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 1of6_1_H DATA FIRST_RESID 18 DATA SEQUENCE GAEEDVRILG YDPLASPALL QVQIPATPTS LETAKRGRRE AIDIITGKDD DATA SEQUENCE RVLVIVGPCS IHDLEAAQEY ALRLKKLSDE LKGDLSIIMR AYLEKPRTTV DATA SEQUENCE GWKGLINDPD VNNTFNINKG LQSARQLFVN LTNIGLPIGS EMLDTISPQY DATA SEQUENCE LADLVSFGAI GARTTESQLH RELASGLSFP VGFKNGTDGT LNVAVDACQA DATA SEQUENCE AAHSHHFMGV TKHGVAAITT TKGNEHCFVI LRGGKKGTNY DAKSVAEAKA DATA SEQUENCE QLPAGSNGLM IDYSHGNSNK DFRNQPKVND VVCEQIANGE NAITGVMIES DATA SEQUENCE NINEGNQGIP AXXXAGLKYG VSITDACIGW ETTEDVLRKL AAAVRQRREV 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 18 G HA2 0.000 nan 3.960 nan 0.000 0.244 18 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 18 G C 0.000 174.903 174.900 0.006 0.000 0.946 18 G CA 0.000 45.103 45.100 0.005 0.000 0.502 19 A N 1.113 123.937 122.820 0.007 0.000 2.425 19 A HA 0.656 4.976 4.320 -0.000 0.000 0.249 19 A C 0.381 177.972 177.584 0.010 0.000 1.084 19 A CA -0.095 51.947 52.037 0.008 0.000 0.781 19 A CB 0.707 19.713 19.000 0.010 0.000 1.019 19 A HN 0.715 nan 8.150 nan 0.000 0.490 20 E N 1.960 122.166 120.200 0.010 0.000 2.070 20 E HA 0.326 4.676 4.350 -0.000 0.000 0.261 20 E C -0.612 175.997 176.600 0.014 0.000 0.926 20 E CA -0.064 56.342 56.400 0.011 0.000 0.760 20 E CB 0.303 30.008 29.700 0.007 0.000 1.133 20 E HN 0.741 nan 8.360 nan 0.000 0.420 21 E N 2.454 122.666 120.200 0.020 0.000 2.410 21 E HA 0.157 4.506 4.350 -0.000 0.000 0.269 21 E C -0.790 175.829 176.600 0.032 0.000 0.937 21 E CA -0.894 55.523 56.400 0.028 0.000 0.793 21 E CB 1.242 30.965 29.700 0.038 0.000 1.314 21 E HN 0.384 nan 8.360 nan 0.000 0.447 22 D N 0.269 120.691 120.400 0.036 0.000 2.782 22 D HA -0.173 4.467 4.640 -0.000 0.000 0.231 22 D C 1.148 177.445 176.300 -0.005 0.000 1.163 22 D CA 1.129 55.141 54.000 0.020 0.000 0.680 22 D CB -1.624 39.214 40.800 0.064 0.000 1.062 22 D HN 0.316 nan 8.370 nan 0.000 0.425 23 V N -2.972 116.939 119.914 -0.004 0.000 3.078 23 V HA -0.078 4.042 4.120 -0.000 0.000 0.265 23 V C 1.588 177.666 176.094 -0.026 0.000 1.122 23 V CA 1.241 63.534 62.300 -0.012 0.000 1.141 23 V CB -0.158 31.661 31.823 -0.006 0.000 0.735 23 V HN 0.222 nan 8.190 nan 0.000 0.498 24 R N 0.123 120.600 120.500 -0.038 0.000 2.613 24 R HA 0.452 4.792 4.340 -0.000 0.000 0.361 24 R C -0.587 175.659 176.300 -0.089 0.000 1.072 24 R CA -0.331 55.736 56.100 -0.054 0.000 1.089 24 R CB 0.773 31.046 30.300 -0.046 0.000 1.343 24 R HN 0.337 nan 8.270 nan 0.000 0.571 25 I N 2.049 122.555 120.570 -0.107 0.000 2.359 25 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 25 I C 0.975 176.992 176.117 -0.167 0.000 1.018 25 I CA -0.585 60.601 61.300 -0.190 0.000 1.173 25 I CB 1.505 39.344 38.000 -0.268 0.000 1.326 25 I HN 0.011 nan 8.210 nan 0.000 0.462 26 L N 5.180 126.305 121.223 -0.163 0.000 2.275 26 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 26 L C 1.143 177.937 176.870 -0.126 0.000 1.119 26 L CA 0.520 55.286 54.840 -0.124 0.000 0.790 26 L CB -0.934 41.059 42.059 -0.111 0.000 0.919 26 L HN 0.813 nan 8.230 nan 0.000 0.443 27 G N -2.879 105.794 108.800 -0.211 0.000 2.361 27 G HA2 0.280 4.240 3.960 -0.000 0.000 0.299 27 G HA3 0.280 4.240 3.960 -0.000 0.000 0.299 27 G C -1.997 172.750 174.900 -0.256 0.000 1.544 27 G CA -0.746 44.267 45.100 -0.145 0.000 0.860 27 G HN -0.190 nan 8.290 nan 0.000 0.610 28 Y N 1.039 121.327 120.300 -0.020 0.000 2.345 28 Y HA 0.455 5.005 4.550 -0.000 0.000 0.331 28 Y C -0.235 175.658 175.900 -0.011 0.000 0.959 28 Y CA -0.723 57.367 58.100 -0.016 0.000 1.204 28 Y CB 1.831 40.287 38.460 -0.008 0.000 1.135 28 Y HN 0.329 nan 8.280 nan 0.000 0.477 29 D N 5.060 125.517 120.400 0.095 0.000 2.175 29 D HA 0.286 4.926 4.640 -0.000 0.000 0.248 29 D C -2.122 174.221 176.300 0.071 0.000 1.047 29 D CA -1.351 52.686 54.000 0.062 0.000 0.883 29 D CB 1.097 41.911 40.800 0.024 0.000 1.180 29 D HN 0.317 nan 8.370 nan 0.000 0.438 30 P HA 0.198 nan 4.420 nan 0.000 0.271 30 P C -0.914 176.418 177.300 0.053 0.000 1.216 30 P CA -0.541 62.593 63.100 0.056 0.000 0.776 30 P CB 0.834 32.561 31.700 0.045 0.000 0.881 31 L N 2.312 123.574 121.223 0.065 0.000 2.356 31 L HA 0.621 4.961 4.340 -0.000 0.000 0.277 31 L C -0.251 176.680 176.870 0.102 0.000 0.996 31 L CA -0.802 54.084 54.840 0.078 0.000 0.822 31 L CB 1.579 43.696 42.059 0.097 0.000 1.256 31 L HN 0.574 nan 8.230 nan 0.000 0.413 32 A N 3.256 126.139 122.820 0.105 0.000 2.477 32 A HA 0.497 4.817 4.320 -0.000 0.000 0.246 32 A C 0.444 178.161 177.584 0.221 0.000 1.078 32 A CA 0.302 52.414 52.037 0.125 0.000 0.770 32 A CB -0.191 18.872 19.000 0.105 0.000 1.011 32 A HN 0.920 nan 8.150 nan 0.000 0.494 33 S N 2.710 118.476 115.700 0.111 0.000 2.593 33 S HA 0.339 4.809 4.470 -0.000 0.000 0.269 33 S C -1.903 172.609 174.600 -0.147 0.000 1.334 33 S CA -0.740 57.459 58.200 -0.002 0.000 1.015 33 S CB 0.468 63.622 63.200 -0.077 0.000 0.912 33 S HN 0.462 nan 8.310 nan 0.000 0.541 34 P HA -0.095 nan 4.420 nan 0.000 0.215 34 P C 1.715 178.831 177.300 -0.305 0.000 1.157 34 P CA 2.054 64.689 63.100 -0.777 0.000 0.868 34 P CB -0.352 30.840 31.700 -0.847 0.000 0.788 35 A N -0.622 122.019 122.820 -0.300 0.000 1.903 35 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 35 A C 2.203 179.701 177.584 -0.144 0.000 1.191 35 A CA 1.903 53.790 52.037 -0.250 0.000 0.638 35 A CB -1.783 16.943 19.000 -0.456 0.000 0.823 35 A HN 0.155 nan 8.150 nan 0.000 0.451 36 L N -1.099 120.055 121.223 -0.114 0.000 1.989 36 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 36 L C 2.358 179.233 176.870 0.008 0.000 1.071 36 L CA 2.194 57.014 54.840 -0.033 0.000 0.749 36 L CB -0.568 41.492 42.059 0.001 0.000 0.890 36 L HN 0.385 nan 8.230 nan 0.000 0.431 37 L N -0.896 120.356 121.223 0.049 0.000 2.083 37 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 37 L C 2.530 179.431 176.870 0.052 0.000 1.083 37 L CA 1.678 56.570 54.840 0.088 0.000 0.752 37 L CB -0.485 41.711 42.059 0.227 0.000 0.899 37 L HN 0.413 nan 8.230 nan 0.000 0.433 38 Q N -1.714 118.098 119.800 0.020 0.000 2.224 38 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 38 Q C 2.181 178.185 176.000 0.006 0.000 0.970 38 Q CA 1.389 57.198 55.803 0.010 0.000 0.865 38 Q CB -0.063 28.667 28.738 -0.014 0.000 0.922 38 Q HN 0.415 nan 8.270 nan 0.000 0.445 39 V N 0.981 120.892 119.914 -0.005 0.000 2.379 39 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 39 V C 2.056 178.156 176.094 0.010 0.000 1.044 39 V CA 1.640 63.940 62.300 0.001 0.000 1.036 39 V CB -0.339 31.480 31.823 -0.007 0.000 0.664 39 V HN 0.365 nan 8.190 nan 0.000 0.453 40 Q N -0.552 119.257 119.800 0.014 0.000 2.167 40 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 40 Q C 0.442 176.453 176.000 0.019 0.000 0.970 40 Q CA 1.044 56.858 55.803 0.017 0.000 0.855 40 Q CB 0.151 28.901 28.738 0.020 0.000 0.911 40 Q HN 0.517 nan 8.270 nan 0.000 0.438 41 I N 1.815 122.399 120.570 0.023 0.000 2.750 41 I HA 0.234 4.404 4.170 -0.000 0.000 0.279 41 I C -2.442 173.693 176.117 0.030 0.000 1.206 41 I CA -2.175 59.141 61.300 0.026 0.000 1.101 41 I CB 1.317 39.332 38.000 0.026 0.000 1.431 41 I HN -0.147 nan 8.210 nan 0.000 0.551 42 P HA 0.205 nan 4.420 nan 0.000 0.275 42 P C -0.247 177.074 177.300 0.035 0.000 1.228 42 P CA -0.298 62.818 63.100 0.027 0.000 0.786 42 P CB 0.901 32.614 31.700 0.022 0.000 0.927 43 A N 2.368 125.211 122.820 0.039 0.000 2.401 43 A HA 0.466 4.786 4.320 -0.000 0.000 0.259 43 A C 0.816 178.421 177.584 0.034 0.000 1.103 43 A CA -0.084 51.979 52.037 0.044 0.000 0.789 43 A CB -0.579 18.451 19.000 0.050 0.000 1.035 43 A HN 0.642 nan 8.150 nan 0.000 0.491 44 T N 0.615 115.188 114.554 0.032 0.000 2.813 44 T HA 0.357 4.707 4.350 -0.000 0.000 0.297 44 T C -1.796 172.919 174.700 0.024 0.000 1.036 44 T CA -1.087 61.028 62.100 0.025 0.000 1.044 44 T CB 0.454 69.335 68.868 0.022 0.000 0.993 44 T HN 0.341 nan 8.240 nan 0.000 0.535 45 P HA -0.015 nan 4.420 nan 0.000 0.220 45 P C 1.539 178.850 177.300 0.018 0.000 1.148 45 P CA 0.899 64.010 63.100 0.019 0.000 0.803 45 P CB -0.176 31.534 31.700 0.016 0.000 0.782 46 T N -1.067 113.497 114.554 0.017 0.000 2.737 46 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 46 T C 1.986 176.696 174.700 0.016 0.000 1.038 46 T CA 1.606 63.714 62.100 0.014 0.000 1.144 46 T CB -0.908 67.966 68.868 0.011 0.000 0.866 46 T HN 0.068 nan 8.240 nan 0.000 0.434 47 S N 1.498 117.211 115.700 0.021 0.000 2.378 47 S HA -0.137 4.333 4.470 -0.000 0.000 0.229 47 S C 2.006 176.621 174.600 0.025 0.000 1.052 47 S CA 1.338 59.553 58.200 0.025 0.000 1.084 47 S CB -0.660 62.562 63.200 0.037 0.000 0.950 47 S HN 0.362 nan 8.310 nan 0.000 0.440 48 L N 0.857 122.098 121.223 0.029 0.000 2.017 48 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 48 L C 2.746 179.632 176.870 0.028 0.000 1.073 48 L CA 1.287 56.147 54.840 0.033 0.000 0.745 48 L CB -0.582 41.498 42.059 0.035 0.000 0.894 48 L HN 0.210 nan 8.230 nan 0.000 0.432 49 E N 0.230 120.443 120.200 0.022 0.000 2.077 49 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 49 E C 2.121 178.730 176.600 0.015 0.000 0.989 49 E CA 1.892 58.303 56.400 0.019 0.000 0.800 49 E CB -0.368 29.341 29.700 0.015 0.000 0.746 49 E HN 0.304 nan 8.360 nan 0.000 0.452 50 T N 0.490 115.050 114.554 0.010 0.000 2.684 50 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 50 T C 1.782 176.482 174.700 0.000 0.000 1.036 50 T CA 1.929 64.030 62.100 0.002 0.000 1.148 50 T CB -0.547 68.319 68.868 -0.002 0.000 0.863 50 T HN 0.349 nan 8.240 nan 0.000 0.436 51 A N 1.737 124.559 122.820 0.003 0.000 1.865 51 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 51 A C 2.259 179.858 177.584 0.025 0.000 1.191 51 A CA 1.810 53.847 52.037 0.001 0.000 0.623 51 A CB -0.518 18.488 19.000 0.010 0.000 0.826 51 A HN 0.476 nan 8.150 nan 0.000 0.444 52 K N -0.941 119.481 120.400 0.038 0.000 2.063 52 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 52 K C 2.414 179.033 176.600 0.031 0.000 1.048 52 K CA 1.601 57.915 56.287 0.045 0.000 0.928 52 K CB -0.200 32.325 32.500 0.041 0.000 0.713 52 K HN 0.481 nan 8.250 nan 0.000 0.442 53 R N 0.577 121.088 120.500 0.019 0.000 2.066 53 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 53 R C 2.379 178.682 176.300 0.005 0.000 1.131 53 R CA 1.666 57.772 56.100 0.010 0.000 0.955 53 R CB -0.538 29.765 30.300 0.005 0.000 0.851 53 R HN 0.298 nan 8.270 nan 0.000 0.432 54 G N 0.811 109.613 108.800 0.003 0.000 2.476 54 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.218 54 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.218 54 G C 1.442 176.353 174.900 0.018 0.000 1.164 54 G CA 0.972 46.073 45.100 0.001 0.000 0.768 54 G HN 0.345 nan 8.290 nan 0.000 0.560 55 R N -0.144 120.380 120.500 0.040 0.000 2.070 55 R HA 0.008 4.348 4.340 -0.000 0.000 0.233 55 R C 2.830 179.132 176.300 0.003 0.000 1.137 55 R CA 1.379 57.516 56.100 0.062 0.000 0.945 55 R CB -0.340 30.024 30.300 0.106 0.000 0.845 55 R HN 0.244 nan 8.270 nan 0.000 0.430 56 R N 0.763 121.263 120.500 0.000 0.000 2.083 56 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 56 R C 2.228 178.506 176.300 -0.036 0.000 1.137 56 R CA 1.867 57.955 56.100 -0.020 0.000 0.951 56 R CB -0.138 30.162 30.300 -0.002 0.000 0.851 56 R HN 0.397 nan 8.270 nan 0.000 0.434 57 E N 0.079 120.264 120.200 -0.026 0.000 2.047 57 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 57 E C 2.112 178.679 176.600 -0.054 0.000 0.987 57 E CA 1.023 57.402 56.400 -0.035 0.000 0.799 57 E CB -0.165 29.518 29.700 -0.029 0.000 0.752 57 E HN 0.367 nan 8.360 nan 0.000 0.449 58 A N 1.820 124.611 122.820 -0.048 0.000 1.883 58 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 58 A C 2.260 179.784 177.584 -0.100 0.000 1.186 58 A CA 1.326 53.326 52.037 -0.062 0.000 0.624 58 A CB -0.820 18.187 19.000 0.012 0.000 0.822 58 A HN 0.141 nan 8.150 nan 0.000 0.444 59 I N 0.028 120.519 120.570 -0.131 0.000 2.087 59 I HA -0.340 3.830 4.170 -0.000 0.000 0.240 59 I C 1.999 178.046 176.117 -0.116 0.000 1.054 59 I CA 1.929 63.091 61.300 -0.230 0.000 1.311 59 I CB -0.617 37.165 38.000 -0.363 0.000 1.024 59 I HN 0.265 nan 8.210 nan 0.000 0.402 60 D N 0.637 120.990 120.400 -0.079 0.000 2.182 60 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 60 D C 2.195 178.465 176.300 -0.050 0.000 0.986 60 D CA 1.307 55.279 54.000 -0.046 0.000 0.847 60 D CB -0.147 40.633 40.800 -0.034 0.000 0.942 60 D HN 0.393 