31.823 -0.852 0.000 0.651 295 V HN 0.405 nan 8.190 nan 0.000 0.450 296 N N 0.611 118.711 118.700 -1.000 0.000 2.043 296 N HA -0.208 4.533 4.740 0.000 0.000 0.193 296 N C 1.479 176.795 175.510 -0.323 0.000 1.037 296 N CA 2.063 54.689 53.050 -0.707 0.000 0.851 296 N CB -0.328 37.972 38.487 -0.311 0.000 1.027 296 N HN 0.489 nan 8.380 nan 0.000 0.422 297 D N -0.483 119.750 120.400 -0.277 0.000 2.116 297 D HA -0.126 4.514 4.640 0.000 0.000 0.193 297 D C 2.003 178.204 176.300 -0.166 0.000 0.998 297 D CA 0.993 54.887 54.000 -0.177 0.000 0.836 297 D CB -0.564 40.141 40.800 -0.158 0.000 0.951 297 D HN 0.140 nan 8.370 nan 0.000 0.449 298 V N 0.412 120.182 119.914 -0.240 0.000 2.594 298 V HA -0.173 3.947 4.120 0.000 0.000 0.253 298 V C 2.423 178.458 176.094 -0.098 0.000 1.069 298 V CA 0.935 63.133 62.300 -0.169 0.000 1.082 298 V CB -0.242 31.433 31.823 -0.246 0.000 0.680 298 V HN 0.075 nan 8.190 nan 0.000 0.469 299 V N -1.623 118.215 119.914 -0.127 0.000 2.379 299 V HA -0.169 3.951 4.120 0.000 0.000 0.243 299 V C 2.479 178.572 176.094 -0.001 0.000 1.035 299 V CA 1.685 63.973 62.300 -0.020 0.000 1.035 299 V CB -0.534 31.320 31.823 0.052 0.000 0.673 299 V HN 0.587 nan 8.190 nan 0.000 0.457 300 C N 0.456 119.745 119.300 -0.019 0.000 2.403 300 C HA -0.222 4.238 4.460 0.000 0.000 0.277 300 C C 2.773 177.755 174.990 -0.013 0.000 1.248 300 C CA 1.766 60.779 59.018 -0.009 0.000 1.762 300 C CB -0.973 26.753 27.740 -0.024 0.000 2.014 300 C HN 0.743 nan 8.230 nan 0.000 0.486 301 E N 0.411 120.597 120.200 -0.023 0.000 2.150 301 E HA -0.233 4.118 4.350 0.000 0.000 0.193 301 E C 2.045 178.643 176.600 -0.003 0.000 0.985 301 E CA 1.122 57.512 56.400 -0.016 0.000 0.814 301 E CB -0.185 29.502 29.700 -0.022 0.000 0.752 301 E HN 0.702 nan 8.360 nan 0.000 0.466 302 Q N 0.096 119.899 119.800 0.005 0.000 2.230 302 Q HA -0.055 4.286 4.340 0.000 0.000 0.202 302 Q C 2.237 178.245 176.000 0.014 0.000 0.963 302 Q CA 0.998 56.811 55.803 0.016 0.000 0.866 302 Q CB 0.128 28.884 28.738 0.031 0.000 0.931 302 Q HN 0.421 nan 8.270 nan 0.000 0.452 303 I N 0.518 121.095 120.570 0.012 0.000 2.206 303 I HA -0.182 3.988 4.170 0.000 0.000 0.239 303 I C 2.369 178.487 176.117 0.002 0.000 1.078 303 I CA 0.803 62.108 61.300 0.008 0.000 1.367 303 I CB -0.445 37.560 38.000 0.008 0.000 1.078 303 I HN 0.112 nan 8.210 nan 0.000 0.413 304 A N 0.525 123.344 122.820 -0.002 0.000 2.084 304 A HA -0.193 4.127 4.320 0.000 0.000 0.221 304 A C 1.730 179.312 177.584 -0.004 0.000 1.161 304 A CA 1.675 53.709 52.037 -0.005 0.000 0.653 304 A CB -0.680 18.315 19.000 -0.009 0.000 0.802 304 A HN 0.516 nan 8.150 nan 0.000 0.457 305 N N -1.127 117.573 