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 2e1m_1_A DATA FIRST_RESID 18 DATA SEQUENCE MTYEQLAREL LLVGPAPTNE DLKLRYLDVL IDNGLNPPGP PKRILIVGAG DATA SEQUENCE IAGLVAGDLL TRAGHDVTIL EANANRVGGR IKTFHAKKGE PSPFADPAQY DATA SEQUENCE AEAGAMRLPS FHPLTLALID KLGLKRRLFF NVDIDPQTGN QDAPVPPVFY DATA SEQUENCE KSFKDGKTWT NGAPSPEFKE PDKRNHTWIR TNREQVRRAQ YATDPSSINE DATA SEQUENCE GFHLTGCETR LTVSDMVNQA LEPVRDYYSV KQDDGTRVNK PFKEWLAGWA DATA SEQUENCE DVVRDFDGYS MGRFLREYAE FSDEAVEAIG TIENMTSRLH LAFFHSFLGR DATA SEQUENCE SDIDPRATYW EIEGGSRMLP ETLAKDLRDQ IVMGQRMVRL EYYDPGXXXX DATA SEQUENCE XXXXXXXXXP AVAIQTVPE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 18 M C 0.000 176.258 176.300 -0.069 0.000 1.140 18 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 18 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 19 T N -1.313 113.129 114.554 -0.186 0.000 2.833 19 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 19 T C 1.593 176.198 174.700 -0.159 0.000 1.054 19 T CA 1.879 63.854 62.100 -0.208 0.000 1.135 19 T CB -0.848 67.843 68.868 -0.295 0.000 0.869 19 T HN 0.574 nan 8.240 nan 0.000 0.466 20 Y N 1.684 121.980 120.300 -0.006 0.000 2.114 20 Y HA -0.038 4.512 4.550 -0.000 0.000 0.284 20 Y C 2.966 178.858 175.900 -0.014 0.000 1.143 20 Y CA 1.332 59.431 58.100 -0.001 0.000 1.135 20 Y CB -0.269 38.207 38.460 0.027 0.000 0.980 20 Y HN 0.297 nan 8.280 nan 0.000 0.499 21 E N 0.168 120.459 120.200 0.153 0.000 2.085 21 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 21 E C 2.116 178.718 176.600 0.003 0.000 0.994 21 E CA 1.218 57.656 56.400 0.063 0.000 0.801 21 E CB -0.003 29.731 29.700 0.057 0.000 0.743 21 E HN 0.383 nan 8.360 nan 0.000 0.453 22 Q N 0.384 120.181 119.800 -0.005 0.000 2.135 22 Q HA -0.157 4.182 4.340 -0.000 0.000 0.204 22 Q C 2.409 178.375 176.000 -0.057 0.000 0.981 22 Q CA 1.100 56.884 55.803 -0.032 0.000 0.856 22 Q CB -0.283 28.431 28.738 -0.040 0.000 0.902 22 Q HN 0.431 nan 8.270 nan 0.000 0.425 23 L N -0.304 120.889 121.223 -0.050 0.000 2.027 23 L HA -0.158 4.181 4.340 -0.000 0.000 0.206 23 L C 2.429 179.220 176.870 -0.132 0.000 1.074 23 L CA 1.078 55.867 54.840 -0.086 0.000 0.745 23 L CB -0.671 41.349 42.059 -0.065 0.000 0.898 23 L HN 0.119 nan 8.230 nan 0.000 0.433 24 A N -0.083 122.671 122.820 -0.111 0.000 1.917 24 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 24 A C 2.379 179.775 177.584 -0.313 0.000 1.182 24 A CA 1.484 53.388 52.037 -0.222 0.000 0.633 24 A CB -0.469 18.430 19.000 -0.168 0.000 0.819 24 A HN 0.284 nan 8.150 nan 0.000 0.448 25 R N -0.333 120.044 120.500 -0.204 0.000 2.082 25 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 25 R C 1.981 178.184 176.300 -0.163 0.000 1.136 25 R CA 1.508 57.507 56.100 -0.168 0.000 0.935 25 R CB -0.856 29.399 30.300 -0.075 0.000 0.842 25 R HN 0.591 nan 8.270 nan 0.000 0.430 26 E N 0.986 121.106 120.200 -0.133 0.000 2.097 26 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 26 E C 2.086 178.590 176.600 -0.160 0.000 1.000 26 E CA 0.964 57.294 56.400 -0.115 0.000 0.804 26 E CB -0.352 29.286 29.700 -0.104 0.000 0.740 26 E HN 0.146 nan 8.360 nan 0.000 0.454 27 L N 0.657 121.738 121.223 -0.237 0.000 1.994 27 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 27 L C 2.279 178.938 176.870 -0.352 0.000 1.071 27 L CA 1.576 56.229 54.840 -0.310 0.000 0.745 27 L CB -0.438 41.366 42.059 -0.425 0.000 0.892 27 L HN 0.048 nan 8.230 nan 0.000 0.431 28 L N -0.825 120.134 121.223 -0.441 0.000 2.395 28 L HA 0.006 4.346 4.340 -0.000 0.000 0.218 28 L C 0.693 177.470 176.870 -0.155 0.000 1.130 28 L CA -0.077 54.521 54.840 -0.402 0.000 0.826 28 L CB -0.140 41.508 42.059 -0.685 0.000 0.941 28 L HN 0.235 nan 8.230 nan 0.000 0.451 29 L N 0.188 121.341 121.223 -0.117 0.000 3.418 29 L HA -0.151 4.189 4.340 -0.000 0.000 0.493 29 L C -0.805 176.089 176.870 0.040 0.000 1.315 29 L CA -0.298 54.529 54.840 -0.022 0.000 0.885 29 L CB -1.765 40.299 42.059 0.009 0.000 1.727 29 L HN -0.023 nan 8.230 nan 0.000 0.837 30 V N 0.173 120.092 119.914 0.008 0.000 2.448 30 V HA 0.692 4.812 4.120 -0.000 0.000 0.295 30 V C 1.214 177.372 176.094 0.107 0.000 1.025 30 V CA 0.263 62.635 62.300 0.120 0.000 0.859 30 V CB 1.817 33.677 31.823 0.061 0.000 0.988 30 V HN 0.450 nan 8.190 nan 0.000 0.431 31 G N 5.859 114.745 108.800 0.143 0.000 2.583 31 G HA2 0.335 4.295 3.960 -0.000 0.000 0.275 31 G HA3 0.335 4.295 3.960 -0.000 0.000 0.275 31 G C -2.629 172.331 174.900 0.100 0.000 1.342 31 G CA -0.927 44.227 45.100 0.089 0.000 1.030 31 G HN 0.553 nan 8.290 nan 0.000 0.520 32 P HA 0.196 nan 4.420 nan 0.000 0.269 32 P C 0.920 178.271 177.300 0.085 0.000 1.209 32 P CA 0.587 63.727 63.100 0.067 0.000 0.776 32 P CB 0.945 32.670 31.700 0.042 0.000 0.876 33 A N 6.377 129.251 122.820 0.090 0.000 1.957 33 A HA -0.239 4.081 4.320 -0.000 0.000 0.224 33 A C -0.214 177.412 177.584 0.070 0.000 1.287 33 A CA 2.382 54.479 52.037 0.101 0.000 0.682 33 A CB -2.693 16.357 19.000 0.083 0.000 0.833 33 A HN 0.562 nan 8.150 nan 0.000 0.482 34 P HA -0.157 nan 4.420 nan 0.000 0.205 34 P C 1.431 178.735 177.300 0.006 0.000 1.181 34 P CA 2.206 65.320 63.100 0.024 0.000 0.933 34 P CB -0.715 30.996 31.700 0.019 0.000 0.775 35 T N -1.220 113.339 114.554 0.009 0.000 2.812 35 T HA -0.030 4.319 4.350 -0.000 0.000 0.264 35 T C 0.544 175.240 174.700 -0.007 0.000 1.042 35 T CA 0.939 63.034 62.100 -0.009 0.000 1.140 35 T CB -0.824 68.043 68.868 -0.002 0.000 0.870 35 T HN 0.199 nan 8.240 nan 0.000 0.445 36 N N 1.976 120.715 118.700 0.064 0.000 2.771 36 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 36 N C -0.234 175.412 175.510 0.226 0.000 1.069 36 N CA 0.368 