nan 8.370 nan 0.000 0.467 61 I N 0.719 121.245 120.570 -0.074 0.000 2.277 61 I HA -0.141 4.029 4.170 -0.000 0.000 0.243 61 I C 2.400 178.455 176.117 -0.103 0.000 1.094 61 I CA 0.586 61.834 61.300 -0.086 0.000 1.393 61 I CB -0.187 37.749 38.000 -0.107 0.000 1.078 61 I HN 0.000 nan 8.210 nan 0.000 0.417 62 I N -0.990 119.497 120.570 -0.138 0.000 2.546 62 I HA -0.140 4.029 4.170 -0.000 0.000 0.255 62 I C 2.327 178.414 176.117 -0.051 0.000 1.163 62 I CA 1.551 62.752 61.300 -0.166 0.000 1.457 62 I CB -0.893 36.930 38.000 -0.294 0.000 1.092 62 I HN 0.167 nan 8.210 nan 0.000 0.434 63 T N -1.973 112.575 114.554 -0.011 0.000 3.113 63 T HA 0.395 4.744 4.350 -0.000 0.000 0.256 63 T C 1.596 176.305 174.700 0.016 0.000 1.131 63 T CA 0.458 62.577 62.100 0.031 0.000 1.074 63 T CB 0.159 69.062 68.868 0.058 0.000 0.944 63 T HN 0.756 nan 8.240 nan 0.000 0.516 64 G N 1.934 110.731 108.800 -0.005 0.000 2.176 64 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 64 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 64 G C 0.704 175.603 174.900 -0.003 0.000 0.986 64 G CA 0.129 45.227 45.100 -0.003 0.000 0.643 64 G HN 0.555 nan 8.290 nan 0.000 0.522 65 K N 0.156 120.555 120.400 -0.003 0.000 2.458 65 K HA 0.204 4.523 4.320 -0.000 0.000 0.194 65 K C -0.122 176.473 176.600 -0.008 0.000 1.024 65 K CA 0.330 56.616 56.287 -0.001 0.000 1.108 65 K CB 0.534 33.036 32.500 0.004 0.000 0.846 65 K HN 0.344 nan 8.250 nan 0.000 0.518 66 D N 1.190 121.580 120.400 -0.016 0.000 2.970 66 D HA 0.005 4.645 4.640 -0.000 0.000 0.230 66 D C -0.644 175.642 176.300 -0.023 0.000 1.276 66 D CA -0.443 53.545 54.000 -0.020 0.000 0.910 66 D CB 1.635 42.419 40.800 -0.028 0.000 1.590 66 D HN 0.008 nan 8.370 nan 0.000 0.551 67 D N 2.153 122.542 120.400 -0.019 0.000 2.339 67 D HA 0.030 4.669 4.640 -0.000 0.000 0.217 67 D C 0.421 176.708 176.300 -0.021 0.000 1.050 67 D CA -0.098 53.891 54.000 -0.018 0.000 0.856 67 D CB 0.128 40.921 40.800 -0.011 0.000 0.922 67 D HN 0.176 nan 8.370 nan 0.000 0.518 68 R N 0.095 120.579 120.500 -0.027 0.000 2.827 68 R HA 0.337 4.676 4.340 -0.000 0.000 0.269 68 R C -0.167 176.108 176.300 -0.042 0.000 1.048 68 R CA -0.411 55.670 56.100 -0.032 0.000 1.173 68 R CB 0.865 31.144 30.300 -0.035 0.000 1.070 68 R HN -0.070 nan 8.270 nan 0.000 0.498 69 V N 2.860 122.748 119.914 -0.044 0.000 2.439 69 V HA 0.094 4.214 4.120 -0.000 0.000 0.282 69 V C -0.032 176.013 176.094 -0.081 0.000 1.039 69 V CA -0.700 61.565 62.300 -0.059 0.000 0.913 69 V CB 1.392 33.189 31.823 -0.043 0.000 0.983 69 V HN 0.414 nan 8.190 nan 0.000 0.460 70 L N 6.915 128.071 121.223 -0.111 0.000 2.410 70 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 70 L C -0.222 176.557 176.870 -0.151 0.000 1.144 70 L CA 0.768 55.524 54.840 -0.140 0.000 0.863 70 L CB 0.924 42.867 42.059 -0.193 0.000 1.140 70 L HN 0.455 nan 8.230 nan 0.000 0.463 71 V N 6.967 126.794 119.914 -0.145 0.000 2.407 71 V HA 0.386 4.506 4.120 -0.000 0.000 0.291 71 V C -0.200 175.794 176.094 -0.168 0.000 1.018 71 V CA -0.683 61.522 62.300 -0.159 0.000 0.842 71 V CB 1.497 33.247 31.823 -0.121 0.000 0.996 71 V HN 0.462 nan 8.190 nan 0.000 0.426 72 I N 5.880 126.321 120.570 -0.215 0.000 2.297 72 I HA 0.518 4.688 4.170 -0.000 0.000 0.291 72 I C -0.134 175.912 176.117 -0.119 0.000 1.033 72 I CA -0.301 60.881 61.300 -0.197 0.000 1.253 72 I CB 1.151 38.958 38.000 -0.322 0.000 1.396 72 I HN 0.378 nan 8.210 nan 0.000 0.476 73 V N 5.810 125.699 119.914 -0.042 0.000 2.808 73 V HA 0.998 5.118 4.120 -0.000 0.000 0.308 73 V C -0.134 176.017 176.094 0.095 0.000 1.099 73 V CA 0.379 62.682 62.300 0.007 0.000 0.920 73 V CB 1.770 33.612 31.823 0.032 0.000 1.014 73 V HN 1.037 nan 8.190 nan 0.000 0.425 74 G N 5.907 114.728 108.800 0.035 0.000 2.339 74 G HA2 0.230 4.190 3.960 -0.000 0.000 0.275 74 G HA3 0.230 4.190 3.960 -0.000 0.000 0.275 74 G C -3.496 171.255 174.900 -0.247 0.000 1.323 74 G CA -0.359 44.668 45.100 -0.121 0.000 0.927 74 G HN 0.674 nan 8.290 nan 0.000 0.486 75 P HA 0.248 nan 4.420 nan 0.000 0.269 75 P C 1.213 178.427 177.300 -0.143 0.000 1.215 75 P CA 0.071 63.021 63.100 -0.249 0.000 0.780 75 P CB 1.074 32.625 31.700 -0.248 0.000 0.898 76 C N 1.810 121.049 119.300 -0.101 0.000 2.413 76 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 76 C C 1.022 176.034 174.990 0.036 0.000 1.228 76 C CA 1.927 60.912 59.018 -0.054 0.000 1.731 76 C CB -1.342 26.396 27.740 -0.004 0.000 2.042 76 C HN 0.759 nan 8.230 nan 0.000 0.468 77 S N -0.403 115.367 115.700 0.117 0.000 2.556 77 S HA 0.662 5.132 4.470 -0.000 0.000 0.271 77 S C -1.195 173.551 174.600 0.243 0.000 1.135 77 S CA -0.767 57.582 58.200 0.248 0.000 0.858 77 S CB 1.147 64.568 63.200 0.368 0.000 1.114 77 S HN 0.227 nan 8.310 nan 0.000 0.468 78 I N 3.427 124.160 120.570 0.272 0.000 2.307 78 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 78 I C 0.827 177.107 176.117 0.272 0.000 1.021 78 I CA -0.327 61.066 61.300 0.155 0.000 1.224 78 I CB 0.281 38.357 38.000 0.127 0.000 1.376 78 I HN 1.132 nan 8.210 nan 0.000 0.470 79 H N 2.313 121.377 119.070 -0.009 0.000 2.740 79 H HA 0.294 4.850 4.556 -0.000 0.000 0.265 79 H C -0.130 175.114 175.328 -0.140 0.000 0.978 79 H CA -0.279 55.634 56.048 -0.226 0.000 1.198 79 H CB 0.676 29.905 29.762 -0.888 0.000 1.467 79 H HN 0.402 nan 8.280 nan 0.000 0.511 80 D N 0.670 120.724 120.400 -0.576 0.000 2.473 80 D HA 0.089 4.728 4.640 -0.000 0.000 0.253 80 D C 0.371 176.542 176.300 -0.216 0.000 1.233 80 D CA -0.538 53.213 54.000 -0.415 0.000 0.908 80 D CB 1.421 41.840 40.800 -0.636 0.000 1.170 80 D HN 0.114 nan 8.370 nan 0.000 0.558 81 L N 3.338 124.507 121.223 -0.090 0.000 2.201 81 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 81 L C 1.963 178.821 176.870 -0.019 0.000 1.105 81 L CA 1.452 56.273 54.840 -0.032 0.000 0.775 81 L CB -0.323 41.736 42.059 -0.000 0.000 0.913 81 L HN 0.404 nan 8.230 nan 0.000 0.440 82 E N -0.561 119.633 120.200 -0.009 0.000 2.072 82 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 82 E C 2.357 178.996 176.600 0.065 0.000 0.982 82 E CA 1.229 57.655 56.400 0.043 0.000 0.803 82 E CB -0.505 29.242 29.700 0.077 0.000 0.755 82 E HN 0.402 nan 8.360 nan 0.000 0.453 83 A N 0.994 123.808 122.820 -0.010 0.000 1.930 83 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 83 A C 2.349 179.867 177.584 -0.109 0.000 1.175 83 A CA 1.719 53.653 52.037 -0.172 0.000 0.627 83 A CB -0.791 17.898 19.000 -0.517 0.000 0.815 83 A HN 0.268 nan 8.150 nan 0.000 0.443 84 A N -1.081 121.681 122.820 -0.097 0.000 1.972 84 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 84 A C 2.133 179.739 177.584 0.035 0.000 1.169 84 A CA 2.069 54.085 52.037 -0.036 0.000 0.635 84 A CB -0.407 18.579 19.000 -0.024 0.000 0.810 84 A HN 0.526 nan 8.150 nan 0.000 0.446 85 Q N -0.245 119.567 119.800 0.020 0.000 2.096 85 Q HA -0.095 4.245 4.340 -0.000 0.000 0.197 85 Q C 1.976 177.977 176.000 0.001 0.000 0.964 85 Q CA 1.854 57.669 55.803 0.020 0.000 0.838 85 Q CB -0.292 28.457 28.738 0.017 0.000 0.906 85 Q HN 0.744 nan 8.270 nan 0.000 0.444 86 E N -1.136 119.071 120.200 0.012 0.000 2.038 86 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 86 E C 1.787 178.322 176.600 -0.110 0.000 1.000 86 E CA 1.340 57.726 56.400 -0.022 0.000 0.803 86 E CB -0.318 29.417 29.700 0.058 0.000 0.750 86 E HN 0.508 nan 8.360 nan 0.000 0.448 87 Y N 0.671 120.855 120.300 -0.194 0.000 2.081 87 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 87 Y C 2.101 177.853 175.900 -0.247 0.000 1.163 87 Y CA 2.187 60.128 58.100 -0.266 0.000 1.135 87 Y CB -0.521 37.832 38.460 -0.179 0.000 0.970 87 Y HN 0.134 nan 8.280 nan 0.000 0.498 88 A N -0.315 122.503 122.820 -0.003 0.000 1.933 88 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 88 A C 2.071 179.565 177.584 -0.151 0.000 1.175 88 A CA 1.647 53.661 52.037 -0.038 0.000 0.628 88 A CB -0.992 18.030 19.000 0.037 0.000 0.814 88 A HN 0.479 nan 8.150 nan 0.000 0.444 89 L N -0.040 121.087 121.223 -0.159 0.000 2.046 89 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 89 L C 2.604 179.335 176.870 -0.233 0.000 1.077 89 L CA 1.721 56.467 54.840 -0.156 0.000 0.747 89 L CB -1.003 40.979 42.059 -0.127 0.000 0.896 89 L HN 0.388 nan 8.230 nan 0.000 0.432 90 R N -1.117 119.126 120.500 -0.429 0.000 2.073 90 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 90 R C 2.110 178.166 176.300 -0.406 0.000 1.134 90 R CA 1.408 57.142 56.100 -0.609 0.000 0.952 90 R CB -0.739 28.699 30.300 -1.436 0.000 0.850 90 R HN 0.225 nan 8.270 nan 0.000 0.433 91 L N 1.598 122.529 121.223 -0.486 0.000 2.141 91 L HA -0.119 4.220 4.340 -0.000 0.000 0.209 91 L C 2.177 179.031 176.870 -0.026 0.000 1.094 91 L CA 1.757 56.525 54.840 -0.119 0.000 0.763 91 L CB -0.301 41.627 42.059 -0.219 0.000 0.908 91 L HN -0.093 nan 8.230 nan 0.000 0.437 92 K N -0.031 120.324 120.400 -0.075 0.000 2.148 92 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 92 K C 2.189 178.781 176.600 -0.013 0.000 1.050 92 K CA 1.593 57.859 56.287 -0.034 0.000 0.942 92 K CB -0.205 32.270 32.500 -0.042 0.000 0.724 92 K HN 0.313 nan 8.250 nan 0.000 0.446 93 K N -0.262 120.129 120.400 -0.015 0.000 2.116 93 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 93 K C 1.920 178.544 176.600 0.041 0.000 1.052 93 K CA 0.801 57.091 56.287 0.006 0.000 0.952 93 K CB -0.131 32.366 32.500 -0.005 0.000 0.729 93 K HN 0.129 nan 8.250 nan 0.000 0.446 94 L N 1.479 122.757 121.223 0.092 0.000 2.042 94 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 94 L C 2.283 179.180 176.870 0.044 0.000 1.076 94 L CA 2.331 57.232 54.840 0.103 0.000 0.749 94 L CB -0.805 41.373 42.059 0.198 0.000 0.893 94 L HN 0.265 nan 8.230 nan 0.000 0.432 95 S N -1.867 113.854 115.700 0.035 0.000 2.383 95 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 95 S C 1.770 176.372 174.600 0.004 0.000 1.026 95 S CA 0.982 59.188 58.200 0.011 0.000 0.981 95 S CB -0.751 62.453 63.200 0.006 0.000 0.818 95 S HN 0.496 nan 8.310 nan 0.000 0.472 96 D N 1.661 122.064 120.400 0.005 0.000 2.133 96 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 96 D C 1.952 178.252 176.300 0.001 0.000 0.997 96 D CA 1.609 55.609 54.000 0.001 0.000 0.840 96 D CB -0.464 40.336 40.800 0.001 0.000 0.947 96 D HN 0.741 nan 8.370 nan 0.000 0.452 97 E N 0.161 120.365 120.200 0.006 0.000 2.051 97 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 97 E C 1.763 178.361 176.600 -0.003 0.000 0.991 97 E CA 0.621 57.023 56.400 0.003 0.000 0.799 97 E CB 0.038 29.743 29.700 0.008 0.000 0.748 97 E HN 0.224 nan 8.360 nan 0.000 0.449 98 L N 1.256 122.476 121.223 -0.006 0.000 2.628 98 L HA 0.101 4.441 4.340 -0.000 0.000 0.229 98 L C 2.063 178.924 176.870 -0.014 0.000 1.137 98 L CA 0.002 54.834 54.840 -0.013 0.000 0.909 98 L CB -0.124 41.923 42.059 -0.019 0.000 1.137 98 L HN 0.134 nan 8.230 nan 0.000 0.470 99 K N 0.431 120.824 120.400 -0.011 0.000 2.362 99 K HA -0.072 4.248 4.320 -0.000 0.000 0.200 99 K C 1.700 178.291 176.600 -0.014 0.000 1.046 99 K CA 1.354 57.633 56.287 -0.013 0.000 0.952 99 K CB -0.219 32.275 32.500 -0.010 0.000 0.753 99 K HN 0.212 nan 8.250 nan 0.000 0.466 100 G N 1.303 110.096 108.800 -0.013 0.000 2.511 100 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 100 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 100 G C 0.808 175.699 174.900 -0.015 0.000 1.133 100 G CA 0.575 45.668 45.100 -0.012 0.000 0.792 100 G HN 0.358 nan 8.290 nan 0.000 0.539 101 D N -0.597 119.793 120.400 -0.017 0.000 2.423 101 D HA 0.205 4.845 4.640 -0.000 0.000 0.212 101 D C 0.760 177.045 176.300 -0.025 0.000 1.060 101 D CA 0.190 54.179 54.000 -0.019 0.000 0.872 101 D CB 1.020 41.809 40.800 -0.018 0.000 1.012 101 D HN 0.210 nan 8.370 nan 0.000 0.503 102 L N 0.101 121.307 121.223 -0.028 0.000 2.401 102 L HA 0.382 4.722 4.340 -0.000 0.000 0.266 102 L C -0.538 176.309 176.870 -0.038 0.000 0.991 102 L CA -0.686 54.132 54.840 -0.037 0.000 0.818 102 L CB 2.719 44.756 42.059 -0.038 0.000 1.321 102 L HN -0.257 nan 8.230 nan 0.000 0.413 103 S N 2.996 118.667 115.700 -0.049 0.000 2.520 103 S HA 0.600 5.070 4.470 -0.000 0.000 0.324 103 S C -0.630 173.937 174.600 -0.056 0.000 1.069 103 S CA -0.453 57.719 58.200 -0.048 0.000 1.121 103 S CB 0.222 63.390 63.200 -0.053 0.000 0.971 103 S HN 0.413 nan 8.310 nan 0.000 0.463 104 I N 5.954 126.500 120.570 -0.040 0.000 2.331 104 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 104 I C -0.334 