118.700 -0.001 0.000 2.251 305 N HA 0.224 4.965 4.740 0.000 0.000 0.217 305 N C 0.807 176.319 175.510 0.003 0.000 1.124 305 N CA 0.751 53.801 53.050 0.001 0.000 0.843 305 N CB 0.623 39.111 38.487 0.002 0.000 1.024 305 N HN 0.601 nan 8.380 nan 0.000 0.501 306 G N 1.689 110.490 108.800 0.003 0.000 2.134 306 G HA2 -0.245 3.716 3.960 0.000 0.000 0.209 306 G HA3 -0.245 3.716 3.960 0.000 0.000 0.209 306 G C -0.107 174.798 174.900 0.007 0.000 0.993 306 G CA -0.260 44.842 45.100 0.004 0.000 0.669 306 G HN 0.335 nan 8.290 nan 0.000 0.519 307 E N 0.655 120.861 120.200 0.010 0.000 2.166 307 E HA 0.462 4.812 4.350 0.000 0.000 0.279 307 E C 1.136 177.743 176.600 0.012 0.000 1.095 307 E CA -0.354 56.055 56.400 0.015 0.000 0.888 307 E CB 0.194 29.908 29.700 0.023 0.000 1.041 307 E HN 0.164 nan 8.360 nan 0.000 0.414 308 N N 3.227 121.934 118.700 0.010 0.000 2.353 308 N HA 0.099 4.839 4.740 0.000 0.000 0.185 308 N C 0.606 176.120 175.510 0.005 0.000 1.098 308 N CA 0.777 53.830 53.050 0.005 0.000 0.872 308 N CB 0.492 38.981 38.487 0.003 0.000 0.970 308 N HN 0.499 nan 8.380 nan 0.000 0.467 309 A N -0.067 122.762 122.820 0.016 0.000 2.178 309 A HA 0.223 4.544 4.320 0.000 0.000 0.211 309 A C 0.753 178.350 177.584 0.021 0.000 1.157 309 A CA -0.022 52.028 52.037 0.022 0.000 0.780 309 A CB -0.107 18.915 19.000 0.036 0.000 0.828 309 A HN 0.151 nan 8.150 nan 0.000 0.476 310 I N 2.043 122.625 120.570 0.020 0.000 2.243 310 I HA 0.021 4.192 4.170 0.000 0.000 0.297 310 I C 1.660 177.769 176.117 -0.013 0.000 1.161 310 I CA 0.261 61.574 61.300 0.022 0.000 1.298 310 I CB 0.472 38.496 38.000 0.039 0.000 1.475 310 I HN 0.350 nan 8.210 nan 0.000 0.561 311 T N 0.698 115.225 114.554 -0.045 0.000 3.054 311 T HA 0.202 4.552 4.350 0.000 0.000 0.259 311 T C 0.813 175.428 174.700 -0.142 0.000 1.092 311 T CA 0.298 62.337 62.100 -0.101 0.000 1.121 311 T CB 0.379 69.157 68.868 -0.149 0.000 0.912 311 T HN 0.566 nan 8.240 nan 0.000 0.489 312 G N 0.316 109.036 108.800 -0.133 0.000 2.684 312 G HA2 0.576 4.536 3.960 0.000 0.000 0.290 312 G HA3 0.576 4.536 3.960 0.000 0.000 0.290 312 G C -1.605 173.222 174.900 -0.121 0.000 1.425 312 G CA -0.290 44.713 45.100 -0.162 0.000 0.822 312 G HN 0.982 nan 8.290 nan 0.000 0.482 313 V N -2.049 117.754 119.914 -0.184 0.000 2.851 313 V HA 0.833 4.954 4.120 0.000 0.000 0.307 313 V C -0.480 175.411 176.094 -0.339 0.000 1.129 313 V CA -0.989 61.148 62.300 -0.272 0.000 0.932 313 V CB 1.571 33.147 31.823 -0.411 0.000 1.024 313 V HN 0.965 nan 8.190 nan 0.000 0.426 314 M N 4.738 124.150 119.600 -0.314 0.000 2.314 314 M HA 0.745 5.225 4.480 0.000 0.000 0.342 314 M C -1.191 174.898 176.300 -0.351 0.000 