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_H DATA FIRST_RESID 20 DATA SEQUENCE EEDVRILGYD PLASPALLQV QIPATPTSLE TAKRGRREAI DIITGKDDRV DATA SEQUENCE LVIVGPCSIH DLEAAQEYAL RLKKLSDELK GDLSIIMRAY LEKPRTTVGW 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 NEGNQGIPAX XXAGLKYGVS ITDACIGWET TEDVLRKLAA AVRQRREVNK 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 0.006 0.000 0.812 21 E N 2.747 122.957 120.200 0.017 0.000 2.383 21 E HA 0.328 4.678 4.350 -0.000 0.000 0.275 21 E C -1.172 175.447 176.600 0.032 0.000 0.918 21 E CA -0.536 55.878 56.400 0.023 0.000 0.764 21 E CB 1.127 30.843 29.700 0.027 0.000 1.252 21 E HN 0.521 nan 8.360 nan 0.000 0.449 22 D N 1.350 121.771 120.400 0.035 0.000 2.775 22 D HA -0.146 4.494 4.640 -0.000 0.000 0.235 22 D C 0.821 177.130 176.300 0.014 0.000 1.120 22 D CA 1.115 55.138 54.000 0.037 0.000 0.708 22 D CB -1.612 39.240 40.800 0.087 0.000 1.084 22 D HN 0.260 nan 8.370 nan 0.000 0.434 23 V N -2.811 117.105 119.914 0.003 0.000 2.951 23 V HA 0.026 4.146 4.120 -0.000 0.000 0.255 23 V C 1.775 177.858 176.094 -0.019 0.000 1.088 23 V CA 0.928 63.225 62.300 -0.005 0.000 1.109 23 V CB -0.002 31.818 31.823 -0.004 0.000 0.724 23 V HN 0.194 nan 8.190 nan 0.000 0.471 24 R N 0.219 120.703 120.500 -0.027 0.000 2.468 24 R HA 0.416 4.756 4.340 -0.000 0.000 0.280 24 R C -0.353 175.905 176.300 -0.071 0.000 0.963 24 R CA -0.206 55.868 56.100 -0.044 0.000 1.083 24 R CB 0.574 30.851 30.300 -0.039 0.000 1.200 24 R HN 0.354 nan 8.270 nan 0.000 0.541 25 I N 2.153 122.677 120.570 -0.076 0.000 2.330 25 I HA 0.093 4.263 4.170 -0.000 0.000 0.286 25 I C 1.331 177.370 176.117 -0.131 0.000 1.025 25 I CA -0.244 60.970 61.300 -0.142 0.000 1.197 25 I CB 1.351 39.258 38.000 -0.156 0.000 1.358 25 I HN 0.068 nan 8.210 nan 0.000 0.467 26 L N 5.288 126.424 121.223 -0.146 0.000 2.376 26 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 26 L C 1.030 177.840 176.870 -0.101 0.000 1.133 26 L CA 0.322 55.099 54.840 -0.106 0.000 0.816 26 L CB -0.301 41.696 42.059 -0.105 0.000 0.933 26 L HN 0.834 nan 8.230 nan 0.000 0.449 27 G N -1.659 107.031 108.800 -0.184 0.000 2.350 27 G HA2 0.179 4.138 3.960 -0.000 0.000 0.305 27 G HA3 0.179 4.138 3.960 -0.000 0.000 0.305 27 G C -1.909 172.850 174.900 -0.236 0.000 1.479 27 G CA -0.900 44.134 45.100 -0.111 0.000 0.949 27 G HN -0.161 nan 8.290 nan 0.000 0.651 28 Y N 0.840 121.130 120.300 -0.016 0.000 2.335 28 Y HA 0.539 5.088 4.550 -0.000 0.000 0.338 28 Y C 0.188 176.083 175.900 -0.009 0.000 0.977 28 Y CA -0.839 57.254 58.100 -0.013 0.000 1.114 28 Y CB 1.900 40.355 38.460 -0.008 0.000 1.182 28 Y HN 0.376 nan 8.280 nan 0.000 0.463 29 D N 4.405 124.876 120.400 0.119 0.000 2.181 29 D HA 0.297 4.937 4.640 -0.000 0.000 0.248 29 D C -2.273 174.074 176.300 0.078 0.000 1.020 29 D CA -1.266 52.779 54.000 0.076 0.000 0.891 29 D CB 1.517 42.340 40.800 0.038 0.000 1.187 29 D HN 0.354 nan 8.370 nan 0.000 0.443 30 P HA 0.171 nan 4.420 nan 0.000 0.268 30 P C -0.860 176.469 177.300 0.048 0.000 1.205 30 P CA -0.469 62.660 63.100 0.049 0.000 0.771 30 P CB 0.896 32.617 31.700 0.034 0.000 0.858 31 L N 2.586 123.843 121.223 0.057 0.000 2.372 31 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 31 L C -0.180 176.748 176.870 0.097 0.000 0.989 31 L CA -0.796 54.086 54.840 0.069 0.000 0.841 31 L CB 1.277 43.385 42.059 0.081 0.000 1.225 31 L HN 0.569 nan 8.230 nan 0.000 0.414 32 A N 3.560 126.439 122.820 0.099 0.000 2.567 32 A HA 0.399 4.719 4.320 -0.000 0.000 0.240 32 A C 0.710 178.422 177.584 0.214 0.000 1.053 32 A CA 0.675 52.785 52.037 0.122 0.000 0.755 32 A CB -0.361 18.708 19.000 0.115 0.000 0.978 32 A HN 1.005 nan 8.150 nan 0.000 0.507 33 S N 2.903 118.679 115.700 0.126 0.000 2.608 33 S HA 0.366 4.836 4.470 -0.000 0.000 0.261 33 S C -1.792 172.758 174.600 -0.084 0.000 1.314 33 S CA -0.590 57.649 58.200 0.066 0.000 0.992 33 S CB 0.422 63.637 63.200 0.025 0.000 0.935 33 S HN 0.441 nan 8.310 nan 0.000 0.564 34 P HA -0.036 nan 4.420 nan 0.000 0.213 34 P C 1.754 178.920 177.300 -0.223 0.000 1.170 34 P CA 2.072 64.735 63.100 -0.729 0.000 0.898 34 P CB -0.376 30.883 31.700 -0.736 0.000 0.787 35 A N -0.725 122.030 122.820 -0.109 0.000 1.927 35 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 35 A C 2.193 179.793 177.584 0.027 0.000 1.185 35 A CA 1.865 53.898 52.037 -0.007 0.000 0.639 35 A CB -1.775 17.289 19.000 0.108 0.000 0.820 35 A HN 0.164 nan 8.150 nan 0.000 0.451 36 L N -0.961 120.285 121.223 0.038 0.000 2.027 36 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 36 L C 2.215 179.115 176.870 0.049 0.000 1.074 36 L CA 1.526 56.393 54.840 0.044 0.000 0.745 36 L CB -0.451 41.635 42.059 0.045 0.000 0.898 36 L HN 0.321 nan 8.230 nan 0.000 0.433 37 L N -0.339 120.925 121.223 0.068 0.000 2.046 37 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 37 L C 2.505 179.412 176.870 0.062 0.000 1.077 37 L CA 1.782 56.680 54.840 0.096 0.000 0.747 37 L CB -1.112 41.074 42.059 0.211 0.000 0.896 37 L HN 0.525 nan 8.230 nan 0.000 0.432 38 Q N -1.500 118.321 119.800 0.034 0.000 2.364 38 Q HA -0.138 4.202 4.340 -0.000 0.000 0.209 38 Q C 2.042 178.059 176.000 0.029 0.000 0.977 38 Q CA 0.951 56.770 55.803 0.027 0.000 0.885 38 Q CB 0.107 28.846 28.738 0.002 0.000 0.941 38 Q HN 0.392 nan 8.270 nan 0.000 0.464 39 V N 0.337 120.269 119.914 0.030 0.000 2.575 39 V HA -0.156 3.964 4.120 -0.000 0.000 0.242 39 V C 1.962 178.074 176.094 0.030 0.000 1.045 39 V CA 1.144 63.462 62.300 0.029 0.000 1.065 39 V CB -0.191 31.649 31.823 0.029 0.000 0.717 39 V HN 0.299 nan 8.190 nan 0.000 0.467 40 Q N 0.032 119.853 119.800 0.034 0.000 2.170 40 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 40 Q C 0.534 176.554 176.000 0.033 0.000 0.976 40 Q CA 1.167 56.990 55.803 0.032 0.000 0.858 40 Q CB 0.140 28.900 28.738 0.036 0.000 0.907 40 Q HN 0.506 nan 8.270 nan 0.000 0.433 41 I N 2.166 122.759 120.570 0.038 0.000 2.782 41 I HA 0.246 4.416 4.170 -0.000 0.000 0.279 41 I C -2.374 173.769 176.117 0.042 0.000 1.247 41 I CA -2.102 59.221 61.300 0.039 0.000 1.062 41 I CB 1.304 39.328 38.000 0.040 0.000 1.421 41 I HN -0.107 nan 8.210 nan 0.000 0.558 42 P HA 0.155 nan 4.420 nan 0.000 0.272 42 P C -0.396 176.931 177.300 0.045 0.000 1.223 42 P CA -0.211 62.912 63.100 0.038 0.000 0.784 42 P CB 1.435 33.154 31.700 0.031 0.000 0.923 43 A N 2.347 125.195 122.820 0.047 0.000 2.276 43 A HA 0.465 4.785 4.320 -0.000 0.000 0.300 43 A C 0.915 178.526 177.584 0.045 0.000 1.235 43 A CA -0.297 51.773 52.037 0.055 0.000 0.867 43 A CB -0.459 18.579 19.000 0.063 0.000 1.137 43 A HN 0.646 nan 8.150 nan 0.000 0.527 44 T N 1.103 115.683 114.554 0.044 0.000 2.856 44 T HA 0.262 4.612 4.350 -0.000 0.000 0.306 44 T C -1.688 173.032 174.700 0.035 0.000 1.062 44 T CA -0.815 61.306 62.100 0.035 0.000 1.083 44 T CB 0.411 69.299 68.868 0.033 0.000 0.984 44 T HN 0.328 nan 8.240 nan 0.000 0.542 45 P HA -0.024 nan 4.420 nan 0.000 0.218 45 P C 1.577 178.894 177.300 0.029 0.000 1.149 45 P CA 0.969 64.086 63.100 0.028 0.000 0.817 45 P CB -0.140 31.573 31.700 0.023 0.000 0.785 46 T N -1.129 113.442 114.554 0.028 0.000 2.737 46 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 46 T C 1.975 176.695 174.700 0.032 0.000 1.038 46 T CA 1.671 63.788 62.100 0.027 0.000 1.144 46 T CB -0.889 67.994 68.868 0.024 0.000 0.866 46 T HN 0.083 nan 8.240 nan 0.000 0.434 47 S N 1.588 117.311 115.700 0.038 0.000 2.359 47 S HA -0.027 4.443 4.470 -0.000 0.000 0.224 47 S C 2.041 176.670 174.600 0.049 0.000 1.035 47 S CA 1.059 59.286 58.200 0.046 0.000 1.018 47 S CB -0.560 62.675 63.200 0.058 0.000 0.876 47 S HN 0.371 nan 8.310 nan 0.000 0.448 48 L N 0.900 122.153 121.223 0.049 0.000 2.191 48 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 48 L C 2.654 179.552 176.870 0.047 0.000 1.103 48 L CA 1.042 55.914 54.840 0.052 0.000 0.769 48 L CB -0.467 41.621 42.059 0.048 0.000 0.908 48 L HN 0.238 nan 8.230 nan 0.000 0.438 49 E N 0.263 120.487 120.200 0.039 0.000 2.046 49 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 49 E C 2.106 178.727 176.600 0.035 0.000 0.982 49 E CA 1.646 58.067 56.400 0.035 0.000 0.800 49 E CB -0.229 29.488 29.700 0.028 0.000 0.756 49 E HN 0.228 nan 8.360 nan 0.000 0.449 50 T N 0.581 115.155 114.554 0.032 0.000 2.699 50 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 50 T C 1.795 176.513 174.700 0.031 0.000 1.036 50 T CA 1.719 63.835 62.100 0.027 0.000 1.147 50 T CB -0.515 68.367 68.868 0.023 0.000 0.862 50 T HN 0.329 nan 8.240 nan 0.000 0.446 51 A N 1.640 124.483 122.820 0.039 0.000 1.902 51 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 51 A C 2.290 179.915 177.584 0.067 0.000 1.181 51 A CA 1.353 53.419 52.037 0.048 0.000 0.623 51 A CB -0.351 18.688 19.000 0.064 0.000 0.818 51 A HN 0.409 nan 8.150 nan 0.000 0.443 52 K N -0.858 119.582 120.400 0.066 0.000 2.148 52 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 52 K C 2.338 178.975 176.600 0.061 0.000 1.050 52 K CA 1.157 57.487 56.287 0.072 0.000 0.942 52 K CB -0.148 32.388 32.500 0.061 0.000 0.724 52 K HN 0.477 nan 8.250 nan 0.000 0.446 53 R N 0.753 121.280 120.500 0.045 0.000 2.062 53 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 53 R C 2.385 178.706 176.300 0.035 0.000 1.136 53 R CA 1.719 57.840 56.100 0.034 0.000 0.948 53 R CB -0.608 29.707 30.300 0.025 0.000 0.845 53 R HN 0.256 nan 8.270 nan 0.000 0.430 54 G N 0.880 109.701 108.800 0.036 0.000 2.505 54 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 54 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 54 G C 1.417 176.352 174.900 0.058 0.000 1.145 54 G CA 0.998 46.119 45.100 0.035 0.000 0.761 54 G HN 0.368 nan 8.290 nan 0.000 0.571 55 R N -0.151 120.402 120.500 0.089 0.000 2.096 55 R HA 0.040 4.380 4.340 -0.000 0.000 0.235 55 R C 2.787 179.140 176.300 0.088 0.000 1.127 55 R CA 0.951 57.130 56.100 0.132 0.000 0.968 55 R CB -0.267 30.141 30.300 0.179 0.000 0.861 55 R HN 0.305 nan 8.270 nan 0.000 0.440 56 R N 0.902 121.437 120.500 0.059 0.000 2.062 56 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 56 R C 2.189 178.488 176.300 -0.001 0.000 1.136 56 R CA 1.429 57.548 56.100 0.031 0.000 0.948 56 R CB -0.186 30.132 30.300 0.030 0.000 0.845 56 R HN 0.334 nan 8.270 nan 0.000 0.430 57 E N 0.578 120.778 120.200 -0.000 0.000 2.038 57 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 57 E C 2.075 178.649 176.600 -0.044 0.000 1.000 57 E CA 1.327 57.714 56.400 -0.022 0.000 0.803 57 E CB -0.179 29.511 29.700 -0.018 0.000 0.750 57 E HN 0.350 nan 8.360 nan 0.000 0.448 58 A N 1.217 124.021 122.820 -0.027 0.000 1.908 58 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 58 A C 2.195 179.728 177.584 -0.086 0.000 1.181 58 A CA 1.379 53.389 52.037 -0.046 0.000 0.627 58 A CB -0.710 18.318 19.000 0.048 0.000 0.818 58 A HN 0.173 nan 8.150 nan 0.000 0.445 59 I N -0.225 120.293 120.570 -0.087 0.000 2.226 59 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 59 I C 1.890 177.893 176.117 -0.191 0.000 1.100 59 I CA 1.494 62.658 61.300 -0.227 0.000 1.374 59 I CB -0.497 37.327 38.000 -0.294 0.000 1.057 59 I HN 0.283 nan 8.210 nan 0.000 0.413 60 D N 1.013 121.345 120.400 -0.114 0.000 2.117 60 D HA -0.135 4.504 4.640 -0.000 0.000 0.197 60 D C 2.289 178.535 176.300 -0.089 0.000 0.987 60 D CA 1.386 55.335 54.000 -0.084 0.000 0.829 60 D CB -0.141 40.628 40.800 -0.052 0.000 0.961 60 D HN 0.348 nan 8.370 nan 0.000 0.460 61 I N 1.369 121.876 120.570 -0.104 0.000 2.179 61 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 61 I C 2.579 178.608 176.117 -0.146 0.000 1.088 61 I CA 0.874 62.104 61.300 -0.117 0.000 1.357 61 I CB -0.331 37.589 38.000 -0.133 0.000 1.051 61 I HN 0.018 nan 8.210 nan 0.000 0.409 62 I N -0.901 119.550 120.570 -0.198 0.000 2.830 62 I HA -0.136 4.034 4.170 -0.000 0.000 0.263 62 I C 2.139 178.191 176.117 -0.108 0.000 1.230 62 I CA 1.513 62.679 61.300 -0.223 0.000 1.480 62 I CB -0.601 37.188 38.000 -0.352 0.000 1.095 62 I HN 0.189 nan 8.210 nan 0.000 0.455 63 T N -2.567 111.932 114.554 -0.092 0.000 3.107 63 T HA 0.463 4.813 4.350 -0.000 0.000 0.249 63 T C 1.550 176.236 174.700 -0.023 0.000 1.096 63 T CA 0.315 62.392 62.100 -0.038 0.000 1.012 63 T CB 0.316 69.158 68.868 -0.043 0.000 0.977 63 T HN 0.703 nan 8.240 nan 0.000 0.527 64 G N 1.735 110.512 108.800 -0.039 0.000 2.175 64 