53.526 53.050 0.178 0.000 0.688 36 N CB -1.288 37.259 38.487 0.100 0.000 0.928 36 N HN 0.728 nan 8.380 nan 0.000 0.551 37 E N 0.504 120.789 120.200 0.142 0.000 2.415 37 E HA 0.007 4.357 4.350 -0.000 0.000 0.262 37 E C -0.410 176.311 176.600 0.201 0.000 1.038 37 E CA -0.128 56.330 56.400 0.097 0.000 0.921 37 E CB 0.497 30.215 29.700 0.029 0.000 0.950 37 E HN 0.187 nan 8.360 nan 0.000 0.438 38 D N 4.082 124.547 120.400 0.108 0.000 2.456 38 D HA 0.099 4.739 4.640 -0.000 0.000 0.219 38 D C 0.859 177.161 176.300 0.004 0.000 1.126 38 D CA -0.153 53.968 54.000 0.202 0.000 0.890 38 D CB 0.303 41.103 40.800 0.001 0.000 1.025 38 D HN 0.491 nan 8.370 nan 0.000 0.511 39 L N 2.778 123.950 121.223 -0.086 0.000 2.261 39 L HA -0.147 4.193 4.340 -0.000 0.000 0.216 39 L C 2.156 178.612 176.870 -0.691 0.000 1.114 39 L CA 0.793 55.343 54.840 -0.483 0.000 0.777 39 L CB -0.271 41.467 42.059 -0.536 0.000 0.910 39 L HN 0.307 nan 8.230 nan 0.000 0.440 40 K N 0.647 120.845 120.400 -0.338 0.000 2.211 40 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 40 K C 1.858 178.215 176.600 -0.406 0.000 1.050 40 K CA 1.251 57.298 56.287 -0.399 0.000 0.945 40 K CB -0.142 32.014 32.500 -0.574 0.000 0.732 40 K HN 0.218 nan 8.250 nan 0.000 0.451 41 L N -0.222 120.857 121.223 -0.239 0.000 2.023 41 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 41 L C 2.683 179.455 176.870 -0.164 0.000 1.073 41 L CA 1.410 56.166 54.840 -0.139 0.000 0.745 41 L CB -0.474 41.578 42.059 -0.011 0.000 0.900 41 L HN 0.185 nan 8.230 nan 0.000 0.435 42 R N -0.245 120.130 120.500 -0.209 0.000 2.091 42 R HA -0.216 4.124 4.340 -0.000 0.000 0.238 42 R C 2.372 178.635 176.300 -0.061 0.000 1.136 42 R CA 1.914 57.923 56.100 -0.153 0.000 0.959 42 R CB -0.445 29.730 30.300 -0.208 0.000 0.856 42 R HN 0.364 nan 8.270 nan 0.000 0.437 43 Y N 0.268 120.485 120.300 -0.138 0.000 2.200 43 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 43 Y C 2.396 178.158 175.900 -0.230 0.000 1.137 43 Y CA 0.444 58.442 58.100 -0.170 0.000 1.163 43 Y CB -0.099 38.243 38.460 -0.196 0.000 0.988 43 Y HN 0.080 nan 8.280 nan 0.000 0.518 44 L N -0.010 121.089 121.223 -0.207 0.000 2.083 44 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 44 L C 2.027 178.785 176.870 -0.188 0.000 1.083 44 L CA 1.450 56.008 54.840 -0.469 0.000 0.752 44 L CB -0.397 41.025 42.059 -1.062 0.000 0.899 44 L HN 0.248 nan 8.230 nan 0.000 0.433 45 D N -0.375 119.994 120.400 -0.052 0.000 2.077 45 D HA -0.173 4.466 4.640 -0.000 0.000 0.193 45 D C 2.068 178.402 176.300 0.056 0.000 0.989 45 D CA 1.513 55.557 54.000 0.073 0.000 0.831 45 D CB 0.025 40.858 40.800 0.055 0.000 0.979 45 D HN 0.005 nan 8.370 nan 0.000 0.449 46 V N 0.272 120.209 119.914 0.039 0.000 2.594 46 V HA -0.152 3.968 4.120 -0.000 0.000 0.253 46 V C 2.338 178.439 176.094 0.012 0.000 1.069 46 V CA 1.325 63.646 62.300 0.035 0.000 1.082 46 V CB -0.398 31.454 31.823 0.048 0.000 0.680 46 V HN 0.274 nan 8.190 nan 0.000 0.469 47 L N -1.365 119.851 121.223 -0.012 0.000 2.298 47 L HA 0.192 4.532 4.340 -0.000 0.000 0.209 47 L C 1.909 178.772 176.870 -0.011 0.000 1.084 47 L CA 1.475 56.294 54.840 -0.035 0.000 0.816 47 L CB 0.085 42.093 42.059 -0.085 0.000 0.967 47 L HN 0.083 nan 8.230 nan 0.000 0.460 48 I N -1.235 119.347 120.570 0.021 0.000 3.136 48 I HA 0.052 4.222 4.170 -0.000 0.000 0.262 48 I C 1.676 177.882 176.117 0.149 0.000 1.132 48 I CA 0.513 61.877 61.300 0.106 0.000 1.450 48 I CB -1.155 36.971 38.000 0.211 0.000 1.315 48 I HN 0.138 nan 8.210 nan 0.000 0.460 49 D N 1.731 122.240 120.400 0.182 0.000 2.096 49 D HA -0.075 4.565 4.640 -0.000 0.000 0.214 49 D C 1.656 178.002 176.300 0.076 0.000 0.974 49 D CA 1.272 55.357 54.000 0.142 0.000 0.890 49 D CB -0.257 40.647 40.800 0.173 0.000 1.016 49 D HN 0.251 nan 8.370 nan 0.000 0.447 50 N N 0.212 118.952 118.700 0.066 0.000 2.319 50 N HA 0.182 4.921 4.740 -0.000 0.000 0.189 50 N C 1.417 176.947 175.510 0.034 0.000 1.042 50 N CA 1.205 54.280 53.050 0.042 0.000 0.879 50 N CB 0.421 38.931 38.487 0.038 0.000 1.052 50 N HN 0.386 nan 8.380 nan 0.000 0.446 51 G N 0.415 109.236 108.800 0.034 0.000 2.343 51 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.562 51 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.562 51 G C -1.275 173.643 174.900 0.030 0.000 1.269 51 G CA -0.837 44.278 45.100 0.026 0.000 1.011 51 G HN 0.159 nan 8.290 nan 0.000 0.498 52 L N 1.865 123.107 121.223 0.032 0.000 2.698 52 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 52 L C 1.755 178.648 176.870 0.038 0.000 1.154 52 L CA -0.321 54.543 54.840 0.040 0.000 0.964 52 L CB -0.142 41.952 42.059 0.059 0.000 1.272 52 L HN 0.611 nan 8.230 nan 0.000 0.483 53 N N 4.585 123.305 118.700 0.033 0.000 2.004 53 N HA -0.118 4.621 4.740 -0.000 0.000 0.196 53 N C -1.757 173.768 175.510 0.024 0.000 1.080 53 N CA 1.285 54.351 53.050 0.026 0.000 0.881 53 N CB -0.778 37.724 38.487 0.024 0.000 1.073 53 N HN 0.479 nan 8.380 nan 0.000 0.439 54 P HA 0.275 nan 4.420 nan 0.000 0.284 54 P C -2.627 174.691 177.300 0.029 0.000 1.432 54 P CA -1.348 61.764 63.100 0.020 0.000 0.929 54 P CB 1.062 32.772 31.700 0.016 0.000 1.158 55 P HA 0.026 nan 4.420 nan 0.000 0.248 55 P C 1.257 178.556 177.300 -0.002 0.000 1.550 55 P CA 0.519 63.627 63.100 0.014 0.000 1.252 55 P CB -0.435 31.235 31.700 -0.048 0.000 1.869 56 G N 4.621 113.458 108.800 0.062 0.000 2.883 56 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.309 56 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.309 56 G C -1.812 173.112 174.900 0.041 0.000 1.278 56 G CA -0.866 44.270 45.100 0.059 0.000 1.103 56 G HN 0.308 nan 8.290 nan 0.000 0.676 57 P HA 0.043 