1.171 314 M CA -0.408 54.745 55.300 -0.244 0.000 1.098 314 M CB 1.274 33.813 32.600 -0.101 0.000 1.559 314 M HN 0.781 nan 8.290 nan 0.000 0.459 315 I N 3.045 123.476 120.570 -0.232 0.000 2.586 315 I HA 0.201 4.372 4.170 0.000 0.000 0.288 315 I C -0.892 175.173 176.117 -0.087 0.000 1.147 315 I CA -0.510 60.692 61.300 -0.163 0.000 1.047 315 I CB 2.185 40.100 38.000 -0.142 0.000 1.244 315 I HN 0.651 nan 8.210 nan 0.000 0.429 316 E N 4.263 124.423 120.200 -0.068 0.000 1.856 316 E HA 0.197 4.547 4.350 0.000 0.000 0.263 316 E C -0.235 176.355 176.600 -0.017 0.000 1.137 316 E CA -0.112 56.252 56.400 -0.059 0.000 1.007 316 E CB 1.046 30.715 29.700 -0.052 0.000 1.117 316 E HN 0.488 nan 8.360 nan 0.000 0.438 317 S N 2.800 118.508 115.700 0.013 0.000 2.713 317 S HA 0.463 4.933 4.470 0.000 0.000 0.277 317 S C -0.165 174.462 174.600 0.044 0.000 1.168 317 S CA -0.472 57.791 58.200 0.107 0.000 0.994 317 S CB 0.973 64.352 63.200 0.299 0.000 1.054 317 S HN 0.486 nan 8.310 nan 0.000 0.555 318 N N -0.773 118.071 118.700 0.240 0.000 3.356 318 N HA 0.270 5.010 4.740 0.000 0.000 0.246 318 N C 0.399 176.185 175.510 0.460 0.000 1.480 318 N CA -0.408 52.726 53.050 0.140 0.000 0.877 318 N CB 0.261 38.736 38.487 -0.021 0.000 1.431 318 N HN 0.530 nan 8.380 nan 0.000 0.500 319 I N 0.498 121.265 120.570 0.328 0.000 2.439 319 I HA -0.055 4.115 4.170 0.000 0.000 0.251 319 I C 0.025 176.272 176.117 0.217 0.000 1.139 319 I CA 0.958 62.430 61.300 0.286 0.000 1.438 319 I CB -0.015 38.085 38.000 0.166 0.000 1.085 319 I HN 0.255 nan 8.210 nan 0.000 0.427 320 N N 0.774 119.550 118.700 0.126 0.000 2.262 320 N HA 0.211 4.951 4.740 0.000 0.000 0.295 320 N C -0.941 174.556 175.510 -0.020 0.000 1.161 320 N CA -0.553 52.539 53.050 0.070 0.000 0.767 320 N CB 1.458 39.978 38.487 0.054 0.000 1.499 320 N HN 0.124 nan 8.380 nan 0.000 0.476 321 E N -0.000 120.161 120.200 -0.064 0.000 2.392 321 E HA 0.507 4.857 4.350 0.000 0.000 0.256 321 E C 0.703 177.107 176.600 -0.327 0.000 1.145 321 E CA -0.538 55.707 56.400 -0.258 0.000 0.929 321 E CB 0.451 30.051 29.700 -0.167 0.000 0.998 321 E HN 0.700 nan 8.360 nan 0.000 0.442 322 G N 1.279 109.669 108.800 -0.684 0.000 2.418 322 G HA2 -0.054 3.906 3.960 0.000 0.000 0.206 322 G HA3 -0.054 3.906 3.960 0.000 0.000 0.206 322 G C -1.208 173.539 174.900 -0.255 0.000 1.202 322 G CA -0.313 44.559 45.100 -0.381 0.000 1.061 322 G HN 1.412 nan 8.290 nan 0.000 0.563 323 N N -0.410 118.220 118.700 -0.117 0.000 4.308 323 N HA 0.192 4.932 4.740 0.000 0.000 0.168 323 N C -0.145 175.322 175.510 -0.072 0.000 1.348 323 N CA 0.492 53.482 53.050 -0.100 0.000 0.882 323 N CB -0.473 37.973 38.487 -0.069 