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 64 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 64 G C 0.801 175.687 174.900 -0.023 0.000 0.982 64 G CA 0.318 45.403 45.100 -0.025 0.000 0.641 64 G HN 0.541 nan 8.290 nan 0.000 0.527 65 K N -0.180 120.203 120.400 -0.028 0.000 2.366 65 K HA 0.146 4.466 4.320 -0.000 0.000 0.198 65 K C 0.387 176.972 176.600 -0.025 0.000 1.044 65 K CA 0.895 57.169 56.287 -0.022 0.000 0.973 65 K CB 0.186 32.673 32.500 -0.021 0.000 0.767 65 K HN 0.406 nan 8.250 nan 0.000 0.475 66 D N 0.103 120.482 120.400 -0.035 0.000 2.646 66 D HA 0.024 4.664 4.640 -0.000 0.000 0.245 66 D C -0.547 175.731 176.300 -0.037 0.000 1.099 66 D CA -0.727 53.253 54.000 -0.034 0.000 0.849 66 D CB 1.604 42.380 40.800 -0.040 0.000 1.448 66 D HN 0.040 nan 8.370 nan 0.000 0.489 67 D N 1.268 121.651 120.400 -0.029 0.000 2.349 67 D HA 0.037 4.677 4.640 -0.000 0.000 0.224 67 D C 0.409 176.690 176.300 -0.032 0.000 1.029 67 D CA 0.122 54.106 54.000 -0.027 0.000 0.879 67 D CB 0.257 41.045 40.800 -0.019 0.000 0.906 67 D HN 0.046 nan 8.370 nan 0.000 0.528 68 R N -0.107 120.370 120.500 -0.039 0.000 2.652 68 R HA 0.519 4.859 4.340 -0.000 0.000 0.271 68 R C -0.648 175.617 176.300 -0.057 0.000 1.129 68 R CA -0.735 55.339 56.100 -0.043 0.000 1.200 68 R CB 1.109 31.384 30.300 -0.043 0.000 1.146 68 R HN -0.024 nan 8.270 nan 0.000 0.581 69 V N 2.237 122.115 119.914 -0.061 0.000 2.417 69 V HA 0.161 4.281 4.120 -0.000 0.000 0.291 69 V C -0.567 175.466 176.094 -0.101 0.000 1.024 69 V CA -0.833 61.421 62.300 -0.077 0.000 0.861 69 V CB 1.593 33.382 31.823 -0.058 0.000 0.985 69 V HN 0.403 nan 8.190 nan 0.000 0.436 70 L N 7.101 128.240 121.223 -0.141 0.000 2.361 70 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 70 L C -0.276 176.482 176.870 -0.187 0.000 1.113 70 L CA 0.617 55.351 54.840 -0.176 0.000 0.849 70 L CB 1.066 42.976 42.059 -0.249 0.000 1.155 70 L HN 0.448 nan 8.230 nan 0.000 0.452 71 V N 7.201 127.015 119.914 -0.167 0.000 2.349 71 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 71 V C -0.158 175.833 176.094 -0.171 0.000 1.014 71 V CA -0.612 61.588 62.300 -0.167 0.000 0.826 71 V CB 1.429 33.183 31.823 -0.114 0.000 1.009 71 V HN 0.485 nan 8.190 nan 0.000 0.431 72 I N 5.979 126.414 120.570 -0.225 0.000 2.282 72 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 72 I C -0.044 175.996 176.117 -0.128 0.000 1.090 72 I CA -0.063 61.121 61.300 -0.192 0.000 1.231 72 I CB 1.018 38.853 38.000 -0.275 0.000 1.434 72 I HN 0.348 nan 8.210 nan 0.000 0.487 73 V N 5.806 125.687 119.914 -0.056 0.000 2.735 73 V HA 1.031 5.151 4.120 -0.000 0.000 0.310 73 V C -0.050 176.075 176.094 0.053 0.000 1.061 73 V CA 0.109 62.403 62.300 -0.011 0.000 0.913 73 V CB 1.847 33.693 31.823 0.039 0.000 1.005 73 V HN 0.966 nan 8.190 nan 0.000 0.428 74 G N 5.097 113.892 108.800 -0.008 0.000 2.337 74 G HA2 0.328 4.288 3.960 -0.000 0.000 0.298 74 G HA3 0.328 4.288 3.960 -0.000 0.000 0.298 74 G C -3.515 171.225 174.900 -0.267 0.000 1.335 74 G CA -0.634 44.368 45.100 -0.163 0.000 0.875 74 G HN 0.671 nan 8.290 nan 0.000 0.579 75 P HA 0.104 nan 4.420 nan 0.000 0.270 75 P C 1.276 178.478 177.300 -0.164 0.000 1.216 75 P CA 0.127 63.072 63.100 -0.258 0.000 0.788 75 P CB 0.660 32.213 31.700 -0.244 0.000 0.883 76 C N 0.881 120.123 119.300 -0.097 0.000 2.440 76 C HA 0.030 4.490 4.460 -0.000 0.000 0.278 76 C C 0.698 175.724 174.990 0.060 0.000 1.295 76 C CA 1.572 60.570 59.018 -0.034 0.000 1.738 76 C CB -1.504 26.247 27.740 0.019 0.000 1.987 76 C HN 0.740 nan 8.230 nan 0.000 0.492 77 S N 0.040 115.807 115.700 0.112 0.000 2.556 77 S HA 0.549 5.019 4.470 -0.000 0.000 0.280 77 S C -1.262 173.506 174.600 0.280 0.000 1.141 77 S CA -0.816 57.545 58.200 0.269 0.000 0.883 77 S CB 0.484 63.932 63.200 0.414 0.000 1.103 77 S HN 0.193 nan 8.310 nan 0.000 0.453 78 I N 4.509 125.272 120.570 0.322 0.000 2.396 78 I HA 0.394 4.563 4.170 -0.000 0.000 0.292 78 I C 1.194 177.586 176.117 0.459 0.000 0.999 78 I CA -0.257 61.214 61.300 0.285 0.000 1.310 78 I CB 0.590 38.709 38.000 0.198 0.000 1.404 78 I HN 1.113 nan 8.210 nan 0.000 0.496 79 H N 2.256 121.369 119.070 0.073 0.000 3.680 79 H HA 0.266 4.822 4.556 -0.000 0.000 0.260 79 H C -0.670 174.645 175.328 -0.021 0.000 1.183 79 H CA -0.247 55.801 56.048 0.001 0.000 1.159 79 H CB 0.982 30.335 29.762 -0.682 0.000 1.567 79 H HN 0.526 nan 8.280 nan 0.000 0.648 80 D N 1.471 121.539 120.400 -0.553 0.000 2.469 80 D HA 0.161 4.801 4.640 -0.000 0.000 0.251 80 D C 0.544 176.750 176.300 -0.156 0.000 1.173 80 D CA -0.527 53.217 54.000 -0.426 0.000 0.882 80 D CB 1.721 42.154 40.800 -0.613 0.000 1.129 80 D HN 0.017 nan 8.370 nan 0.000 0.549 81 L N 3.350 124.538 121.223 -0.059 0.000 2.275 81 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 81 L C 1.887 178.763 176.870 0.010 0.000 1.119 81 L CA 1.372 56.212 54.840 0.001 0.000 0.790 81 L CB -0.103 41.970 42.059 0.024 0.000 0.919 81 L HN 0.372 nan 8.230 nan 0.000 0.443 82 E N -0.724 119.480 120.200 0.007 0.000 2.042 82 E HA 0.002 4.352 4.350 -0.000 0.000 0.189 82 E C 2.365 179.019 176.600 0.091 0.000 0.974 82 E CA 1.162 57.589 56.400 0.046 0.000 0.806 82 E CB -0.711 29.017 29.700 0.048 0.000 0.769 82 E HN 0.323 nan 8.360 nan 0.000 0.451 83 A N 1.233 124.116 122.820 0.105 0.000 1.940 83 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 83 A C 2.343 179.919 177.584 -0.013 0.000 1.176 83 A CA 2.071 54.138 52.037 0.051 0.000 0.631 83 A CB -0.881 17.984 19.000 -0.225 0.000 0.814 83 A HN 0.259 nan 8.150 nan 0.000 0.446 84 A N -1.315 121.490 122.820 -0.025 0.000 2.015 84 A HA -0.130 4.189 4.320 -0.000 0.000 0.219 84 A C 2.104 179.718 177.584 0.050 0.000 1.163 84 A CA 1.980 54.013 52.037 -0.007 0.000 0.646 84 A CB -0.356 18.643 19.000 -0.001 0.000 0.806 84 A HN 0.526 nan 8.150 nan 0.000 0.448 85 Q N 0.025 119.853 119.800 0.047 0.000 2.137 85 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 85 Q C 1.899 177.917 176.000 0.029 0.000 0.960 85 Q CA 1.899 57.728 55.803 0.043 0.000 0.847 85 Q CB -0.285 28.475 28.738 0.036 0.000 0.915 85 Q HN 0.763 nan 8.270 nan 0.000 0.448 86 E N -1.262 118.963 120.200 0.040 0.000 2.051 86 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 86 E C 1.750 178.298 176.600 -0.087 0.000 0.991 86 E CA 1.199 57.600 56.400 0.001 0.000 0.799 86 E CB -0.369 29.382 29.700 0.085 0.000 0.748 86 E HN 0.506 nan 8.360 nan 0.000 0.449 87 Y N 0.820 121.006 120.300 -0.191 0.000 2.128 87 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 87 Y C 2.085 177.818 175.900 -0.278 0.000 1.154 87 Y CA 1.925 59.846 58.100 -0.298 0.000 1.149 87 Y CB -0.647 37.700 38.460 -0.188 0.000 0.976 87 Y HN 0.169 nan 8.280 nan 0.000 0.505 88 A N 0.239 123.119 122.820 0.100 0.000 1.940 88 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 88 A C 2.207 179.743 177.584 -0.080 0.000 1.176 88 A CA 1.720 53.789 52.037 0.054 0.000 0.631 88 A CB -0.982 18.060 19.000 0.069 0.000 0.814 88 A HN 0.485 nan 8.150 nan 0.000 0.446 89 L N -0.338 120.816 121.223 -0.116 0.000 1.994 89 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 89 L C 2.694 179.444 176.870 -0.200 0.000 1.071 89 L CA 2.011 56.777 54.840 -0.123 0.000 0.745 89 L CB -1.440 40.555 42.059 -0.106 0.000 0.892 89 L HN 0.465 nan 8.230 nan 0.000 0.431 90 R N -0.531 119.728 120.500 -0.401 0.000 2.097 90 R HA -0.231 4.109 4.340 -0.000 0.000 0.236 90 R C 2.094 178.188 176.300 -0.343 0.000 1.135 90 R CA 1.388 57.150 56.100 -0.563 0.000 0.934 90 R CB -0.870 28.592 30.300 -1.397 0.000 0.846 90 R HN 0.164 nan 8.270 nan 0.000 0.431 91 L N 1.688 122.622 121.223 -0.481 0.000 2.187 91 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 91 L C 2.137 179.046 176.870 0.064 0.000 1.100 91 L CA 1.794 56.659 54.840 0.042 0.000 0.765 91 L CB -0.387 41.679 42.059 0.013 0.000 0.904 91 L HN -0.017 nan 8.230 nan 0.000 0.437 92 K N 0.157 120.549 120.400 -0.014 0.000 2.007 92 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 92 K C 2.183 178.796 176.600 0.021 0.000 1.047 92 K CA 1.873 58.165 56.287 0.008 0.000 0.937 92 K CB -0.365 32.129 32.500 -0.010 0.000 0.718 92 K HN 0.312 nan 8.250 nan 0.000 0.438 93 K N 0.488 120.895 120.400 0.013 0.000 1.977 93 K HA -0.182 4.138 4.320 -0.000 0.000 0.218 93 K C 2.130 178.763 176.600 0.055 0.000 1.051 93 K CA 2.004 58.307 56.287 0.027 0.000 0.953 93 K CB -0.664 31.850 32.500 0.023 0.000 0.727 93 K HN 0.259 nan 8.250 nan 0.000 0.445 94 L N 0.913 122.199 121.223 0.106 0.000 2.123 94 L HA -0.302 4.038 4.340 -0.000 0.000 0.217 94 L C 2.463 179.367 176.870 0.056 0.000 1.081 94 L CA 1.989 56.892 54.840 0.105 0.000 0.772 94 L CB -0.444 41.731 42.059 0.193 0.000 0.890 94 L HN 0.389 nan 8.230 nan 0.000 0.437 95 S N -0.833 114.903 115.700 0.060 0.000 2.419 95 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 95 S C 1.486 176.096 174.600 0.017 0.000 1.016 95 S CA 1.503 59.723 58.200 0.033 0.000 0.974 95 S CB -0.289 62.932 63.200 0.036 0.000 0.786 95 S HN 0.544 nan 8.310 nan 0.000 0.492 96 D N 0.788 121.199 120.400 0.019 0.000 2.277 96 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 96 D C 1.827 178.131 176.300 0.007 0.000 0.962 96 D CA 0.661 54.667 54.000 0.011 0.000 0.865 96 D CB -0.083 40.724 40.800 0.011 0.000 0.939 96 D HN 0.642 nan 8.370 nan 0.000 0.510 97 E N 0.525 120.730 120.200 0.009 0.000 2.072 97 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 97 E C 1.931 178.528 176.600 -0.004 0.000 0.982 97 E CA 0.575 56.977 56.400 0.003 0.000 0.803 97 E CB 0.075 29.777 29.700 0.004 0.000 0.755 97 E HN 0.293 nan 8.360 nan 0.000 0.453 98 L N 0.905 122.124 121.223 -0.006 0.000 2.592 98 L HA 0.141 4.481 4.340 -0.000 0.000 0.227 98 L C 2.226 179.089 176.870 -0.012 0.000 1.127 98 L CA -0.049 54.783 54.840 -0.013 0.000 0.884 98 L CB -0.271 41.777 42.059 -0.020 0.000 1.065 98 L HN 0.014 nan 8.230 nan 0.000 0.457 99 K N 2.102 122.498 120.400 -0.007 0.000 2.117 99 K HA -0.231 4.089 4.320 -0.000 0.000 0.215 99 K C 1.428 178.021 176.600 -0.012 0.000 1.053 99 K CA 1.941 58.223 56.287 -0.008 0.000 0.935 99 K CB -0.379 32.119 32.500 -0.003 0.000 0.719 99 K HN 0.408 nan 8.250 nan 0.000 0.460 100 G N -0.471 108.322 108.800 -0.011 0.000 3.530 100 G HA2 0.061 4.021 3.960 -0.000 0.000 0.269 100 G HA3 0.061 4.021 3.960 -0.000 0.000 0.269 100 G C -0.236 174.654 174.900 -0.016 0.000 1.314 100 G CA 0.236 45.328 45.100 -0.013 0.000 1.441 100 G HN 0.555 nan 8.290 nan 0.000 0.595 101 D N -1.433 118.955 120.400 -0.020 0.000 1.948 101 D HA 0.011 4.651 4.640 -0.000 0.000 0.376 101 D C -0.308 175.974 176.300 -0.031 0.000 1.209 101 D CA -0.098 53.888 54.000 -0.024 0.000 1.207 101 D CB 0.050 40.837 40.800 -0.021 0.000 1.980 101 D HN 0.042 nan 8.370 nan 0.000 0.471 102 L N 1.467 122.671 121.223 -0.031 0.000 2.313 102 L HA 0.539 4.879 4.340 -0.000 0.000 0.283 102 L C -0.360 176.486 176.870 -0.040 0.000 1.013 102 L CA -0.670 54.146 54.840 -0.040 0.000 0.816 102 L CB 1.558 43.594 42.059 -0.038 0.000 1.236 102 L HN 0.003 nan 8.230 nan 0.000 0.419 103 S N 4.694 120.362 115.700 -0.054 0.000 2.415 103 S HA 0.559 5.029 4.470 -0.000 0.000 0.313 103 S C 0.084 174.649 174.600 -0.060 0.000 1.067 103 S CA -0.492 57.677 58.200 -0.052 0.000 1.099 103 S CB -0.407 62.755 63.200 -0.063 0.000 0.991 103 S HN 0.417 nan 8.310 nan 0.000 0.491 104 I N 5.149 125.696 120.570 -0.037 0.000 2.612 104 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 104 I C -0.119 175.982 176.117 -0.026 0.000 1.011 104 I CA -0.557 60.724 61.300 -0.031 0.000 1.326 104 I CB 1.170 39.171 38.000 0.002 0.000 1.427 104 I HN 0.506 nan 8.210 nan 0.000 0.537 105 I N 5.143 125.696 120.570 -0.028 0.000 2.627 105 I HA 0.232 4.402 4.170 -0.000 0.000 0.288 105 I C -0.420 175.702 176.117 0.008 0.000 1.202 105 I CA -0.444 60.845 61.300 -0.017 0.000 1.050 105 I CB 2.034 40.008 38.000 -0.043 0.000 1.264 105 I HN 0.588 nan 8.210 nan 0.000 0.429 106 M N 5.188 124.806 119.600 0.030 0.000 2.226 106 M HA 0.369 4.849 4.480 -0.000 0.000 0.324 106 M C -0.243 176.075 176.300 0.030 0.000 1.112 106 M CA 0.176 55.510 55.300 0.057 0.000 1.176 106 M CB 0.732 33.379 32.600 0.079 0.000 1.430 106 M HN 0.494 nan 8.290 nan 0.000 0.462 107 R N 2.986 123.488 120.500 0.003 0.000 2.204 107 R HA 0.422 4.762 4.340 -0.000 0.000 0.341 107 R C -0.875 175.448 176.300 0.038 0.000 1.035 107 R CA -0.189 55.904 56.100 -0.011 0.000 0.887 