175.764 176.117 -0.032 0.000 0.998 104 I CA -0.428 60.851 61.300 -0.036 0.000 1.267 104 I CB 1.213 39.205 38.000 -0.014 0.000 1.386 104 I HN 0.516 nan 8.210 nan 0.000 0.476 105 I N 6.745 127.289 120.570 -0.044 0.000 2.466 105 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 105 I C -0.248 175.867 176.117 -0.003 0.000 1.026 105 I CA -0.674 60.605 61.300 -0.034 0.000 1.078 105 I CB 2.026 39.990 38.000 -0.061 0.000 1.249 105 I HN 0.570 nan 8.210 nan 0.000 0.429 106 M N 6.004 125.619 119.600 0.026 0.000 2.162 106 M HA 0.309 4.789 4.480 -0.000 0.000 0.356 106 M C 0.004 176.350 176.300 0.076 0.000 1.303 106 M CA -0.137 55.209 55.300 0.078 0.000 1.116 106 M CB 0.448 33.107 32.600 0.099 0.000 1.632 106 M HN 0.465 nan 8.290 nan 0.000 0.469 107 R N 3.920 124.481 120.500 0.102 0.000 2.458 107 R HA 0.209 4.549 4.340 -0.000 0.000 0.303 107 R C -0.501 175.912 176.300 0.189 0.000 1.013 107 R CA 0.197 56.413 56.100 0.193 0.000 1.026 107 R CB 0.156 30.464 30.300 0.014 0.000 0.948 107 R HN 0.748 nan 8.270 nan 0.000 0.417 108 A N 4.989 127.962 122.820 0.255 0.000 3.105 108 A HA 0.272 4.592 4.320 -0.000 0.000 0.336 108 A C -1.296 176.486 177.584 0.330 0.000 1.042 108 A CA -0.545 51.609 52.037 0.196 0.000 0.851 108 A CB 0.286 19.272 19.000 -0.023 0.000 1.068 108 A HN 0.569 nan 8.150 nan 0.000 0.477 109 Y N 0.348 120.723 120.300 0.124 0.000 2.352 109 Y HA 0.448 4.998 4.550 -0.000 0.000 0.326 109 Y C 0.919 176.902 175.900 0.138 0.000 1.166 109 Y CA -0.902 57.275 58.100 0.130 0.000 1.182 109 Y CB 1.466 39.984 38.460 0.097 0.000 1.216 109 Y HN 0.351 nan 8.280 nan 0.000 0.474 110 L N 1.085 122.430 121.223 0.204 0.000 2.590 110 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 110 L C 0.174 177.008 176.870 -0.060 0.000 1.099 110 L CA 0.509 55.400 54.840 0.085 0.000 0.872 110 L CB -0.579 41.478 42.059 -0.004 0.000 1.088 110 L HN 0.767 nan 8.230 nan 0.000 0.479 111 E N -1.103 119.091 120.200 -0.010 0.000 2.407 111 E HA 0.299 4.649 4.350 -0.000 0.000 0.279 111 E C -1.020 175.605 176.600 0.042 0.000 1.012 111 E CA -0.900 55.431 56.400 -0.115 0.000 0.800 111 E CB 2.058 31.636 29.700 -0.202 0.000 1.276 111 E HN -0.085 nan 8.360 nan 0.000 0.452 112 K N 2.123 122.540 120.400 0.028 0.000 2.159 112 K HA 0.380 4.700 4.320 -0.000 0.000 0.266 112 K C -2.361 174.256 176.600 0.027 0.000 0.975 112 K CA -1.913 54.419 56.287 0.074 0.000 0.865 112 K CB 0.911 33.473 32.500 0.103 0.000 1.087 112 K HN 0.284 nan 8.250 nan 0.000 0.446 113 P HA -0.106 nan 4.420 nan 0.000 0.257 113 P C -0.893 176.408 177.300 0.002 0.000 1.162 113 P CA 0.373 63.473 63.100 -0.000 0.000 0.762 113 P CB 0.221 31.915 31.700 -0.010 0.000 0.753 114 R N 2.554 123.047 120.500 -0.012 0.000 2.446 114 R HA 0.137 4.477 4.340 -0.000 0.000 0.325 114 R C -0.102 176.201 176.300 0.005 0.000 0.997 114 R CA 0.455 56.550 56.100 -0.009 0.000 1.010 114 R CB -0.192 30.099 30.300 -0.016 0.000 0.946 114 R HN 0.309 nan 8.270 nan 0.000 0.422 115 T N 3.925 118.488 114.554 0.015 0.000 2.801 115 T HA 0.083 4.433 4.350 -0.000 0.000 0.306 115 T C -0.243 174.470 174.700 0.021 0.000 1.020 115 T CA -0.228 61.884 62.100 0.021 0.000 0.948 115 T CB 0.865 69.751 68.868 0.030 0.000 0.962 115 T HN 0.652 nan 8.240 nan 0.000 0.465 116 T N 3.990 118.555 114.554 0.019 0.000 2.923 116 T HA 0.118 4.468 4.350 -0.000 0.000 0.309 116 T C 0.119 174.833 174.700 0.024 0.000 1.059 116 T CA 0.821 62.934 62.100 0.020 0.000 1.133 116 T CB -0.139 68.741 68.868 0.019 0.000 1.053 116 T HN 0.792 nan 8.240 nan 0.000 0.530 117 V N 2.702 122.632 119.914 0.026 0.000 3.493 117 V HA 0.196 4.316 4.120 -0.000 0.000 0.498 117 V C 0.282 176.397 176.094 0.036 0.000 0.682 117 V CA 1.105 63.422 62.300 0.029 0.000 2.046 117 V CB -1.041 30.797 31.823 0.025 0.000 2.479 117 V HN 1.748 nan 8.190 nan 0.000 0.507 118 G N 4.708 113.536 108.800 0.047 0.000 2.435 118 G HA2 0.255 4.215 3.960 -0.000 0.000 0.603 118 G HA3 0.255 4.215 3.960 -0.000 0.000 0.603 118 G C -0.985 173.980 174.900 0.108 0.000 1.496 118 G CA -0.216 44.929 45.100 0.076 0.000 0.896 118 G HN 2.114 nan 8.290 nan 0.000 0.657 119 W N 3.209 124.472 121.300 -0.062 0.000 2.476 119 W HA 0.284 4.944 4.660 -0.000 0.000 0.338 119 W C 1.243 177.723 176.519 -0.065 0.000 1.328 119 W CA 0.213 57.510 57.345 -0.079 0.000 1.300 119 W CB 0.501 29.910 29.460 -0.086 0.000 1.252 119 W HN 0.571 nan 8.180 nan 0.000 0.568 120 K N 5.276 125.416 120.400 -0.433 0.000 2.525 120 K HA 0.250 4.570 4.320 -0.000 0.000 0.192 120 K C 1.039 177.125 176.600 -0.857 0.000 1.029 120 K CA 0.657 56.631 56.287 -0.521 0.000 1.029 120 K CB -0.398 31.866 32.500 -0.393 0.000 0.814 120 K HN 0.777 nan 8.250 nan 0.000 0.503 121 G N 0.766 108.430 108.800 -1.893 0.000 2.710 121 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.668 121 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.668 121 G C -0.011 174.252 174.900 -1.062 0.000 1.320 121 G CA -0.600 43.343 45.100 -1.928 0.000 0.860 121 G HN 0.066 nan 8.290 nan 0.000 0.538 122 L N 0.321 121.271 121.223 -0.455 0.000 2.141 122 L HA 0.215 4.555 4.340 -0.000 0.000 0.209 122 L C 2.740 179.576 176.870 -0.056 0.000 1.094 122 L CA 2.203 57.064 54.840 0.036 0.000 0.763 122 L CB -0.517 41.619 42.059 0.130 0.000 0.908 122 L HN 0.622 nan 8.230 nan 0.000 0.437 123 I N -0.965 119.515 120.570 -0.150 0.000 2.193 123 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 123 I C 2.021 178.077 176.117 -0.102 0.000 1.084 123 I CA 0.910 62.132 61.300 -0.130 0.000 1.365 123 I CB -0.417 37.498 38.000 -0.140 0.000 1.064 123 I HN 0.278 nan 8.210 nan 0.000 0.410 124 N N 0.136 118.746 118.700 -0.150 0.000 2.171 124 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 124 N C 0.443 175.835 175.510 -0.196 0.000 1.021 124 N CA 1.275 54.256 53.050 -0.116 0.000 0.854 124 N CB -0.025 38.344 38.487 -0.196 0.000 0.994 124 N HN 0.239 nan 8.380 nan 0.000 0.426 125 D N -0.527 119.761 120.400 -0.188 0.000 2.735 125 D HA 0.185 4.825 4.640 -0.000 0.000 0.291 125 D C -2.135 174.287 176.300 0.203 0.000 1.205 125 D CA -1.588 52.375 54.000 -0.062 0.000 0.777 125 D CB 0.855 41.580 40.800 -0.125 0.000 1.234 125 D HN 0.002 nan 8.370 nan 0.000 0.520 126 P HA 0.013 nan 4.420 nan 0.000 0.229 126 P C 0.401 177.781 177.300 0.134 0.000 1.160 126 P CA 0.590 63.792 63.100 0.169 0.000 0.777 126 P CB 0.559 32.305 31.700 0.076 0.000 0.814 127 D N -0.400 120.056 120.400 0.093 0.000 2.349 127 D HA 0.032 4.671 4.640 -0.000 0.000 0.215 127 D C 0.555 176.876 176.300 0.034 0.000 1.016 127 D CA 0.121 54.151 54.000 0.050 0.000 0.870 127 D CB 0.071 40.889 40.800 0.030 0.000 0.917 127 D HN -0.120 nan 8.370 nan 0.000 0.524 128 V N 2.284 122.248 119.914 0.083 0.000 5.820 128 V HA -0.288 3.832 4.120 -0.000 0.000 0.300 128 V C 0.230 176.308 176.094 -0.027 0.000 0.585 128 V CA 1.078 63.370 62.300 -0.013 0.000 0.629 128 V CB -2.242 29.421 31.823 -0.266 0.000 0.291 128 V HN 0.472 nan 8.190 nan 0.000 0.887 129 N N -0.738 117.973 118.700 0.019 0.000 2.471 129 N HA 0.164 4.904 4.740 -0.000 0.000 0.270 129 N C 0.144 175.654 175.510 -0.001 0.000 1.490 129 N CA 0.032 53.082 53.050 0.000 0.000 0.850 129 N CB -0.086 38.401 38.487 -0.001 0.000 1.411 129 N HN 0.505 nan 8.380 nan 0.000 0.488 130 N N 0.129 118.827 118.700 -0.003 0.000 2.716 130 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 130 N C -1.023 174.444 175.510 -0.073 0.000 1.033 130 N CA 1.494 54.509 53.050 -0.057 0.000 0.727 130 N CB -1.266 37.213 38.487 -0.014 0.000 0.950 130 N HN 0.721 nan 8.380 nan 0.000 0.541 131 T N -3.501 110.999 114.554 -0.090 0.000 2.940 131 T HA 0.699 5.049 4.350 -0.000 0.000 0.288 131 T C -0.028 174.551 174.700 -0.201 0.000 1.045 131 T CA -0.809 61.268 62.100 -0.039 0.000 1.018 131 T CB 0.997 69.888 68.868 0.039 0.000 1.151 131 T HN 0.064 nan 8.240 nan 0.000 0.529 132 F N 1.552 121.506 119.950 0.006 0.000 2.436 132 F HA 0.595 5.122 4.527 -0.000 0.000 0.340 132 F C 0.697 176.493 175.800 -0.006 0.000 1.113 132 F CA -0.772 57.223 58.000 -0.008 0.000 1.022 132 F CB 1.423 40.411 39.000 -0.020 0.000 1.128 132 F HN 0.559 nan 8.300 nan 0.000 0.466 133 N N 3.800 122.580 118.700 0.135 0.000 2.722 133 N HA 0.208 4.948 4.740 -0.000 0.000 0.242 133 N C 0.278 175.814 175.510 0.043 0.000 1.398 133 N CA -0.080 53.019 53.050 0.081 0.000 0.755 133 N CB 0.316 38.831 38.487 0.047 0.000 1.268 133 N HN 0.410 nan 8.380 nan 0.000 0.522 134 I N 1.123 121.723 120.570 0.049 0.000 2.286 134 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 134 I C 2.066 178.143 176.117 -0.065 0.000 1.115 134 I CA 0.790 62.084 61.300 -0.011 0.000 1.392 134 I CB -0.163 37.832 38.000 -0.008 0.000 1.065 134 I HN 0.456 nan 8.210 nan 0.000 0.418 135 N N 0.666 119.340 118.700 -0.042 0.000 2.061 135 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 135 N C 1.960 177.438 175.510 -0.055 0.000 1.030 135 N CA 1.344 54.361 53.050 -0.054 0.000 0.856 135 N CB -0.336 38.142 38.487 -0.015 0.000 1.023 135 N HN 0.406 nan 8.380 nan 0.000 0.424 136 K N 0.635 121.019 120.400 -0.027 0.000 2.211 136 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 136 K C 1.928 178.505 176.600 -0.038 0.000 1.050 136 K CA 1.170 57.444 56.287 -0.022 0.000 0.945 136 K CB -0.211 32.289 32.500 0.000 0.000 0.732 136 K HN 0.154 nan 8.250 nan 0.000 0.451 137 G N 1.175 109.944 108.800 -0.052 0.000 2.402 137 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 137 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 137 G C 1.458 176.281 174.900 -0.128 0.000 1.162 137 G CA 0.387 45.446 45.100 -0.069 0.000 0.777 137 G HN 0.188 nan 8.290 nan 0.000 0.539 138 L N 0.124 121.238 121.223 -0.181 0.000 2.109 138 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 138 L C 2.982 179.737 176.870 -0.192 0.000 1.086 138 L CA 1.363 56.042 54.840 -0.270 0.000 0.760 138 L CB -0.379 41.398 42.059 -0.469 0.000 0.910 138 L HN 0.342 nan 8.230 nan 0.000 0.437 139 Q N 0.211 119.937 119.800 -0.125 0.000 2.061 139 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 139 Q C 2.154 178.114 176.000 -0.068 0.000 0.984 139 Q CA 2.427 58.187 55.803 -0.070 0.000 0.846 139 Q CB -0.061 28.654 28.738 -0.038 0.000 0.902 139 Q HN 0.474 nan 8.270 nan 0.000 0.421 140 S N 1.165 116.828 115.700 -0.061 0.000 2.382 140 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 140 S C 2.134 176.684 174.600 -0.083 0.000 1.027 140 S CA 1.006 59.181 58.200 -0.043 0.000 0.991 140 S CB -0.455 62.740 63.200 -0.008 0.000 0.823 140 S HN 0.587 nan 8.310 nan 0.000 0.469 141 A N 2.070 124.793 122.820 -0.161 0.000 1.902 141 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 141 A C 2.160 179.457 177.584 -0.478 0.000 1.181 141 A CA 1.688 53.526 52.037 -0.332 0.000 0.623 141 A CB -0.560 18.186 19.000 -0.424 0.000 0.818 141 A HN 0.450 nan 8.150 nan 0.000 0.443 142 R N -1.102 119.212 120.500 -0.310 0.000 2.073 142 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 142 R C 2.390 178.670 176.300 -0.035 0.000 1.120 142 R CA 1.667 57.655 56.100 -0.186 0.000 0.967 142 R CB -0.289 29.966 30.300 -0.076 0.000 0.862 142 R HN 0.491 nan 8.270 nan 0.000 0.436 143 Q N 0.949 120.735 119.800 -0.024 0.000 2.077 143 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 143 Q C 1.982 178.020 176.000 0.063 0.000 0.989 143 Q CA 1.994 57.810 55.803 0.022 0.000 0.853 143 Q CB -0.525 28.219 28.738 0.011 0.000 0.907 143 Q HN 0.387 nan 8.270 nan 0.000 0.418 144 L N -0.519 120.743 121.223 0.065 0.000 1.990 144 L HA -0.172 4.167 4.340 -0.000 0.000 0.213 144 L C 1.982 179.025 176.870 0.288 0.000 1.072 144 L CA 1.930 56.859 54.840 0.148 0.000 0.755 144 L CB -0.890 41.262 42.059 0.155 0.000 0.889 144 L HN 0.237 nan 8.230 nan 0.000 0.432 145 F N -0.618 119.340 119.950 0.013 0.000 2.120 145 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 145 F C 2.525 178.331 175.800 0.011 0.000 1.095 145 F CA 1.390 59.396 58.000 0.010 0.000 1.249 145 F CB -1.493 37.509 39.000 0.004 0.000 0.995 145 F HN -0.023 nan 8.300 nan 0.000 0.480 146 V N 0.300 120.339 119.914 0.208 0.000 2.270 146 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 146 V C 2.259 178.402 176.094 0.082 0.000 1.043 146 V CA 1.913 64.282 62.300 0.116 0.000 1.014 146 V CB -0.742 31.131 31.823 0.084 0.000 0.645 146 V HN 0.248 nan 8.190 nan 0.000 0.447 147 N N 0.376 119.125 118.700 0.080 0.000 2.060 147 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 147 N C 1.729 177.268 175.510 0.048 0.000 1.028 147 N CA 