0.000 1.713 323 N HN 1.341 nan 8.380 nan 0.000 0.818 324 Q N 0.967 120.712 119.800 -0.091 0.000 2.544 324 Q HA 0.640 4.980 4.340 0.000 0.000 0.194 324 Q C 0.009 175.952 176.000 -0.095 0.000 1.104 324 Q CA -0.173 55.584 55.803 -0.075 0.000 1.131 324 Q CB 0.518 29.213 28.738 -0.071 0.000 1.210 324 Q HN 0.512 nan 8.270 nan 0.000 0.639 325 G N -0.475 108.279 108.800 -0.077 0.000 2.735 325 G HA2 0.548 4.508 3.960 0.000 0.000 0.301 325 G HA3 0.548 4.508 3.960 0.000 0.000 0.301 325 G C -0.871 173.973 174.900 -0.093 0.000 1.279 325 G CA -1.235 43.818 45.100 -0.078 0.000 1.019 325 G HN 0.604 nan 8.290 nan 0.000 0.497 326 I N 2.829 123.350 120.570 -0.082 0.000 2.316 326 I HA 0.219 4.389 4.170 0.000 0.000 0.286 326 I C -1.597 174.496 176.117 -0.039 0.000 1.107 326 I CA -1.264 59.990 61.300 -0.077 0.000 1.219 326 I CB 0.855 38.809 38.000 -0.076 0.000 1.455 326 I HN 0.235 nan 8.210 nan 0.000 0.498 327 P HA 0.201 nan 4.420 nan 0.000 0.274 327 P C 0.923 178.218 177.300 -0.008 0.000 1.246 327 P CA -0.319 62.771 63.100 -0.016 0.000 0.795 327 P CB 1.181 32.873 31.700 -0.013 0.000 1.006 328 A N 2.248 125.067 122.820 -0.002 0.000 1.935 328 A HA -0.269 4.052 4.320 0.000 0.000 0.224 328 A C 1.421 179.007 177.584 0.004 0.000 1.324 328 A CA 2.404 54.443 52.037 0.003 0.000 0.686 328 A CB -1.679 17.324 19.000 0.004 0.000 0.837 328 A HN 0.804 nan 8.150 nan 0.000 0.481 329 E N 0.341 120.543 120.200 0.003 0.000 2.888 329 E HA 0.368 4.718 4.350 0.000 0.000 0.271 329 E C 1.133 177.735 176.600 0.004 0.000 1.527 329 E CA 0.155 56.558 56.400 0.005 0.000 1.700 329 E CB -1.293 28.410 29.700 0.005 0.000 1.410 329 E HN 0.776 nan 8.360 nan 0.000 0.445 330 G N 3.100 111.902 108.800 0.003 0.000 2.700 330 G HA2 -0.457 3.503 3.960 0.000 0.000 0.350 330 G HA3 -0.457 3.503 3.960 0.000 0.000 0.350 330 G C 1.025 175.921 174.900 -0.008 0.000 1.250 330 G CA 0.887 45.988 45.100 0.002 0.000 0.978 330 G HN 0.417 nan 8.290 nan 0.000 0.551 331 K N 1.837 122.237 120.400 0.001 0.000 2.400 331 K HA 0.359 4.679 4.320 0.000 0.000 0.194 331 K C 2.746 179.349 176.600 0.006 0.000 1.033 331 K CA 1.319 57.608 56.287 0.002 0.000 1.021 331 K CB -0.433 32.073 32.500 0.011 0.000 0.808 331 K HN 0.617 nan 8.250 nan 0.000 0.505 332 A N 0.363 123.187 122.820 0.007 0.000 2.172 332 A HA 0.010 4.330 4.320 0.000 0.000 0.216 332 A C 1.404 178.994 177.584 0.010 0.000 1.154 332 A CA 1.274 53.317 52.037 0.010 0.000 0.701 332 A CB -0.231 18.774 19.000 0.009 0.000 0.789 332 A HN 0.279 nan 8.150 nan 0.000 0.465 333 G N -0.500 108.303 108.800 0.005 0.000 4.644 333 G HA2 0.496 4.456 3.960 0.000 0.000 0.307 333 G HA3 0.496 4.456 3.960 0.000 0.000 0.307 333 G C -0.573 174.328 174.900 0.002 0.000 1.331 333 G CA -0.164 44.938 45.100 0.004 0.000 1.059 333 G HN 0.136 nan 8.290 nan 0.000 0.590 334 L N -0.221 121.011 121.223 0.014 0.000 2.319 334 L HA 0.515 4.855 4.340 0.000 0.000 0.267 334 L C 0.077 176.972 176.870 0.042 0.000 1.011 334 L CA -0.886 53.965 54.840 0.019 0.000 0.818 334 L CB 1.991 44.074 42.059 0.040 0.000 1.316 334 L HN -0.006 nan 8.230 nan 0.000 0.432 335 K N 1.391 121.814 120.400 0.038 0.000 2.262 335 K HA 0.175 4.495 4.320 0.000 0.000 0.282 335 K C -0.933 175.724 176.600 0.095 0.000 1.066 335 K CA -0.444 55.881 56.287 0.063 0.000 0.901 335 K CB 0.454 32.976 32.500 0.037 0.000 1.089 335 K HN 0.414 nan 8.250 nan 0.000 0.476 336 Y N 2.448 122.746 120.300 -0.002 0.000 2.691 336 Y HA -0.049 4.501 4.550 0.000 0.000 0.359 336 Y C 1.054 176.956 175.900 0.003 0.000 1.292 336 Y CA 1.378 59.474 58.100 -0.008 0.000 1.822 336 Y CB -0.499 37.951 38.460 -0.017 0.000 1.481 336 Y HN 0.943 nan 8.280 nan 0.000 0.461 337 G N 2.683 111.427 108.800 -0.093 0.000 2.370 337 G HA2 -0.166 3.794 3.960 0.000 0.000 0.174 337 G HA3 -0.166 3.794 3.960 0.000 0.000 0.174 337 G C -0.856 174.031 174.900 -0.022 0.000 1.002 337 G CA -0.147 44.925 45.100 -0.047 0.000 0.730 337 G HN 0.449 nan 8.290 nan 0.000 0.497 338 V N 2.384 122.284 119.914 -0.024 0.000 2.333 338 V HA 0.669 4.789 4.120 0.000 0.000 0.274 338 V C 1.185 177.220 176.094 -0.097 0.000 1.028 338 V CA -0.015 62.251 62.300 -0.057 0.000 0.851 338 V CB 1.053 32.847 31.823 -0.048 0.000 1.000 338 V HN 0.526 nan 8.190 nan 0.000 0.456 339 S N 4.902 120.527 115.700 -0.126 0.000 2.549 339 S HA 0.117 4.587 4.470 0.000 0.000 0.278 339 S C 0.454 174.895 174.600 -0.265 0.000 1.344 339 S CA 0.152 58.245 58.200 -0.178 0.000 1.025 339 S CB 0.102 63.216 63.200 -0.142 0.000 0.851 339 S HN 0.817 nan 8.310 nan 0.000 0.530 340 I N 1.076 121.408 120.570 -0.397 0.000 2.998 340 I HA 0.472 4.643 4.170 0.000 0.000 0.338 340 I C -0.172 175.801 176.117 -0.240 0.000 1.413 340 I CA -0.528 60.526 61.300 -0.410 0.000 0.880 340 I CB -0.172 37.385 38.000 -0.739 0.000 2.051 340 I HN 0.678 nan 8.210 nan 0.000 0.561 341 T N -2.731 111.750 114.554 -0.123 0.000 2.641 341 T HA 0.147 4.497 4.350 0.000 0.000 0.268 341 T C -0.761 173.934 174.700 -0.008 0.000 1.567 341 T CA -0.779 61.305 62.100 -0.026 0.000 1.026 341 T CB 0.133 69.022 68.868 0.035 0.000 2.004 341 T HN 0.153 nan 8.240 nan 0.000 0.423 342 D N 1.938 122.354 120.400 0.026 0.000 2.648 342 D HA 0.352 4.992 4.640 0.000 0.000 0.229 342 D C 0.460 176.781 176.300 0.035 0.000 1.119 342 D CA 0.680 54.718 54.000 0.064 0.000 0.850 342 D CB 0.523 41.399 40.800 0.127 0.000 1.169 342 D HN 