nan 4.420 nan 0.000 0.242 57 P C -2.260 175.071 177.300 0.052 0.000 1.116 57 P CA -0.624 62.497 63.100 0.034 0.000 0.954 57 P CB -0.388 31.338 31.700 0.043 0.000 0.908 58 P HA -0.085 nan 4.420 nan 0.000 0.256 58 P C 0.054 177.400 177.300 0.077 0.000 1.173 58 P CA 0.887 63.914 63.100 -0.122 0.000 0.768 58 P CB 0.376 31.974 31.700 -0.169 0.000 0.758 59 K N 3.194 123.758 120.400 0.274 0.000 2.378 59 K HA 0.524 4.843 4.320 -0.000 0.000 0.244 59 K C -0.277 176.405 176.600 0.138 0.000 1.039 59 K CA -1.281 55.102 56.287 0.159 0.000 0.863 59 K CB 1.296 33.864 32.500 0.115 0.000 1.326 59 K HN 0.099 nan 8.250 nan 0.000 0.460 60 R N 1.413 121.956 120.500 0.071 0.000 2.267 60 R HA 0.382 4.722 4.340 -0.000 0.000 0.319 60 R C -0.631 175.684 176.300 0.025 0.000 1.067 60 R CA -0.460 55.669 56.100 0.047 0.000 0.936 60 R CB -0.765 29.555 30.300 0.033 0.000 1.006 60 R HN 0.684 nan 8.270 nan 0.000 0.452 61 I N 5.592 126.168 120.570 0.011 0.000 2.436 61 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 61 I C -0.104 176.001 176.117 -0.021 0.000 1.010 61 I CA -0.646 60.640 61.300 -0.023 0.000 1.098 61 I CB 1.964 39.922 38.000 -0.070 0.000 1.266 61 I HN 0.236 nan 8.210 nan 0.000 0.434 62 L N 7.244 128.454 121.223 -0.022 0.000 2.255 62 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 62 L C -0.494 176.357 176.870 -0.032 0.000 1.046 62 L CA -0.373 54.456 54.840 -0.019 0.000 0.816 62 L CB 0.980 43.034 42.059 -0.007 0.000 1.197 62 L HN 0.498 nan 8.230 nan 0.000 0.427 63 I N 4.195 124.745 120.570 -0.033 0.000 2.355 63 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 63 I C -0.225 175.871 176.117 -0.034 0.000 0.999 63 I CA -0.628 60.647 61.300 -0.041 0.000 1.163 63 I CB 2.034 40.006 38.000 -0.047 0.000 1.316 63 I HN 0.211 nan 8.210 nan 0.000 0.454 64 V N 5.682 125.575 119.914 -0.035 0.000 2.432 64 V HA 0.755 4.875 4.120 -0.000 0.000 0.275 64 V C 0.516 176.590 176.094 -0.034 0.000 1.043 64 V CA -0.393 61.889 62.300 -0.029 0.000 0.925 64 V CB 0.793 32.601 31.823 -0.025 0.000 0.985 64 V HN 1.037 nan 8.190 nan 0.000 0.466 65 G N 3.987 112.769 108.800 -0.030 0.000 3.338 65 G HA2 0.259 4.219 3.960 -0.000 0.000 0.686 65 G HA3 0.259 4.219 3.960 -0.000 0.000 0.686 65 G C -0.125 174.754 174.900 -0.035 0.000 1.053 65 G CA -0.305 44.776 45.100 -0.032 0.000 0.852 65 G HN 1.540 nan 8.290 nan 0.000 0.545 66 A N 1.929 124.730 122.820 -0.031 0.000 3.012 66 A HA 0.752 5.072 4.320 -0.000 0.000 0.295 66 A C 1.419 178.981 177.584 -0.035 0.000 1.338 66 A CA 1.109 53.126 52.037 -0.032 0.000 0.981 66 A CB -0.253 18.731 19.000 -0.026 0.000 1.091 66 A HN 2.085 nan 8.150 nan 0.000 0.602 67 G N -0.772 108.003 108.800 -0.040 0.000 2.543 67 G HA2 0.382 4.342 3.960 -0.000 0.000 0.290 67 G HA3 0.382 4.342 3.960 -0.000 0.000 0.290 67 G C 0.953 175.823 174.900 -0.050 0.000 1.310 67 G CA -0.178 44.896 45.100 -0.043 0.000 1.025 67 G HN 0.235 nan 8.290 nan 0.000 0.502 68 I N 0.622 121.159 120.570 -0.054 0.000 2.208 68 I HA -0.179 3.990 4.170 -0.000 0.000 0.245 68 I C 2.876 178.948 176.117 -0.075 0.000 1.097 68 I CA 2.105 63.368 61.300 -0.063 0.000 1.363 68 I CB -0.518 37.443 38.000 -0.066 0.000 1.051 68 I HN 0.465 nan 8.210 nan 0.000 0.413 69 A N 0.222 122.994 122.820 -0.080 0.000 1.865 69 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 69 A C 2.475 180.007 177.584 -0.086 0.000 1.191 69 A CA 2.034 54.015 52.037 -0.093 0.000 0.623 69 A CB -1.799 17.145 19.000 -0.092 0.000 0.826 69 A HN 0.509 nan 8.150 nan 0.000 0.444 70 G N -0.266 108.491 108.800 -0.071 0.000 2.433 70 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 70 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 70 G C 1.560 176.423 174.900 -0.060 0.000 1.186 70 G CA 1.058 46.119 45.100 -0.064 0.000 0.779 70 G HN 0.439 nan 8.290 nan 0.000 0.543 71 L N 0.185 121.375 121.223 -0.055 0.000 2.079 71 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 71 L C 2.968 179.805 176.870 -0.056 0.000 1.081 71 L CA 0.553 55.364 54.840 -0.050 0.000 0.752 71 L CB -0.586 41.446 42.059 -0.046 0.000 0.896 71 L HN 0.106 nan 8.230 nan 0.000 0.433 72 V N -0.057 119.815 119.914 -0.069 0.000 2.307 72 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 72 V C 2.716 178.763 176.094 -0.079 0.000 1.045 72 V CA 1.800 64.054 62.300 -0.078 0.000 1.024 72 V CB -0.631 31.132 31.823 -0.100 0.000 0.651 72 V HN 0.464 nan 8.190 nan 0.000 0.449 73 A N 0.392 123.159 122.820 -0.088 0.000 1.898 73 A HA -0.042 4.277 4.320 -0.000 0.000 0.216 73 A C 2.387 179.928 177.584 -0.072 0.000 1.181 73 A CA 1.731 53.713 52.037 -0.091 0.000 0.620 73 A CB -1.203 17.735 19.000 -0.103 0.000 0.819 73 A HN 0.527 nan 8.150 nan 0.000 0.442 74 G N -0.495 108.268 108.800 -0.061 0.000 2.470 74 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 74 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 74 G C 1.339 176.221 174.900 -0.030 0.000 1.121 74 G CA 1.305 46.377 45.100 -0.045 0.000 0.766 74 G HN 0.589 nan 8.290 nan 0.000 0.553 75 D N 0.294 120.674 120.400 -0.034 0.000 2.197 75 D HA 0.006 4.645 4.640 -0.000 0.000 0.212 75 D C 2.580 178.872 176.300 -0.013 0.000 0.963 75 D CA 0.168 54.155 54.000 -0.022 0.000 0.864 75 D CB -0.054 40.729 40.800 -0.028 0.000 1.009 75 D HN 0.299 nan 8.370 nan 0.000 0.479 76 L N 0.575 121.783 121.223 -0.024 0.000 2.017 76 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 76 L C 2.838 179.718 176.870 0.016 0.000 1.073 76 L CA 0.787 55.620 54.840 -0.012 0.000 0.745 76 L CB -0.357 41.683 42.059 -0.031 0.000 0.894 76 L HN 0.089 nan 8.230 nan 0.000 0.432 77 L N -1.146 120.076 121.223 -0.003 0.000 2.083 77 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 