1.737 54.821 53.050 0.056 0.000 0.861 147 N CB -0.575 37.946 38.487 0.057 0.000 1.029 147 N HN 0.403 nan 8.380 nan 0.000 0.428 148 L N 0.186 121.446 121.223 0.061 0.000 2.023 148 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 148 L C 2.470 179.349 176.870 0.015 0.000 1.073 148 L CA 1.594 56.456 54.840 0.037 0.000 0.745 148 L CB -1.005 41.075 42.059 0.035 0.000 0.900 148 L HN 0.324 nan 8.230 nan 0.000 0.435 149 T N -3.525 111.037 114.554 0.013 0.000 2.951 149 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 149 T C 1.619 176.326 174.700 0.011 0.000 1.073 149 T CA 1.340 63.440 62.100 0.001 0.000 1.134 149 T CB -0.559 68.308 68.868 -0.002 0.000 0.884 149 T HN 0.169 nan 8.240 nan 0.000 0.479 150 N N 1.994 120.707 118.700 0.022 0.000 2.272 150 N HA -0.060 4.679 4.740 -0.000 0.000 0.185 150 N C 1.621 177.137 175.510 0.010 0.000 1.014 150 N CA 1.249 54.310 53.050 0.018 0.000 0.870 150 N CB -0.565 37.937 38.487 0.024 0.000 0.975 150 N HN 0.800 nan 8.380 nan 0.000 0.433 151 I N -4.508 116.065 120.570 0.006 0.000 3.812 151 I HA 0.366 4.536 4.170 -0.000 0.000 0.320 151 I C 0.905 177.018 176.117 -0.005 0.000 1.276 151 I CA 0.599 61.897 61.300 -0.002 0.000 1.164 151 I CB -0.361 37.634 38.000 -0.008 0.000 1.009 151 I HN 0.123 nan 8.210 nan 0.000 0.431 152 G N 2.131 110.929 108.800 -0.003 0.000 2.141 152 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.231 152 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.231 152 G C -0.302 174.592 174.900 -0.009 0.000 0.984 152 G CA 0.084 45.181 45.100 -0.005 0.000 0.660 152 G HN 0.373 nan 8.290 nan 0.000 0.525 153 L N 2.243 123.460 121.223 -0.010 0.000 2.255 153 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 153 L C -1.916 174.940 176.870 -0.024 0.000 1.046 153 L CA -2.597 52.235 54.840 -0.012 0.000 0.816 153 L CB 0.705 42.761 42.059 -0.005 0.000 1.197 153 L HN -0.103 nan 8.230 nan 0.000 0.427 154 P HA 0.249 nan 4.420 nan 0.000 0.269 154 P C -0.697 176.561 177.300 -0.069 0.000 1.215 154 P CA -0.032 63.039 63.100 -0.048 0.000 0.780 154 P CB 0.621 32.300 31.700 -0.034 0.000 0.898 155 I N -1.812 118.679 120.570 -0.132 0.000 3.108 155 I HA 0.938 5.108 4.170 -0.000 0.000 0.312 155 I C -0.469 175.543 176.117 -0.176 0.000 1.095 155 I CA -1.196 59.995 61.300 -0.182 0.000 1.000 155 I CB 2.499 40.278 38.000 -0.369 0.000 1.229 155 I HN 0.370 nan 8.210 nan 0.000 0.454 156 G N 1.077 109.820 108.800 -0.095 0.000 2.682 156 G HA2 0.612 4.572 3.960 -0.000 0.000 0.300 156 G HA3 0.612 4.572 3.960 -0.000 0.000 0.300 156 G C -1.730 173.129 174.900 -0.068 0.000 1.391 156 G CA -0.472 44.678 45.100 0.082 0.000 0.990 156 G HN 0.731 nan 8.290 nan 0.000 0.501 157 S N -0.450 115.059 115.700 -0.320 0.000 2.607 157 S HA 0.539 5.008 4.470 -0.000 0.000 0.273 157 S C -1.055 173.109 174.600 -0.726 0.000 1.148 157 S CA -0.668 57.152 58.200 -0.633 0.000 0.833 157 S CB 1.963 65.040 63.200 -0.204 0.000 1.130 157 S HN 0.759 nan 8.310 nan 0.000 0.470 158 E N 1.907 121.607 120.200 -0.833 0.000 2.313 158 E HA 0.272 4.622 4.350 -0.000 0.000 0.276 158 E C -0.659 175.802 176.600 -0.232 0.000 1.031 158 E CA -0.393 55.731 56.400 -0.460 0.000 0.857 158 E CB 0.497 30.034 29.700 -0.271 0.000 1.040 158 E HN 0.450 nan 8.360 nan 0.000 0.408 159 M N 6.456 125.955 119.600 -0.167 0.000 2.206 159 M HA 0.141 4.621 4.480 -0.000 0.000 0.353 159 M C 0.398 176.701 176.300 0.005 0.000 1.242 159 M CA 0.037 55.296 55.300 -0.067 0.000 1.179 159 M CB 0.405 32.965 32.600 -0.065 0.000 1.374 159 M HN 0.734 nan 8.290 nan 0.000 0.427 160 L N 1.416 122.645 121.223 0.009 0.000 2.131 160 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 160 L C 0.406 177.357 176.870 0.135 0.000 1.087 160 L CA 1.143 56.014 54.840 0.053 0.000 0.767 160 L CB -0.114 41.946 42.059 0.002 0.000 0.917 160 L HN 0.690 nan 8.230 nan 0.000 0.441 161 D N -4.675 115.739 120.400 0.023 0.000 2.768 161 D HA 0.058 4.698 4.640 -0.000 0.000 0.327 161 D C 0.476 176.700 176.300 -0.126 0.000 1.302 161 D CA 0.004 53.966 54.000 -0.063 0.000 0.897 161 D CB 0.658 41.455 40.800 -0.006 0.000 1.420 161 D HN -0.111 nan 8.370 nan 0.000 0.494 162 T N -2.143 112.330 114.554 -0.135 0.000 3.118 162 T HA 0.072 4.422 4.350 -0.000 0.000 0.260 162 T C 1.238 175.971 174.700 0.055 0.000 1.139 162 T CA 0.507 62.555 62.100 -0.085 0.000 1.085 162 T CB -0.235 68.623 68.868 -0.017 0.000 0.934 162 T HN 0.367 nan 8.240 nan 0.000 0.518 163 I N 2.299 122.910 120.570 0.068 0.000 2.900 163 I HA 0.090 4.260 4.170 -0.000 0.000 0.251 163 I C 2.857 179.103 176.117 0.215 0.000 1.102 163 I CA 1.066 62.449 61.300 0.138 0.000 1.457 163 I CB -1.404 36.684 38.000 0.146 0.000 1.285 163 I HN 0.412 nan 8.210 nan 0.000 0.459 164 S N 2.075 117.875 115.700 0.166 0.000 2.400 164 S HA -0.074 4.396 4.470 -0.000 0.000 0.232 164 S C -0.462 174.267 174.600 0.215 0.000 1.025 164 S CA 0.969 59.281 58.200 0.187 0.000 0.993 164 S CB -1.992 61.215 63.200 0.012 0.000 0.808 164 S HN 0.218 nan 8.310 nan 0.000 0.478 165 P HA -0.046 nan 4.420 nan 0.000 0.220 165 P C 1.646 179.041 177.300 0.158 0.000 1.148 165 P CA 0.954 64.146 63.100 0.154 0.000 0.803 165 P CB -0.120 31.649 31.700 0.115 0.000 0.782 166 Q N -1.777 118.092 119.800 0.116 0.000 2.291 166 Q HA -0.137 4.202 4.340 -0.000 0.000 0.206 166 Q C 1.552 177.511 176.000 -0.069 0.000 0.976 166 Q CA 1.412 57.213 55.803 -0.003 0.000 0.875 166 Q CB -0.559 28.111 28.738 -0.114 0.000 0.927 166 Q HN 0.459 nan 8.270 nan 0.000 0.450 167 Y N -0.914 119.395 120.300 0.014 0.000 2.519 167 Y HA -0.008 4.542 4.550 -0.000 0.000 0.287 167 Y C 1.718 177.617 175.900 -0.001 0.000 1.128 167 Y CA 0.645 58.739 58.100 -0.011 0.000 1.282 167 Y CB 0.470 38.904 38.460 -0.043 0.000 1.027 167 Y HN 0.004 nan 8.280 nan 0.000 0.551 168 L N -2.504 118.832 121.223 0.189 0.000 3.174 168 L HA 0.362 4.702 4.340 -0.000 0.000 0.283 168 L C 2.033 179.051 176.870 0.247 0.000 1.187 168 L CA 0.354 55.312 54.840 0.197 0.000 1.018 168 L CB -0.070 42.094 42.059 0.175 0.000 1.433 168 L HN -0.051 nan 8.230 nan 0.000 0.593 169 A N 1.129 124.083 122.820 0.223 0.000 2.019 169 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 169 A C 1.885 179.619 177.584 0.249 0.000 1.164 169 A CA 1.742 53.962 52.037 0.305 0.000 0.644 169 A CB -0.422 18.769 19.000 0.320 0.000 0.805 169 A HN 0.575 nan 8.150 nan 0.000 0.449 170 D N 0.129 120.630 120.400 0.170 0.000 2.309 170 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 170 D C 1.388 177.753 176.300 0.108 0.000 0.968 170 D CA 0.892 54.969 54.000 0.129 0.000 0.882 170 D CB -0.322 40.533 40.800 0.092 0.000 0.918 170 D HN 0.519 nan 8.370 nan 0.000 0.503 171 L N 0.084 121.374 121.223 0.112 0.000 2.664 171 L HA 0.191 4.531 4.340 -0.000 0.000 0.233 171 L C 0.215 177.038 176.870 -0.078 0.000 1.113 171 L CA -0.162 54.715 54.840 0.062 0.000 0.896 171 L CB 1.106 43.271 42.059 0.177 0.000 1.163 171 L HN -0.190 nan 8.230 nan 0.000 0.497 172 V N -0.804 119.017 119.914 -0.156 0.000 2.472 172 V HA 0.237 4.357 4.120 -0.000 0.000 0.290 172 V C 0.783 176.564 176.094 -0.522 0.000 1.037 172 V CA -0.016 62.002 62.300 -0.469 0.000 0.908 172 V CB 1.775 33.129 31.823 -0.782 0.000 0.985 172 V HN 0.052 nan 8.190 nan 0.000 0.454 173 S N 2.926 118.394 115.700 -0.386 0.000 2.520 173 S HA 0.331 4.801 4.470 -0.000 0.000 0.219 173 S C -0.230 174.348 174.600 -0.036 0.000 1.028 173 S CA 0.061 58.170 58.200 -0.151 0.000 0.921 173 S CB 0.223 63.401 63.200 -0.036 0.000 0.844 173 S HN 0.645 nan 8.310 nan 0.000 0.495 174 F N 1.098 120.837 119.950 -0.352 0.000 2.588 174 F HA 0.673 5.200 4.527 -0.000 0.000 0.318 174 F C -0.395 175.258 175.800 -0.246 0.000 1.155 174 F CA -0.715 57.208 58.000 -0.129 0.000 0.967 174 F CB 0.859 39.863 39.000 0.007 0.000 1.236 174 F HN -0.035 nan 8.300 nan 0.000 0.455 175 G N 3.213 111.550 108.800 -0.772 0.000 2.388 175 G HA2 0.728 4.688 3.960 -0.000 0.000 0.330 175 G HA3 0.728 4.688 3.960 -0.000 0.000 0.330 175 G C -1.694 172.494 174.900 -1.188 0.000 1.142 175 G CA -0.565 44.130 45.100 -0.676 0.000 0.908 175 G HN 1.030 nan 8.290 nan 0.000 0.473 176 A N 1.719 124.060 122.820 -0.798 0.000 2.365 176 A HA 0.746 5.066 4.320 -0.000 0.000 0.318 176 A C -0.590 176.762 177.584 -0.386 0.000 1.091 176 A CA -0.642 51.062 52.037 -0.554 0.000 0.763 176 A CB 1.202 20.126 19.000 -0.126 0.000 1.248 176 A HN 0.555 nan 8.150 nan 0.000 0.442 177 I N 2.802 123.120 120.570 -0.420 0.000 2.354 177 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 177 I C 1.060 177.092 176.117 -0.141 0.000 1.007 177 I CA -0.026 61.098 61.300 -0.294 0.000 1.167 177 I CB 0.618 38.363 38.000 -0.424 0.000 1.320 177 I HN 0.796 nan 8.210 nan 0.000 0.458 178 G N 3.880 112.622 108.800 -0.097 0.000 2.636 178 G HA2 0.303 4.263 3.960 -0.000 0.000 0.246 178 G HA3 0.303 4.263 3.960 -0.000 0.000 0.246 178 G C 1.044 175.913 174.900 -0.051 0.000 1.216 178 G CA 0.174 45.237 45.100 -0.061 0.000 0.854 178 G HN 0.767 nan 8.290 nan 0.000 0.572 179 A N 0.587 123.381 122.820 -0.043 0.000 1.986 179 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 179 A C 2.370 179.935 177.584 -0.032 0.000 1.171 179 A CA 1.639 53.663 52.037 -0.021 0.000 0.640 179 A CB -0.254 18.731 19.000 -0.024 0.000 0.811 179 A HN 0.668 nan 8.150 nan 0.000 0.451 180 R N -1.073 119.391 120.500 -0.060 0.000 2.275 180 R HA -0.000 4.340 4.340 -0.000 0.000 0.199 180 R C 1.148 177.381 176.300 -0.112 0.000 0.989 180 R CA 1.338 57.395 56.100 -0.071 0.000 1.016 180 R CB -0.021 30.238 30.300 -0.068 0.000 0.918 180 R HN 0.703 nan 8.270 nan 0.000 0.473 181 T N -4.997 109.464 114.554 -0.156 0.000 3.058 181 T HA 0.115 4.465 4.350 -0.000 0.000 0.278 181 T C 1.437 176.078 174.700 -0.098 0.000 0.974 181 T CA -0.223 61.718 62.100 -0.264 0.000 0.893 181 T CB 0.597 69.054 68.868 -0.685 0.000 1.138 181 T HN -0.171 nan 8.240 nan 0.000 0.529 182 T N 3.140 117.700 114.554 0.010 0.000 2.721 182 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 182 T C 1.534 176.248 174.700 0.023 0.000 1.038 182 T CA 1.851 64.025 62.100 0.124 0.000 1.145 182 T CB -0.292 68.654 68.868 0.131 0.000 0.858 182 T HN 0.610 nan 8.240 nan 0.000 0.459 183 E N 0.794 120.988 120.200 -0.010 0.000 2.502 183 E HA 0.102 4.452 4.350 -0.000 0.000 0.194 183 E C 0.729 177.326 176.600 -0.005 0.000 1.062 183 E CA -0.224 56.162 56.400 -0.024 0.000 0.867 183 E CB 0.211 29.899 29.700 -0.019 0.000 0.888 183 E HN 0.207 nan 8.360 nan 0.000 0.510 184 S N 0.897 116.610 115.700 0.022 0.000 2.499 184 S HA 0.010 4.480 4.470 -0.000 0.000 0.275 184 S C 0.949 175.598 174.600 0.083 0.000 1.257 184 S CA -0.494 57.751 58.200 0.075 0.000 1.050 184 S CB 1.446 64.738 63.200 0.153 0.000 0.937 184 S HN 0.004 nan 8.310 nan 0.000 0.490 185 Q N 4.370 124.191 119.800 0.034 0.000 2.096 185 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 185 Q C 1.806 177.773 176.000 -0.056 0.000 0.982 185 Q CA 2.231 58.025 55.803 -0.016 0.000 0.850 185 Q CB -0.566 28.169 28.738 -0.005 0.000 0.901 185 Q HN 0.893 nan 8.270 nan 0.000 0.422 186 L N -0.639 120.562 121.223 -0.037 0.000 2.042 186 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 186 L C 1.842 178.520 176.870 -0.320 0.000 1.076 186 L CA 1.834 56.575 54.840 -0.166 0.000 0.749 186 L CB -0.243 41.719 42.059 -0.162 0.000 0.893 186 L HN 0.391 nan 8.230 nan 0.000 0.432 187 H N -0.623 118.377 119.070 -0.117 0.000 2.389 187 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 187 H C 2.361 177.668 175.328 -0.035 0.000 1.081 187 H CA 1.597 57.589 56.048 -0.092 0.000 1.345 187 H CB -0.014 29.734 29.762 -0.022 0.000 1.393 187 H HN 0.280 nan 8.280 nan 0.000 0.520 188 R N 0.532 121.072 120.500 0.066 0.000 2.075 188 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 188 R C 2.094 178.312 176.300 -0.138 0.000 1.126 188 R CA 1.401 57.519 56.100 0.030 0.000 0.963 188 R CB -0.033 30.200 30.300 -0.112 0.000 0.858 188 R HN 0.493 nan 8.270 nan 0.000 0.435 189 E N 0.720 120.736 120.200 -0.305 0.000 2.051 189 E HA -0.221 4.128 4.350 -0.000 0.000 0.192 189 E C 1.970 178.411 176.600 -0.265 0.000 0.991 189 E CA 1.078 57.275 56.400 -0.338 0.000 0.799 189 E CB -0.187 29.376 29.700 -0.229 0.000 0.748 189 E HN 0.091 nan 8.360 nan 0.000 0.449 190 L N 1.319 122.189 121.223 -0.587 0.000 2.013 190 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 190 L C 2.244 178.953 176.870 -0.269 0.000 1.073 190 L CA 2.279 56.675 54.840 -0.741 0.000 0.753 190 L CB -0.705 40.950 42.059 -0.673 0.000 