0.860 nan 8.370 nan 0.000 0.489 343 A N 3.072 125.933 122.820 0.069 0.000 2.520 343 A HA 0.188 4.508 4.320 0.000 0.000 0.245 343 A C 0.285 177.821 177.584 -0.080 0.000 1.072 343 A CA -0.272 51.768 52.037 0.005 0.000 0.761 343 A CB 0.223 19.360 19.000 0.228 0.000 1.004 343 A HN 0.662 nan 8.150 nan 0.000 0.499 344 C N 2.071 121.207 119.300 -0.273 0.000 2.345 344 C HA 0.674 5.134 4.460 0.000 0.000 0.370 344 C C 0.701 175.422 174.990 -0.448 0.000 1.209 344 C CA -0.564 58.310 59.018 -0.239 0.000 2.133 344 C CB 0.668 28.319 27.740 -0.149 0.000 2.293 344 C HN 0.820 nan 8.230 nan 0.000 0.544 345 I N 0.694 121.168 120.570 -0.161 0.000 2.499 345 I HA 0.691 4.862 4.170 0.000 0.000 0.296 345 I C 0.589 176.684 176.117 -0.037 0.000 0.992 345 I CA -0.027 61.226 61.300 -0.079 0.000 1.297 345 I CB 0.512 38.558 38.000 0.076 0.000 1.410 345 I HN 0.685 nan 8.210 nan 0.000 0.507 346 G N 3.417 112.213 108.800 -0.006 0.000 2.653 346 G HA2 -0.014 3.946 3.960 0.000 0.000 0.265 346 G HA3 -0.014 3.946 3.960 0.000 0.000 0.265 346 G C 0.243 175.239 174.900 0.160 0.000 1.237 346 G CA -0.570 44.580 45.100 0.083 0.000 0.946 346 G HN 1.065 nan 8.290 nan 0.000 0.522 347 W N 0.423 121.749 121.300 0.043 0.000 2.332 347 W HA -0.181 4.480 4.660 0.001 0.000 0.321 347 W C 2.413 178.929 176.519 -0.004 0.000 1.219 347 W CA 1.933 59.286 57.345 0.015 0.000 1.277 347 W CB 0.117 29.564 29.460 -0.021 0.000 1.161 347 W HN 0.730 nan 8.180 nan 0.000 0.476 348 E N 0.286 120.382 120.200 -0.173 0.000 2.085 348 E HA -0.231 4.119 4.350 0.000 0.000 0.194 348 E C 1.763 178.211 176.600 -0.253 0.000 0.994 348 E CA 2.380 58.622 56.400 -0.264 0.000 0.801 348 E CB -1.540 28.129 29.700 -0.051 0.000 0.743 348 E HN 0.174 nan 8.360 nan 0.000 0.453 349 T N 1.406 115.877 114.554 -0.139 0.000 2.684 349 T HA -0.141 4.209 4.350 0.000 0.000 0.267 349 T C 1.953 176.554 174.700 -0.165 0.000 1.036 349 T CA 2.494 64.536 62.100 -0.098 0.000 1.148 349 T CB -0.715 68.145 68.868 -0.015 0.000 0.863 349 T HN 0.390 nan 8.240 nan 0.000 0.436 350 T N 1.697 116.108 114.554 -0.239 0.000 2.708 350 T HA -0.115 4.235 4.350 0.000 0.000 0.266 350 T C 1.854 176.285 174.700 -0.448 0.000 1.037 350 T CA 1.315 63.238 62.100 -0.295 0.000 1.146 350 T CB -0.325 68.362 68.868 -0.301 0.000 0.865 350 T HN 0.495 nan 8.240 nan 0.000 0.435 351 E N 0.869 120.628 120.200 -0.734 0.000 2.118 351 E HA -0.203 4.147 4.350 0.000 0.000 0.195 351 E C 1.703 178.118 176.600 -0.309 0.000 0.992 351 E CA 1.384 57.413 56.400 -0.619 0.000 0.804 351 E CB -0.052 29.247 29.700 -0.669 0.000 0.741 351 E HN 0.438 nan 8.360 nan 0.000 0.458 352 D N -0.335 119.915 120.400 -0.249 0.000 2.081 352 D HA -0.168 