77 L C 2.585 179.534 176.870 0.131 0.000 1.083 77 L CA 1.379 56.235 54.840 0.027 0.000 0.752 77 L CB -0.736 41.257 42.059 -0.110 0.000 0.899 77 L HN 0.265 nan 8.230 nan 0.000 0.433 78 T N -0.830 113.762 114.554 0.062 0.000 2.737 78 T HA -0.153 4.196 4.350 -0.000 0.000 0.265 78 T C 1.991 176.725 174.700 0.055 0.000 1.038 78 T CA 1.048 63.186 62.100 0.063 0.000 1.144 78 T CB -0.122 68.761 68.868 0.026 0.000 0.866 78 T HN 0.232 nan 8.240 nan 0.000 0.434 79 R N 0.799 121.323 120.500 0.039 0.000 2.249 79 R HA 0.028 4.368 4.340 -0.000 0.000 0.230 79 R C 1.780 178.099 176.300 0.031 0.000 1.121 79 R CA 0.959 57.074 56.100 0.026 0.000 0.997 79 R CB -0.129 30.181 30.300 0.017 0.000 0.867 79 R HN 0.263 nan 8.270 nan 0.000 0.465 80 A N 0.256 123.118 122.820 0.070 0.000 2.507 80 A HA 0.324 4.643 4.320 -0.000 0.000 0.270 80 A C 0.484 178.038 177.584 -0.050 0.000 1.318 80 A CA 0.281 52.351 52.037 0.056 0.000 0.924 80 A CB 0.228 19.312 19.000 0.139 0.000 1.061 80 A HN 0.293 nan 8.150 nan 0.000 0.516 81 G N 0.702 109.475 108.800 -0.045 0.000 2.487 81 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.243 81 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.243 81 G C -0.507 174.199 174.900 -0.324 0.000 0.918 81 G CA 0.274 45.292 45.100 -0.137 0.000 1.260 81 G HN 0.739 nan 8.290 nan 0.000 0.408 82 H N 0.598 119.663 119.070 -0.008 0.000 3.042 82 H HA 0.345 4.901 4.556 -0.000 0.000 0.346 82 H C -1.156 174.167 175.328 -0.008 0.000 1.294 82 H CA -0.863 55.181 56.048 -0.008 0.000 1.141 82 H CB 2.177 31.933 29.762 -0.010 0.000 1.872 82 H HN 0.364 nan 8.280 nan 0.000 0.541 83 D N 2.050 122.529 120.400 0.131 0.000 2.468 83 D HA 0.239 4.879 4.640 -0.000 0.000 0.218 83 D C -0.672 175.659 176.300 0.051 0.000 1.155 83 D CA -0.153 53.886 54.000 0.065 0.000 0.924 83 D CB 0.126 40.953 40.800 0.043 0.000 1.029 83 D HN 0.116 nan 8.370 nan 0.000 0.515 84 V N 3.401 123.340 119.914 0.041 0.000 2.432 84 V HA 0.401 4.521 4.120 -0.000 0.000 0.275 84 V C 0.579 176.675 176.094 0.004 0.000 1.043 84 V CA -0.267 62.041 62.300 0.014 0.000 0.925 84 V CB 1.697 33.525 31.823 0.009 0.000 0.985 84 V HN 0.470 nan 8.190 nan 0.000 0.466 85 T N 6.424 120.976 114.554 -0.004 0.000 2.840 85 T HA 0.578 4.928 4.350 -0.000 0.000 0.287 85 T C -0.328 174.364 174.700 -0.013 0.000 0.991 85 T CA -0.165 61.932 62.100 -0.006 0.000 0.964 85 T CB 0.895 69.762 68.868 -0.002 0.000 0.954 85 T HN 0.399 nan 8.240 nan 0.000 0.438 86 I N 4.489 125.050 120.570 -0.014 0.000 2.337 86 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 86 I C -0.273 175.834 176.117 -0.016 0.000 1.041 86 I CA -0.610 60.678 61.300 -0.020 0.000 1.199 86 I CB 0.765 38.752 38.000 -0.023 0.000 1.370 86 I HN 0.364 nan 8.210 nan 0.000 0.470 87 L N 6.081 127.294 121.223 -0.016 0.000 2.313 87 L HA 0.250 4.590 4.340 -0.000 0.000 0.282 87 L C 0.185 177.046 176.870 -0.015 0.000 1.092 87 L CA 0.043 54.875 54.840 -0.013 0.000 0.831 87 L CB 0.466 42.519 42.059 -0.010 0.000 1.159 87 L HN 0.523 nan 8.230 nan 0.000 0.442 88 E N 2.696 122.888 120.200 -0.014 0.000 2.185 88 E HA 0.424 4.774 4.350 -0.000 0.000 0.261 88 E C 0.330 176.922 176.600 -0.012 0.000 0.879 88 E CA -0.332 56.059 56.400 -0.015 0.000 0.756 88 E CB 1.878 31.568 29.700 -0.016 0.000 1.152 88 E HN 0.540 nan 8.360 nan 0.000 0.416 89 A N 4.911 127.723 122.820 -0.012 0.000 1.940 89 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 89 A C 1.291 178.869 177.584 -0.010 0.000 1.176 89 A CA 0.945 52.977 52.037 -0.010 0.000 0.631 89 A CB -0.597 18.397 19.000 -0.010 0.000 0.814 89 A HN 0.668 nan 8.150 nan 0.000 0.446 90 N N -0.126 118.567 118.700 -0.012 0.000 2.454 90 N HA 0.244 4.984 4.740 -0.000 0.000 0.254 90 N C 0.751 176.255 175.510 -0.010 0.000 1.228 90 N CA 0.719 53.762 53.050 -0.012 0.000 0.900 90 N CB 1.068 39.546 38.487 -0.015 0.000 1.089 90 N HN 0.185 nan 8.380 nan 0.000 0.449 91 A N 3.300 126.115 122.820 -0.009 0.000 2.220 91 A HA 0.121 4.441 4.320 -0.000 0.000 0.211 91 A C 0.981 178.561 177.584 -0.007 0.000 1.176 91 A CA 0.335 52.368 52.037 -0.007 0.000 0.834 91 A CB 0.142 19.139 19.000 -0.006 0.000 0.868 91 A HN 0.806 nan 8.150 nan 0.000 0.488 92 N N -1.417 117.277 118.700 -0.009 0.000 2.082 92 N HA 0.134 4.874 4.740 -0.000 0.000 0.228 92 N C -0.131 175.374 175.510 -0.007 0.000 1.341 92 N CA 0.022 53.067 53.050 -0.008 0.000 0.873 92 N CB 1.194 39.675 38.487 -0.010 0.000 1.137 92 N HN 0.282 nan 8.380 nan 0.000 0.505 93 R N 1.460 121.954 120.500 -0.011 0.000 2.651 93 R HA 0.434 4.774 4.340 -0.000 0.000 0.278 93 R C -0.952 175.340 176.300 -0.014 0.000 1.010 93 R CA -0.518 55.576 56.100 -0.010 0.000 0.896 93 R CB 2.491 32.780 30.300 -0.018 0.000 1.211 93 R HN -0.107 nan 8.270 nan 0.000 0.456 94 V N -0.084 119.821 119.914 -0.013 0.000 3.096 94 V HA 0.924 5.044 4.120 -0.000 0.000 0.319 94 V C 0.612 176.693 176.094 -0.023 0.000 1.103 94 V CA 0.476 62.764 62.300 -0.019 0.000 1.016 94 V CB 1.477 33.288 31.823 -0.019 0.000 1.090 94 V HN 0.979 nan 8.190 nan 0.000 0.449 95 G N -0.677 108.106 108.800 -0.029 0.000 2.278 95 G HA2 0.154 4.114 3.960 -0.000 0.000 0.210 95 G HA3 0.154 4.114 3.960 -0.000 0.000 0.210 95 G C 1.701 176.579 174.900 -0.036 0.000 1.000 95 G CA 0.755 45.836 45.100 -0.033 0.000 0.635 95 G HN 2.736 nan 8.290 nan 0.000 0.495 96 G N 0.585 109.364 108.800 -0.035 0.000 2.629 96 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.313 96 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.313 96 G C 0.782 175.659 174.900 -0.037 0.000 1.217 96 G CA 1.249 46.329 45.100 -0.035 0.000 0.994 96 G HN 1.211 nan 8.290 nan 0.000 0.549 97 R N 0.413 120.892 120.500 -0.034 0.000 2.346 97 R HA 0.256 