107 R CB 0.606 30.779 30.300 -0.212 0.000 1.114 107 R HN 0.732 nan 8.270 nan 0.000 0.473 108 A N 4.555 127.466 122.820 0.151 0.000 3.232 108 A HA 0.236 4.556 4.320 -0.000 0.000 0.312 108 A C -0.998 176.811 177.584 0.375 0.000 1.185 108 A CA -0.475 51.651 52.037 0.148 0.000 1.011 108 A CB 0.119 19.043 19.000 -0.127 0.000 1.096 108 A HN 0.526 nan 8.150 nan 0.000 0.543 109 Y N 1.066 121.428 120.300 0.103 0.000 2.335 109 Y HA 0.215 4.764 4.550 -0.000 0.000 0.331 109 Y C 1.180 177.173 175.900 0.154 0.000 1.094 109 Y CA -1.070 57.106 58.100 0.127 0.000 1.253 109 Y CB 0.885 39.405 38.460 0.100 0.000 1.203 109 Y HN 0.354 nan 8.280 nan 0.000 0.508 110 L N 1.791 123.142 121.223 0.213 0.000 2.209 110 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 110 L C 0.428 177.277 176.870 -0.035 0.000 1.094 110 L CA 1.103 56.008 54.840 0.108 0.000 0.790 110 L CB -0.850 41.214 42.059 0.008 0.000 0.932 110 L HN 0.692 nan 8.230 nan 0.000 0.447 111 E N -0.310 119.875 120.200 -0.026 0.000 2.287 111 E HA 0.218 4.568 4.350 -0.000 0.000 0.274 111 E C -0.525 176.090 176.600 0.025 0.000 0.896 111 E CA -0.719 55.606 56.400 -0.124 0.000 0.788 111 E CB 1.923 31.491 29.700 -0.219 0.000 1.244 111 E HN -0.174 nan 8.360 nan 0.000 0.408 112 K N 3.823 124.279 120.400 0.094 0.000 2.350 112 K HA 0.169 4.489 4.320 -0.000 0.000 0.279 112 K C -2.083 174.551 176.600 0.056 0.000 1.027 112 K CA -1.566 54.799 56.287 0.130 0.000 0.969 112 K CB 0.302 32.901 32.500 0.165 0.000 0.954 112 K HN 0.367 nan 8.250 nan 0.000 0.474 113 P HA -0.134 nan 4.420 nan 0.000 0.243 113 P C -0.458 176.844 177.300 0.003 0.000 1.107 113 P CA 0.389 63.487 63.100 -0.003 0.000 0.848 113 P CB 0.018 31.698 31.700 -0.033 0.000 0.771 114 R N 2.761 123.257 120.500 -0.008 0.000 2.485 114 R HA -0.030 4.310 4.340 -0.000 0.000 0.304 114 R C 1.077 177.381 176.300 0.007 0.000 0.934 114 R CA 1.043 57.143 56.100 -0.001 0.000 1.102 114 R CB -0.474 29.818 30.300 -0.014 0.000 0.906 114 R HN 0.299 nan 8.270 nan 0.000 0.407 115 T N 1.725 116.293 114.554 0.022 0.000 3.170 115 T HA 0.090 4.440 4.350 -0.000 0.000 0.288 115 T C -0.589 174.128 174.700 0.028 0.000 0.992 115 T CA 0.438 62.551 62.100 0.023 0.000 0.909 115 T CB 0.029 68.915 68.868 0.030 0.000 1.133 115 T HN 0.789 nan 8.240 nan 0.000 0.530 116 T N 0.766 115.340 114.554 0.032 0.000 0.541 116 T HA -0.148 4.202 4.350 -0.000 0.000 0.774 116 T C -0.332 174.397 174.700 0.048 0.000 0.992 116 T CA 0.313 62.436 62.100 0.038 0.000 4.077 116 T CB -0.789 68.096 68.868 0.028 0.000 2.303 116 T HN 0.804 nan 8.240 nan 0.000 0.398 117 V N 2.244 122.192 119.914 0.055 0.000 5.702 117 V HA -0.015 4.105 4.120 -0.000 0.000 0.268 117 V C 1.347 177.480 176.094 0.066 0.000 0.689 117 V CA 2.212 64.547 62.300 0.058 0.000 0.965 117 V CB -1.712 30.137 31.823 0.043 0.000 1.107 117 V HN 1.872 nan 8.190 nan 0.000 0.434 118 G N 2.218 111.072 108.800 0.090 0.000 3.206 118 G HA2 0.304 4.264 3.960 -0.000 0.000 0.111 118 G HA3 0.304 4.264 3.960 -0.000 0.000 0.111 118 G C -0.943 174.087 174.900 0.217 0.000 1.043 118 G CA 0.431 45.602 45.100 0.119 0.000 1.273 118 G HN 1.425 nan 8.290 nan 0.000 0.502 119 W N 2.375 123.663 121.300 -0.020 0.000 3.423 119 W HA 0.620 5.280 4.660 -0.000 0.000 0.330 119 W C 0.541 177.052 176.519 -0.013 0.000 1.102 119 W CA -1.032 56.292 57.345 -0.034 0.000 1.261 119 W CB 1.315 30.745 29.460 -0.049 0.000 1.283 119 W HN 0.175 nan 8.180 nan 0.000 0.447 120 K N 3.190 123.411 120.400 -0.299 0.000 2.160 120 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 120 K C 1.093 177.313 176.600 -0.635 0.000 1.047 120 K CA 1.635 57.717 56.287 -0.341 0.000 0.930 120 K CB -0.555 31.817 32.500 -0.213 0.000 0.720 120 K HN 0.844 nan 8.250 nan 0.000 0.450 121 G N -0.218 107.709 108.800 -1.454 0.000 2.298 121 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.309 121 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.309 121 G C -0.192 173.875 174.900 -1.389 0.000 1.279 121 G CA -0.257 43.902 45.100 -1.568 0.000 1.042 121 G HN 0.072 nan 8.290 nan 0.000 0.480 122 L N 0.364 121.215 121.223 -0.620 0.000 2.253 122 L HA 0.472 4.812 4.340 -0.000 0.000 0.205 122 L C 2.766 179.553 176.870 -0.138 0.000 1.078 122 L CA 1.374 56.133 54.840 -0.136 0.000 0.805 122 L CB -0.483 41.617 42.059 0.068 0.000 0.963 122 L HN 0.630 nan 8.230 nan 0.000 0.459 123 I N -0.126 120.333 120.570 -0.185 0.000 2.142 123 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 123 I C 2.062 178.099 176.117 -0.134 0.000 1.078 123 I CA 1.259 62.463 61.300 -0.159 0.000 1.343 123 I CB -0.531 37.366 38.000 -0.172 0.000 1.046 123 I HN 0.358 nan 8.210 nan 0.000 0.405 124 N N 0.490 119.097 118.700 -0.154 0.000 2.039 124 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 124 N C 0.732 176.174 175.510 -0.113 0.000 1.044 124 N CA 1.474 54.480 53.050 -0.073 0.000 0.847 124 N CB -0.349 38.113 38.487 -0.041 0.000 1.030 124 N HN 0.292 nan 8.380 nan 0.000 0.422 125 D N 0.823 121.088 120.400 -0.226 0.000 2.517 125 D HA 0.186 4.826 4.640 -0.000 0.000 0.301 125 D C -1.872 174.453 176.300 0.041 0.000 1.202 125 D CA -1.988 51.902 54.000 -0.183 0.000 0.910 125 D CB 1.030 41.654 40.800 -0.292 0.000 1.021 125 D HN 0.034 nan 8.370 nan 0.000 0.499 126 P HA -0.082 nan 4.420 nan 0.000 0.223 126 P C 0.499 177.881 177.300 0.138 0.000 1.151 126 P CA 0.813 63.989 63.100 0.127 0.000 0.787 126 P CB 0.339 32.066 31.700 0.046 0.000 0.788 127 D N 0.196 120.644 120.400 0.080 0.000 2.347 127 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 127 D C 0.423 176.765 176.300 0.070 0.000 0.976 127 D CA 0.080 54.112 54.000 0.053 0.000 0.884 127 D CB -0.548 40.261 40.800 0.015 0.000 0.915 127 D HN -0.050 nan 8.370 nan 0.000 0.526 128 V N 2.705 122.708 119.914 0.149 0.000 5.842 128 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 128 V C -0.168 175.951 176.094 0.043 0.000 0.667 128 V CA 1.046 63.432 62.300 0.142 0.000 0.844 128 V CB -2.086 29.752 31.823 0.025 0.000 0.924 128 V HN 0.738 nan 8.190 nan 0.000 0.443 129 N N 0.684 119.397 118.700 0.021 0.000 3.403 129 N HA 0.025 4.765 4.740 -0.000 0.000 0.154 129 N C -0.014 175.460 175.510 -0.060 0.000 1.072 129 N CA 0.123 53.164 53.050 -0.015 0.000 2.513 129 N CB -0.718 37.763 38.487 -0.011 0.000 1.437 129 N HN 0.522 nan 8.380 nan 0.000 0.744 130 N N -0.486 118.153 118.700 -0.102 0.000 2.696 130 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 130 N C -1.126 174.189 175.510 -0.325 0.000 1.090 130 N CA 1.851 54.785 53.050 -0.192 0.000 0.716 130 N CB -0.820 37.650 38.487 -0.029 0.000 1.020 130 N HN 0.673 nan 8.380 nan 0.000 0.548 131 T N -0.469 113.825 114.554 -0.433 0.000 2.949 131 T HA 0.660 5.010 4.350 -0.000 0.000 0.287 131 T C -0.382 173.926 174.700 -0.655 0.000 1.034 131 T CA -0.336 61.583 62.100 -0.302 0.000 1.018 131 T CB 0.872 69.685 68.868 -0.092 0.000 1.135 131 T HN 0.059 nan 8.240 nan 0.000 0.532 132 F N 2.135 122.083 119.950 -0.003 0.000 2.691 132 F HA 0.379 4.906 4.527 -0.000 0.000 0.371 132 F C 0.453 176.238 175.800 -0.024 0.000 1.159 132 F CA -1.122 56.865 58.000 -0.022 0.000 1.174 132 F CB 0.488 39.468 39.000 -0.034 0.000 1.419 132 F HN 0.333 nan 8.300 nan 0.000 0.514 133 N N 3.794 122.535 118.700 0.068 0.000 3.194 133 N HA 0.157 4.897 4.740 -0.000 0.000 0.271 133 N C 1.205 176.721 175.510 0.009 0.000 1.308 133 N CA -0.038 53.035 53.050 0.039 0.000 1.042 133 N CB 0.234 38.731 38.487 0.017 0.000 1.310 133 N HN 0.384 nan 8.380 nan 0.000 0.502 134 I N 0.790 121.368 120.570 0.014 0.000 2.248 134 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 134 I C 1.792 177.864 176.117 -0.075 0.000 1.107 134 I CA 0.879 62.156 61.300 -0.039 0.000 1.373 134 I CB -0.712 37.263 38.000 -0.042 0.000 1.055 134 I HN 0.425 nan 8.210 nan 0.000 0.418 135 N N 1.093 119.767 118.700 -0.044 0.000 2.084 135 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 135 N C 1.902 177.388 175.510 -0.040 0.000 1.030 135 N CA 1.223 54.247 53.050 -0.043 0.000 0.849 135 N CB -0.248 38.234 38.487 -0.007 0.000 1.012 135 N HN 0.442 nan 8.380 nan 0.000 0.423 136 K N 0.636 121.022 120.400 -0.023 0.000 2.211 136 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 136 K C 1.924 178.505 176.600 -0.032 0.000 1.050 136 K CA 1.087 57.364 56.287 -0.017 0.000 0.945 136 K CB -0.195 32.303 32.500 -0.003 0.000 0.732 136 K HN 0.111 nan 8.250 nan 0.000 0.451 137 G N 1.463 110.232 108.800 -0.050 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 1.443 176.277 174.900 -0.109 0.000 1.171 137 G CA 0.579 45.637 45.100 -0.070 0.000 0.775 137 G HN 0.209 nan 8.290 nan 0.000 0.543 138 L N -0.003 121.129 121.223 -0.151 0.000 2.131 138 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 138 L C 3.148 179.948 176.870 -0.116 0.000 1.092 138 L CA 0.980 55.698 54.840 -0.203 0.000 0.759 138 L CB -0.385 41.478 42.059 -0.326 0.000 0.903 138 L HN 0.320 nan 8.230 nan 0.000 0.435 139 Q N -0.652 119.109 119.800 -0.064 0.000 2.046 139 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 139 Q C 2.447 178.429 176.000 -0.031 0.000 0.975 139 Q CA 1.745 57.532 55.803 -0.026 0.000 0.836 139 Q CB -0.084 28.651 28.738 -0.006 0.000 0.896 139 Q HN 0.438 nan 8.270 nan 0.000 0.428 140 S N 1.153 116.834 115.700 -0.031 0.000 2.348 140 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 140 S C 2.103 176.678 174.600 -0.041 0.000 1.033 140 S CA 1.028 59.221 58.200 -0.013 0.000 1.010 140 S CB -0.471 62.734 63.200 0.008 0.000 0.891 140 S HN 0.502 nan 8.310 nan 0.000 0.442 141 A N 2.247 125.001 122.820 -0.110 0.000 1.852 141 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 141 A C 2.125 179.503 177.584 -0.344 0.000 1.215 141 A CA 2.038 53.921 52.037 -0.256 0.000 0.641 141 A CB -0.851 17.943 19.000 -0.342 0.000 0.838 141 A HN 0.424 nan 8.150 nan 0.000 0.450 142 R N -1.162 119.183 120.500 -0.258 0.000 2.091 142 R HA -0.244 4.096 4.340 -0.000 0.000 0.238 142 R C 2.497 178.792 176.300 -0.009 0.000 1.136 142 R CA 2.102 58.111 56.100 -0.150 0.000 0.959 142 R CB -0.304 29.972 30.300 -0.041 0.000 0.856 142 R HN 0.628 nan 8.270 nan 0.000 0.437 143 Q N 0.838 120.642 119.800 0.006 0.000 2.030 143 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 143 Q C 1.997 178.053 176.000 0.092 0.000 0.986 143 Q CA 1.910 57.742 55.803 0.047 0.000 0.843 143 Q CB -0.569 28.189 28.738 0.034 0.000 0.904 143 Q HN 0.359 nan 8.270 nan 0.000 0.420 144 L N -0.385 120.901 121.223 0.106 0.000 1.956 144 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 144 L C 2.024 179.078 176.870 0.307 0.000 1.073 144 L CA 2.030 56.981 54.840 0.186 0.000 0.762 144 L CB -1.034 41.157 42.059 0.220 0.000 0.889 144 L HN 0.280 nan 8.230 nan 0.000 0.433 145 F N -0.579 119.396 119.950 0.041 0.000 2.147 145 F HA -0.231 4.296 4.527 -0.000 0.000 0.301 145 F C 2.496 178.319 175.800 0.039 0.000 1.084 145 F CA 1.483 59.507 58.000 0.040 0.000 1.268 145 F CB -1.477 37.547 39.000 0.040 0.000 1.009 145 F HN -0.008 nan 8.300 nan 0.000 0.486 146 V N 0.260 120.317 119.914 0.237 0.000 2.307 146 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 146 V C 2.249 178.405 176.094 0.103 0.000 1.045 146 V CA 1.840 64.225 62.300 0.141 0.000 1.024 146 V CB -0.678 31.207 31.823 0.104 0.000 0.651 146 V HN 0.313 nan 8.190 nan 0.000 0.449 147 N N 0.504 119.264 118.700 0.101 0.000 2.061 147 N HA -0.164 4.575 4.740 -0.000 0.000 0.193 147 N C 1.845 177.393 175.510 0.064 0.000 1.030 147 N CA 1.661 54.755 53.050 0.073 0.000 0.856 147 N CB -0.422 38.108 38.487 0.071 0.000 1.023 147 N HN 0.396 nan 8.380 nan 0.000 0.424 148 L N 0.759 122.026 121.223 0.074 0.000 1.988 148 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 148 L C 2.653 179.541 176.870 0.031 0.000 1.071 148 L CA 1.761 56.628 54.840 0.045 0.000 0.744 148 L CB -1.365 40.711 42.059 0.027 0.000 0.893 148 L HN 0.296 nan 8.230 nan 0.000 0.433 149 T N -3.169 111.404 114.554 0.031 0.000 2.977 149 T HA -0.189 4.161 4.350 -0.000 0.000 0.271 149 T C 1.520 176.241 174.700 0.034 0.000 1.105 149 T CA 1.562 63.677 62.100 0.025 0.000 1.116 149 T CB -0.606 68.284 68.868 0.035 0.000 0.878 149 T HN 0.237 nan 8.240 nan 0.000 0.509 150 N N 1.869 120.594 118.700 0.041 0.000 2.331 150 N HA 0.020 4.760 4.740 -0.000 0.000 0.180 150 N C 1.480 177.005 175.510 0.026 0.000 1.019 150 N CA 0.922 53.994 53.050 0.036 0.000 0.881 150 N CB -0.496 38.015 38.487 0.040 0.000 