4.472 4.640 0.000 0.000 0.194 352 D C 2.010 178.241 176.300 -0.114 0.000 0.986 352 D CA 1.675 55.588 54.000 -0.145 0.000 0.837 352 D CB -0.438 40.295 40.800 -0.112 0.000 0.985 352 D HN 0.028 nan 8.370 nan 0.000 0.448 353 V N 0.651 120.505 119.914 -0.100 0.000 2.363 353 V HA -0.270 3.850 4.120 0.000 0.000 0.254 353 V C 2.409 178.482 176.094 -0.036 0.000 1.074 353 V CA 1.473 63.746 62.300 -0.045 0.000 1.069 353 V CB -0.595 31.228 31.823 0.001 0.000 0.659 353 V HN 0.232 nan 8.190 nan 0.000 0.455 354 L N -1.300 119.872 121.223 -0.085 0.000 2.209 354 L HA 0.003 4.343 4.340 0.000 0.000 0.207 354 L C 2.789 179.620 176.870 -0.065 0.000 1.094 354 L CA 0.854 55.648 54.840 -0.075 0.000 0.790 354 L CB -0.464 41.528 42.059 -0.111 0.000 0.932 354 L HN 0.182 nan 8.230 nan 0.000 0.447 355 R N 0.626 121.079 120.500 -0.078 0.000 2.075 355 R HA -0.115 4.225 4.340 0.000 0.000 0.232 355 R C 2.164 178.438 176.300 -0.044 0.000 1.126 355 R CA 1.109 57.173 56.100 -0.060 0.000 0.963 355 R CB -0.297 29.963 30.300 -0.066 0.000 0.858 355 R HN 0.402 nan 8.270 nan 0.000 0.435 356 K N 0.537 120.911 120.400 -0.044 0.000 2.057 356 K HA -0.132 4.188 4.320 0.000 0.000 0.207 356 K C 2.075 178.661 176.600 -0.022 0.000 1.049 356 K CA 0.905 57.172 56.287 -0.034 0.000 0.931 356 K CB -0.254 32.224 32.500 -0.037 0.000 0.714 356 K HN -0.003 nan 8.250 nan 0.000 0.440 357 L N 1.136 122.350 121.223 -0.014 0.000 2.093 357 L HA -0.042 4.298 4.340 0.000 0.000 0.208 357 L C 2.191 179.051 176.870 -0.015 0.000 1.085 357 L CA 1.471 56.310 54.840 -0.001 0.000 0.755 357 L CB -0.628 41.440 42.059 0.014 0.000 0.904 357 L HN 0.114 nan 8.230 nan 0.000 0.435 358 A N -0.626 122.179 122.820 -0.024 0.000 1.898 358 A HA -0.058 4.262 4.320 0.000 0.000 0.216 358 A C 2.459 180.030 177.584 -0.021 0.000 1.181 358 A CA 1.599 53.621 52.037 -0.025 0.000 0.620 358 A CB -1.053 17.930 19.000 -0.028 0.000 0.819 358 A HN 0.508 nan 8.150 nan 0.000 0.442 359 A N 0.087 122.894 122.820 -0.022 0.000 1.865 359 A HA 0.091 4.412 4.320 0.000 0.000 0.217 359 A C 2.524 180.098 177.584 -0.017 0.000 1.191 359 A CA 2.340 54.366 52.037 -0.020 0.000 0.623 359 A CB -1.154 17.833 19.000 -0.022 0.000 0.826 359 A HN 1.141 nan 8.150 nan 0.000 0.444 360 A N -0.740 122.071 122.820 -0.015 0.000 1.978 360 A HA 0.012 4.332 4.320 0.000 0.000 0.220 360 A C 2.217 179.794 177.584 -0.011 0.000 1.170 360 A CA 1.805 53.836 52.037 -0.012 0.000 0.636 360 A CB -0.835 18.161 19.000 -0.008 0.000 0.810 360 A HN 0.400 nan 8.150 nan 0.000 0.448 361 V N -0.117 119.789 119.914 -0.014 0.000 2.307 361 V HA -0.264 3.856 4.120 0.000 0.000 0.245 361 V C 2.610 178.695 176.094 -0.015 0.000 1.045 361 