0.890 190 L HN 0.064 nan 8.230 nan 0.000 0.432 191 A N -1.155 121.576 122.820 -0.149 0.000 2.070 191 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 191 A C 2.366 179.940 177.584 -0.018 0.000 1.159 191 A CA 1.635 53.624 52.037 -0.080 0.000 0.656 191 A CB -0.984 18.030 19.000 0.024 0.000 0.800 191 A HN 0.702 nan 8.150 nan 0.000 0.453 192 S N -1.326 114.400 115.700 0.044 0.000 2.522 192 S HA 0.168 4.638 4.470 -0.000 0.000 0.227 192 S C 1.460 176.115 174.600 0.091 0.000 0.986 192 S CA 0.856 59.123 58.200 0.111 0.000 0.929 192 S CB -0.240 63.115 63.200 0.258 0.000 0.769 192 S HN 0.634 nan 8.310 nan 0.000 0.529 193 G N 0.591 109.442 108.800 0.086 0.000 3.324 193 G HA2 0.462 4.422 3.960 -0.000 0.000 0.251 193 G HA3 0.462 4.422 3.960 -0.000 0.000 0.251 193 G C 0.052 174.926 174.900 -0.043 0.000 1.072 193 G CA -0.450 44.704 45.100 0.089 0.000 0.787 193 G HN 0.405 nan 8.290 nan 0.000 0.537 194 L N 0.813 121.922 121.223 -0.191 0.000 2.325 194 L HA 0.285 4.625 4.340 -0.000 0.000 0.279 194 L C 0.946 177.489 176.870 -0.545 0.000 1.054 194 L CA -0.561 53.984 54.840 -0.492 0.000 0.804 194 L CB 1.966 43.573 42.059 -0.754 0.000 1.200 194 L HN -0.042 nan 8.230 nan 0.000 0.436 195 S N 2.107 117.424 115.700 -0.640 0.000 2.754 195 S HA 0.190 4.660 4.470 -0.000 0.000 0.223 195 S C -0.349 174.192 174.600 -0.099 0.000 0.951 195 S CA 0.015 58.078 58.200 -0.228 0.000 0.954 195 S CB -0.632 62.562 63.200 -0.011 0.000 0.780 195 S HN 0.448 nan 8.310 nan 0.000 0.509 196 F N -1.707 118.290 119.950 0.077 0.000 2.715 196 F HA 0.684 5.211 4.527 -0.000 0.000 0.318 196 F C -3.433 172.439 175.800 0.120 0.000 1.141 196 F CA -3.572 54.481 58.000 0.089 0.000 0.950 196 F CB -0.262 38.769 39.000 0.051 0.000 1.374 196 F HN -0.357 nan 8.300 nan 0.000 0.477 197 P HA 0.243 nan 4.420 nan 0.000 0.266 197 P C -1.032 176.453 177.300 0.309 0.000 1.195 197 P CA -0.058 63.295 63.100 0.423 0.000 0.768 197 P CB 0.920 32.922 31.700 0.503 0.000 0.838 198 V N 3.231 123.206 119.914 0.101 0.000 2.531 198 V HA 0.641 4.760 4.120 -0.000 0.000 0.301 198 V C 0.564 176.295 176.094 -0.605 0.000 1.034 198 V CA -0.515 61.599 62.300 -0.311 0.000 0.865 198 V CB 2.001 33.611 31.823 -0.355 0.000 0.995 198 V HN 0.687 nan 8.190 nan 0.000 0.424 199 G N 3.239 111.508 108.800 -0.884 0.000 2.370 199 G HA2 0.644 4.604 3.960 -0.000 0.000 0.317 199 G HA3 0.644 4.604 3.960 -0.000 0.000 0.317 199 G C -1.175 173.353 174.900 -0.621 0.000 1.162 199 G CA -0.280 44.206 45.100 -1.023 0.000 0.922 199 G HN 0.403 nan 8.290 nan 0.000 0.454 200 F N 1.857 121.646 119.950 -0.269 0.000 2.404 200 F HA 0.369 4.895 4.527 -0.000 0.000 0.354 200 F C 1.029 176.792 175.800 -0.062 0.000 1.122 200 F CA -0.530 57.393 58.000 -0.127 0.000 1.080 200 F CB 1.814 40.760 39.000 -0.090 0.000 1.131 200 F HN 0.177 nan 8.300 nan 0.000 0.471 201 K N 3.732 124.197 120.400 0.110 0.000 2.237 201 K HA 0.112 4.431 4.320 -0.000 0.000 0.270 201 K C 0.426 177.085 176.600 0.098 0.000 1.015 201 K CA -0.582 55.762 56.287 0.094 0.000 0.949 201 K CB 0.540 33.068 32.500 0.047 0.000 0.976 201 K HN 0.726 nan 8.250 nan 0.000 0.472 202 N N 0.360 119.112 118.700 0.086 0.000 2.307 202 N HA -0.036 4.703 4.740 -0.000 0.000 0.230 202 N C 0.208 175.745 175.510 0.045 0.000 1.297 202 N CA -0.372 52.717 53.050 0.065 0.000 0.884 202 N CB 0.345 38.871 38.487 0.065 0.000 1.115 202 N HN 0.519 nan 8.380 nan 0.000 0.436 203 G N -1.038 107.781 108.800 0.031 0.000 2.569 203 G HA2 0.151 4.111 3.960 -0.000 0.000 0.249 203 G HA3 0.151 4.111 3.960 -0.000 0.000 0.249 203 G C 1.265 176.176 174.900 0.019 0.000 1.216 203 G CA -0.065 45.046 45.100 0.018 0.000 0.845 203 G HN 0.726 nan 8.290 nan 0.000 0.568 204 T N -1.228 113.333 114.554 0.011 0.000 2.929 204 T HA -0.173 4.177 4.350 -0.000 0.000 0.271 204 T C 1.530 176.241 174.700 0.018 0.000 1.085 204 T CA 1.624 63.732 62.100 0.014 0.000 1.125 204 T CB -0.237 68.636 68.868 0.008 0.000 0.874 204 T HN 0.578 nan 8.240 nan 0.000 0.494 205 D N 1.355 121.764 120.400 0.015 0.000 2.378 205 D HA 0.200 4.840 4.640 -0.000 0.000 0.227 205 D C 1.657 177.968 176.300 0.018 0.000 1.012 205 D CA 0.634 54.642 54.000 0.015 0.000 0.905 205 D CB -0.981 39.825 40.800 0.010 0.000 0.895 205 D HN 0.611 nan 8.370 nan 0.000 0.532 206 G N -0.353 108.462 108.800 0.024 0.000 2.157 206 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 206 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 206 G C 0.455 175.371 174.900 0.027 0.000 0.979 206 G CA 0.563 45.681 45.100 0.029 0.000 0.650 206 G HN 0.832 nan 8.290 nan 0.000 0.529 207 T N -2.588 111.980 114.554 0.023 0.000 2.936 207 T HA 0.754 5.104 4.350 -0.000 0.000 0.282 207 T C 0.876 175.591 174.700 0.025 0.000 1.003 207 T CA -0.133 61.979 62.100 0.021 0.000 1.005 207 T CB 2.086 70.962 68.868 0.013 0.000 1.097 207 T HN 0.640 nan 8.240 nan 0.000 0.532 208 L N 0.647 121.883 121.223 0.023 0.000 2.717 208 L HA 0.387 4.727 4.340 -0.000 0.000 0.239 208 L C 1.810 178.690 176.870 0.017 0.000 1.086 208 L CA 0.690 55.548 54.840 0.030 0.000 0.897 208 L CB -0.672 41.408 42.059 0.036 0.000 1.214 208 L HN 0.674 nan 8.230 nan 0.000 0.508 209 N N 0.113 118.817 118.700 0.007 0.000 2.094 209 N HA -0.204 4.535 4.740 -0.000 0.000 0.191 209 N C 1.872 177.369 175.510 -0.022 0.000 1.023 209 N CA 2.071 55.118 53.050 -0.005 0.000 0.857 209 N CB -0.713 37.772 38.487 -0.004 0.000 1.013 209 N HN 0.396 nan 8.380 nan 0.000 0.426 210 V N -2.287 117.614 119.914 -0.022 0.000 2.626 210 V HA 0.071 4.191 4.120 -0.000 0.000 0.252 210 V C 2.023 178.067 176.094 -0.083 0.000 1.067 210 V CA 1.581 63.853 62.300 -0.045 0.000 1.081 210 V CB -1.088 30.718 31.823 -0.027 0.000 0.686 210 V HN 0.285 nan 8.190 nan 0.000 0.468 211 A N 0.392 123.185 122.820 -0.045 0.000 1.898 211 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 211 A C 2.326 179.852 177.584 -0.098 0.000 1.183 211 A CA 1.582 53.588 52.037 -0.052 0.000 0.622 211 A CB -0.660 18.379 19.000 0.065 0.000 0.824 211 A HN 0.384 nan 8.150 nan 0.000 0.444 212 V N 1.176 121.065 119.914 -0.042 0.000 2.287 212 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 212 V C 2.136 178.175 176.094 -0.091 0.000 1.053 212 V CA 2.443 64.721 62.300 -0.036 0.000 1.027 212 V CB -0.859 30.961 31.823 -0.005 0.000 0.646 212 V HN 0.516 nan 8.190 nan 0.000 0.447 213 D N 0.374 120.711 120.400 -0.106 0.000 2.144 213 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 213 D C 2.222 178.392 176.300 -0.216 0.000 0.984 213 D CA 1.568 55.496 54.000 -0.119 0.000 0.834 213 D CB -0.446 40.303 40.800 -0.085 0.000 0.955 213 D HN 0.453 nan 8.370 nan 0.000 0.465 214 A N 0.577 123.169 122.820 -0.380 0.000 1.883 214 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 214 A C 2.543 179.690 177.584 -0.728 0.000 1.186 214 A CA 1.440 53.022 52.037 -0.758 0.000 0.624 214 A CB -1.048 17.076 19.000 -1.460 0.000 0.822 214 A HN 0.354 nan 8.150 nan 0.000 0.444 215 C N -0.952 118.059 119.300 -0.482 0.000 2.413 215 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 215 C C 2.932 177.854 174.990 -0.113 0.000 1.236 215 C CA 1.224 60.154 59.018 -0.147 0.000 1.735 215 C CB -1.116 26.630 27.740 0.009 0.000 2.031 215 C HN 0.605 nan 8.230 nan 0.000 0.474 216 Q N 0.750 120.472 119.800 -0.131 0.000 2.084 216 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 216 Q C 2.498 178.387 176.000 -0.185 0.000 0.978 216 Q CA 1.998 57.720 55.803 -0.136 0.000 0.844 216 Q CB -0.926 27.762 28.738 -0.082 0.000 0.898 216 Q HN 0.727 nan 8.270 nan 0.000 0.426 217 A N 0.851 123.609 122.820 -0.104 0.000 1.902 217 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 217 A C 2.184 179.843 177.584 0.125 0.000 1.181 217 A CA 1.863 53.923 52.037 0.038 0.000 0.623 217 A CB -0.557 18.453 19.000 0.016 0.000 0.818 217 A HN 0.341 nan 8.150 nan 0.000 0.443 218 A N -0.799 122.029 122.820 0.013 0.000 2.169 218 A HA 0.453 4.773 4.320 -0.000 0.000 0.212 218 A C 2.135 179.758 177.584 0.065 0.000 1.153 218 A CA 1.192 53.287 52.037 0.096 0.000 0.756 218 A CB -0.560 18.535 19.000 0.158 0.000 0.813 218 A HN 0.908 nan 8.150 nan 0.000 0.471 219 A N -0.649 122.131 122.820 -0.066 0.000 2.119 219 A HA 0.101 4.421 4.320 -0.000 0.000 0.216 219 A C 0.986 178.486 177.584 -0.139 0.000 1.152 219 A CA 0.294 52.257 52.037 -0.124 0.000 0.708 219 A CB -0.406 18.486 19.000 -0.179 0.000 0.805 219 A HN 0.557 nan 8.150 nan 0.000 0.460 220 H N -0.474 118.633 119.070 0.062 0.000 2.499 220 H HA 0.381 4.937 4.556 -0.000 0.000 0.352 220 H C 0.292 175.592 175.328 -0.047 0.000 1.237 220 H CA -0.608 55.418 56.048 -0.037 0.000 1.343 220 H CB 0.670 30.338 29.762 -0.157 0.000 1.578 220 H HN 0.171 nan 8.280 nan 0.000 0.577 221 S N 0.822 116.544 115.700 0.037 0.000 2.564 221 S HA 0.150 4.620 4.470 -0.000 0.000 0.278 221 S C -0.459 174.027 174.600 -0.189 0.000 1.333 221 S CA -0.165 58.035 58.200 -0.001 0.000 1.048 221 S CB -0.081 63.124 63.200 0.009 0.000 0.900 221 S HN 0.526 nan 8.310 nan 0.000 0.505 222 H N 1.580 120.760 119.070 0.184 0.000 2.960 222 H HA 0.362 4.918 4.556 -0.000 0.000 0.338 222 H C -1.335 174.166 175.328 0.288 0.000 1.261 222 H CA -0.632 55.560 56.048 0.240 0.000 1.136 222 H CB 1.255 31.149 29.762 0.220 0.000 1.875 222 H HN 0.646 nan 8.280 nan 0.000 0.550 223 H N 0.802 119.999 119.070 0.213 0.000 2.646 223 H HA 0.277 4.833 4.556 -0.000 0.000 0.328 223 H C -0.695 174.720 175.328 0.144 0.000 0.998 223 H CA -0.558 55.534 56.048 0.073 0.000 1.225 223 H CB 0.360 30.140 29.762 0.029 0.000 1.457 223 H HN 0.347 nan 8.280 nan 0.000 0.505 224 F N 0.001 120.003 119.950 0.087 0.000 2.618 224 F HA 0.629 5.156 4.527 -0.000 0.000 0.332 224 F C -0.567 175.244 175.800 0.019 0.000 1.061 224 F CA -1.481 56.543 58.000 0.040 0.000 0.974 224 F CB 1.210 40.205 39.000 -0.008 0.000 1.310 224 F HN 0.071 nan 8.300 nan 0.000 0.491 225 M N 2.636 122.387 119.600 0.252 0.000 2.151 225 M HA 0.369 4.848 4.480 -0.000 0.000 0.349 225 M C 0.115 176.544 176.300 0.215 0.000 1.284 225 M CA -0.148 55.227 55.300 0.125 0.000 1.173 225 M CB -0.162 32.504 32.600 0.109 0.000 1.469 225 M HN 0.998 nan 8.290 nan 0.000 0.439 226 G N 2.419 111.254 108.800 0.058 0.000 2.795 226 G HA2 0.793 4.753 3.960 -0.000 0.000 0.267 226 G HA3 0.793 4.753 3.960 -0.000 0.000 0.267 226 G C -0.714 174.213 174.900 0.045 0.000 1.362 226 G CA -0.549 44.630 45.100 0.131 0.000 1.048 226 G HN 0.576 nan 8.290 nan 0.000 0.547 227 V N -2.248 117.691 119.914 0.042 0.000 2.823 227 V HA 0.815 4.935 4.120 -0.000 0.000 0.312 227 V C 0.389 176.467 176.094 -0.026 0.000 1.072 227 V CA -0.216 62.087 62.300 0.006 0.000 0.937 227 V CB 1.060 32.892 31.823 0.015 0.000 1.013 227 V HN 1.136 nan 8.190 nan 0.000 0.430 228 T N 0.262 114.801 114.554 -0.025 0.000 2.788 228 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 228 T C 0.921 175.590 174.700 -0.051 0.000 1.007 228 T CA -0.422 61.665 62.100 -0.020 0.000 1.005 228 T CB 0.672 69.554 68.868 0.023 0.000 1.012 228 T HN 0.730 nan 8.240 nan 0.000 0.530 229 K N 0.120 120.486 120.400 -0.057 0.000 2.281 229 K HA -0.123 4.196 4.320 -0.000 0.000 0.203 229 K C 1.592 178.039 176.600 -0.255 0.000 1.046 229 K CA 1.355 57.544 56.287 -0.162 0.000 0.938 229 K CB -0.307 32.108 32.500 -0.141 0.000 0.737 229 K HN 0.686 nan 8.250 nan 0.000 0.458 230 H N -0.918 118.109 119.070 -0.072 0.000 2.529 230 H HA 0.112 4.668 4.556 -0.000 0.000 0.277 230 H C 0.854 176.159 175.328 -0.038 0.000 1.004 230 H CA 0.675 56.693 56.048 -0.050 0.000 1.167 230 H CB 0.735 30.476 29.762 -0.034 0.000 1.445 230 H HN 0.396 nan 8.280 nan 0.000 0.554 231 G N 1.254 110.070 108.800 0.026 0.000 2.134 231 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.209 231 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.209 231 G C 0.197 175.116 174.900 0.031 0.000 0.993 231 G CA 0.254 45.365 45.100 0.019 0.000 0.669 231 G HN 0.247 nan 8.290 nan 0.000 0.519 232 V N -1.032 118.900 119.914 0.029 0.000 2.427 232 V HA 0.872 4.991 4.120 -0.000 0.000 0.286 232 V C 0.951 177.050 176.094 0.007 0.000 1.034 232 V CA -0.927 61.382 62.300 0.015 0.000 0.893 232 V CB 1.147 32.974 31.823 0.006 0.000 0.982 232 V HN 1.610 nan 8.190 nan 0.000 0.452 233 A N 3.447 126.272 122.820 0.009 0.000 2.567 233 A HA 0.601 4.921 4.320 -0.000 0.000 0.240 233 A C 0.564 178.141 177.584 -0.012 0.000 1.053 233 A CA 0.780 52.821 52.037 0.007 0.000 0.755 233 A CB -0.343 18.666 19.000 0.015 0.000 0.978 233 A HN 2.099 nan 8.150 nan 0.000 0.507 234 A N 2.355 