0.972 150 N HN 0.820 nan 8.380 nan 0.000 0.435 151 I N -4.120 116.464 120.570 0.023 0.000 3.855 151 I HA 0.467 4.637 4.170 -0.000 0.000 0.327 151 I C 0.875 177.001 176.117 0.014 0.000 1.359 151 I CA 0.129 61.438 61.300 0.016 0.000 1.142 151 I CB -0.252 37.755 38.000 0.011 0.000 1.041 151 I HN 0.058 nan 8.210 nan 0.000 0.403 152 G N 2.059 110.869 108.800 0.017 0.000 2.136 152 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 152 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 152 G C -0.314 174.594 174.900 0.013 0.000 0.989 152 G CA 0.281 45.390 45.100 0.015 0.000 0.682 152 G HN 0.446 nan 8.290 nan 0.000 0.522 153 L N 1.586 122.817 121.223 0.013 0.000 2.276 153 L HA 0.697 5.037 4.340 -0.000 0.000 0.286 153 L C -1.995 174.875 176.870 0.001 0.000 1.024 153 L CA -2.569 52.278 54.840 0.013 0.000 0.826 153 L CB 1.114 43.186 42.059 0.021 0.000 1.211 153 L HN -0.120 nan 8.230 nan 0.000 0.422 154 P HA 0.263 nan 4.420 nan 0.000 0.270 154 P C -0.952 176.324 177.300 -0.041 0.000 1.223 154 P CA 0.042 63.132 63.100 -0.017 0.000 0.785 154 P CB 0.559 32.257 31.700 -0.003 0.000 0.923 155 I N -2.316 118.197 120.570 -0.094 0.000 2.828 155 I HA 0.891 5.061 4.170 -0.000 0.000 0.302 155 I C -0.354 175.685 176.117 -0.130 0.000 1.101 155 I CA -1.069 60.141 61.300 -0.151 0.000 1.031 155 I CB 2.568 40.354 38.000 -0.357 0.000 1.231 155 I HN 0.315 nan 8.210 nan 0.000 0.427 156 G N 1.562 110.352 108.800 -0.016 0.000 2.524 156 G HA2 0.660 4.620 3.960 -0.000 0.000 0.310 156 G HA3 0.660 4.620 3.960 -0.000 0.000 0.310 156 G C -1.607 173.349 174.900 0.093 0.000 1.279 156 G CA -0.582 44.607 45.100 0.148 0.000 0.974 156 G HN 0.723 nan 8.290 nan 0.000 0.484 157 S N -0.562 115.052 115.700 -0.143 0.000 2.618 157 S HA 0.513 4.983 4.470 -0.000 0.000 0.277 157 S C -1.181 173.034 174.600 -0.642 0.000 1.138 157 S CA -0.661 57.334 58.200 -0.342 0.000 0.844 157 S CB 2.003 65.152 63.200 -0.085 0.000 1.127 157 S HN 0.632 nan 8.310 nan 0.000 0.474 158 E N 2.059 121.698 120.200 -0.936 0.000 2.200 158 E HA 0.238 4.588 4.350 -0.000 0.000 0.283 158 E C -0.546 175.887 176.600 -0.278 0.000 1.015 158 E CA -0.564 55.461 56.400 -0.626 0.000 0.819 158 E CB 0.508 29.836 29.700 -0.621 0.000 1.081 158 E HN 0.476 nan 8.360 nan 0.000 0.397 159 M N 6.670 126.168 119.600 -0.169 0.000 2.775 159 M HA 0.027 4.507 4.480 -0.000 0.000 0.313 159 M C 0.592 176.911 176.300 0.031 0.000 1.429 159 M CA -0.059 55.214 55.300 -0.044 0.000 1.494 159 M CB -0.295 32.297 32.600 -0.013 0.000 1.274 159 M HN 0.599 nan 8.290 nan 0.000 0.491 160 L N 1.371 122.596 121.223 0.004 0.000 1.943 160 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 160 L C 0.974 177.919 176.870 0.126 0.000 1.074 160 L CA 1.887 56.756 54.840 0.049 0.000 0.759 160 L CB -1.616 40.435 42.059 -0.012 0.000 0.888 160 L HN 0.509 nan 8.230 nan 0.000 0.433 161 D N -2.596 117.812 120.400 0.013 0.000 2.666 161 D HA 0.221 4.861 4.640 -0.000 0.000 0.252 161 D C 0.720 176.946 176.300 -0.124 0.000 1.143 161 D CA 0.108 54.074 54.000 -0.058 0.000 1.096 161 D CB 0.248 41.034 40.800 -0.024 0.000 1.260 161 D HN 0.074 nan 8.370 nan 0.000 0.633 162 T N -2.935 111.551 114.554 -0.114 0.000 3.186 162 T HA 0.343 4.693 4.350 -0.000 0.000 0.257 162 T C 0.970 175.693 174.700 0.039 0.000 1.029 162 T CA -0.160 61.895 62.100 -0.076 0.000 0.916 162 T CB -0.667 68.144 68.868 -0.094 0.000 1.041 162 T HN 0.432 nan 8.240 nan 0.000 0.562 163 I N -0.261 120.343 120.570 0.057 0.000 3.739 163 I HA 0.087 4.257 4.170 -0.000 0.000 0.272 163 I C 2.367 178.612 176.117 0.214 0.000 1.167 163 I CA -0.061 61.320 61.300 0.135 0.000 1.386 163 I CB -0.141 37.942 38.000 0.139 0.000 1.490 163 I HN 0.115 nan 8.210 nan 0.000 0.452 164 S N 1.971 117.747 115.700 0.127 0.000 2.392 164 S HA -0.139 4.331 4.470 -0.000 0.000 0.232 164 S C -0.696 174.010 174.600 0.176 0.000 1.041 164 S CA 1.874 60.139 58.200 0.109 0.000 1.026 164 S CB -1.357 61.838 63.200 -0.008 0.000 0.845 164 S HN 0.269 nan 8.310 nan 0.000 0.465 165 P HA -0.104 nan 4.420 nan 0.000 0.216 165 P C 1.552 178.943 177.300 0.150 0.000 1.150 165 P CA 0.956 64.145 63.100 0.149 0.000 0.837 165 P CB -0.057 31.711 31.700 0.113 0.000 0.786 166 Q N -1.801 118.073 119.800 0.122 0.000 2.226 166 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 166 Q C 1.664 177.637 176.000 -0.046 0.000 0.975 166 Q CA 1.491 57.300 55.803 0.010 0.000 0.866 166 Q CB -0.606 28.086 28.738 -0.077 0.000 0.915 166 Q HN 0.469 nan 8.270 nan 0.000 0.440 167 Y N -0.897 119.408 120.300 0.010 0.000 2.544 167 Y HA 0.017 4.567 4.550 -0.000 0.000 0.286 167 Y C 1.628 177.517 175.900 -0.018 0.000 1.141 167 Y CA 0.556 58.648 58.100 -0.012 0.000 1.299 167 Y CB 0.470 38.903 38.460 -0.046 0.000 1.030 167 Y HN -0.003 nan 8.280 nan 0.000 0.543 168 L N -2.873 118.447 121.223 0.161 0.000 3.284 168 L HA 0.362 4.702 4.340 -0.000 0.000 0.294 168 L C 2.122 179.144 176.870 0.253 0.000 1.183 168 L CA 0.467 55.402 54.840 0.158 0.000 1.056 168 L CB -0.368 41.710 42.059 0.032 0.000 1.513 168 L HN -0.083 nan 8.230 nan 0.000 0.601 169 A N 1.637 124.601 122.820 0.241 0.000 1.940 169 A HA -0.303 4.016 4.320 -0.000 0.000 0.221 169 A C 1.944 179.706 177.584 0.296 0.000 1.190 169 A CA 2.454 54.690 52.037 0.331 0.000 0.647 169 A CB -0.724 18.419 19.000 0.238 0.000 0.821 169 A HN 0.645 nan 8.150 nan 0.000 0.457 170 D N -0.186 120.329 120.400 0.191 0.000 2.311 170 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 170 D C 1.480 177.874 176.300 0.156 0.000 0.972 170 D CA 1.239 55.330 54.000 0.153 0.000 0.887 170 D CB -0.346 40.514 40.800 0.101 0.000 0.915 170 D HN 0.550 nan 8.370 nan 0.000 0.497 171 L N 0.181 121.514 121.223 0.183 0.000 2.664 171 L HA 0.173 4.513 4.340 -0.000 0.000 0.233 171 L C 0.482 177.391 176.870 0.064 0.000 1.113 171 L CA -0.186 54.744 54.840 0.150 0.000 0.896 171 L CB 1.042 43.237 42.059 0.227 0.000 1.163 171 L HN -0.196 nan 8.230 nan 0.000 0.497 172 V N -0.090 119.848 119.914 0.040 0.000 2.546 172 V HA 0.117 4.237 4.120 -0.000 0.000 0.284 172 V C 1.004 176.932 176.094 -0.277 0.000 1.050 172 V CA 0.285 62.448 62.300 -0.228 0.000 0.981 172 V CB 1.647 33.209 31.823 -0.435 0.000 0.990 172 V HN 0.185 nan 8.190 nan 0.000 0.474 173 S N 3.520 119.071 115.700 -0.248 0.000 2.497 173 S HA 0.279 4.749 4.470 -0.000 0.000 0.218 173 S C -0.126 174.447 174.600 -0.046 0.000 1.023 173 S CA 0.131 58.291 58.200 -0.067 0.000 0.913 173 S CB 0.266 63.476 63.200 0.017 0.000 0.800 173 S HN 0.615 nan 8.310 nan 0.000 0.505 174 F N 1.143 120.855 119.950 -0.398 0.000 2.581 174 F HA 0.689 5.216 4.527 -0.000 0.000 0.311 174 F C -0.544 175.018 175.800 -0.397 0.000 1.113 174 F CA -0.683 57.170 58.000 -0.244 0.000 0.935 174 F CB 1.263 40.242 39.000 -0.036 0.000 1.232 174 F HN -0.013 nan 8.300 nan 0.000 0.445 175 G N 2.968 110.999 108.800 -1.281 0.000 2.617 175 G HA2 0.745 4.705 3.960 -0.000 0.000 0.306 175 G HA3 0.745 4.705 3.960 -0.000 0.000 0.306 175 G C -2.089 172.116 174.900 -1.158 0.000 1.360 175 G CA -0.677 43.853 45.100 -0.948 0.000 0.983 175 G HN 1.039 nan 8.290 nan 0.000 0.496 176 A N 2.416 124.781 122.820 -0.758 0.000 2.343 176 A HA 0.694 5.014 4.320 -0.000 0.000 0.308 176 A C -0.495 176.912 177.584 -0.295 0.000 1.092 176 A CA -0.600 51.160 52.037 -0.460 0.000 0.751 176 A CB 1.013 19.982 19.000 -0.052 0.000 1.203 176 A HN 0.563 nan 8.150 nan 0.000 0.452 177 I N 2.918 123.302 120.570 -0.310 0.000 2.371 177 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 177 I C 1.352 177.435 176.117 -0.057 0.000 1.028 177 I CA 0.118 61.327 61.300 -0.152 0.000 1.345 177 I CB 0.407 38.364 38.000 -0.072 0.000 1.407 177 I HN 0.796 nan 8.210 nan 0.000 0.501 178 G N 4.287 113.049 108.800 -0.064 0.000 2.732 178 G HA2 0.217 4.177 3.960 -0.000 0.000 0.244 178 G HA3 0.217 4.177 3.960 -0.000 0.000 0.244 178 G C 0.971 175.856 174.900 -0.024 0.000 1.226 178 G CA 0.240 45.317 45.100 -0.039 0.000 0.860 178 G HN 0.796 nan 8.290 nan 0.000 0.583 179 A N 0.090 122.898 122.820 -0.021 0.000 1.969 179 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 179 A C 2.234 179.797 177.584 -0.034 0.000 1.169 179 A CA 1.013 53.045 52.037 -0.008 0.000 0.635 179 A CB -0.135 18.862 19.000 -0.005 0.000 0.810 179 A HN 0.629 nan 8.150 nan 0.000 0.445 180 R N -0.083 120.380 120.500 -0.062 0.000 2.325 180 R HA 0.046 4.386 4.340 -0.000 0.000 0.214 180 R C 0.623 176.847 176.300 -0.127 0.000 0.961 180 R CA 1.110 57.164 56.100 -0.077 0.000 1.086 180 R CB -0.204 30.055 30.300 -0.070 0.000 1.037 180 R HN 0.650 nan 8.270 nan 0.000 0.493 181 T N -5.974 108.482 114.554 -0.162 0.000 3.080 181 T HA 0.060 4.410 4.350 -0.000 0.000 0.280 181 T C 1.524 176.129 174.700 -0.157 0.000 0.926 181 T CA -0.227 61.698 62.100 -0.292 0.000 0.883 181 T CB 0.448 68.891 68.868 -0.709 0.000 1.194 181 T HN -0.153 nan 8.240 nan 0.000 0.541 182 T N 2.783 117.310 114.554 -0.044 0.000 2.778 182 T HA -0.093 4.256 4.350 -0.000 0.000 0.269 182 T C 1.631 176.272 174.700 -0.098 0.000 1.050 182 T CA 1.668 63.775 62.100 0.011 0.000 1.137 182 T CB -0.233 68.657 68.868 0.037 0.000 0.860 182 T HN 0.551 nan 8.240 nan 0.000 0.468 183 E N 0.726 120.875 120.200 -0.084 0.000 2.299 183 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 183 E C 0.962 177.518 176.600 -0.074 0.000 0.998 183 E CA -0.147 56.200 56.400 -0.088 0.000 0.851 183 E CB 0.135 29.796 29.700 -0.065 0.000 0.795 183 E HN 0.193 nan 8.360 nan 0.000 0.492 184 S N 1.178 116.846 115.700 -0.054 0.000 2.509 184 S HA -0.082 4.388 4.470 -0.000 0.000 0.287 184 S C 0.974 175.575 174.600 0.002 0.000 1.248 184 S CA -0.221 57.978 58.200 -0.002 0.000 1.089 184 S CB 0.880 64.117 63.200 0.061 0.000 0.900 184 S HN 0.139 nan 8.310 nan 0.000 0.496 185 Q N 4.763 124.539 119.800 -0.041 0.000 2.077 185 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 185 Q C 1.739 177.656 176.000 -0.138 0.000 0.989 185 Q CA 2.149 57.893 55.803 -0.098 0.000 0.853 185 Q CB -0.519 28.168 28.738 -0.085 0.000 0.907 185 Q HN 0.807 nan 8.270 nan 0.000 0.418 186 L N -0.102 121.062 121.223 -0.098 0.000 2.081 186 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 186 L C 1.646 178.330 176.870 -0.309 0.000 1.080 186 L CA 2.206 56.921 54.840 -0.207 0.000 0.754 186 L CB -0.639 41.337 42.059 -0.139 0.000 0.893 186 L HN 0.406 nan 8.230 nan 0.000 0.433 187 H N -1.537 117.442 119.070 -0.151 0.000 2.535 187 H HA 0.115 4.671 4.556 -0.000 0.000 0.273 187 H C 2.231 177.538 175.328 -0.035 0.000 0.983 187 H CA 0.801 56.793 56.048 -0.093 0.000 1.238 187 H CB 0.077 29.834 29.762 -0.009 0.000 1.412 187 H HN 0.299 nan 8.280 nan 0.000 0.562 188 R N 0.458 120.963 120.500 0.007 0.000 2.062 188 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 188 R C 1.795 178.012 176.300 -0.139 0.000 1.125 188 R CA 1.277 57.371 56.100 -0.011 0.000 0.966 188 R CB 0.037 30.244 30.300 -0.155 0.000 0.861 188 R HN 0.473 nan 8.270 nan 0.000 0.433 189 E N 0.911 120.878 120.200 -0.387 0.000 2.077 189 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 189 E C 1.983 178.363 176.600 -0.367 0.000 0.989 189 E CA 0.952 57.065 56.400 -0.478 0.000 0.800 189 E CB -0.161 29.177 29.700 -0.603 0.000 0.746 189 E HN 0.114 nan 8.360 nan 0.000 0.452 190 L N 1.125 122.049 121.223 -0.497 0.000 2.042 190 L HA -0.170 4.169 4.340 -0.000 0.000 0.210 190 L C 2.248 179.037 176.870 -0.136 0.000 1.076 190 L CA 2.027 56.637 54.840 -0.383 0.000 0.749 190 L CB -0.416 41.419 42.059 -0.373 0.000 0.893 190 L HN 0.056 nan 8.230 nan 0.000 0.432 191 A N -0.875 121.909 122.820 -0.060 0.000 1.930 191 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 191 A C 2.370 179.963 177.584 0.015 0.000 1.175 191 A CA 1.500 53.525 52.037 -0.021 0.000 0.627 191 A CB -1.092 17.959 19.000 0.086 0.000 0.815 191 A HN 0.662 nan 8.150 nan 0.000 0.443 192 S N -1.149 114.608 115.700 0.094 0.000 2.584 192 S HA 0.190 4.660 4.470 -0.000 0.000 0.240 192 S C 1.229 175.888 174.600 0.099 0.000 0.975 192 S CA 1.056 59.349 58.200 0.156 0.000 0.949 192 S CB -0.319 63.103 63.200 0.370 0.000 0.761 192 S HN 0.794 nan 8.310 nan 0.000 0.536 193 G N 0.124 108.953 108.800 0.048 0.000 3.651 193 G HA2 0.402 4.362 3.960 -0.000 0.000 0.267 193 G HA3 0.402 4.362 3.960 -0.000 0.000 0.267 193 G C 0.020 174.862 174.900 -0.097 0.000 1.009 193 G CA -0.483 44.632 45.100 0.024 0.000 0.866 193 G HN 0.405 nan 8.290 nan 0.000 0.488 194 L N 