V CA 2.192 64.482 62.300 -0.016 0.000 1.024 361 V CB -0.807 31.003 31.823 -0.021 0.000 0.651 361 V HN 0.542 nan 8.190 nan 0.000 0.449 362 R N -0.243 120.247 120.500 -0.015 0.000 2.083 362 R HA -0.253 4.087 4.340 0.000 0.000 0.237 362 R C 2.442 178.735 176.300 -0.011 0.000 1.137 362 R CA 1.915 58.007 56.100 -0.013 0.000 0.951 362 R CB -0.485 29.807 30.300 -0.013 0.000 0.851 362 R HN 0.409 nan 8.270 nan 0.000 0.434 363 Q N 1.196 120.990 119.800 -0.011 0.000 2.096 363 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 363 Q C 1.939 177.934 176.000 -0.008 0.000 0.982 363 Q CA 1.796 57.593 55.803 -0.010 0.000 0.850 363 Q CB -0.265 28.467 28.738 -0.010 0.000 0.901 363 Q HN 0.204 nan 8.270 nan 0.000 0.422 364 R N -0.536 119.959 120.500 -0.008 0.000 2.152 364 R HA -0.107 4.233 4.340 0.000 0.000 0.232 364 R C 2.183 178.478 176.300 -0.007 0.000 1.117 364 R CA 1.195 57.291 56.100 -0.007 0.000 0.981 364 R CB -0.022 30.273 30.300 -0.007 0.000 0.870 364 R HN 0.189 nan 8.270 nan 0.000 0.451 365 R N 0.264 120.758 120.500 -0.009 0.000 2.070 365 R HA -0.110 4.231 4.340 0.000 0.000 0.232 365 R C 2.233 178.529 176.300 -0.007 0.000 1.138 365 R CA 1.814 57.909 56.100 -0.008 0.000 0.936 365 R CB -0.154 30.140 30.300 -0.010 0.000 0.839 365 R HN 0.248 nan 8.270 nan 0.000 0.429 366 E N 0.186 120.382 120.200 -0.006 0.000 2.118 366 E HA -0.165 4.186 4.350 0.000 0.000 0.195 366 E C 2.079 178.677 176.600 -0.004 0.000 0.992 366 E CA 1.260 57.657 56.400 -0.005 0.000 0.804 366 E CB -0.156 29.540 29.700 -0.006 0.000 0.741 366 E HN 0.167 nan 8.360 nan 0.000 0.458 367 V N 2.388 122.299 119.914 -0.004 0.000 2.469 367 V HA -0.230 3.890 4.120 0.000 0.000 0.251 367 V C 1.941 178.033 176.094 -0.002 0.000 1.064 367 V CA 1.558 63.857 62.300 -0.003 0.000 1.066 367 V CB -0.450 31.372 31.823 -0.002 0.000 0.667 367 V HN 0.226 nan 8.190 nan 0.000 0.461 368 N N 0.480 119.179 118.700 -0.003 0.000 2.368 368 N HA -0.068 4.672 4.740 0.000 0.000 0.176 368 N C 1.898 177.407 175.510 -0.002 0.000 1.021 368 N CA 1.180 54.229 53.050 -0.002 0.000 0.888 368 N CB -0.032 38.453 38.487 -0.003 0.000 0.995 368 N HN 0.698 nan 8.380 nan 0.000 0.437 369 K N 0.475 120.873 120.400 -0.003 0.000 1.985 369 K HA 0.048 4.368 4.320 0.000 0.000 0.210 369 K C 0.981 177.580 176.600 -0.001 0.000 1.047 369 K CA 1.389 57.674 56.287 -0.002 0.000 0.932 369 K CB -0.094 32.404 32.500 -0.003 0.000 0.716 369 K HN 0.051 nan 8.250 nan 0.000 0.439 370 K N 0.000 120.399 120.400 -0.001 0.000 2.780 370 K HA 0.000 4.320 4.320 0.000 0.000 0.191 370 K CA 0.000 nan 56.287 nan 0.000 0.838 370 K CB 0.000 nan 32.500 nan 0.000 1.064 370 K HN 0.000 nan 8.250 nan 0.000 0.543