4.596 4.340 -0.000 0.000 0.208 97 R C 0.398 176.678 176.300 -0.034 0.000 1.052 97 R CA 0.305 56.386 56.100 -0.032 0.000 1.116 97 R CB -0.356 29.930 30.300 -0.024 0.000 1.003 97 R HN 0.399 nan 8.270 nan 0.000 0.482 98 I N 1.188 121.735 120.570 -0.039 0.000 2.555 98 I HA 0.176 4.346 4.170 -0.000 0.000 0.275 98 I C -0.402 175.687 176.117 -0.046 0.000 1.082 98 I CA -0.436 60.842 61.300 -0.037 0.000 1.167 98 I CB 0.949 38.930 38.000 -0.033 0.000 1.312 98 I HN -0.075 nan 8.210 nan 0.000 0.493 99 K N 3.838 124.196 120.400 -0.071 0.000 2.318 99 K HA 0.728 5.048 4.320 -0.000 0.000 0.249 99 K C -1.028 175.493 176.600 -0.132 0.000 0.942 99 K CA -0.306 55.911 56.287 -0.117 0.000 0.808 99 K CB 2.300 34.687 32.500 -0.189 0.000 1.189 99 K HN 0.265 nan 8.250 nan 0.000 0.428 100 T N 3.047 117.542 114.554 -0.099 0.000 2.991 100 T HA 0.356 4.706 4.350 -0.000 0.000 0.303 100 T C -1.186 173.566 174.700 0.087 0.000 1.015 100 T CA -0.559 61.554 62.100 0.023 0.000 1.007 100 T CB 0.224 69.188 68.868 0.161 0.000 1.034 100 T HN 0.308 nan 8.240 nan 0.000 0.446 101 F N 6.095 126.203 119.950 0.263 0.000 2.506 101 F HA 0.338 4.865 4.527 -0.000 0.000 0.371 101 F C 1.407 177.390 175.800 0.304 0.000 1.078 101 F CA -0.028 58.065 58.000 0.155 0.000 1.195 101 F CB 0.232 39.277 39.000 0.075 0.000 1.099 101 F HN 0.563 nan 8.300 nan 0.000 0.548 102 H N 0.832 120.057 119.070 0.257 0.000 3.064 102 H HA 0.649 5.205 4.556 -0.000 0.000 0.352 102 H C -1.258 174.143 175.328 0.121 0.000 1.260 102 H CA -1.503 54.674 56.048 0.216 0.000 1.160 102 H CB 0.824 30.660 29.762 0.122 0.000 1.879 102 H HN 0.649 nan 8.280 nan 0.000 0.544 103 A N 2.478 125.384 122.820 0.142 0.000 2.548 103 A HA 0.189 4.509 4.320 -0.000 0.000 0.247 103 A C 0.030 177.631 177.584 0.028 0.000 1.067 103 A CA -0.087 51.982 52.037 0.053 0.000 0.757 103 A CB -0.127 18.936 19.000 0.104 0.000 0.996 103 A HN 0.556 nan 8.150 nan 0.000 0.504 104 K N 2.719 123.087 120.400 -0.054 0.000 2.334 104 K HA 0.156 4.476 4.320 -0.000 0.000 0.265 104 K C -0.234 176.372 176.600 0.010 0.000 1.039 104 K CA -0.559 55.709 56.287 -0.032 0.000 0.920 104 K CB 1.351 33.793 32.500 -0.097 0.000 1.160 104 K HN 0.757 nan 8.250 nan 0.000 0.451 105 K N 1.619 122.043 120.400 0.039 0.000 2.359 105 K HA -0.252 4.068 4.320 -0.000 0.000 0.256 105 K C 0.607 177.216 176.600 0.016 0.000 1.194 105 K CA 1.451 57.757 56.287 0.030 0.000 1.234 105 K CB -0.470 32.050 32.500 0.033 0.000 0.776 105 K HN 0.958 nan 8.250 nan 0.000 0.504 106 G N 2.454 111.261 108.800 0.012 0.000 2.229 106 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.189 106 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.189 106 G C -0.379 174.521 174.900 0.000 0.000 1.000 106 G CA 0.209 45.312 45.100 0.006 0.000 0.663 106 G HN 0.735 nan 8.290 nan 0.000 0.493 107 E N -0.184 120.014 120.200 -0.004 0.000 2.460 107 E HA 0.629 4.978 4.350 -0.000 0.000 0.277 107 E C -3.056 173.537 176.600 -0.011 0.000 1.010 107 E CA -1.919 54.475 56.400 -0.010 0.000 0.838 107 E CB 0.655 30.343 29.700 -0.019 0.000 1.448 107 E HN 0.004 nan 8.360 nan 0.000 0.462 108 P HA 0.044 nan 4.420 nan 0.000 0.266 108 P C -0.651 176.631 177.300 -0.030 0.000 1.195 108 P CA 0.028 63.117 63.100 -0.019 0.000 0.768 108 P CB 0.548 32.233 31.700 -0.026 0.000 0.838 109 S N 3.387 119.078 115.700 -0.015 0.000 2.584 109 S HA 0.244 4.714 4.470 -0.000 0.000 0.273 109 S C -1.266 173.280 174.600 -0.090 0.000 1.311 109 S CA -0.908 57.284 58.200 -0.013 0.000 1.034 109 S CB 0.510 63.742 63.200 0.054 0.000 0.939 109 S HN 0.361 nan 8.310 nan 0.000 0.513 110 P HA -0.035 nan 4.420 nan 0.000 0.218 110 P C -0.238 176.631 177.300 -0.719 0.000 1.148 110 P CA 1.182 63.964 63.100 -0.531 0.000 0.822 110 P CB -0.085 31.196 31.700 -0.699 0.000 0.784 111 F N -2.101 117.853 119.950 0.006 0.000 2.598 111 F HA 0.599 5.126 4.527 -0.000 0.000 0.327 111 F C 1.842 177.648 175.800 0.010 0.000 1.057 111 F CA -1.036 56.961 58.000 -0.004 0.000 0.957 111 F CB 0.478 39.484 39.000 0.009 0.000 1.278 111 F HN -0.279 nan 8.300 nan 0.000 0.484 112 A N -0.211 122.732 122.820 0.205 0.000 1.892 112 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 112 A C 0.909 178.561 177.584 0.115 0.000 1.188 112 A CA 1.898 54.004 52.037 0.115 0.000 0.631 112 A CB -0.654 18.397 19.000 0.085 0.000 0.822 112 A HN 0.701 nan 8.150 nan 0.000 0.447 113 D N -0.708 119.774 120.400 0.137 0.000 2.336 113 D HA 0.279 4.919 4.640 -0.000 0.000 0.249 113 D C -1.940 174.458 176.300 0.163 0.000 1.213 113 D CA -2.171 51.899 54.000 0.116 0.000 0.870 113 D CB 1.108 41.959 40.800 0.085 0.000 1.076 113 D HN 0.015 nan 8.370 nan 0.000 0.483 114 P HA -0.056 nan 4.420 nan 0.000 0.223 114 P C 0.527 177.931 177.300 0.174 0.000 1.144 114 P CA 0.796 63.980 63.100 0.140 0.000 0.783 114 P CB 0.298 32.056 31.700 0.096 0.000 0.771 115 A N -1.986 120.934 122.820 0.166 0.000 2.275 115 A HA 0.042 4.362 4.320 -0.000 0.000 0.212 115 A C 1.099 178.836 177.584 0.255 0.000 1.201 115 A CA 0.342 52.489 52.037 0.182 0.000 0.843 115 A CB -0.370 18.709 19.000 0.131 0.000 0.873 115 A HN 0.069 nan 8.150 nan 0.000 0.492 116 Q N -0.394 119.571 119.800 0.275 0.000 2.227 116 Q HA 0.550 4.890 4.340 -0.000 0.000 0.245 116 Q C -1.089 175.224 176.000 0.520 0.000 0.926 116 Q CA -0.182 55.773 55.803 0.253 0.000 0.895 116 Q CB 1.345 30.097 28.738 0.024 0.000 1.230 116 Q HN 0.590 nan 8.270 nan 0.000 0.450 117 Y N -2.327 118.122 120.300 0.247 0.000 2.604 117 Y HA 0.773 5.323 4.550 -0.000 0.000 0.331 117 Y C -1.873 174.222 175.900 0.326 0.000 1.158 117 Y CA -1.155 57.205 58.100 0.433 0.000 1.056 117 Y CB 0.855 39.509 38.460 0.322 0.000 1.330 117 Y HN 0.643 nan 