1.171 122.265 121.223 -0.215 0.000 2.436 194 L HA 0.249 4.588 4.340 -0.000 0.000 0.265 194 L C 1.045 177.581 176.870 -0.557 0.000 1.168 194 L CA -0.346 54.189 54.840 -0.507 0.000 0.815 194 L CB 1.577 43.171 42.059 -0.775 0.000 1.109 194 L HN -0.016 nan 8.230 nan 0.000 0.462 195 S N 1.878 117.170 115.700 -0.679 0.000 2.743 195 S HA 0.227 4.697 4.470 -0.000 0.000 0.230 195 S C -0.411 174.093 174.600 -0.160 0.000 0.950 195 S CA -0.151 57.861 58.200 -0.314 0.000 0.976 195 S CB -0.650 62.489 63.200 -0.101 0.000 0.779 195 S HN 0.455 nan 8.310 nan 0.000 0.487 196 F N -1.758 118.234 119.950 0.070 0.000 2.789 196 F HA 0.700 5.227 4.527 -0.000 0.000 0.319 196 F C -3.518 172.368 175.800 0.142 0.000 1.168 196 F CA -3.417 54.652 58.000 0.115 0.000 0.934 196 F CB -0.189 38.863 39.000 0.086 0.000 1.375 196 F HN -0.358 nan 8.300 nan 0.000 0.480 197 P HA 0.378 nan 4.420 nan 0.000 0.276 197 P C -1.100 176.425 177.300 0.375 0.000 1.230 197 P CA -0.242 63.164 63.100 0.511 0.000 0.776 197 P CB 1.376 33.437 31.700 0.602 0.000 0.888 198 V N 3.290 123.279 119.914 0.125 0.000 2.487 198 V HA 0.635 4.755 4.120 -0.000 0.000 0.298 198 V C 0.622 176.318 176.094 -0.662 0.000 1.028 198 V CA -0.466 61.658 62.300 -0.293 0.000 0.860 198 V CB 1.825 33.426 31.823 -0.370 0.000 0.991 198 V HN 0.699 nan 8.190 nan 0.000 0.427 199 G N 3.466 111.763 108.800 -0.839 0.000 2.335 199 G HA2 0.630 4.590 3.960 -0.000 0.000 0.316 199 G HA3 0.630 4.590 3.960 -0.000 0.000 0.316 199 G C -1.125 173.390 174.900 -0.642 0.000 1.129 199 G CA -0.265 44.197 45.100 -1.063 0.000 0.899 199 G HN 0.388 nan 8.290 nan 0.000 0.448 200 F N 1.677 121.469 119.950 -0.263 0.000 2.405 200 F HA 0.379 4.906 4.527 -0.000 0.000 0.355 200 F C 1.016 176.789 175.800 -0.045 0.000 1.121 200 F CA -0.545 57.388 58.000 -0.111 0.000 1.112 200 F CB 1.826 40.781 39.000 -0.074 0.000 1.126 200 F HN 0.172 nan 8.300 nan 0.000 0.481 201 K N 3.591 124.089 120.400 0.164 0.000 2.185 201 K HA 0.173 4.493 4.320 -0.000 0.000 0.271 201 K C 0.226 176.895 176.600 0.115 0.000 1.013 201 K CA -0.756 55.609 56.287 0.129 0.000 0.943 201 K CB 0.668 33.230 32.500 0.102 0.000 0.998 201 K HN 0.678 nan 8.250 nan 0.000 0.468 202 N N 0.348 119.109 118.700 0.100 0.000 2.415 202 N HA -0.011 4.729 4.740 -0.000 0.000 0.248 202 N C 0.267 175.807 175.510 0.049 0.000 1.271 202 N CA -0.385 52.708 53.050 0.072 0.000 0.913 202 N CB 0.322 38.852 38.487 0.072 0.000 1.129 202 N HN 0.558 nan 8.380 nan 0.000 0.444 203 G N -0.405 108.411 108.800 0.028 0.000 2.464 203 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.231 203 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.231 203 G C 1.265 176.177 174.900 0.020 0.000 1.267 203 G CA 0.175 45.283 45.100 0.014 0.000 0.863 203 G HN 0.754 nan 8.290 nan 0.000 0.559 204 T N -1.427 113.134 114.554 0.011 0.000 3.098 204 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 204 T C 1.045 175.755 174.700 0.017 0.000 1.145 204 T CA 1.270 63.379 62.100 0.015 0.000 1.092 204 T CB -0.017 68.853 68.868 0.004 0.000 0.908 204 T HN 0.631 nan 8.240 nan 0.000 0.526 205 D N 0.398 120.805 120.400 0.013 0.000 2.615 205 D HA 0.266 4.905 4.640 -0.000 0.000 0.236 205 D C 1.484 177.793 176.300 0.014 0.000 1.233 205 D CA 0.076 54.083 54.000 0.011 0.000 0.829 205 D CB -0.401 40.402 40.800 0.005 0.000 1.024 205 D HN 0.429 nan 8.370 nan 0.000 0.490 206 G N 1.322 110.136 108.800 0.022 0.000 2.270 206 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.268 206 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.268 206 G C 0.656 175.570 174.900 0.023 0.000 0.982 206 G CA 1.005 46.120 45.100 0.025 0.000 0.628 206 G HN 0.679 nan 8.290 nan 0.000 0.544 207 T N -1.388 113.176 114.554 0.018 0.000 2.913 207 T HA 0.567 4.917 4.350 -0.000 0.000 0.297 207 T C 1.037 175.750 174.700 0.022 0.000 1.029 207 T CA 0.147 62.256 62.100 0.015 0.000 1.104 207 T CB 2.107 70.979 68.868 0.007 0.000 0.964 207 T HN 0.659 nan 8.240 nan 0.000 0.532 208 L N 1.360 122.597 121.223 0.024 0.000 2.693 208 L HA 0.355 4.695 4.340 -0.000 0.000 0.235 208 L C 1.495 178.377 176.870 0.020 0.000 1.127 208 L CA 0.553 55.412 54.840 0.033 0.000 0.914 208 L CB -0.696 41.389 42.059 0.043 0.000 1.193 208 L HN 0.601 nan 8.230 nan 0.000 0.502 209 N N -0.309 118.395 118.700 0.007 0.000 2.106 209 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 209 N C 1.936 177.430 175.510 -0.026 0.000 1.029 209 N CA 1.898 54.945 53.050 -0.006 0.000 0.848 209 N CB -0.572 37.910 38.487 -0.008 0.000 1.007 209 N HN 0.339 nan 8.380 nan 0.000 0.423 210 V N -1.357 118.537 119.914 -0.034 0.000 2.392 210 V HA -0.089 4.030 4.120 -0.000 0.000 0.249 210 V C 2.115 178.144 176.094 -0.108 0.000 1.059 210 V CA 1.795 64.055 62.300 -0.067 0.000 1.051 210 V CB -1.313 30.477 31.823 -0.056 0.000 0.658 210 V HN 0.281 nan 8.190 nan 0.000 0.455 211 A N 0.024 122.808 122.820 -0.059 0.000 1.968 211 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 211 A C 2.341 179.882 177.584 -0.072 0.000 1.169 211 A CA 1.744 53.747 52.037 -0.056 0.000 0.638 211 A CB -0.664 18.375 19.000 0.065 0.000 0.812 211 A HN 0.424 nan 8.150 nan 0.000 0.446 212 V N 0.670 120.567 119.914 -0.029 0.000 2.515 212 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 212 V C 1.880 177.942 176.094 -0.053 0.000 1.058 212 V CA 2.123 64.420 62.300 -0.005 0.000 1.064 212 V CB -0.599 31.234 31.823 0.018 0.000 0.675 212 V HN 0.527 nan 8.190 nan 0.000 0.461 213 D N 0.357 120.699 120.400 -0.097 0.000 2.183 213 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 213 D C 2.212 178.385 176.300 -0.213 0.000 0.969 213 D CA 1.345 55.274 54.000 -0.118 0.000 0.842 213 D CB -0.076 40.660 40.800 -0.106 0.000 0.957 213 D HN 0.446 nan 8.370 nan 0.000 0.484 214 A N 0.867 123.450 122.820 -0.395 0.000 1.858 214 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 214 A C 2.556 179.769 177.584 -0.617 0.000 1.190 214 A CA 1.289 52.843 52.037 -0.805 0.000 0.617 214 A CB -1.033 16.949 19.000 -1.696 0.000 0.827 214 A HN 0.328 nan 8.150 nan 0.000 0.443 215 C N -0.683 118.410 119.300 -0.344 0.000 2.413 215 C HA -0.134 4.326 4.460 -0.000 0.000 0.276 215 C C 2.937 177.979 174.990 0.087 0.000 1.248 215 C CA 1.170 60.236 59.018 0.080 0.000 1.742 215 C CB -1.229 26.617 27.740 0.176 0.000 2.017 215 C HN 0.599 nan 8.230 nan 0.000 0.481 216 Q N 0.808 120.624 119.800 0.026 0.000 2.061 216 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 216 Q C 2.568 178.634 176.000 0.111 0.000 0.984 216 Q CA 2.134 57.981 55.803 0.073 0.000 0.846 216 Q CB -0.885 27.864 28.738 0.018 0.000 0.902 216 Q HN 0.741 nan 8.270 nan 0.000 0.421 217 A N 1.248 124.082 122.820 0.025 0.000 1.858 217 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 217 A C 2.344 180.104 177.584 0.292 0.000 1.190 217 A CA 2.007 54.096 52.037 0.086 0.000 0.617 217 A CB -0.846 18.143 19.000 -0.019 0.000 0.827 217 A HN 0.379 nan 8.150 nan 0.000 0.443 218 A N -0.380 122.566 122.820 0.210 0.000 2.131 218 A HA 0.152 4.472 4.320 -0.000 0.000 0.220 218 A C 2.285 180.022 177.584 0.255 0.000 1.158 218 A CA 1.897 54.102 52.037 0.279 0.000 0.665 218 A CB -0.753 18.457 19.000 0.350 0.000 0.795 218 A HN 1.064 nan 8.150 nan 0.000 0.460 219 A N -1.108 121.861 122.820 0.248 0.000 2.014 219 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 219 A C 1.076 178.725 177.584 0.108 0.000 1.163 219 A CA 0.666 52.805 52.037 0.170 0.000 0.652 219 A CB -0.392 18.709 19.000 0.168 0.000 0.808 219 A HN 0.604 nan 8.150 nan 0.000 0.449 220 H N -0.788 118.289 119.070 0.012 0.000 2.534 220 H HA 0.478 5.034 4.556 -0.000 0.000 0.364 220 H C 0.461 175.635 175.328 -0.256 0.000 1.328 220 H CA 0.090 56.061 56.048 -0.128 0.000 1.415 220 H CB 0.636 30.280 29.762 -0.196 0.000 1.573 220 H HN 0.166 nan 8.280 nan 0.000 0.601 221 S N 0.734 116.331 115.700 -0.172 0.000 2.537 221 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 221 S C -0.902 173.505 174.600 -0.322 0.000 1.272 221 S CA -0.570 57.539 58.200 -0.151 0.000 1.050 221 S CB -0.012 63.159 63.200 -0.048 0.000 0.961 221 S HN 0.522 nan 8.310 nan 0.000 0.496 222 H N 2.314 121.486 119.070 0.171 0.000 2.797 222 H HA 0.375 4.931 4.556 -0.000 0.000 0.372 222 H C -1.168 174.287 175.328 0.212 0.000 1.168 222 H CA -0.559 55.624 56.048 0.226 0.000 1.163 222 H CB 1.445 31.350 29.762 0.240 0.000 1.778 222 H HN 0.709 nan 8.280 nan 0.000 0.551 223 H N 1.477 120.717 119.070 0.283 0.000 2.786 223 H HA 0.245 4.801 4.556 -0.000 0.000 0.284 223 H C -0.830 174.618 175.328 0.200 0.000 1.104 223 H CA -0.418 55.710 56.048 0.133 0.000 1.339 223 H CB 0.072 29.876 29.762 0.070 0.000 1.427 223 H HN 0.377 nan 8.280 nan 0.000 0.497 224 F N -0.043 119.944 119.950 0.061 0.000 2.654 224 F HA 0.647 5.174 4.527 -0.000 0.000 0.334 224 F C -0.855 174.950 175.800 0.008 0.000 1.078 224 F CA -1.544 56.478 58.000 0.037 0.000 0.986 224 F CB 1.368 40.371 39.000 0.004 0.000 1.362 224 F HN 0.057 nan 8.300 nan 0.000 0.498 225 M N 2.026 121.758 119.600 0.220 0.000 2.080 225 M HA 0.549 5.029 4.480 -0.000 0.000 0.350 225 M C 0.043 176.451 176.300 0.179 0.000 1.173 225 M CA -0.141 55.209 55.300 0.083 0.000 1.052 225 M CB 0.980 33.632 32.600 0.086 0.000 1.577 225 M HN 0.982 nan 8.290 nan 0.000 0.455 226 G N 1.791 110.601 108.800 0.017 0.000 3.176 226 G HA2 0.772 4.732 3.960 -0.000 0.000 0.272 226 G HA3 0.772 4.732 3.960 -0.000 0.000 0.272 226 G C -1.299 173.617 174.900 0.026 0.000 1.349 226 G CA -0.617 44.546 45.100 0.106 0.000 0.953 226 G HN 0.629 nan 8.290 nan 0.000 0.559 227 V N -1.135 118.802 119.914 0.039 0.000 2.628 227 V HA 0.836 4.956 4.120 -0.000 0.000 0.306 227 V C 0.449 176.533 176.094 -0.017 0.000 1.045 227 V CA 0.151 62.460 62.300 0.016 0.000 0.905 227 V CB 1.081 32.930 31.823 0.045 0.000 0.997 227 V HN 1.228 nan 8.190 nan 0.000 0.436 228 T N 1.443 115.980 114.554 -0.028 0.000 2.732 228 T HA 0.352 4.702 4.350 -0.000 0.000 0.287 228 T C 0.920 175.581 174.700 -0.065 0.000 0.993 228 T CA -0.407 61.661 62.100 -0.053 0.000 0.966 228 T CB 0.623 69.464 68.868 -0.045 0.000 1.047 228 T HN 0.706 nan 8.240 nan 0.000 0.527 229 K N -0.218 120.118 120.400 -0.107 0.000 2.360 229 K HA -0.088 4.232 4.320 -0.000 0.000 0.201 229 K C 1.251 177.832 176.600 -0.031 0.000 1.046 229 K CA 1.207 57.412 56.287 -0.136 0.000 0.945 229 K CB -0.422 31.969 32.500 -0.181 0.000 0.750 229 K HN 0.735 nan 8.250 nan 0.000 0.464 230 H N -0.631 118.389 119.070 -0.084 0.000 2.524 230 H HA 0.115 4.671 4.556 -0.000 0.000 0.299 230 H C 0.599 175.899 175.328 -0.046 0.000 1.074 230 H CA -0.090 55.921 56.048 -0.061 0.000 1.115 230 H CB 0.278 30.013 29.762 -0.045 0.000 1.522 230 H HN 0.325 nan 8.280 nan 0.000 0.543 231 G N 1.174 110.008 108.800 0.055 0.000 2.233 231 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.270 231 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.270 231 G C 0.014 174.936 174.900 0.037 0.000 1.011 231 G CA 0.574 45.699 45.100 0.041 0.000 0.762 231 G HN 0.254 nan 8.290 nan 0.000 0.511 232 V N 0.176 120.111 119.914 0.034 0.000 2.581 232 V HA 0.799 4.918 4.120 -0.000 0.000 0.303 232 V C 0.799 176.899 176.094 0.009 0.000 1.041 232 V CA -0.564 61.748 62.300 0.020 0.000 0.907 232 V CB 1.782 33.618 31.823 0.022 0.000 0.994 232 V HN 1.030 nan 8.190 nan 0.000 0.442 233 A N 3.472 126.296 122.820 0.007 0.000 2.450 233 A HA 0.775 5.095 4.320 -0.000 0.000 0.255 233 A C 0.276 177.851 177.584 -0.015 0.000 1.096 233 A CA 0.517 52.556 52.037 0.003 0.000 0.778 233 A CB 0.134 19.139 19.000 0.010 0.000 1.031 233 A HN 1.616 nan 8.150 nan 0.000 0.494 234 A N 2.221 125.020 122.820 -0.036 0.000 2.606 234 A HA 0.627 4.947 4.320 -0.000 0.000 0.293 234 A C -0.608 176.914 177.584 -0.103 0.000 1.082 234 A CA -0.649 51.351 52.037 -0.061 0.000 0.685 234 A CB 0.652 19.609 19.000 -0.072 0.000 1.284 234 A HN 0.763 nan 8.150 nan 0.000 0.408 235 I N 2.541 123.051 120.570 -0.100 0.000 2.389 235 I HA 0.157 4.327 4.170 -0.000 0.000 0.295 235 I C 0.214 176.171 176.117 -0.266 0.000 1.117 235 I CA 0.322 61.543 61.300 -0.133 0.000 1.317 235 I CB 0.397 38.373 38.000 -0.040 0.000 1.431 235 I HN 0.560 nan 8.210 nan 0.000 0.521 236 T N 4.458 118.724 114.554 -0.480 0.000 2.909 236 T HA 0.301 4.651 4.350 -0.000 0.000 0.289 236 T C 0.247 174.532 174.700 -0.692 0.000 1.005 236 T CA -0.295 61.411 62.100 -0.655 0.000 1.084 236 T CB 1.092 69.311 68.868 -1.082 0.000 