125.158 122.820 -0.029 0.000 2.594 234 A HA 0.694 5.014 4.320 -0.000 0.000 0.291 234 A C -0.609 176.923 177.584 -0.087 0.000 1.105 234 A CA -0.663 51.342 52.037 -0.054 0.000 0.694 234 A CB 0.760 19.719 19.000 -0.067 0.000 1.291 234 A HN 0.771 nan 8.150 nan 0.000 0.410 235 I N 1.588 122.103 120.570 -0.093 0.000 2.352 235 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 235 I C -0.122 175.843 176.117 -0.253 0.000 1.036 235 I CA 0.233 61.460 61.300 -0.122 0.000 1.336 235 I CB 1.452 39.431 38.000 -0.035 0.000 1.407 235 I HN 0.525 nan 8.210 nan 0.000 0.497 236 T N 4.512 118.803 114.554 -0.439 0.000 2.770 236 T HA 0.331 4.681 4.350 -0.000 0.000 0.283 236 T C -0.042 174.272 174.700 -0.642 0.000 0.988 236 T CA -0.508 61.226 62.100 -0.610 0.000 0.957 236 T CB 1.040 69.319 68.868 -0.981 0.000 0.930 236 T HN 0.471 nan 8.240 nan 0.000 0.443 237 T N 3.363 117.612 114.554 -0.508 0.000 2.771 237 T HA 0.586 4.936 4.350 -0.000 0.000 0.281 237 T C 0.646 175.191 174.700 -0.258 0.000 0.982 237 T CA -0.815 60.959 62.100 -0.544 0.000 0.978 237 T CB 1.071 69.603 68.868 -0.560 0.000 0.930 237 T HN 0.725 nan 8.240 nan 0.000 0.447 238 T N -0.356 114.132 114.554 -0.110 0.000 2.949 238 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 238 T C 0.878 175.595 174.700 0.029 0.000 1.034 238 T CA -0.961 61.147 62.100 0.013 0.000 1.018 238 T CB 1.951 70.909 68.868 0.151 0.000 1.135 238 T HN 0.522 nan 8.240 nan 0.000 0.532 239 K N -0.111 120.310 120.400 0.035 0.000 2.354 239 K HA 0.373 4.693 4.320 -0.000 0.000 0.194 239 K C 0.854 177.480 176.600 0.044 0.000 1.045 239 K CA 0.538 56.840 56.287 0.025 0.000 1.026 239 K CB -0.474 32.031 32.500 0.008 0.000 0.866 239 K HN 1.216 nan 8.250 nan 0.000 0.530 240 G N 1.280 110.124 108.800 0.073 0.000 2.716 240 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 240 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 240 G C -1.398 173.515 174.900 0.022 0.000 1.337 240 G CA -0.472 44.673 45.100 0.075 0.000 0.829 240 G HN 0.341 nan 8.290 nan 0.000 0.599 241 N N 0.689 119.398 118.700 0.016 0.000 2.491 241 N HA 0.330 5.070 4.740 -0.000 0.000 0.274 241 N C 1.119 176.609 175.510 -0.034 0.000 1.023 241 N CA -0.153 52.889 53.050 -0.014 0.000 0.902 241 N CB 1.442 39.945 38.487 0.027 0.000 1.267 241 N HN 0.753 nan 8.380 nan 0.000 0.503 242 E N 2.540 122.643 120.200 -0.162 0.000 2.479 242 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 242 E C -0.444 176.135 176.600 -0.034 0.000 1.049 242 E CA 0.595 56.901 56.400 -0.156 0.000 0.870 242 E CB -0.270 29.289 29.700 -0.235 0.000 0.944 242 E HN 0.659 nan 8.360 nan 0.000 0.492 243 H N 0.005 119.154 119.070 0.133 0.000 2.539 243 H HA 0.312 4.868 4.556 -0.000 0.000 0.293 243 H C -0.568 174.937 175.328 0.295 0.000 1.156 243 H CA -0.838 55.326 56.048 0.195 0.000 1.012 243 H CB 0.137 30.000 29.762 0.169 0.000 1.600 243 H HN 0.074 nan 8.280 nan 0.000 0.538 244 C N 1.757 121.273 119.300 0.360 0.000 2.358 244 C HA 0.541 5.001 4.460 -0.000 0.000 0.342 244 C C -0.242 175.013 174.990 0.442 0.000 1.234 244 C CA -0.662 58.560 59.018 0.340 0.000 1.969 244 C CB -0.724 27.200 27.740 0.306 0.000 2.346 244 C HN 0.592 nan 8.230 nan 0.000 0.525 245 F N 0.364 120.465 119.950 0.252 0.000 2.685 245 F HA 0.805 5.332 4.527 -0.000 0.000 0.315 245 F C -1.090 174.855 175.800 0.241 0.000 1.126 245 F CA -1.318 56.809 58.000 0.212 0.000 0.950 245 F CB 0.421 39.528 39.000 0.177 0.000 1.360 245 F HN 0.218 nan 8.300 nan 0.000 0.469 246 V N 2.641 122.780 119.914 0.375 0.000 2.481 246 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 246 V C -0.062 176.208 176.094 0.292 0.000 1.042 246 V CA -0.618 61.831 62.300 0.249 0.000 0.928 246 V CB 1.513 33.450 31.823 0.191 0.000 0.986 246 V HN 0.631 nan 8.190 nan 0.000 0.462 247 I N 5.430 126.122 120.570 0.203 0.000 2.378 247 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 247 I C -0.514 175.705 176.117 0.170 0.000 0.992 247 I CA -0.433 60.995 61.300 0.214 0.000 1.154 247 I CB 1.581 39.690 38.000 0.182 0.000 1.315 247 I HN 0.346 nan 8.210 nan 0.000 0.448 248 L N 7.176 128.504 121.223 0.175 0.000 2.265 248 L HA 0.406 4.746 4.340 -0.000 0.000 0.288 248 L C 0.431 177.403 176.870 0.169 0.000 1.058 248 L CA -0.377 54.556 54.840 0.155 0.000 0.809 248 L CB 0.594 42.745 42.059 0.154 0.000 1.179 248 L HN 0.681 nan 8.230 nan 0.000 0.429 249 R N 1.373 121.962 120.500 0.148 0.000 2.592 249 R HA 0.481 4.821 4.340 -0.000 0.000 0.439 249 R C 0.293 176.684 176.300 0.150 0.000 0.995 249 R CA -0.121 56.076 56.100 0.162 0.000 1.141 249 R CB 0.025 30.405 30.300 0.133 0.000 1.495 249 R HN 0.647 nan 8.270 nan 0.000 0.579 250 G N -0.576 108.304 108.800 0.133 0.000 2.645 250 G HA2 0.235 4.194 3.960 -0.000 0.000 0.239 250 G HA3 0.235 4.194 3.960 -0.000 0.000 0.239 250 G C 0.220 175.168 174.900 0.079 0.000 1.331 250 G CA -0.034 45.131 45.100 0.108 0.000 0.890 250 G HN 1.250 nan 8.290 nan 0.000 0.572 251 G N -3.787 105.053 108.800 0.066 0.000 2.350 251 G HA2 0.638 4.598 3.960 -0.000 0.000 0.282 251 G HA3 0.638 4.598 3.960 -0.000 0.000 0.282 251 G C 0.678 175.599 174.900 0.036 0.000 1.314 251 G CA 1.225 46.354 45.100 0.048 0.000 0.915 251 G HN 2.018 nan 8.290 nan 0.000 0.499 252 K N -1.060 119.356 120.400 0.027 0.000 2.167 252 K HA 0.475 4.795 4.320 -0.000 0.000 0.203 252 K C 2.405 179.014 176.600 0.015 0.000 1.052 252 K CA 2.391 58.690 56.287 0.020 0.000 0.956 252 K CB -0.989 31.521 32.500 0.016 0.000 0.735 252 K HN 1.798 nan 8.250 nan 0.000 0.451 253 K N 0.640 121.048 120.400 0.013 0.000 2.589 253 K HA 0.417 4.736 4.320 -0.000 0.000 0.192 253 K C 1.177 177.778 176.600 0.001 0.000 1.029 253 K CA 0.798 57.088 56.287 0.006 0.000 1.031 253 K CB -1.508 30.996 32.500 0.005 0.000 0.821 253 K HN 1.695 nan 8.250 nan 0.000 0.502 254 G N -0.903 107.901 108.800 0.007 0.000 2.497 254 G HA2 0.081 4.041 3.960 -0.000 0.000 0.686 254 G HA3 0.081 4.041 3.960 -0.000 0.000 0.686 254 G C -0.020 174.884 174.900 0.007 0.000 1.288 254 G CA -0.202 44.898 45.100 -0.001 0.000 0.899 254 G HN 1.105 nan 8.290 nan 0.000 0.608 255 T N -1.389 113.163 114.554 -0.002 0.000 2.932 255 T HA 0.437 4.786 4.350 -0.000 0.000 0.312 255 T C 0.807 175.453 174.700 -0.089 0.000 1.071 255 T CA 0.599 62.706 62.100 0.011 0.000 1.128 255 T CB 1.087 69.977 68.868 0.036 0.000 0.984 255 T HN 1.810 nan 8.240 nan 0.000 0.549 256 N N 0.424 119.110 118.700 -0.024 0.000 2.517 256 N HA 0.089 4.829 4.740 -0.000 0.000 0.285 256 N C -0.030 175.484 175.510 0.007 0.000 1.528 256 N CA -0.854 52.171 53.050 -0.042 0.000 0.892 256 N CB -0.479 38.022 38.487 0.024 0.000 1.356 256 N HN 0.863 nan 8.380 nan 0.000 0.495 257 Y N -1.084 119.236 120.300 0.032 0.000 2.478 257 Y HA 0.353 4.903 4.550 -0.000 0.000 0.261 257 Y C 0.059 175.965 175.900 0.010 0.000 1.127 257 Y CA -1.091 57.028 58.100 0.031 0.000 1.288 257 Y CB -0.199 38.269 38.460 0.014 0.000 1.084 257 Y HN 0.018 nan 8.280 nan 0.000 0.530 258 D N 1.044 121.276 120.400 -0.280 0.000 2.383 258 D HA 0.188 4.828 4.640 -0.000 0.000 0.248 258 D C 1.255 177.526 176.300 -0.048 0.000 1.170 258 D CA 0.302 54.218 54.000 -0.140 0.000 0.977 258 D CB 1.866 42.517 40.800 -0.249 0.000 1.120 258 D HN 0.227 nan 8.370 nan 0.000 0.481 259 A N 0.925 123.734 122.820 -0.018 0.000 1.933 259 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 259 A C 2.150 179.728 177.584 -0.009 0.000 1.175 259 A CA 1.798 53.835 52.037 0.000 0.000 0.628 259 A CB -0.653 18.350 19.000 0.004 0.000 0.814 259 A HN 0.719 nan 8.150 nan 0.000 0.444 260 K N -0.317 120.066 120.400 -0.027 0.000 2.057 260 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 260 K C 2.240 178.827 176.600 -0.022 0.000 1.050 260 K CA 1.403 57.676 56.287 -0.024 0.000 0.935 260 K CB -0.153 32.328 32.500 -0.033 0.000 0.715 260 K HN 0.431 nan 8.250 nan 0.000 0.439 261 S N 0.401 116.078 115.700 -0.038 0.000 2.368 261 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 261 S C 1.922 176.525 174.600 0.005 0.000 1.030 261 S CA 1.324 59.508 58.200 -0.026 0.000 0.999 261 S CB -0.177 62.990 63.200 -0.056 0.000 0.844 261 S HN 0.113 nan 8.310 nan 0.000 0.459 262 V N 2.001 121.923 119.914 0.014 0.000 2.295 262 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 262 V C 2.649 178.762 176.094 0.031 0.000 1.049 262 V CA 1.751 64.073 62.300 0.037 0.000 1.024 262 V CB -1.241 30.610 31.823 0.047 0.000 0.648 262 V HN 0.542 nan 8.190 nan 0.000 0.447 263 A N -0.390 122.442 122.820 0.019 0.000 1.883 263 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 263 A C 2.141 179.735 177.584 0.017 0.000 1.186 263 A CA 2.146 54.193 52.037 0.017 0.000 0.624 263 A CB -0.640 18.366 19.000 0.010 0.000 0.822 263 A HN 0.623 nan 8.150 nan 0.000 0.444 264 E N -0.536 119.672 120.200 0.013 0.000 2.130 264 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 264 E C 2.201 178.814 176.600 0.022 0.000 0.998 264 E CA 1.148 57.556 56.400 0.013 0.000 0.806 264 E CB -0.260 29.444 29.700 0.007 0.000 0.738 264 E HN 0.661 nan 8.360 nan 0.000 0.459 265 A N 1.081 123.919 122.820 0.030 0.000 1.898 265 A HA -0.119 4.200 4.320 -0.000 0.000 0.214 265 A C 1.870 179.480 177.584 0.044 0.000 1.183 265 A CA 1.010 53.072 52.037 0.042 0.000 0.622 265 A CB -0.113 18.921 19.000 0.057 0.000 0.824 265 A HN 0.013 nan 8.150 nan 0.000 0.444 266 K N 0.108 120.533 120.400 0.042 0.000 2.152 266 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 266 K C 1.981 178.601 176.600 0.033 0.000 1.048 266 K CA 1.188 57.499 56.287 0.040 0.000 0.933 266 K CB -0.259 32.262 32.500 0.035 0.000 0.721 266 K HN 0.437 nan 8.250 nan 0.000 0.447 267 A N 0.916 123.752 122.820 0.027 0.000 2.072 267 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 267 A C 1.776 179.373 177.584 0.022 0.000 1.156 267 A CA 0.753 52.803 52.037 0.022 0.000 0.701 267 A CB -0.070 18.941 19.000 0.017 0.000 0.816 267 A HN 0.246 nan 8.150 nan 0.000 0.458 268 Q N -0.444 119.371 119.800 0.025 0.000 2.331 268 Q HA 0.161 4.501 4.340 -0.000 0.000 0.203 268 Q C -0.118 175.898 176.000 0.028 0.000 0.944 268 Q CA 0.115 55.932 55.803 0.024 0.000 0.892 268 Q CB -0.067 28.686 28.738 0.025 0.000 0.983 268 Q HN 0.552 nan 8.270 nan 0.000 0.482 269 L N 4.084 125.328 121.223 0.035 0.000 2.410 269 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 269 L C -1.882 175.008 176.870 0.033 0.000 1.152 269 L CA -1.640 53.224 54.840 0.040 0.000 0.855 269 L CB 0.017 42.108 42.059 0.052 0.000 1.129 269 L HN -0.033 nan 8.230 nan 0.000 0.463 270 P HA 0.129 nan 4.420 nan 0.000 0.275 270 P C -0.470 176.849 177.300 0.031 0.000 1.228 270 P CA -0.507 62.609 63.100 0.027 0.000 0.786 270 P CB 0.921 32.634 31.700 0.023 0.000 0.927 271 A N 2.145 124.982 122.820 0.027 0.000 2.609 271 A HA 0.316 4.636 4.320 -0.000 0.000 0.232 271 A C 1.529 179.132 177.584 0.031 0.000 1.041 271 A CA 0.988 53.042 52.037 0.028 0.000 0.753 271 A CB -1.450 17.564 19.000 0.024 0.000 0.966 271 A HN 1.017 nan 8.150 nan 0.000 0.510 272 G N 1.397 110.217 108.800 0.034 0.000 2.159 272 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.256 272 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.256 272 G C 0.509 175.439 174.900 0.050 0.000 0.977 272 G CA 0.465 45.588 45.100 0.039 0.000 0.652 272 G HN 1.216 nan 8.290 nan 0.000 0.531 273 S N 0.800 116.533 115.700 0.054 0.000 2.585 273 S HA 0.437 4.907 4.470 -0.000 0.000 0.273 273 S C 0.796 175.447 174.600 0.085 0.000 1.339 273 S CA -0.498 57.746 58.200 0.074 0.000 1.028 273 S CB 0.550 63.794 63.200 0.075 0.000 0.906 273 S HN 0.463 nan 8.310 nan 0.000 0.528 274 N N 0.771 119.543 118.700 0.119 0.000 2.381 274 N HA 0.306 5.045 4.740 -0.000 0.000 0.254 274 N C 0.578 176.146 175.510 0.097 0.000 1.264 274 N CA -0.128 52.992 53.050 0.117 0.000 0.942 274 N CB 0.216 38.816 38.487 0.188 0.000 1.190 274 N HN 0.671 nan 8.380 nan 0.000 0.495 275 G N -0.401 108.416 108.800 0.028 0.000 2.616 275 G HA2 0.423 4.383 3.960 -0.000 0.000 0.268 275 G HA3 0.423 4.383 3.960 -0.000 0.000 0.268 275 G C -0.083 174.853 174.900 0.059 0.000 1.213 275 G CA -0.503 44.607 45.100 0.017 0.000 0.926 275 G HN 0.363 nan 8.290 nan 0.000 0.523 276 L N 0.133 121.405 121.223 0.082 0.000 2.357 276 L HA 0.472 4.812 4.340 -0.000 0.000 0.273 276 L C 0.359 177.311 176.870 0.136 0.000 1.080 276 L CA -0.409 54.523 54.840 0.153 0.000 0.803 276 L CB 1.653 43.787 42.059 0.126 0.000 1.174 276 L HN 0.449 nan 8.230 nan 0.000 0.443 277 M N 3.799 123.547 119.600 0.247 0.000 