8.280 nan 0.000 0.457 118 A N 1.590 124.733 122.820 0.538 0.000 2.594 118 A HA 0.732 5.052 4.320 -0.000 0.000 0.291 118 A C -1.546 176.300 177.584 0.437 0.000 1.105 118 A CA -1.013 51.223 52.037 0.333 0.000 0.694 118 A CB 1.669 20.852 19.000 0.305 0.000 1.291 118 A HN 0.636 nan 8.150 nan 0.000 0.410 119 E N 0.638 121.007 120.200 0.281 0.000 2.289 119 E HA 0.477 4.827 4.350 -0.000 0.000 0.278 119 E C 0.754 177.460 176.600 0.177 0.000 1.032 119 E CA 0.373 56.886 56.400 0.189 0.000 0.854 119 E CB 1.580 31.358 29.700 0.129 0.000 1.046 119 E HN 0.712 nan 8.360 nan 0.000 0.409 120 A N 2.556 125.373 122.820 -0.004 0.000 2.220 120 A HA 0.337 4.657 4.320 -0.000 0.000 0.211 120 A C 1.074 178.663 177.584 0.009 0.000 1.176 120 A CA 1.053 53.083 52.037 -0.012 0.000 0.834 120 A CB 0.359 19.105 19.000 -0.424 0.000 0.868 120 A HN 0.602 nan 8.150 nan 0.000 0.488 121 G N -1.047 107.749 108.800 -0.007 0.000 3.382 121 G HA2 0.485 4.445 3.960 -0.000 0.000 0.183 121 G HA3 0.485 4.445 3.960 -0.000 0.000 0.183 121 G C 0.189 175.089 174.900 0.001 0.000 1.246 121 G CA 0.159 45.258 45.100 -0.002 0.000 0.828 121 G HN 0.753 nan 8.290 nan 0.000 0.728 122 A N 0.323 123.135 122.820 -0.013 0.000 2.565 122 A HA 0.470 4.790 4.320 -0.000 0.000 0.237 122 A C 0.930 178.491 177.584 -0.037 0.000 1.053 122 A CA 1.338 53.358 52.037 -0.027 0.000 0.755 122 A CB -0.304 18.680 19.000 -0.026 0.000 0.980 122 A HN 1.026 nan 8.150 nan 0.000 0.506 123 M N 0.984 120.523 119.600 -0.103 0.000 2.139 123 M HA 0.288 4.768 4.480 -0.000 0.000 0.343 123 M C 0.244 176.299 176.300 -0.408 0.000 0.886 123 M CA -0.194 55.011 55.300 -0.157 0.000 1.134 123 M CB 0.439 32.977 32.600 -0.102 0.000 2.064 123 M HN 0.650 nan 8.290 nan 0.000 0.699 124 R N 1.245 121.463 120.500 -0.470 0.000 2.673 124 R HA 0.829 5.168 4.340 -0.000 0.000 0.281 124 R C -1.717 174.507 176.300 -0.127 0.000 0.991 124 R CA -0.766 54.998 56.100 -0.559 0.000 0.896 124 R CB 1.772 31.321 30.300 -1.253 0.000 1.201 124 R HN 0.164 nan 8.270 nan 0.000 0.457 125 L N 2.306 123.554 121.223 0.042 0.000 2.319 125 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 125 L C -2.396 174.514 176.870 0.066 0.000 1.005 125 L CA -2.417 52.477 54.840 0.091 0.000 0.828 125 L CB 2.097 44.227 42.059 0.119 0.000 1.227 125 L HN 0.386 nan 8.230 nan 0.000 0.415 126 P HA 0.047 nan 4.420 nan 0.000 0.271 126 P C 0.617 177.626 177.300 -0.486 0.000 1.218 126 P CA -0.239 62.377 63.100 -0.806 0.000 0.780 126 P CB 1.073 31.746 31.700 -1.713 0.000 0.901 127 S N 2.730 118.269 115.700 -0.269 0.000 2.382 127 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 127 S C 1.282 175.915 174.600 0.056 0.000 1.027 127 S CA 1.057 59.311 58.200 0.090 0.000 0.991 127 S CB -1.447 61.897 63.200 0.241 0.000 0.823 127 S HN 0.510 nan 8.310 nan 0.000 0.469 128 F N 0.920 120.881 119.950 0.018 0.000 2.726 128 F HA 0.467 4.993 4.527 -0.000 0.000 0.296 128 F C 0.670 176.596 175.800 0.209 0.000 1.250 128 F CA -0.607 57.455 58.000 0.103 0.000 1.434 128 F CB -1.286 37.758 39.000 0.073 0.000 1.043 128 F HN 0.264 nan 8.300 nan 0.000 0.508 129 H N 0.606 119.530 119.070 -0.242 0.000 2.336 129 H HA 0.194 4.749 4.556 -0.000 0.000 0.230 129 H C -1.976 173.260 175.328 -0.153 0.000 1.426 129 H CA -2.094 53.824 56.048 -0.217 0.000 1.359 129 H CB 0.775 30.354 29.762 -0.305 0.000 1.555 129 H HN 0.049 nan 8.280 nan 0.000 0.512 130 P HA -0.264 nan 4.420 nan 0.000 0.213 130 P C 1.627 178.792 177.300 -0.225 0.000 1.176 130 P CA 1.221 64.241 63.100 -0.134 0.000 0.919 130 P CB 0.384 31.928 31.700 -0.259 0.000 0.791 131 L N -1.363 119.696 121.223 -0.274 0.000 1.976 131 L HA -0.269 4.071 4.340 -0.000 0.000 0.223 131 L C 2.411 179.171 176.870 -0.183 0.000 1.081 131 L CA 2.570 57.254 54.840 -0.260 0.000 0.784 131 L CB -1.936 39.982 42.059 -0.236 0.000 0.896 131 L HN 0.079 nan 8.230 nan 0.000 0.438 132 T N 0.028 114.491 114.554 -0.150 0.000 2.746 132 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 132 T C 1.986 176.636 174.700 -0.084 0.000 1.039 132 T CA 1.143 63.179 62.100 -0.106 0.000 1.142 132 T CB -0.280 68.539 68.868 -0.082 0.000 0.866 132 T HN 0.161 nan 8.240 nan 0.000 0.444 133 L N 0.678 121.851 121.223 -0.084 0.000 1.970 133 L HA -0.150 4.189 4.340 -0.000 0.000 0.212 133 L C 3.107 179.919 176.870 -0.097 0.000 1.071 133 L CA 1.559 56.336 54.840 -0.105 0.000 0.751 133 L CB -0.752 41.232 42.059 -0.124 0.000 0.889 133 L HN 0.276 nan 8.230 nan 0.000 0.432 134 A N -0.274 122.504 122.820 -0.070 0.000 1.908 134 A HA -0.261 4.058 4.320 -0.000 0.000 0.218 134 A C 2.152 179.723 177.584 -0.022 0.000 1.181 134 A CA 1.864 53.900 52.037 -0.003 0.000 0.627 134 A CB -0.823 18.179 19.000 0.002 0.000 0.818 134 A HN 0.374 nan 8.150 nan 0.000 0.445 135 L N 0.200 121.384 121.223 -0.064 0.000 2.043 135 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 135 L C 2.210 179.053 176.870 -0.045 0.000 1.075 135 L CA 1.879 56.685 54.840 -0.057 0.000 0.752 135 L CB -0.604 41.407 42.059 -0.080 0.000 0.891 135 L HN 0.464 nan 8.230 nan 0.000 0.432 136 I N -0.493 120.045 120.570 -0.053 0.000 2.226 136 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 136 I C 2.131 178.220 176.117 -0.046 0.000 1.100 136 I CA 1.362 62.633 61.300 -0.048 0.000 1.374 136 I CB -0.560 37.410 38.000 -0.050 0.000 1.057 136 I HN 0.333 nan 8.210 nan 0.000 0.413 137 D N 0.974 121.342 120.400 -0.052 0.000 2.077 137 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 137 D C 2.058 178.344 176.300 -0.023 0.000 0.986 137 D CA 1.244 55.216 54.000 -0.047 0.000 0.829 137 D CB -0.267 40.503 40.800 -0.050 0.000 0.983 137 D HN 0.249 nan 8.370 nan 0.000 0.453 138 K N 0.833 121.230 120.400 -0.005 0.000 2.089 138 K HA -0.157 4.162 4.320 -0.000 0.000 0.210 138 K C 2.003 178.598 176.600 -0.008 0.000 1.048 138 K CA 1.000 57.289 56.287 0.004 0.000 0.926 138 K CB -0.277 32.234 32.500 0.018 0.000 0.714 138 K HN 0.101 nan 8.250 nan 0.000 0.448 139 L N 0.509 121.722 121.223 -0.017 0.000 2.675 139 L HA 0.056 4.396 4.340 -0.000 0.000 0.238 139 L C 0.795 177.653 176.870 -0.020 0.000 1.155 139 L CA 0.462 55.290 54.840 -0.020 0.000 0.881 139 L CB -0.352 41.691 42.059 -0.026 0.000 1.008 139 L HN 0.585 nan 8.230 nan 0.000 0.443 140 G N 0.981 109.769 108.800 -0.020 0.000 2.314 140 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.292 140 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.292 140 G C -0.199 174.688 174.900 -0.021 0.000 1.059 140 G CA -0.106 44.982 45.100 -0.020 0.000 0.982 140 G HN 0.258 nan 8.290 nan 0.000 0.505 141 L N -0.411 120.797 121.223 -0.025 0.000 2.329 141 L HA 0.482 4.822 4.340 -0.000 0.000 0.279 141 L C 0.689 177.548 176.870 -0.018 0.000 1.014 141 L CA -1.040 53.787 54.840 -0.022 0.000 0.814 141 L CB 1.593 43.638 42.059 -0.025 0.000 1.257 141 L HN 0.094 nan 8.230 nan 0.000 0.424 142 K N 3.534 123.933 120.400 -0.002 0.000 2.322 142 K HA 0.324 4.644 4.320 -0.000 0.000 0.283 142 K C -0.406 176.216 176.600 0.038 0.000 1.042 142 K CA -0.414 55.881 56.287 0.014 0.000 0.958 142 K CB 0.688 33.208 32.500 0.034 0.000 0.984 142 K HN 0.529 nan 8.250 nan 0.000 0.473 143 R N 2.825 123.348 120.500 0.039 0.000 2.388 143 R HA 0.352 4.692 4.340 -0.000 0.000 0.314 143 R C -0.671 175.795 176.300 0.278 0.000 0.959 143 R CA -0.862 55.307 56.100 0.115 0.000 0.851 143 R CB 1.165 31.483 30.300 0.030 0.000 1.168 143 R HN 0.441 nan 8.270 nan 0.000 0.472 144 R N 1.504 122.180 120.500 0.294 0.000 2.577 144 R HA 0.251 4.590 4.340 -0.000 0.000 0.269 144 R C -0.238 176.252 176.300 0.317 0.000 1.084 144 R CA -0.955 55.329 56.100 0.307 0.000 1.163 144 R CB 0.564 30.957 30.300 0.154 0.000 1.100 144 R HN 0.359 nan 8.270 nan 0.000 0.547 145 L N 2.136 123.382 121.223 0.039 0.000 2.360 145 L HA 0.169 4.508 4.340 -0.000 0.000 0.276 145 L C -0.848 175.643 176.870 -0.630 0.000 1.121 145 L CA 0.304 54.868 54.840 -0.459 0.000 0.845 145 L CB 0.159 41.966 42.059 -0.420 0.000 1.143 145 L HN 0.384 nan 8.230 nan 0.000 0.452 146 F N 5.771 125.386 119.950 -0.558 0.000 2.391 146 F HA 0.403 4.930 4.527 -0.000 0.000 0.359 146 F C -0.498 175.111 175.800 -0.319 0.000 1.122 146 F CA -0.573 57.192 58.000 -0.392 0.000 1.120 146 F CB 0.294 39.217 39.000 -0.129 0.000 1.142 146 F HN 0.327 nan 8.300 nan 0.000 0.483 147 F N 6.342 125.939 119.950 -0.588 0.000 2.423 147 F HA 0.141 4.668 4.527 -0.000 0.000 0.356 147 F C 1.286 176.766 175.800 -0.534 0.000 1.170 147 F CA -0.496 57.250 58.000 -0.425 0.000 1.163 147 F CB 0.185 38.990 39.000 -0.326 0.000 1.318 147 F HN 0.566 nan 8.300 nan 0.000 0.569 148 N N 1.752 120.425 118.700 -0.045 0.000 2.396 148 N HA -0.055 4.685 4.740 -0.000 0.000 0.180 148 N C -0.238 175.259 175.510 -0.021 0.000 1.028 148 N CA 0.627 53.659 53.050 -0.030 0.000 0.893 148 N CB 0.344 38.810 38.487 -0.034 0.000 0.967 148 N HN 0.223 nan 8.380 nan 0.000 0.440 149 V N 1.583 121.498 119.914 0.001 0.000 2.735 149 V HA 0.147 4.267 4.120 -0.000 0.000 0.310 149 V C -0.736 175.316 176.094 -0.070 0.000 1.061 149 V CA -1.301 60.988 62.300 -0.019 0.000 0.913 149 V CB 1.909 33.733 31.823 0.003 0.000 1.005 149 V HN 0.237 nan 8.190 nan 0.000 0.428 150 D N 3.676 124.023 120.400 -0.089 0.000 2.478 150 D HA 0.155 4.795 4.640 -0.000 0.000 0.234 150 D C -0.359 175.815 176.300 -0.209 0.000 1.154 150 D CA 0.160 54.075 54.000 -0.143 0.000 0.874 150 D CB 1.342 42.073 40.800 -0.114 0.000 1.198 150 D HN 0.372 nan 8.370 nan 0.000 0.455 151 I N -2.617 117.751 120.570 -0.336 0.000 3.108 151 I HA 0.384 4.554 4.170 -0.000 0.000 0.312 151 I C -0.619 175.307 176.117 -0.319 0.000 1.095 151 I CA -1.370 59.695 61.300 -0.391 0.000 1.000 151 I CB 1.457 39.017 38.000 -0.733 0.000 1.229 151 I HN 0.111 nan 8.210 nan 0.000 0.454 152 D N 4.240 124.483 120.400 -0.263 0.000 2.422 152 D HA 0.327 4.967 4.640 -0.000 0.000 0.227 152 D C -1.647 174.525 176.300 -0.214 0.000 1.190 152 D CA -2.427 51.449 54.000 -0.207 0.000 0.905 152 D CB 0.953 41.660 40.800 -0.155 0.000 1.034 152 D HN 0.403 nan 8.370 nan 0.000 0.507 153 P HA -0.150 nan 4.420 nan 0.000 0.231 153 P C 0.241 177.472 177.300 -0.115 0.000 1.154 153 P CA 0.735 63.735 63.100 -0.167 0.000 0.762 153 P CB 0.392 32.013 31.700 -0.132 0.000 0.790 154 Q N 0.215 119.948 119.800 -0.111 0.000 2.225 154 Q HA 0.165 4.505 4.340 -0.000 0.000 0.259 154 Q C 0.643 176.594 176.000 -0.082 0.000 0.872 154 Q CA 0.257 56.010 55.803 -0.083 0.000 1.042 154 Q CB 0.598 29.291 28.738 -0.074 0.000 1.142 154 Q HN 0.316 nan 8.270 nan 0.000 0.463 155 T N -4.321 110.174 114.554 -0.098 0.000 2.883 155 T HA 0.757 5.106 4.350 -0.000 0.000 0.296 155 T C 0.270 174.911 174.700 -0.098 0.000 1.117 155 T CA -0.300 61.745 62.100 -0.091 0.000 1.006 155 T CB 2.439 71.249 68.868 -0.095 0.000 1.191 155 T HN 0.313 nan 8.240 nan 0.000 0.508 156 G N 1.202 109.947 108.800 -0.091 0.000 2.825 156 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.684 156 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.684 156 G C -0.665 174.155 174.900 -0.135 0.000 1.528 156 G CA -0.290 44.740 45.100 -0.115 0.000 0.963 156 G HN 1.250 nan 8.290 nan 0.000 0.577 157 N N 0.340 118.923 118.700 -0.194 0.000 2.524 157 N HA 0.454 5.194 4.740 -0.000 0.000 0.261 157 N C 0.883 176.166 175.510 -0.379 0.000 0.998 157 N CA -0.449 52.489 53.050 -0.186 0.000 0.915 157 N CB 1.192 39.618 38.487 -0.102 0.000 1.187 157 N HN 0.585 nan 