0.975 236 T HN 0.473 nan 8.240 nan 0.000 0.509 237 T N 2.794 117.032 114.554 -0.527 0.000 2.881 237 T HA 0.528 4.878 4.350 -0.000 0.000 0.291 237 T C 0.259 174.818 174.700 -0.234 0.000 0.990 237 T CA -0.892 60.902 62.100 -0.511 0.000 0.976 237 T CB 1.200 69.714 68.868 -0.590 0.000 0.970 237 T HN 0.775 nan 8.240 nan 0.000 0.438 238 T N 0.341 114.848 114.554 -0.079 0.000 2.934 238 T HA 0.491 4.841 4.350 -0.000 0.000 0.283 238 T C 1.121 175.821 174.700 0.000 0.000 1.005 238 T CA -0.917 61.194 62.100 0.018 0.000 1.041 238 T CB 2.144 71.116 68.868 0.173 0.000 1.042 238 T HN 0.470 nan 8.240 nan 0.000 0.505 239 K N 0.505 120.900 120.400 -0.009 0.000 2.211 239 K HA 0.349 4.669 4.320 -0.000 0.000 0.201 239 K C 0.786 177.371 176.600 -0.025 0.000 1.052 239 K CA 0.714 56.986 56.287 -0.027 0.000 0.973 239 K CB -0.387 32.089 32.500 -0.039 0.000 0.766 239 K HN 1.133 nan 8.250 nan 0.000 0.466 240 G N 1.000 109.802 108.800 0.005 0.000 2.885 240 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.685 240 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.685 240 G C -1.734 173.162 174.900 -0.007 0.000 1.216 240 G CA -0.818 44.294 45.100 0.020 0.000 0.790 240 G HN 0.218 nan 8.290 nan 0.000 0.631 241 N N 0.905 119.621 118.700 0.027 0.000 2.417 241 N HA 0.383 5.123 4.740 -0.000 0.000 0.274 241 N C 1.050 176.563 175.510 0.006 0.000 0.987 241 N CA -0.387 52.651 53.050 -0.020 0.000 0.912 241 N CB 1.496 39.991 38.487 0.013 0.000 1.177 241 N HN 0.709 nan 8.380 nan 0.000 0.490 242 E N 2.872 123.009 120.200 -0.104 0.000 2.476 242 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 242 E C -0.478 176.226 176.600 0.174 0.000 1.029 242 E CA 0.320 56.719 56.400 -0.001 0.000 0.896 242 E CB -0.497 29.181 29.700 -0.037 0.000 1.012 242 E HN 0.657 nan 8.360 nan 0.000 0.475 243 H N 0.008 119.171 119.070 0.155 0.000 2.507 243 H HA 0.356 4.912 4.556 -0.000 0.000 0.271 243 H C -0.726 174.785 175.328 0.305 0.000 1.224 243 H CA -0.760 55.417 56.048 0.215 0.000 1.000 243 H CB 0.147 30.026 29.762 0.196 0.000 1.663 243 H HN 0.066 nan 8.280 nan 0.000 0.548 244 C N 2.341 121.872 119.300 0.385 0.000 2.281 244 C HA 0.401 4.861 4.460 -0.000 0.000 0.325 244 C C -0.030 175.204 174.990 0.407 0.000 1.282 244 C CA -0.838 58.370 59.018 0.317 0.000 1.640 244 C CB -1.306 26.632 27.740 0.329 0.000 2.288 244 C HN 0.557 nan 8.230 nan 0.000 0.507 245 F N 1.657 121.747 119.950 0.232 0.000 2.639 245 F HA 0.899 5.426 4.527 -0.000 0.000 0.339 245 F C -0.580 175.364 175.800 0.240 0.000 1.071 245 F CA -1.519 56.608 58.000 0.211 0.000 0.994 245 F CB 0.137 39.236 39.000 0.165 0.000 1.341 245 F HN 0.183 nan 8.300 nan 0.000 0.498 246 V N 2.262 122.401 119.914 0.375 0.000 2.539 246 V HA 0.428 4.548 4.120 -0.000 0.000 0.292 246 V C -0.010 176.259 176.094 0.293 0.000 1.045 246 V CA -0.700 61.752 62.300 0.254 0.000 0.945 246 V CB 1.505 33.453 31.823 0.209 0.000 0.993 246 V HN 0.606 nan 8.190 nan 0.000 0.464 247 I N 5.051 125.744 120.570 0.205 0.000 2.433 247 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 247 I C -0.653 175.569 176.117 0.175 0.000 1.001 247 I CA -0.518 60.911 61.300 0.215 0.000 1.119 247 I CB 1.779 39.894 38.000 0.191 0.000 1.289 247 I HN 0.317 nan 8.210 nan 0.000 0.438 248 L N 6.827 128.154 121.223 0.173 0.000 2.264 248 L HA 0.417 4.757 4.340 -0.000 0.000 0.289 248 L C 0.246 177.220 176.870 0.172 0.000 1.044 248 L CA -0.491 54.443 54.840 0.157 0.000 0.807 248 L CB 0.793 42.944 42.059 0.153 0.000 1.192 248 L HN 0.681 nan 8.230 nan 0.000 0.425 249 R N 1.468 122.066 120.500 0.162 0.000 2.616 249 R HA 0.476 4.816 4.340 -0.000 0.000 0.427 249 R C 0.440 176.841 176.300 0.167 0.000 1.030 249 R CA -0.103 56.109 56.100 0.186 0.000 1.133 249 R CB 0.133 30.554 30.300 0.201 0.000 1.444 249 R HN 0.637 nan 8.270 nan 0.000 0.578 250 G N -0.380 108.504 108.800 0.139 0.000 2.569 250 G HA2 0.139 4.099 3.960 -0.000 0.000 0.259 250 G HA3 0.139 4.099 3.960 -0.000 0.000 0.259 250 G C 0.369 175.318 174.900 0.082 0.000 1.263 250 G CA 0.084 45.247 45.100 0.105 0.000 0.928 250 G HN 1.200 nan 8.290 nan 0.000 0.572 251 G N -3.492 105.348 108.800 0.068 0.000 2.366 251 G HA2 0.574 4.534 3.960 -0.000 0.000 0.190 251 G HA3 0.574 4.534 3.960 -0.000 0.000 0.190 251 G C 1.025 175.947 174.900 0.037 0.000 1.299 251 G CA 1.679 46.811 45.100 0.052 0.000 1.056 251 G HN 2.006 nan 8.290 nan 0.000 0.468 252 K N -0.668 119.747 120.400 0.026 0.000 2.025 252 K HA 0.409 4.729 4.320 -0.000 0.000 0.207 252 K C 2.498 179.105 176.600 0.012 0.000 1.049 252 K CA 2.890 59.188 56.287 0.018 0.000 0.933 252 K CB -1.431 31.077 32.500 0.013 0.000 0.714 252 K HN 1.890 nan 8.250 nan 0.000 0.438 253 K N 0.985 121.391 120.400 0.010 0.000 2.687 253 K HA 0.392 4.712 4.320 -0.000 0.000 0.197 253 K C 1.304 177.902 176.600 -0.005 0.000 1.018 253 K CA 0.905 57.193 56.287 0.003 0.000 1.035 253 K CB -1.949 30.552 32.500 0.003 0.000 0.834 253 K HN 1.804 nan 8.250 nan 0.000 0.496 254 G N -0.493 108.308 108.800 0.001 0.000 2.795 254 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.664 254 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.664 254 G C 0.251 175.142 174.900 -0.014 0.000 1.381 254 G CA 0.117 45.212 45.100 -0.009 0.000 0.853 254 G HN 1.464 nan 8.290 nan 0.000 0.545 255 T N -1.741 112.792 114.554 -0.034 0.000 2.855 255 T HA 0.412 4.762 4.350 -0.000 0.000 0.322 255 T C 0.980 175.601 174.700 -0.132 0.000 1.088 255 T CA 0.901 62.971 62.100 -0.049 0.000 1.104 255 T CB 0.976 69.778 68.868 -0.109 0.000 0.996 255 T HN 2.089 nan 8.240 nan 0.000 0.549 256 N N 0.084 118.734 118.700 -0.083 0.000 2.466 256 N HA 0.074 4.814 4.740 -0.000 0.000 0.272 256 N C 0.243 175.751 175.510 -0.002 0.000 1.455 256 N CA -0.628 52.380 53.050 -0.070 0.000 0.875 256 N CB -0.618 37.877 38.487 0.013 0.000 1.372 256 N HN 0.827 nan 8.380 nan 0.000 0.492 257 Y N -0.168 120.168 120.300 0.060 0.000 2.397 257 Y HA 0.232 4.782 4.550 -0.000 0.000 0.292 257 Y C 0.501 176.429 175.900 0.047 0.000 1.115 257 Y CA -0.640 57.502 58.100 0.070 0.000 1.208 257 Y CB -0.844 37.662 38.460 0.078 0.000 1.046 257 Y HN 0.017 nan 8.280 nan 0.000 0.552 258 D N 1.657 122.003 120.400 -0.089 0.000 2.383 258 D HA -0.127 4.513 4.640 -0.000 0.000 0.233 258 D C 1.538 177.861 176.300 0.038 0.000 1.233 258 D CA 0.712 54.715 54.000 0.005 0.000 0.881 258 D CB 1.107 41.805 40.800 -0.171 0.000 1.212 258 D HN 0.397 nan 8.370 nan 0.000 0.467 259 A N 1.715 124.562 122.820 0.044 0.000 1.978 259 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 259 A C 2.176 179.772 177.584 0.019 0.000 1.170 259 A CA 1.766 53.825 52.037 0.037 0.000 0.636 259 A CB -0.452 18.567 19.000 0.031 0.000 0.810 259 A HN 0.688 nan 8.150 nan 0.000 0.448 260 K N -0.400 120.000 120.400 -0.001 0.000 2.007 260 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 260 K C 2.293 178.891 176.600 -0.003 0.000 1.047 260 K CA 1.403 57.687 56.287 -0.005 0.000 0.937 260 K CB -0.321 32.168 32.500 -0.019 0.000 0.718 260 K HN 0.355 nan 8.250 nan 0.000 0.438 261 S N 1.094 116.783 115.700 -0.018 0.000 2.402 261 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 261 S C 2.132 176.745 174.600 0.022 0.000 1.030 261 S CA 1.120 59.315 58.200 -0.009 0.000 1.003 261 S CB -0.282 62.896 63.200 -0.038 0.000 0.813 261 S HN 0.057 nan 8.310 nan 0.000 0.477 262 V N 1.870 121.805 119.914 0.035 0.000 2.261 262 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 262 V C 2.678 178.798 176.094 0.043 0.000 1.047 262 V CA 1.739 64.070 62.300 0.053 0.000 1.015 262 V CB -1.291 30.569 31.823 0.061 0.000 0.642 262 V HN 0.548 nan 8.190 nan 0.000 0.446 263 A N -0.136 122.704 122.820 0.032 0.000 1.917 263 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 263 A C 2.114 179.715 177.584 0.027 0.000 1.182 263 A CA 2.242 54.296 52.037 0.028 0.000 0.633 263 A CB -0.604 18.409 19.000 0.020 0.000 0.819 263 A HN 0.682 nan 8.150 nan 0.000 0.448 264 E N -0.270 119.944 120.200 0.023 0.000 2.153 264 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 264 E C 2.256 178.874 176.600 0.031 0.000 0.988 264 E CA 0.934 57.348 56.400 0.022 0.000 0.811 264 E CB -0.307 29.403 29.700 0.016 0.000 0.746 264 E HN 0.662 nan 8.360 nan 0.000 0.466 265 A N 1.764 124.609 122.820 0.040 0.000 1.855 265 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 265 A C 1.962 179.578 177.584 0.054 0.000 1.191 265 A CA 1.431 53.500 52.037 0.053 0.000 0.613 265 A CB -0.264 18.777 19.000 0.068 0.000 0.829 265 A HN 0.029 nan 8.150 nan 0.000 0.442 266 K N 0.038 120.469 120.400 0.051 0.000 2.103 266 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 266 K C 2.145 178.770 176.600 0.041 0.000 1.048 266 K CA 1.216 57.532 56.287 0.048 0.000 0.930 266 K CB -0.335 32.191 32.500 0.042 0.000 0.716 266 K HN 0.445 nan 8.250 nan 0.000 0.444 267 A N 1.201 124.042 122.820 0.035 0.000 1.969 267 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 267 A C 1.986 179.589 177.584 0.031 0.000 1.169 267 A CA 1.206 53.260 52.037 0.029 0.000 0.635 267 A CB -0.243 18.771 19.000 0.023 0.000 0.810 267 A HN 0.273 nan 8.150 nan 0.000 0.445 268 Q N -0.545 119.276 119.800 0.034 0.000 2.187 268 Q HA 0.114 4.454 4.340 -0.000 0.000 0.199 268 Q C 0.039 176.064 176.000 0.041 0.000 0.957 268 Q CA 0.095 55.918 55.803 0.034 0.000 0.857 268 Q CB -0.190 28.568 28.738 0.034 0.000 0.929 268 Q HN 0.587 nan 8.270 nan 0.000 0.453 269 L N 3.688 124.942 121.223 0.051 0.000 2.490 269 L HA 0.073 4.413 4.340 -0.000 0.000 0.274 269 L C -1.738 175.165 176.870 0.054 0.000 1.201 269 L CA -1.290 53.587 54.840 0.061 0.000 0.869 269 L CB -0.244 41.860 42.059 0.075 0.000 1.123 269 L HN 0.061 nan 8.230 nan 0.000 0.484 270 P HA 0.141 nan 4.420 nan 0.000 0.275 270 P C -0.915 176.417 177.300 0.053 0.000 1.266 270 P CA -0.667 62.464 63.100 0.050 0.000 0.793 270 P CB 0.669 32.401 31.700 0.053 0.000 1.074 271 A N -0.170 122.677 122.820 0.046 0.000 2.491 271 A HA 0.449 4.769 4.320 -0.000 0.000 0.261 271 A C 1.223 178.838 177.584 0.050 0.000 1.101 271 A CA 0.554 52.617 52.037 0.044 0.000 0.772 271 A CB -1.589 17.433 19.000 0.036 0.000 1.043 271 A HN 0.914 nan 8.150 nan 0.000 0.501 272 G N 2.221 111.052 108.800 0.052 0.000 2.165 272 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.226 272 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.226 272 G C 0.149 175.095 174.900 0.077 0.000 1.035 272 G CA 0.129 45.264 45.100 0.059 0.000 0.744 272 G HN 1.076 nan 8.290 nan 0.000 0.501 273 S N 1.338 117.087 115.700 0.082 0.000 2.438 273 S HA 0.452 4.922 4.470 -0.000 0.000 0.293 273 S C 0.882 175.548 174.600 0.110 0.000 1.141 273 S CA -0.851 57.414 58.200 0.107 0.000 1.080 273 S CB 0.708 63.973 63.200 0.108 0.000 0.978 273 S HN 0.489 nan 8.310 nan 0.000 0.479 274 N N 1.788 120.570 118.700 0.136 0.000 2.174 274 N HA -0.033 4.707 4.740 -0.000 0.000 0.215 274 N C 1.058 176.625 175.510 0.095 0.000 1.322 274 N CA 0.357 53.472 53.050 0.110 0.000 0.880 274 N CB 0.038 38.618 38.487 0.155 0.000 1.090 274 N HN 0.681 nan 8.380 nan 0.000 0.436 275 G N -0.547 108.264 108.800 0.018 0.000 2.680 275 G HA2 0.237 4.197 3.960 -0.000 0.000 0.274 275 G HA3 0.237 4.197 3.960 -0.000 0.000 0.274 275 G C 0.021 174.969 174.900 0.079 0.000 1.292 275 G CA -0.265 44.839 45.100 0.006 0.000 1.007 275 G HN 0.376 nan 8.290 nan 0.000 0.578 276 L N -0.607 120.661 121.223 0.075 0.000 2.322 276 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 276 L C 0.063 177.014 176.870 0.135 0.000 1.012 276 L CA -0.728 54.204 54.840 0.154 0.000 0.815 276 L CB 2.100 44.233 42.059 0.124 0.000 1.295 276 L HN 0.558 nan 8.230 nan 0.000 0.438 277 M N 2.398 122.136 119.600 0.231 0.000 2.464 277 M HA 0.570 5.050 4.480 -0.000 0.000 0.308 277 M C -1.723 174.669 176.300 0.153 0.000 1.127 277 M CA -0.334 55.076 55.300 0.182 0.000 0.913 277 M CB 2.183 34.997 32.600 0.357 0.000 1.689 277 M HN 0.396 nan 8.290 nan 0.000 0.445 278 I N 3.170 123.792 120.570 0.086 0.000 2.406 278 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 278 I C -0.917 175.211 176.117 0.018 0.000 0.999 278 I CA -0.730 60.640 61.300 0.116 0.000 1.124 278 I CB 1.707 39.821 38.000 0.191 0.000 1.289 278 I HN 0.596 nan 8.210 nan 0.000 0.441 279 D N 5.113 125.570 120.400 0.094 0.000 2.198 279 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 279 D C 0.149 176.546 176.300 0.161 0.000 1.079 279 D CA -0.104 53.920 