2.364 277 M HA 0.540 5.020 4.480 -0.000 0.000 0.334 277 M C -1.276 175.142 176.300 0.196 0.000 1.107 277 M CA -0.353 55.073 55.300 0.211 0.000 0.988 277 M CB 1.648 34.475 32.600 0.378 0.000 1.673 277 M HN 0.429 nan 8.290 nan 0.000 0.441 278 I N 3.439 124.106 120.570 0.162 0.000 2.378 278 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 278 I C -0.807 175.423 176.117 0.188 0.000 0.992 278 I CA -0.771 60.654 61.300 0.209 0.000 1.154 278 I CB 1.618 39.778 38.000 0.267 0.000 1.315 278 I HN 0.601 nan 8.210 nan 0.000 0.448 279 D N 5.399 125.922 120.400 0.205 0.000 2.295 279 D HA 0.118 4.758 4.640 -0.000 0.000 0.248 279 D C 0.415 176.884 176.300 0.281 0.000 1.154 279 D CA -0.012 54.099 54.000 0.184 0.000 0.857 279 D CB 0.811 41.737 40.800 0.210 0.000 1.117 279 D HN 0.267 nan 8.370 nan 0.000 0.468 280 Y N 1.486 121.786 120.300 -0.001 0.000 2.516 280 Y HA 0.056 4.606 4.550 -0.000 0.000 0.291 280 Y C 1.655 177.517 175.900 -0.064 0.000 1.131 280 Y CA 0.010 58.064 58.100 -0.076 0.000 1.281 280 Y CB -0.410 37.989 38.460 -0.101 0.000 1.013 280 Y HN 0.231 nan 8.280 nan 0.000 0.554 281 S N -2.220 113.546 115.700 0.110 0.000 2.718 281 S HA 0.467 4.937 4.470 -0.000 0.000 0.292 281 S C -0.377 174.232 174.600 0.015 0.000 1.125 281 S CA 0.105 58.274 58.200 -0.053 0.000 1.013 281 S CB 0.448 63.479 63.200 -0.282 0.000 1.192 281 S HN 0.543 nan 8.310 nan 0.000 0.535 282 H N -0.817 118.291 119.070 0.063 0.000 1.452 282 H HA -0.223 4.333 4.556 -0.000 0.000 0.090 282 H C 1.437 176.807 175.328 0.070 0.000 0.642 282 H CA 1.009 57.092 56.048 0.060 0.000 1.901 282 H CB -1.568 28.226 29.762 0.053 0.000 2.257 282 H HN 0.736 nan 8.280 nan 0.000 0.961 283 G N -0.253 108.683 108.800 0.226 0.000 2.475 283 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.220 283 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.220 283 G C 1.263 176.252 174.900 0.148 0.000 1.125 283 G CA 1.538 46.727 45.100 0.149 0.000 0.755 283 G HN 0.538 nan 8.290 nan 0.000 0.565 284 N N -0.048 118.760 118.700 0.180 0.000 2.463 284 N HA -0.017 4.723 4.740 -0.000 0.000 0.181 284 N C 2.100 177.697 175.510 0.146 0.000 1.078 284 N CA 1.046 54.231 53.050 0.224 0.000 0.902 284 N CB 0.301 38.948 38.487 0.267 0.000 0.970 284 N HN 0.429 nan 8.380 nan 0.000 0.451 285 S N -0.392 115.358 115.700 0.084 0.000 2.539 285 S HA 0.116 4.586 4.470 -0.000 0.000 0.221 285 S C 0.268 174.890 174.600 0.036 0.000 0.987 285 S CA -0.374 57.843 58.200 0.029 0.000 0.929 285 S CB 0.044 63.246 63.200 0.003 0.000 0.832 285 S HN 0.051 nan 8.310 nan 0.000 0.492 286 N N 1.930 120.668 118.700 0.063 0.000 2.727 286 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 286 N C 0.479 176.009 175.510 0.033 0.000 1.040 286 N CA 1.376 54.456 53.050 0.050 0.000 0.712 286 N CB -2.017 36.495 38.487 0.041 0.000 0.912 286 N HN 1.098 nan 8.380 nan 0.000 0.545 287 K N -1.392 119.035 120.400 0.044 0.000 3.209 287 K HA -0.243 4.077 4.320 -0.000 0.000 0.289 287 K C -0.209 176.408 176.600 0.028 0.000 1.191 287 K CA 1.943 58.256 56.287 0.043 0.000 0.851 287 K CB -1.835 30.688 32.500 0.038 0.000 1.242 287 K HN 0.682 nan 8.250 nan 0.000 0.480 288 D N -0.834 119.568 120.400 0.003 0.000 2.479 288 D HA 0.457 5.097 4.640 -0.000 0.000 0.246 288 D C 0.968 177.212 176.300 -0.094 0.000 1.336 288 D CA -0.267 53.688 54.000 -0.076 0.000 0.967 288 D CB 0.344 41.059 40.800 -0.141 0.000 1.275 288 D HN 0.370 nan 8.370 nan 0.000 0.577 289 F N 3.097 123.029 119.950 -0.029 0.000 2.307 289 F HA -0.040 4.487 4.527 -0.000 0.000 0.301 289 F C 1.691 177.471 175.800 -0.034 0.000 1.076 289 F CA 0.659 58.636 58.000 -0.038 0.000 1.383 289 F CB -0.403 38.574 39.000 -0.037 0.000 1.055 289 F HN 0.156 nan 8.300 nan 0.000 0.526 290 R N 0.662 120.766 120.500 -0.661 0.000 2.237 290 R HA -0.056 4.284 4.340 -0.000 0.000 0.219 290 R C 1.177 177.358 176.300 -0.199 0.000 1.080 290 R CA 0.862 56.708 56.100 -0.424 0.000 0.995 290 R CB -0.593 29.401 30.300 -0.511 0.000 0.875 290 R HN 0.351 nan 8.270 nan 0.000 0.462 291 N N 0.940 119.543 118.700 -0.162 0.000 2.521 291 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 291 N C 1.210 176.634 175.510 -0.143 0.000 1.146 291 N CA 0.714 53.689 53.050 -0.126 0.000 0.893 291 N CB 0.187 38.620 38.487 -0.090 0.000 0.975 291 N HN 0.426 nan 8.380 nan 0.000 0.451 292 Q N 0.115 119.867 119.800 -0.079 0.000 2.083 292 Q HA -0.021 4.319 4.340 -0.000 0.000 0.198 292 Q C -0.707 175.225 176.000 -0.113 0.000 0.969 292 Q CA 1.042 56.818 55.803 -0.046 0.000 0.838 292 Q CB -0.690 28.105 28.738 0.095 0.000 0.900 292 Q HN 0.331 nan 8.270 nan 0.000 0.436 293 P HA -0.110 nan 4.420 nan 0.000 0.221 293 P C 0.653 177.847 177.300 -0.176 0.000 1.150 293 P CA 1.094 64.133 63.100 -0.100 0.000 0.800 293 P CB 0.147 31.813 31.700 -0.057 0.000 0.787 294 K N -0.432 119.855 120.400 -0.188 0.000 2.026 294 K HA -0.077 4.243 4.320 -0.000 0.000 0.208 294 K C 1.924 178.323 176.600 -0.334 0.000 1.048 294 K CA 1.140 57.309 56.287 -0.195 0.000 0.929 294 K CB -1.425 30.992 32.500 -0.139 0.000 0.713 294 K HN -0.054 nan 8.250 nan 0.000 0.439 295 V N 1.487 121.056 119.914 -0.575 0.000 2.407 295 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 295 V C 2.038 177.561 176.094 -0.951 0.000 1.055 295 V CA 1.969 63.643 62.300 -1.044 0.000 1.049 295 V CB -0.721 30.369 31.823 -1.223 0.000 0.662 295 V HN 0.393 nan 8.190 nan 0.000 0.455 296 N N 0.662 118.815 118.700 -0.911 0.000 2.069 296 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 296 N C 1.517 176.858 175.510 -0.281 0.000 1.031 296 N CA 1.915 54.590 53.050 -0.624 0.000 0.852 296 N CB -0.263 38.113 38.487 -0.185 0.000 1.018 296 N HN 0.470 nan 8.380 nan 0.000 0.423 297 D N -0.507 119.764 120.400 -0.216 0.000 2.097 297 D HA -0.099 4.541 4.640 -0.000 0.000 0.195 297 D C 2.035 178.288 176.300 -0.079 0.000 0.989 297 D CA 0.881 54.815 54.000 -0.110 0.000 0.827 297 D CB -0.478 40.270 40.800 -0.087 0.000 0.966 297 D HN 0.109 nan 8.370 nan 0.000 0.456 298 V N 0.835 120.697 119.914 -0.087 0.000 2.407 298 V HA -0.187 3.932 4.120 -0.000 0.000 0.248 298 V C 2.585 178.689 176.094 0.017 0.000 1.055 298 V CA 1.003 63.311 62.300 0.012 0.000 1.049 298 V CB -0.281 31.641 31.823 0.164 0.000 0.662 298 V HN 0.049 nan 8.190 nan 0.000 0.455 299 V N -1.521 118.357 119.914 -0.060 0.000 2.346 299 V HA -0.209 3.911 4.120 -0.000 0.000 0.244 299 V C 2.501 178.612 176.094 0.027 0.000 1.037 299 V CA 1.907 64.211 62.300 0.006 0.000 1.029 299 V CB -0.460 31.363 31.823 0.001 0.000 0.663 299 V HN 0.614 nan 8.190 nan 0.000 0.454 300 C N -0.215 119.088 119.300 0.004 0.000 2.401 300 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 300 C C 2.800 177.795 174.990 0.008 0.000 1.233 300 C CA 1.241 60.267 59.018 0.012 0.000 1.753 300 C CB -0.905 26.833 27.740 -0.004 0.000 2.029 300 C HN 0.616 nan 8.230 nan 0.000 0.478 301 E N 0.749 120.950 120.200 0.002 0.000 2.070 301 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 301 E C 2.115 178.723 176.600 0.013 0.000 1.004 301 E CA 1.766 58.169 56.400 0.005 0.000 0.805 301 E CB -0.367 29.337 29.700 0.006 0.000 0.744 301 E HN 0.705 nan 8.360 nan 0.000 0.451 302 Q N -0.163 119.651 119.800 0.023 0.000 2.046 302 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 302 Q C 2.520 178.534 176.000 0.025 0.000 0.975 302 Q CA 1.484 57.303 55.803 0.028 0.000 0.836 302 Q CB -0.096 28.667 28.738 0.041 0.000 0.896 302 Q HN 0.361 nan 8.270 nan 0.000 0.428 303 I N 0.452 121.039 120.570 0.028 0.000 2.226 303 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 303 I C 2.266 178.392 176.117 0.014 0.000 1.100 303 I CA 1.009 62.323 61.300 0.024 0.000 1.374 303 I CB -0.370 37.647 38.000 0.028 0.000 1.057 303 I HN 0.168 nan 8.210 nan 0.000 0.413 304 A N 0.263 123.090 122.820 0.011 0.000 2.067 304 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 304 A C 1.728 179.315 177.584 0.006 0.000 1.156 304 A CA 0.949 52.990 52.037 0.006 0.000 0.683 304 A CB -0.438 18.564 19.000 0.003 0.000 0.808 304 A HN 0.398 nan 8.150 nan 0.000 0.455 305 N N -0.285 118.420 118.700 0.008 0.000 2.421 305 N HA 0.132 4.872 4.740 -0.000 0.000 0.201 305 N C 1.008 176.523 175.510 0.008 0.000 1.198 305 N CA 0.916 53.970 53.050 0.007 0.000 0.838 305 N CB 0.422 38.914 38.487 0.008 0.000 1.011 305 N HN 0.630 nan 8.380 nan 0.000 0.463 306 G N 1.084 109.889 108.800 0.009 0.000 2.176 306 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 306 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 306 G C 0.067 174.974 174.900 0.012 0.000 0.986 306 G CA -0.181 44.925 45.100 0.009 0.000 0.643 306 G HN 0.377 nan 8.290 nan 0.000 0.522 307 E N 1.209 121.419 120.200 0.016 0.000 2.238 307 E HA 0.349 4.699 4.350 -0.000 0.000 0.264 307 E C 1.164 177.775 176.600 0.019 0.000 1.136 307 E CA 0.445 56.857 56.400 0.020 0.000 0.929 307 E CB -0.510 29.206 29.700 0.027 0.000 1.010 307 E HN 0.550 nan 8.360 nan 0.000 0.440 308 N N 3.185 121.894 118.700 0.016 0.000 2.373 308 N HA 0.049 4.789 4.740 -0.000 0.000 0.181 308 N C 0.858 176.376 175.510 0.014 0.000 1.082 308 N CA 0.434 53.491 53.050 0.012 0.000 0.885 308 N CB 0.404 38.896 38.487 0.010 0.000 0.977 308 N HN 0.475 nan 8.380 nan 0.000 0.462 309 A N 0.859 123.692 122.820 0.023 0.000 2.123 309 A HA 0.155 4.475 4.320 -0.000 0.000 0.214 309 A C 0.861 178.464 177.584 0.032 0.000 1.152 309 A CA 0.088 52.142 52.037 0.028 0.000 0.728 309 A CB -0.147 18.875 19.000 0.037 0.000 0.814 309 A HN 0.138 nan 8.150 nan 0.000 0.464 310 I N 1.815 122.406 120.570 0.034 0.000 2.329 310 I HA 0.055 4.225 4.170 -0.000 0.000 0.295 310 I C 1.324 177.447 176.117 0.010 0.000 1.109 310 I CA 0.304 61.628 61.300 0.040 0.000 1.297 310 I CB 0.929 38.964 38.000 0.059 0.000 1.433 310 I HN 0.315 nan 8.210 nan 0.000 0.509 311 T N 0.681 115.224 114.554 -0.019 0.000 3.010 311 T HA 0.337 4.687 4.350 -0.000 0.000 0.257 311 T C 0.585 175.224 174.700 -0.102 0.000 1.020 311 T CA -0.175 61.885 62.100 -0.067 0.000 0.938 311 T CB 0.556 69.361 68.868 -0.105 0.000 1.049 311 T HN 0.573 nan 8.240 nan 0.000 0.522 312 G N 0.901 109.657 108.800 -0.074 0.000 2.660 312 G HA2 0.651 4.611 3.960 -0.000 0.000 0.294 312 G HA3 0.651 4.611 3.960 -0.000 0.000 0.294 312 G C -1.373 173.498 174.900 -0.049 0.000 1.369 312 G CA -0.400 44.644 45.100 -0.092 0.000 0.912 312 G HN 0.903 nan 8.290 nan 0.000 0.479 313 V N -1.619 118.222 119.914 -0.122 0.000 3.114 313 V HA 0.905 5.025 4.120 -0.000 0.000 0.308 313 V C -0.696 175.239 176.094 -0.266 0.000 1.168 313 V CA -1.158 61.016 62.300 -0.210 0.000 1.015 313 V CB 1.886 33.444 31.823 -0.442 0.000 1.050 313 V HN 1.051 nan 8.190 nan 0.000 0.433 314 M N 3.356 122.780 119.600 -0.293 0.000 2.464 314 M HA 0.817 5.297 4.480 -0.000 0.000 0.308 314 M C -2.048 174.079 176.300 -0.289 0.000 1.127 314 M CA -0.612 54.557 55.300 -0.218 0.000 0.913 314 M CB 2.007 34.571 32.600 -0.060 0.000 1.689 314 M HN 0.812 nan 8.290 nan 0.000 0.445 315 I N 2.906 123.345 120.570 -0.217 0.000 2.607 315 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 315 I C -0.985 175.069 176.117 -0.105 0.000 1.129 315 I CA -0.619 60.576 61.300 -0.174 0.000 1.042 315 I CB 2.506 40.387 38.000 -0.198 0.000 1.242 315 I HN 0.667 nan 8.210 nan 0.000 0.421 316 E N 4.212 124.356 120.200 -0.094 0.000 2.046 316 E HA 0.363 4.713 4.350 -0.000 0.000 0.279 316 E C -0.812 175.751 176.600 -0.061 0.000 0.989 316 E CA -0.232 56.101 56.400 -0.111 0.000 0.798 316 E CB 1.697 31.295 29.700 -0.170 0.000 1.086 316 E HN 0.440 nan 8.360 nan 0.000 0.399 317 S N 3.810 119.478 115.700 -0.052 0.000 2.538 317 S HA 0.458 4.928 4.470 -0.000 0.000 0.288 317 S C -0.868 173.679 174.600 -0.088 0.000 1.108 317 S CA -0.743 57.483 58.200 0.043 0.000 0.971 317 S CB 1.240 64.578 63.200 0.230 0.000 1.041 317 S HN 0.436 nan 8.310 nan 0.000 0.483 318 N N 2.397 121.095 118.700 -0.003 0.000 3.038 318 N HA 0.511 5.251 4.740 -0.000 0.000 0.307 318 N C 1.340 176.983 175.510 0.221 0.000 1.441 318 N CA -0.734 52.261 53.050 -0.093 0.000 0.772 318 N CB 1.160 39.553 38.487 -0.156 0.000 1.651 318 N HN 0.638 nan 8.380 nan 0.000 0.593 319 I N 0.233 120.889 120.570 0.143 0.000 2.127 319 I HA -0.188 3.982 4.170 -0.000 0.000 0.241 319 I C 0.208 176.412 176.117 0.145 0.000 1.075 319 I CA 1.178 62.573 61.300 0.158 0.000 1.334 319 I CB -0.241 37.749 38.000 -0.018 0.000 1.040 319 I HN 0.309 nan 8.210 nan 0.000 0.405 320 N N 0.908 119.635 118.700 0.044 0.000 2.328 320 N HA 0.232 4.972 4.740 -0.000 0.000 0.299 320 N C -0.687 174.792 175.510 -0.052 0.000 1.179 320 N CA -0.502 52.562 53.050 0.023 0.000 0.793 320 N CB 1.558 40.050 38.487 0.008 0.000 1.366 320 N HN 0.213 nan 8.380 nan 0.000 0.493 321 E N -0.255 119.896 120.200 -0.082 0.000 2.342 321 E HA 0.545 4.895 4.350 -0.000 0.000 0.257 321 E C 0.623 176.979 176.600 -0.407 0.000 1.150 321 E CA -0.703 55.536 56.400 -0.268 0.000 0.926 321 E CB 0.476 30.078 29.700 -0.162 0.000 1.074 321 E HN 0.651 nan 8.360 nan 0.000 0.449 322 G N 1.039 109.299 108.800 -0.899 0.000 2.632 322 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.224 322 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.224 322 G C -0.766 173.898 174.900 -0.393 0.000 1.341 322 G CA -0.067 44.582 45.100 -0.751 0.000 0.880 322 G HN 1.165 nan 8.290 nan 0.000 0.566 323 N N -0.649 117.929 118.700 -0.203 0.000 2.972 323 N HA 0.661 5.401 4.740 -0.000 0.000 0.262 323 N C -0.725 174.736 175.510 -0.083 0.000 1.478 323 N CA -0.001 52.972 53.050 -0.129 0.000 0.841 323 N CB 1.181 39.611 38.487 -0.094 0.000 1.512 323 N HN 1.508 nan 8.380 nan 0.000 0.548 324 Q N -1.262 118.486 119.800 -0.086 0.000 2.418 324 Q HA 0.654 4.994 4.340 -0.000 0.000 0.282 324 Q C -0.742 175.207 176.000 -0.085 0.000 1.044 324 Q CA -1.288 54.469 55.803 -0.076 0.000 0.813 324 Q CB 1.655 30.340 28.738 -0.088 0.000 1.428 324 Q HN 0.721 nan 8.270 nan 0.000 0.402 325 G N 1.020 109.782 108.800 -0.063 0.000 2.580 325 G HA2 0.503 4.463 3.960 -0.000 0.000 0.278 325 G HA3 0.503 4.463 3.960 -0.000 0.000 0.278 325 G C -0.486 174.360 174.900 -0.091 0.000 1.212 325 G CA -0.980 44.083 45.100 -0.062 0.000 0.939 325 G HN 0.568 nan 8.290 nan 0.000 0.513 326 I N 2.031 122.548 120.570 -0.088 0.000 2.396 326 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 326 I C -1.124 174.955 176.117 -0.063 0.000 1.056 326 I CA -1.188 60.050 61.300 -0.103 0.000 1.365 326 I CB 1.398 39.335 38.000 -0.104 0.000 1.407 326 I HN 0.398 nan 8.210 nan 0.000 0.509 327 P HA 0.389 nan 4.420 nan 0.000 0.323 327 P C -0.699 176.582 177.300 -0.032 0.000 1.435 327 P CA -0.256 62.821 63.100 -0.039 0.000 0.853 327 P CB 0.332 32.010 31.700 -0.036 0.000 2.066 333 G N 0.061 108.845 108.800 -0.027 0.000 3.026 333 G HA2 0.377 4.337 3.960 -0.000 0.000 0.208 333 G HA3 0.377 4.337 3.960 -0.000 0.000 0.208 333 G C 0.374 175.260 174.900 -0.022 0.000 1.169 333 G CA 0.123 45.210 45.100 -0.021 0.000 0.788 333 G HN 0.274 nan 8.290 nan 0.000 0.533 334 L N 1.330 122.535 121.223 -0.031 0.000 2.499 334 L HA 0.354 4.694 4.340 -0.000 0.000 0.273 334 L C 1.074 177.952 176.870 0.013 0.000 1.195 334 L CA -0.346 54.473 54.840 -0.035 0.000 0.882 334 L CB -0.275 41.753 42.059 -0.052 0.000 1.133 334 L HN 0.265 nan 8.230 nan 0.000 0.483 335 K N 4.069 124.476 120.400 0.010 0.000 2.382 335 K HA 0.037 4.357 4.320 -0.000 0.000 0.275 335 K C -0.459 176.195 176.600 0.091 0.000 1.009 335 K CA -0.234 56.081 56.287 0.047 0.000 0.970 335 K CB -0.259 32.255 32.500 0.022 0.000 0.934 335 K HN 0.541 nan 8.250 nan 0.000 0.479 336 Y N 0.917 121.212 120.300 -0.008 0.000 2.425 336 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 336 Y C 1.486 177.382 175.900 -0.006 0.000 1.157 336 Y CA 0.962 59.057 58.100 -0.009 0.000 1.372 336 Y CB 0.721 39.169 38.460 -0.019 0.000 1.253 336 Y HN 1.214 nan 8.280 nan 0.000 0.536 337 G N 3.410 111.882 108.800 -0.546 0.000 2.176 337 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.252 337 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.252 337 G C -1.010 173.771 174.900 -0.198 0.000 1.024 337 G CA 0.218 45.023 45.100 -0.492 0.000 0.755 337 G HN 0.790 nan 8.290 nan 0.000 0.507 338 V N 0.254 120.101 119.914 -0.113 0.000 2.588 338 V HA 0.703 4.823 4.120 -0.000 0.000 0.304 338 V C 0.795 176.858 176.094 -0.053 0.000 1.042 338 V CA -0.202 62.046 62.300 -0.087 0.000 0.877 338 V CB 1.797 33.575 31.823 -0.076 0.000 0.996 338 V HN 0.696 nan 8.190 nan 0.000 0.425 339 S N 4.013 119.660 115.700 -0.088 0.000 2.560 339 S HA 0.206 4.676 4.470 -0.000 0.000 0.284 339 S C 0.952 175.472 174.600 -0.134 0.000 1.327 339 S CA -0.132 58.026 58.200 -0.069 0.000 1.055 339 S CB 0.270 63.417 63.200 -0.088 0.000 0.868 339 S HN 0.726 nan 8.310 nan 0.000 0.506 340 I N 2.055 122.495 120.570 -0.216 0.000 3.875 340 I HA 0.233 4.403 4.170 -0.000 0.000 0.329 340 I C 0.738 176.819 176.117 -0.060 0.000 1.295 340 I CA -0.229 60.917 61.300 -0.256 0.000 1.129 340 I CB -0.559 37.096 38.000 -0.576 0.000 1.008 340 I HN 0.656 nan 8.210 nan 0.000 0.413 341 T N -2.544 112.017 114.554 0.011 0.000 1.672 341 T HA 0.303 4.653 4.350 -0.000 0.000 0.180 341 T C 0.008 174.727 174.700 0.033 0.000 0.699 341 T CA -0.471 61.676 62.100 0.078 0.000 1.153 341 T CB -0.197 68.770 68.868 0.165 0.000 3.217 341 T HN -0.000 nan 8.240 nan 0.000 0.426 342 D N 1.951 122.374 120.400 0.039 0.000 2.399 342 D HA 0.500 5.140 4.640 -0.000 0.000 0.241 342 D C 0.144 176.412 176.300 -0.053 0.000 1.133 342 D CA -0.020 53.982 54.000 0.004 0.000 0.890 342 D CB 0.817 41.612 40.800 -0.008 0.000 1.201 342 D HN 0.802 nan 8.370 nan 0.000 0.432 343 A N 1.500 124.289 122.820 -0.052 0.000 2.477 343 A HA 0.300 4.620 4.320 -0.000 0.000 0.246 343 A C -0.008 177.466 177.584 -0.183 0.000 1.078 343 A CA -0.213 51.732 52.037 -0.153 0.000 0.770 343 A CB 0.149 19.126 19.000 -0.038 0.000 1.011 343 A HN 0.641 nan 8.150 nan 0.000 0.494 344 C N 1.674 120.765 119.300 -0.348 0.000 2.667 344 C HA 0.645 5.105 4.460 -0.000 0.000 0.323 344 C C 0.457 175.253 174.990 -0.322 0.000 1.214 344 C CA -0.616 58.264 59.018 -0.230 0.000 1.721 344 C CB 0.937 28.566 27.740 -0.185 0.000 2.275 344 C HN 0.853 nan 8.230 nan 0.000 0.491 345 I N 1.162 121.713 120.570 -0.032 0.000 2.638 345 I HA 0.604 4.773 4.170 -0.000 0.000 0.286 345 I C 0.740 176.875 176.117 0.030 0.000 1.088 345 I CA 0.227 61.568 61.300 0.067 0.000 1.397 345 I CB 0.081 38.169 38.000 0.146 0.000 1.414 345 I HN 0.713 nan 8.210 nan 0.000 0.566 346 G N 4.238 113.070 108.800 0.055 0.000 2.667 346 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.250 346 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.250 346 G C 0.283 175.292 174.900 0.182 0.000 1.212 346 G CA -0.565 44.603 45.100 0.113 0.000 0.874 346 G HN 1.076 nan 8.290 nan 0.000 0.561 347 W N 0.428 121.764 121.300 0.061 0.000 2.335 347 W HA -0.153 4.507 4.660 -0.000 0.000 0.311 347 W C 2.003 178.537 176.519 0.025 0.000 1.213 347 W CA 1.747 59.123 57.345 0.053 0.000 1.274 347 W CB 0.131 29.608 29.460 0.028 0.000 1.148 347 W HN 0.721 nan 8.180 nan 0.000 0.498 348 E N -0.043 120.112 120.200 -0.075 0.000 2.077 348 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 348 E C 2.075 178.550 176.600 -0.208 0.000 0.989 348 E CA 2.639 58.933 56.400 -0.177 0.000 0.800 348 E CB -0.995 28.709 29.700 0.006 0.000 0.746 348 E HN 0.093 nan 8.360 nan 0.000 0.452 349 T N 0.164 114.654 114.554 -0.107 0.000 2.788 349 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 349 T C 1.898 176.506 174.700 -0.154 0.000 1.044 349 T CA 1.714 63.764 62.100 -0.084 0.000 1.139 349 T CB -0.531 68.340 68.868 0.005 0.000 0.867 349 T HN 0.203 nan 8.240 nan 0.000 0.454 350 T N 1.455 115.865 114.554 -0.240 0.000 2.746 350 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 350 T C 1.942 176.367 174.700 -0.457 0.000 1.039 350 T CA 1.399 63.315 62.100 -0.308 0.000 1.142 350 T CB -0.213 68.481 68.868 -0.290 0.000 0.866 350 T HN 0.548 nan 8.240 nan 0.000 0.444 351 E N 0.644 120.423 120.200 -0.701 0.000 2.072 351 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 351 E C 2.019 178.446 176.600 -0.289 0.000 0.985 351 E CA 0.956 57.005 56.400 -0.585 0.000 0.801 351 E CB -0.034 29.237 29.700 -0.715 0.000 0.750 351 E HN 0.336 nan 8.360 nan 0.000 0.452 352 D N -0.182 120.077 120.400 -0.235 0.000 2.087 352 D HA -0.160 4.479 4.640 -0.000 0.000 0.192 352 D C 2.042 178.280 176.300 -0.103 0.000 0.993 352 D CA 1.424 55.342 54.000 -0.136 0.000 0.828 352 D CB -0.010 40.724 40.800 -0.110 0.000 0.968 352 D HN 0.094 nan 8.370 nan 0.000 0.448 353 V N 1.265 121.121 119.914 -0.097 0.000 2.332 353 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 353 V C 2.640 178.713 176.094 -0.035 0.000 1.055 353 V CA 1.197 63.473 62.300 -0.041 0.000 1.038 353 V CB -0.333 31.488 31.823 -0.004 0.000 0.651 353 V HN 0.252 nan 8.190 nan 0.000 0.450 354 L N -1.210 119.961 121.223 -0.087 0.000 2.179 354 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 354 L C 2.723 179.556 176.870 -0.062 0.000 1.096 354 L CA 1.126 55.919 54.840 -0.077 0.000 0.779 354 L CB -0.441 41.549 42.059 -0.115 0.000 0.922 354 L HN 0.207 nan 8.230 nan 0.000 0.443 355 R N 0.160 120.615 120.500 -0.075 0.000 2.075 355 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 355 R C 2.304 178.581 176.300 -0.038 0.000 1.126 355 R CA 1.068 57.134 56.100 -0.055 0.000 0.963 355 R CB -0.078 30.184 30.300 -0.063 0.000 0.858 355 R HN 0.269 nan 8.270 nan 0.000 0.435 356 K N 0.580 120.958 120.400 -0.037 0.000 2.044 356 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 356 K C 2.095 178.688 176.600 -0.010 0.000 1.049 356 K CA 1.412 57.685 56.287 -0.024 0.000 0.927 356 K CB -0.297 32.188 32.500 -0.025 0.000 0.713 356 K HN 0.080 nan 8.250 nan 0.000 0.443 357 L N 0.674 121.897 121.223 -0.001 0.000 2.156 357 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 357 L C 2.170 179.039 176.870 -0.001 0.000 1.095 357 L CA 1.482 56.331 54.840 0.015 0.000 0.770 357 L CB -0.364 41.717 42.059 0.037 0.000 0.914 357 L HN 0.094 nan 8.230 nan 0.000 0.439 358 A N -0.208 122.603 122.820 -0.014 0.000 1.933 358 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 358 A C 2.445 180.021 177.584 -0.013 0.000 1.175 358 A CA 1.681 53.708 52.037 -0.017 0.000 0.628 358 A CB -1.085 17.901 19.000 -0.023 0.000 0.814 358 A HN 0.572 nan 8.150 nan 0.000 0.444 359 A N -0.267 122.545 122.820 -0.013 0.000 1.929 359 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 359 A C 2.474 180.054 177.584 -0.007 0.000 1.176 359 A CA 1.760 53.790 52.037 -0.011 0.000 0.628 359 A CB -0.924 18.067 19.000 -0.013 0.000 0.816 359 A HN 1.013 nan 8.150 nan 0.000 0.444 360 A N -0.440 122.378 122.820 -0.004 0.000 1.908 360 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 360 A C 2.177 179.761 177.584 0.001 0.000 1.181 360 A CA 1.898 53.935 52.037 0.001 0.000 0.627 360 A CB -0.912 18.092 19.000 0.008 0.000 0.818 360 A HN 0.406 nan 8.150 nan 0.000 0.445 361 V N -0.345 119.568 119.914 -0.001 0.000 2.626 361 V HA -0.208 3.912 4.120 -0.000 0.000 0.252 361 V C 2.602 178.693 176.094 -0.005 0.000 1.067 361 V CA 2.011 64.309 62.300 -0.004 0.000 1.081 361 V CB -0.775 31.043 31.823 -0.009 0.000 0.686 361 V HN 0.508 nan 8.190 nan 0.000 0.468 362 R N -0.334 120.163 120.500 -0.006 0.000 2.062 362 R HA -0.171 4.169 4.340 -0.000 0.000 0.229 362 R C 2.426 178.723 176.300 -0.004 0.000 1.128 362 R CA 1.493 57.589 56.100 -0.006 0.000 0.960 362 R CB -0.324 29.972 30.300 -0.007 0.000 0.855 362 R HN 0.372 nan 8.270 nan 0.000 0.432 363 Q N 1.057 120.855 119.800 -0.003 0.000 2.226 363 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 363 Q C 1.870 177.870 176.000 -0.000 0.000 0.975 363 Q CA 1.597 57.398 55.803 -0.002 0.000 0.866 363 Q CB -0.129 28.608 28.738 -0.002 0.000 0.915 363 Q HN 0.164 nan 8.270 nan 0.000 0.440 364 R N -0.479 120.021 120.500 0.000 0.000 2.073 364 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 364 R C 2.322 178.622 176.300 0.001 0.000 1.120 364 R CA 1.204 57.305 56.100 0.002 0.000 0.967 364 R CB -0.221 30.081 30.300 0.003 0.000 0.862 364 R HN 0.198 nan 8.270 nan 0.000 0.436 365 R N 0.213 120.712 120.500 -0.001 0.000 2.139 365 R HA -0.163 4.177 4.340 -0.000 0.000 0.243 365 R C 1.554 177.853 176.300 -0.001 0.000 1.145 365 R CA 1.788 57.887 56.100 -0.002 0.000 0.976 365 R CB 0.048 30.346 30.300 -0.004 0.000 0.866 365 R HN 0.292 nan 8.270 nan 0.000 0.449 366 E N 0.097 120.296 120.200 -0.001 0.000 2.033 366 E HA -0.041 4.309 4.350 -0.000 0.000 0.189 366 E C 1.170 177.770 176.600 0.001 0.000 0.979 366 E CA 0.469 56.868 56.400 -0.001 0.000 0.802 366 E CB -0.492 29.207 29.700 -0.001 0.000 0.763 366 E HN 0.068 nan 8.360 nan 0.000 0.449 367 V N 0.000 119.915 119.914 0.001 0.000 2.409 367 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 367 V CA 0.000 62.301 62.300 0.002 0.000 1.235 367 V CB 0.000 31.825 31.823 0.003 0.000 1.184 367 V HN 0.000 nan 8.190 nan 0.000 0.556