54.000 0.041 0.000 0.854 279 D CB 1.122 42.005 40.800 0.137 0.000 1.148 279 D HN 0.299 nan 8.370 nan 0.000 0.456 280 Y N 1.251 121.528 120.300 -0.039 0.000 2.517 280 Y HA 0.096 4.646 4.550 -0.000 0.000 0.281 280 Y C 1.586 177.435 175.900 -0.084 0.000 1.125 280 Y CA -0.176 57.873 58.100 -0.086 0.000 1.283 280 Y CB -0.324 38.067 38.460 -0.115 0.000 1.042 280 Y HN 0.204 nan 8.280 nan 0.000 0.547 281 S N -2.174 113.532 115.700 0.010 0.000 2.748 281 S HA 0.497 4.967 4.470 -0.000 0.000 0.299 281 S C -0.204 174.347 174.600 -0.081 0.000 1.119 281 S CA 0.285 58.407 58.200 -0.130 0.000 0.997 281 S CB 0.521 63.499 63.200 -0.369 0.000 1.223 281 S HN 0.550 nan 8.310 nan 0.000 0.541 282 H N -0.903 118.224 119.070 0.095 0.000 1.452 282 H HA -0.229 4.327 4.556 -0.000 0.000 0.090 282 H C 1.418 176.802 175.328 0.093 0.000 0.623 282 H CA 0.872 56.972 56.048 0.087 0.000 1.901 282 H CB -1.643 28.169 29.762 0.083 0.000 2.257 282 H HN 0.721 nan 8.280 nan 0.000 0.961 283 G N 0.321 109.277 108.800 0.260 0.000 2.450 283 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.220 283 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.220 283 G C 0.831 175.832 174.900 0.169 0.000 1.130 283 G CA 1.243 46.446 45.100 0.172 0.000 0.760 283 G HN 0.535 nan 8.290 nan 0.000 0.557 284 N N 0.434 119.257 118.700 0.206 0.000 2.466 284 N HA 0.107 4.847 4.740 -0.000 0.000 0.251 284 N C 1.112 176.748 175.510 0.210 0.000 1.164 284 N CA 0.757 53.971 53.050 0.274 0.000 0.888 284 N CB 0.701 39.420 38.487 0.387 0.000 1.177 284 N HN 0.476 nan 8.380 nan 0.000 0.498 285 S N -1.438 114.348 115.700 0.145 0.000 2.661 285 S HA 0.085 4.555 4.470 -0.000 0.000 0.275 285 S C 0.282 174.926 174.600 0.074 0.000 1.075 285 S CA -0.402 57.851 58.200 0.088 0.000 1.251 285 S CB 0.443 63.681 63.200 0.063 0.000 1.167 285 S HN 0.116 nan 8.310 nan 0.000 0.648 286 N N 2.147 120.899 118.700 0.088 0.000 2.783 286 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 286 N C 0.118 175.663 175.510 0.059 0.000 1.089 286 N CA 1.331 54.421 53.050 0.067 0.000 0.690 286 N CB -2.188 36.328 38.487 0.050 0.000 0.991 286 N HN 1.426 nan 8.380 nan 0.000 0.552 287 K N -0.834 119.613 120.400 0.078 0.000 3.939 287 K HA -0.109 4.211 4.320 -0.000 0.000 0.281 287 K C -0.367 176.273 176.600 0.067 0.000 0.981 287 K CA 1.637 57.973 56.287 0.082 0.000 0.833 287 K CB -1.722 30.820 32.500 0.070 0.000 1.501 287 K HN 0.830 nan 8.250 nan 0.000 0.445 288 D N -0.591 119.851 120.400 0.071 0.000 2.414 288 D HA 0.353 4.993 4.640 -0.000 0.000 0.187 288 D C 0.475 176.790 176.300 0.026 0.000 1.255 288 D CA 0.008 54.019 54.000 0.018 0.000 0.825 288 D CB 0.037 40.803 40.800 -0.056 0.000 1.912 288 D HN 0.690 nan 8.370 nan 0.000 0.530 289 F N 2.869 122.815 119.950 -0.007 0.000 2.502 289 F HA 0.239 4.766 4.527 -0.000 0.000 0.298 289 F C 1.675 177.460 175.800 -0.026 0.000 1.111 289 F CA 0.298 58.287 58.000 -0.019 0.000 1.445 289 F CB -0.235 38.755 39.000 -0.017 0.000 1.081 289 F HN 0.170 nan 8.300 nan 0.000 0.558 290 R N 0.652 120.826 120.500 -0.544 0.000 2.148 290 R HA -0.088 4.252 4.340 -0.000 0.000 0.227 290 R C 1.444 177.633 176.300 -0.186 0.000 1.103 290 R CA 1.316 57.179 56.100 -0.396 0.000 0.983 290 R CB -0.713 29.302 30.300 -0.475 0.000 0.874 290 R HN 0.304 nan 8.270 nan 0.000 0.451 291 N N 1.002 119.615 118.700 -0.145 0.000 2.443 291 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 291 N C 1.481 176.897 175.510 -0.156 0.000 1.037 291 N CA 0.876 53.856 53.050 -0.115 0.000 0.896 291 N CB 0.060 38.512 38.487 -0.057 0.000 0.959 291 N HN 0.290 nan 8.380 nan 0.000 0.442 292 Q N -0.037 119.698 119.800 -0.110 0.000 2.002 292 Q HA -0.126 4.213 4.340 -0.000 0.000 0.204 292 Q C -0.668 175.157 176.000 -0.292 0.000 0.988 292 Q CA 1.676 57.397 55.803 -0.137 0.000 0.843 292 Q CB -0.993 27.763 28.738 0.030 0.000 0.908 292 Q HN 0.393 nan 8.270 nan 0.000 0.420 293 P HA -0.179 nan 4.420 nan 0.000 0.216 293 P C 0.687 177.820 177.300 -0.278 0.000 1.153 293 P CA 1.374 64.348 63.100 -0.210 0.000 0.858 293 P CB 0.062 31.687 31.700 -0.124 0.000 0.789 294 K N -0.608 119.642 120.400 -0.249 0.000 2.057 294 K HA -0.079 4.240 4.320 -0.000 0.000 0.207 294 K C 1.976 178.352 176.600 -0.373 0.000 1.049 294 K CA 1.051 57.198 56.287 -0.234 0.000 0.931 294 K CB -1.633 30.770 32.500 -0.162 0.000 0.714 294 K HN 0.020 nan 8.250 nan 0.000 0.440 295 V N 1.658 121.221 119.914 -0.585 0.000 2.343 295 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 295 V C 2.124 177.682 176.094 -0.893 0.000 1.051 295 V CA 1.971 63.672 62.300 -0.998 0.000 1.036 295 V CB -0.750 30.432 31.823 -1.069 0.000 0.654 295 V HN 0.399 nan 8.190 nan 0.000 0.451 296 N N 0.786 118.916 118.700 -0.950 0.000 2.036 296 N HA -0.226 4.514 4.740 -0.000 0.000 0.195 296 N C 1.514 176.817 175.510 -0.345 0.000 1.037 296 N CA 2.162 54.762 53.050 -0.750 0.000 0.855 296 N CB -0.368 37.836 38.487 -0.472 0.000 1.033 296 N HN 0.490 nan 8.380 nan 0.000 0.423 297 D N -0.136 120.103 120.400 -0.268 0.000 2.177 297 D HA -0.179 4.461 4.640 -0.000 0.000 0.189 297 D C 2.104 178.341 176.300 -0.106 0.000 1.002 297 D CA 1.767 55.678 54.000 -0.150 0.000 0.845 297 D CB -0.814 39.912 40.800 -0.123 0.000 0.960 297 D HN 0.166 nan 8.370 nan 0.000 0.447 298 V N 1.097 120.946 119.914 -0.108 0.000 2.324 298 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 298 V C 2.697 178.801 176.094 0.015 0.000 1.060 298 V CA 1.385 63.683 62.300 -0.003 0.000 1.042 298 V CB -0.557 31.340 31.823 0.124 0.000 0.650 298 V HN 0.066 nan 8.190 nan 0.000 0.450 299 V N -1.599 118.293 119.914 -0.036 0.000 2.379 299 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 299 V C 2.482 178.594 176.094 0.030 0.000 1.044 299 V CA 1.864 64.188 62.300 0.040 0.000 1.036 299 V CB -0.799 31.086 31.823 0.104 0.000 0.664 299 V HN 0.609 nan 8.190 nan 0.000 0.453 300 C N -0.127 119.168 119.300 -0.008 0.000 2.429 300 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 300 C C 2.838 177.827 174.990 -0.002 0.000 1.262 300 C CA 1.053 60.069 59.018 -0.003 0.000 1.733 300 C CB -0.800 26.924 27.740 -0.027 0.000 2.010 300 C HN 0.608 nan 8.230 nan 0.000 0.483 301 E N 1.100 121.296 120.200 -0.007 0.000 2.070 301 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 301 E C 2.087 178.694 176.600 0.012 0.000 1.004 301 E CA 1.670 58.070 56.400 0.000 0.000 0.805 301 E CB -0.414 29.288 29.700 0.003 0.000 0.744 301 E HN 0.691 nan 8.360 nan 0.000 0.451 302 Q N -0.402 119.413 119.800 0.024 0.000 2.224 302 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 302 Q C 2.427 178.441 176.000 0.024 0.000 0.970 302 Q CA 1.073 56.894 55.803 0.030 0.000 0.865 302 Q CB 0.018 28.785 28.738 0.048 0.000 0.922 302 Q HN 0.384 nan 8.270 nan 0.000 0.445 303 I N 0.285 120.867 120.570 0.021 0.000 2.286 303 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 303 I C 2.034 178.155 176.117 0.007 0.000 1.104 303 I CA 0.667 61.976 61.300 0.015 0.000 1.397 303 I CB -0.246 37.762 38.000 0.014 0.000 1.072 303 I HN 0.046 nan 8.210 nan 0.000 0.417 304 A N 0.290 123.113 122.820 0.004 0.000 2.255 304 A HA -0.020 4.299 4.320 -0.000 0.000 0.206 304 A C 1.233 178.818 177.584 0.002 0.000 1.193 304 A CA 0.837 52.874 52.037 0.000 0.000 0.794 304 A CB -0.860 18.137 19.000 -0.004 0.000 0.794 304 A HN 0.556 nan 8.150 nan 0.000 0.481 305 N N -1.375 117.328 118.700 0.005 0.000 2.241 305 N HA 0.301 5.041 4.740 -0.000 0.000 0.238 305 N C 0.681 176.195 175.510 0.007 0.000 1.244 305 N CA 0.322 53.375 53.050 0.006 0.000 0.880 305 N CB 0.852 39.343 38.487 0.007 0.000 1.179 305 N HN 0.467 nan 8.380 nan 0.000 0.513 306 G N 1.799 110.603 108.800 0.006 0.000 2.159 306 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.227 306 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.227 306 G C -0.087 174.819 174.900 0.010 0.000 0.986 306 G CA -0.292 44.812 45.100 0.007 0.000 0.651 306 G HN 0.331 nan 8.290 nan 0.000 0.523 307 E N 0.820 121.028 120.200 0.013 0.000 2.104 307 E HA 0.497 4.846 4.350 -0.000 0.000 0.278 307 E C 1.088 177.697 176.600 0.015 0.000 1.127 307 E CA -0.005 56.406 56.400 0.018 0.000 0.897 307 E CB -0.149 29.567 29.700 0.027 0.000 1.043 307 E HN 0.409 nan 8.360 nan 0.000 0.410 308 N N 3.061 121.768 118.700 0.012 0.000 2.325 308 N HA 0.101 4.841 4.740 -0.000 0.000 0.182 308 N C 0.967 176.481 175.510 0.007 0.000 1.088 308 N CA 0.619 53.672 53.050 0.006 0.000 0.879 308 N CB 0.536 39.025 38.487 0.003 0.000 0.983 308 N HN 0.482 nan 8.380 nan 0.000 0.471 309 A N 0.427 123.257 122.820 0.018 0.000 2.168 309 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 309 A C 0.727 178.327 177.584 0.028 0.000 1.152 309 A CA 0.398 52.450 52.037 0.026 0.000 0.716 309 A CB -0.330 18.693 19.000 0.038 0.000 0.794 309 A HN 0.205 nan 8.150 nan 0.000 0.465 310 I N 1.704 122.288 120.570 0.024 0.000 2.257 310 I HA 0.038 4.208 4.170 -0.000 0.000 0.290 310 I C 1.378 177.491 176.117 -0.008 0.000 1.137 310 I CA 0.112 61.428 61.300 0.027 0.000 1.255 310 I CB 0.651 38.679 38.000 0.046 0.000 1.485 310 I HN 0.303 nan 8.210 nan 0.000 0.534 311 T N 0.256 114.786 114.554 -0.039 0.000 3.129 311 T HA 0.313 4.663 4.350 -0.000 0.000 0.251 311 T C 0.679 175.297 174.700 -0.137 0.000 1.117 311 T CA -0.093 61.952 62.100 -0.092 0.000 1.034 311 T CB 0.220 69.010 68.868 -0.130 0.000 0.968 311 T HN 0.607 nan 8.240 nan 0.000 0.526 312 G N 0.313 109.045 108.800 -0.113 0.000 2.556 312 G HA2 0.492 4.451 3.960 -0.000 0.000 0.294 312 G HA3 0.492 4.451 3.960 -0.000 0.000 0.294 312 G C -1.435 173.393 174.900 -0.120 0.000 1.516 312 G CA -0.227 44.784 45.100 -0.149 0.000 0.824 312 G HN 0.916 nan 8.290 nan 0.000 0.535 313 V N -1.133 118.671 119.914 -0.184 0.000 3.040 313 V HA 0.938 5.058 4.120 -0.000 0.000 0.312 313 V C -0.472 175.406 176.094 -0.361 0.000 1.115 313 V CA -1.281 60.841 62.300 -0.297 0.000 0.998 313 V CB 2.124 33.684 31.823 -0.438 0.000 1.042 313 V HN 1.034 nan 8.190 nan 0.000 0.433 314 M N 3.709 123.046 119.600 -0.439 0.000 2.190 314 M HA 0.713 5.192 4.480 -0.000 0.000 0.312 314 M C -1.695 174.364 176.300 -0.402 0.000 0.990 314 M CA -0.502 54.609 55.300 -0.315 0.000 0.927 314 M CB 1.342 33.862 32.600 -0.133 0.000 1.571 314 M HN 0.762 nan 8.290 nan 0.000 0.427 315 I N 3.799 124.204 120.570 -0.275 0.000 2.498 315 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 315 I C -0.647 175.407 176.117 -0.105 0.000 1.032 315 I CA -0.740 60.460 61.300 -0.166 0.000 1.073 315 I CB 2.128 40.074 38.000 -0.090 0.000 1.251 315 I HN 0.608 nan 8.210 nan 0.000 0.426 316 E N 5.294 125.440 120.200 -0.091 0.000 2.146 316 E HA 0.495 4.845 4.350 -0.000 0.000 0.282 316 E C -0.815 175.763 176.600 -0.037 0.000 0.989 316 E CA -0.393 55.944 56.400 -0.105 0.000 0.799 316 E CB 1.761 31.372 29.700 -0.149 0.000 1.088 316 E HN 0.718 nan 8.360 nan 0.000 0.397 317 S N 3.132 118.820 115.700 -0.021 0.000 2.607 317 S HA 0.575 5.045 4.470 -0.000 0.000 0.273 317 S C -0.563 174.054 174.600 0.028 0.000 1.148 317 S CA -1.040 57.203 58.200 0.072 0.000 0.833 317 S CB 2.053 65.391 63.200 0.230 0.000 1.130 317 S HN 0.401 nan 8.310 nan 0.000 0.470 318 N N -0.741 118.050 118.700 0.153 0.000 3.229 318 N HA 0.484 5.224 4.740 -0.000 0.000 0.315 318 N C 0.472 176.213 175.510 0.385 0.000 1.520 318 N CA -0.643 52.473 53.050 0.111 0.000 0.769 318 N CB 0.777 39.230 38.487 -0.056 0.000 1.766 318 N HN 0.447 nan 8.380 nan 0.000 0.618 319 I N 0.777 121.482 120.570 0.226 0.000 2.202 319 I HA -0.079 4.091 4.170 -0.000 0.000 0.242 319 I C 0.544 176.744 176.117 0.137 0.000 1.091 319 I CA 1.306 62.694 61.300 0.148 0.000 1.368 319 I CB -0.345 37.610 38.000 -0.074 0.000 1.058 319 I HN 0.313 nan 8.210 nan 0.000 0.410 320 N N 0.672 119.399 118.700 0.045 0.000 2.265 320 N HA 0.279 5.019 4.740 -0.000 0.000 0.300 320 N C -0.551 174.945 175.510 -0.024 0.000 1.148 320 N CA -0.604 52.465 53.050 0.032 0.000 0.772 320 N CB 1.792 40.280 38.487 0.002 0.000 1.434 320 N HN 0.245 nan 8.380 nan 0.000 0.481 321 E N -0.169 120.013 120.200 -0.031 0.000 2.376 321 E HA 0.573 4.923 4.350 -0.000 0.000 0.254 321 E C 0.720 177.139 176.600 -0.302 0.000 1.213 321 E CA -0.551 55.746 56.400 -0.171 0.000 0.945 321 E CB 0.477 30.172 29.700 -0.008 0.000 1.057 321 E HN 0.672 nan 8.360 nan 0.000 0.479 322 G N 0.618 108.974 108.800 -0.740 0.000 2.601 322 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.224 322 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.224 322 G C -0.861 173.766 174.900 -0.454 0.000 1.171 322 G CA -0.164 44.600 45.100 -0.560 0.000 1.009 322 G HN 1.505 nan 8.290 nan 0.000 0.589 323 N N -0.430 118.131 118.700 -0.230 0.000 5.090 323 N HA 0.423 5.163 4.740 -0.000 0.000 0.201 323 N C -0.896 174.543 175.510 -0.117 0.000 1.159 323 N CA 0.400 53.345 53.050 -0.175 0.000 0.796 323 N CB 0.213 38.610 38.487 -0.151 0.000 1.567 323 N HN 1.805 nan 8.380 nan 0.000 0.504 324 Q N -0.572 119.152 119.800 -0.126 0.000 2.648 324 Q HA 0.759 5.099 4.340 -0.000 0.000 0.300 324 Q C -0.924 175.011 176.000 -0.108 0.000 0.954 324 Q CA -1.124 54.619 55.803 -0.099 0.000 0.757 324 Q CB 1.458 30.139 28.738 -0.095 0.000 1.482 324 Q HN 0.788 nan 8.270 nan 0.000 0.437 325 G N 0.298 109.050 108.800 -0.079 0.000 2.471 325 G HA2 0.576 4.536 3.960 -0.000 0.000 0.332 325 G HA3 0.576 4.536 3.960 -0.000 0.000 0.332 325 G C -0.546 174.302 174.900 -0.086 0.000 1.176 325 G CA -1.167 43.891 45.100 -0.071 0.000 0.949 325 G HN 0.543 nan 8.290 nan 0.000 0.488 326 I N 2.484 123.005 120.570 -0.082 0.000 2.483 326 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 326 I C -1.180 174.909 176.117 -0.046 0.000 1.112 326 I CA -1.039 60.211 61.300 -0.083 0.000 1.350 326 I CB 0.707 38.664 38.000 -0.071 0.000 1.419 326 I HN 0.363 nan 8.210 nan 0.000 0.523 327 P HA 0.151 nan 4.420 nan 0.000 0.286 327 P C -0.308 176.982 177.300 -0.017 0.000 1.394 327 P CA -0.088 62.997 63.100 -0.025 0.000 0.763 327 P CB 0.361 32.047 31.700 -0.023 0.000 1.632 333 G N 1.082 109.878 108.800 -0.007 0.000 3.424 333 G HA2 0.449 4.409 3.960 -0.000 0.000 0.263 333 G HA3 0.449 4.409 3.960 -0.000 0.000 0.263 333 G C 0.204 175.104 174.900 -0.001 0.000 1.310 333 G CA -0.078 45.020 45.100 -0.003 0.000 1.089 333 G HN 0.242 nan 8.290 nan 0.000 0.534 334 L N 0.918 122.143 121.223 0.003 0.000 2.416 334 L HA 0.331 4.671 4.340 -0.000 0.000 0.272 334 L C 0.909 177.801 176.870 0.037 0.000 1.161 334 L CA -0.118 54.729 54.840 0.011 0.000 0.845 334 L CB -0.265 41.819 42.059 0.042 0.000 1.119 334 L HN 0.278 nan 8.230 nan 0.000 0.464 335 K N 3.994 124.411 120.400 0.027 0.000 2.310 335 K HA 0.085 4.405 4.320 -0.000 0.000 0.290 335 K C -0.365 176.281 176.600 0.076 0.000 1.077 335 K CA -0.517 55.800 56.287 0.050 0.000 0.922 335 K CB -0.383 32.130 32.500 0.021 0.000 1.057 335 K HN 0.480 nan 8.250 nan 0.000 0.479 336 Y N 1.523 121.818 120.300 -0.008 0.000 2.993 336 Y HA 0.158 4.708 4.550 0.000 0.000 0.340 336 Y C 1.647 177.547 175.900 -0.000 0.000 1.273 336 Y CA 1.847 59.940 58.100 -0.011 0.000 1.545 336 Y CB 0.214 38.663 38.460 -0.019 0.000 1.275 336 Y HN 1.227 nan 8.280 nan 0.000 0.617 337 G N 2.950 111.253 108.800 -0.827 0.000 2.184 337 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 337 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 337 G C -0.463 174.290 174.900 -0.244 0.000 0.975 337 G CA 0.213 44.946 45.100 -0.613 0.000 0.642 337 G HN 0.809 nan 8.290 nan 0.000 0.536 338 V N 2.142 121.964 119.914 -0.154 0.000 2.398 338 V HA 0.606 4.726 4.120 -0.000 0.000 0.286 338 V C 0.963 176.982 176.094 -0.125 0.000 1.026 338 V CA -0.146 62.081 62.300 -0.123 0.000 0.868 338 V CB 1.626 33.388 31.823 -0.103 0.000 0.982 338 V HN 0.870 nan 8.190 nan 0.000 0.443 339 S N 5.206 120.809 115.700 -0.162 0.000 2.549 339 S HA 0.283 4.753 4.470 -0.000 0.000 0.283 339 S C 0.669 175.093 174.600 -0.294 0.000 1.320 339 S CA -0.421 57.654 58.200 -0.209 0.000 1.058 339 S CB 0.349 63.456 63.200 -0.156 0.000 0.882 339 S HN 0.745 nan 8.310 nan 0.000 0.498 340 I N -0.480 119.800 120.570 -0.484 0.000 3.855 340 I HA 0.145 4.315 4.170 -0.000 0.000 0.327 340 I C 0.832 176.828 176.117 -0.202 0.000 1.359 340 I CA -0.341 60.695 61.300 -0.440 0.000 1.142 340 I CB -1.093 36.438 38.000 -0.781 0.000 1.041 340 I HN 0.771 nan 8.210 nan 0.000 0.403 341 T N -2.500 111.995 114.554 -0.098 0.000 2.638 341 T HA 0.304 4.654 4.350 -0.000 0.000 0.169 341 T C 0.131 174.844 174.700 0.021 0.000 0.790 341 T CA -0.178 61.940 62.100 0.030 0.000 1.151 341 T CB -0.093 68.847 68.868 0.120 0.000 2.581 341 T HN 0.030 nan 8.240 nan 0.000 0.391 342 D N 1.651 122.076 120.400 0.042 0.000 2.253 342 D HA 0.663 5.303 4.640 -0.000 0.000 0.249 342 D C -0.111 176.175 176.300 -0.024 0.000 1.049 342 D CA -0.317 53.713 54.000 0.050 0.000 0.929 342 D CB 1.376 42.248 40.800 0.120 0.000 1.176 342 D HN 0.755 nan 8.370 nan 0.000 0.437 343 A N 0.967 123.777 122.820 -0.017 0.000 2.498 343 A HA 0.383 4.703 4.320 -0.000 0.000 0.239 343 A C -0.121 177.348 177.584 -0.191 0.000 1.068 343 A CA -0.043 51.904 52.037 -0.151 0.000 0.766 343 A CB 0.011 19.053 19.000 0.071 0.000 1.003 343 A HN 0.636 nan 8.150 nan 0.000 0.497 344 C N 1.194 120.226 119.300 -0.448 0.000 3.080 344 C HA 0.653 5.113 4.460 -0.000 0.000 0.307 344 C C 0.241 175.029 174.990 -0.337 0.000 1.311 344 C CA -0.663 58.200 59.018 -0.258 0.000 1.533 344 C CB 1.225 28.866 27.740 -0.164 0.000 1.970 344 C HN 0.881 nan 8.230 nan 0.000 0.467 345 I N 1.104 121.677 120.570 0.006 0.000 2.581 345 I HA 0.643 4.813 4.170 -0.000 0.000 0.288 345 I C 0.713 176.876 176.117 0.077 0.000 1.047 345 I CA 0.150 61.530 61.300 0.134 0.000 1.374 345 I CB 0.236 38.334 38.000 0.164 0.000 1.423 345 I HN 0.759 nan 8.210 nan 0.000 0.549 346 G N 3.676 112.537 108.800 0.102 0.000 2.699 346 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.246 346 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.246 346 G C 0.284 175.285 174.900 0.169 0.000 1.219 346 G CA -0.455 44.718 45.100 0.122 0.000 0.866 346 G HN 1.082 nan 8.290 nan 0.000 0.572 347 W N 0.547 121.871 121.300 0.039 0.000 2.379 347 W HA -0.115 4.545 4.660 -0.000 0.000 0.307 347 W C 1.921 178.434 176.519 -0.009 0.000 1.200 347 W CA 1.591 58.942 57.345 0.009 0.000 1.297 347 W CB 0.029 29.463 29.460 -0.044 0.000 1.140 347 W HN 0.678 nan 8.180 nan 0.000 0.507 348 E N 0.537 120.703 120.200 -0.056 0.000 2.049 348 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 348 E C 2.067 178.537 176.600 -0.216 0.000 1.007 348 E CA 3.066 59.370 56.400 -0.159 0.000 0.809 348 E CB -1.265 28.433 29.700 -0.003 0.000 0.749 348 E HN 0.093 nan 8.360 nan 0.000 0.450 349 T N 0.529 115.022 114.554 -0.103 0.000 2.685 349 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 349 T C 1.896 176.503 174.700 -0.155 0.000 1.034 349 T CA 2.009 64.060 62.100 -0.082 0.000 1.149 349 T CB -0.699 68.171 68.868 0.004 0.000 0.860 349 T HN 0.268 nan 8.240 nan 0.000 0.449 350 T N 1.381 115.795 114.554 -0.233 0.000 2.777 350 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 350 T C 1.902 176.314 174.700 -0.480 0.000 1.040 350 T CA 1.286 63.199 62.100 -0.311 0.000 1.141 350 T CB -0.235 68.454 68.868 -0.298 0.000 0.868 350 T HN 0.549 nan 8.240 nan 0.000 0.444 351 E N 0.912 120.660 120.200 -0.752 0.000 2.110 351 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 351 E C 2.051 178.463 176.600 -0.312 0.000 0.988 351 E CA 1.025 57.060 56.400 -0.608 0.000 0.804 351 E CB -0.102 29.228 29.700 -0.616 0.000 0.745 351 E HN 0.332 nan 8.360 nan 0.000 0.458 352 D N 0.040 120.284 120.400 -0.260 0.000 2.087 352 D HA -0.158 4.482 4.640 -0.000 0.000 0.192 352 D C 1.976 178.199 176.300 -0.129 0.000 0.993 352 D CA 1.536 55.442 54.000 -0.157 0.000 0.828 352 D CB -0.015 40.708 40.800 -0.128 0.000 0.968 352 D HN 0.120 nan 8.370 nan 0.000 0.448 353 V N 1.053 120.890 119.914 -0.128 0.000 2.720 353 V HA -0.167 3.953 4.120 -0.000 0.000 0.256 353 V C 2.577 178.634 176.094 -0.061 0.000 1.082 353 V CA 0.796 63.048 62.300 -0.080 0.000 1.101 353 V CB -0.210 31.587 31.823 -0.045 0.000 0.693 353 V HN 0.260 nan 8.190 nan 0.000 0.479 354 L N -1.024 120.135 121.223 -0.106 0.000 2.249 354 L HA 0.018 4.358 4.340 -0.000 0.000 0.207 354 L C 2.725 179.552 176.870 -0.072 0.000 1.090 354 L CA 0.889 55.679 54.840 -0.084 0.000 0.802 354 L CB -0.291 41.695 42.059 -0.122 0.000 0.947 354 L HN 0.199 nan 8.230 nan 0.000 0.453 355 R N 0.147 120.594 120.500 -0.087 0.000 2.075 355 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 355 R C 2.237 178.507 176.300 -0.050 0.000 1.126 355 R CA 1.212 57.272 56.100 -0.066 0.000 0.963 355 R CB -0.107 30.149 30.300 -0.073 0.000 0.858 355 R HN 0.272 nan 8.270 nan 0.000 0.435 356 K N 0.495 120.863 120.400 -0.053 0.000 2.026 356 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 356 K C 2.015 178.597 176.600 -0.030 0.000 1.048 356 K CA 1.091 57.352 56.287 -0.044 0.000 0.929 356 K CB -0.281 32.187 32.500 -0.053 0.000 0.713 356 K HN 0.017 nan 8.250 nan 0.000 0.439 357 L N 1.026 122.236 121.223 -0.021 0.000 2.191 357 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 357 L C 2.049 178.912 176.870 -0.012 0.000 1.103 357 L CA 1.623 56.464 54.840 0.001 0.000 0.769 357 L CB -0.543 41.534 42.059 0.029 0.000 0.908 357 L HN 0.133 nan 8.230 nan 0.000 0.438 358 A N -0.589 122.217 122.820 -0.024 0.000 1.872 358 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 358 A C 2.454 180.025 177.584 -0.022 0.000 1.187 358 A CA 1.407 53.429 52.037 -0.025 0.000 0.614 358 A CB -1.147 17.834 19.000 -0.031 0.000 0.826 358 A HN 0.510 nan 8.150 nan 0.000 0.442 359 A N -0.090 122.715 122.820 -0.024 0.000 1.978 359 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 359 A C 2.425 179.998 177.584 -0.017 0.000 1.170 359 A CA 2.090 54.115 52.037 -0.021 0.000 0.636 359 A CB -0.876 18.110 19.000 -0.024 0.000 0.810 359 A HN 1.039 nan 8.150 nan 0.000 0.448 360 A N -0.613 122.197 122.820 -0.016 0.000 1.969 360 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 360 A C 2.181 179.759 177.584 -0.008 0.000 1.169 360 A CA 1.567 53.598 52.037 -0.011 0.000 0.635 360 A CB -0.711 18.284 19.000 -0.008 0.000 0.810 360 A HN 0.373 nan 8.150 nan 0.000 0.445 361 V N -0.061 119.847 119.914 -0.011 0.000 2.307 361 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 361 V C 2.558 178.645 176.094 -0.012 0.000 1.045 361 V CA 2.117 64.410 62.300 -0.012 0.000 1.024 361 V CB -0.872 30.940 31.823 -0.017 0.000 0.651 361 V HN 0.508 nan 8.190 nan 0.000 0.449 362 R N -0.217 120.275 120.500 -0.013 0.000 2.096 362 R HA -0.281 4.059 4.340 -0.000 0.000 0.240 362 R C 2.480 178.774 176.300 -0.010 0.000 1.139 362 R CA 2.173 58.266 56.100 -0.012 0.000 0.952 362 R CB -0.457 29.835 30.300 -0.013 0.000 0.854 362 R HN 0.509 nan 8.270 nan 0.000 0.436 363 Q N 1.175 120.970 119.800 -0.009 0.000 2.014 363 Q HA -0.240 4.100 4.340 -0.000 0.000 0.207 363 Q C 1.906 177.902 176.000 -0.006 0.000 0.993 363 Q CA 2.116 57.915 55.803 -0.008 0.000 0.850 363 Q CB -0.405 28.328 28.738 -0.007 0.000 0.916 363 Q HN 0.207 nan 8.270 nan 0.000 0.417 364 R N -0.340 120.156 120.500 -0.005 0.000 2.226 364 R HA -0.167 4.173 4.340 -0.000 0.000 0.246 364 R C 2.150 178.448 176.300 -0.005 0.000 1.161 364 R CA 1.586 57.684 56.100 -0.004 0.000 0.997 364 R CB -0.115 30.183 30.300 -0.003 0.000 0.870 364 R HN 0.278 nan 8.270 nan 0.000 0.465 365 R N -0.187 120.309 120.500 -0.006 0.000 2.152 365 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 365 R C 1.860 178.157 176.300 -0.005 0.000 1.117 365 R CA 1.258 57.354 56.100 -0.007 0.000 0.981 365 R CB -0.004 30.291 30.300 -0.008 0.000 0.870 365 R HN 0.278 nan 8.270 nan 0.000 0.451 366 E N 0.349 120.546 120.200 -0.005 0.000 2.004 366 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 366 E C 2.182 178.780 176.600 -0.002 0.000 0.987 366 E CA 0.960 57.358 56.400 -0.004 0.000 0.822 366 E CB -0.736 28.962 29.700 -0.004 0.000 0.779 366 E HN 0.012 nan 8.360 nan 0.000 0.458 367 V N 1.913 121.826 119.914 -0.002 0.000 2.511 367 V HA -0.265 3.855 4.120 -0.000 0.000 0.257 367 V C 0.848 176.942 176.094 0.000 0.000 1.088 367 V CA 1.479 63.778 62.300 -0.000 0.000 1.098 367 V CB -0.987 30.836 31.823 0.001 0.000 0.674 367 V HN 0.163 nan 8.190 nan 0.000 0.470 368 N N -0.498 118.201 118.700 -0.001 0.000 2.413 368 N HA 0.666 5.406 4.740 -0.000 0.000 0.266 368 N C -0.181 175.329 175.510 -0.001 0.000 1.238 368 N CA 0.603 53.653 53.050 -0.000 0.000 0.972 368 N CB 0.751 39.237 38.487 -0.002 0.000 1.210 368 N HN 0.477 nan 8.380 nan 0.000 0.547 369 K N 0.000 120.400 120.400 -0.000 0.000 2.780 369 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 369 K CA 0.000 nan 56.287 nan 0.000 0.838 369 K CB 0.000 nan 32.500 nan 0.000 1.064 369 K HN 0.000 nan 8.250 nan 0.000 0.543