8.380 nan 0.000 0.507 158 Q N 1.366 121.002 119.800 -0.273 0.000 2.356 158 Q HA 0.079 4.419 4.340 -0.000 0.000 0.205 158 Q C -0.124 175.935 176.000 0.099 0.000 0.901 158 Q CA 0.354 56.000 55.803 -0.262 0.000 0.938 158 Q CB 0.535 29.257 28.738 -0.027 0.000 1.081 158 Q HN 0.622 nan 8.270 nan 0.000 0.517 159 D N 1.223 121.661 120.400 0.063 0.000 2.347 159 D HA 0.029 4.669 4.640 -0.000 0.000 0.215 159 D C 0.298 176.695 176.300 0.162 0.000 0.976 159 D CA 0.183 54.252 54.000 0.115 0.000 0.884 159 D CB 0.232 41.071 40.800 0.065 0.000 0.915 159 D HN 0.227 nan 8.370 nan 0.000 0.526 160 A N 1.059 124.001 122.820 0.204 0.000 2.406 160 A HA 0.367 4.686 4.320 -0.000 0.000 0.243 160 A C -2.178 175.599 177.584 0.321 0.000 1.082 160 A CA -0.987 51.197 52.037 0.246 0.000 0.786 160 A CB -0.093 19.068 19.000 0.268 0.000 1.029 160 A HN -0.050 nan 8.150 nan 0.000 0.495 161 P HA 0.177 nan 4.420 nan 0.000 0.268 161 P C -0.436 176.872 177.300 0.014 0.000 1.204 161 P CA -0.140 63.017 63.100 0.095 0.000 0.768 161 P CB 0.412 32.139 31.700 0.044 0.000 0.842 162 V N 6.590 126.426 119.914 -0.130 0.000 2.694 162 V HA -0.023 4.097 4.120 -0.000 0.000 0.306 162 V C -1.679 174.150 176.094 -0.441 0.000 1.054 162 V CA -0.609 61.399 62.300 -0.487 0.000 1.161 162 V CB -0.461 31.119 31.823 -0.405 0.000 0.916 162 V HN 0.615 nan 8.190 nan 0.000 0.490 163 P HA 0.184 nan 4.420 nan 0.000 0.269 163 P C -2.425 174.722 177.300 -0.255 0.000 1.215 163 P CA -0.784 62.151 63.100 -0.275 0.000 0.780 163 P CB 0.005 31.599 31.700 -0.177 0.000 0.898 164 P HA 0.105 nan 4.420 nan 0.000 0.278 164 P C -0.675 176.628 177.300 0.005 0.000 1.258 164 P CA -0.219 62.834 63.100 -0.078 0.000 0.811 164 P CB 0.659 32.342 31.700 -0.028 0.000 1.063 165 V N 1.974 121.918 119.914 0.050 0.000 2.763 165 V HA 0.068 4.188 4.120 -0.000 0.000 0.306 165 V C 0.259 176.564 176.094 0.351 0.000 1.059 165 V CA 0.774 63.173 62.300 0.164 0.000 1.138 165 V CB -0.768 31.176 31.823 0.202 0.000 0.940 165 V HN 0.508 nan 8.190 nan 0.000 0.489 166 F N 5.351 125.425 119.950 0.207 0.000 2.574 166 F HA 0.623 5.150 4.527 -0.000 0.000 0.313 166 F C -1.181 174.810 175.800 0.318 0.000 1.130 166 F CA -0.846 57.299 58.000 0.242 0.000 0.936 166 F CB 1.595 40.675 39.000 0.133 0.000 1.219 166 F HN 0.483 nan 8.300 nan 0.000 0.445 167 Y N 5.020 125.076 120.300 -0.407 0.000 2.477 167 Y HA 0.641 5.191 4.550 -0.000 0.000 0.347 167 Y C -1.631 174.061 175.900 -0.346 0.000 0.981 167 Y CA -1.288 56.702 58.100 -0.183 0.000 1.033 167 Y CB 1.807 40.227 38.460 -0.067 0.000 1.245 167 Y HN 0.587 nan 8.280 nan 0.000 0.455 168 K N 3.563 123.351 120.400 -1.020 0.000 2.426 168 K HA 0.448 4.768 4.320 -0.000 0.000 0.254 168 K C -1.017 174.948 176.600 -1.058 0.000 0.936 168 K CA -0.828 55.004 56.287 -0.759 0.000 0.801 168 K CB 2.003 34.388 32.500 -0.193 0.000 1.139 168 K HN 0.638 nan 8.250 nan 0.000 0.424 169 S N 1.981 117.247 115.700 -0.723 0.000 2.610 169 S HA 0.206 4.675 4.470 -0.000 0.000 0.273 169 S C 0.938 175.375 174.600 -0.272 0.000 1.274 169 S CA -0.745 57.210 58.200 -0.409 0.000 1.023 169 S CB 0.293 63.322 63.200 -0.285 0.000 0.962 169 S HN 0.538 nan 8.310 nan 0.000 0.523 170 F N 1.597 121.462 119.950 -0.141 0.000 2.641 170 F HA 0.414 4.941 4.527 -0.000 0.000 0.298 170 F C 0.764 176.486 175.800 -0.131 0.000 1.146 170 F CA -0.085 57.764 58.000 -0.252 0.000 1.464 170 F CB -0.096 38.596 39.000 -0.513 0.000 1.101 170 F HN 0.155 nan 8.300 nan 0.000 0.585 171 K N 2.567 122.499 120.400 -0.779 0.000 2.262 171 K HA 0.066 4.386 4.320 -0.000 0.000 0.282 171 K C -0.648 175.786 176.600 -0.277 0.000 1.066 171 K CA -0.419 55.535 56.287 -0.556 0.000 0.901 171 K CB 0.372 32.497 32.500 -0.626 0.000 1.089 171 K HN 0.277 nan 8.250 nan 0.000 0.476 172 D N 1.983 122.281 120.400 -0.170 0.000 8.133 172 D HA -0.169 4.471 4.640 -0.000 0.000 0.154 172 D C 0.876 177.116 176.300 -0.101 0.000 1.258 172 D CA 1.419 55.355 54.000 -0.106 0.000 0.886 172 D CB -0.660 40.089 40.800 -0.085 0.000 1.696 172 D HN 0.799 nan 8.370 nan 0.000 0.965 173 G N 1.526 110.272 108.800 -0.090 0.000 2.422 173 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.301 173 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.301 173 G C 0.169 175.021 174.900 -0.079 0.000 0.981 173 G CA 0.384 45.442 45.100 -0.069 0.000 0.994 173 G HN 0.541 nan 8.290 nan 0.000 0.514 174 K N -0.438 119.888 120.400 -0.123 0.000 2.123 174 K HA 0.740 5.060 4.320 -0.000 0.000 0.248 174 K C 0.856 177.366 176.600 -0.150 0.000 0.969 174 K CA -0.003 56.217 56.287 -0.112 0.000 0.882 174 K CB 1.451 33.882 32.500 -0.116 0.000 1.080 174 K HN 0.384 nan 8.250 nan 0.000 0.441 175 T N -2.722 111.757 114.554 -0.124 0.000 2.565 175 T HA 0.576 4.926 4.350 -0.000 0.000 0.253 175 T C -1.712 172.969 174.700 -0.032 0.000 0.868 175 T CA -0.914 61.045 62.100 -0.234 0.000 1.213 175 T CB 0.847 69.496 68.868 -0.365 0.000 1.518 175 T HN 0.791 nan 8.240 nan 0.000 0.474 176 W N 0.339 121.403 121.300 -0.393 0.000 4.173 176 W HA 0.440 5.099 4.660 -0.000 0.000 0.256 176 W C -1.629 174.742 176.519 -0.246 0.000 1.290 176 W CA 0.274 57.499 57.345 -0.200 0.000 1.265 176 W CB 0.549 29.981 29.460 -0.047 0.000 1.184 176 W HN 1.155 nan 8.180 nan 0.000 0.560 177 T N 1.738 115.900 114.554 -0.653 0.000 2.864 177 T HA 0.349 4.699 4.350 -0.000 0.000 0.299 177 T C -0.200 174.035 174.700 -0.775 0.000 1.166 177 T CA -0.671 61.221 62.100 -0.347 0.000 1.007 177 T CB 1.978 70.818 68.868 -0.046 0.000 1.219 177 T HN 0.438 nan 8.240 nan 0.000 0.506 178 N N 0.114 118.674 118.700 -0.235 0.000 2.416 178 N HA 0.310 5.050 4.740 -0.000 0.000 0.177 178 N C 0.916 176.323 175.510 -0.172 0.000 1.036 178 N CA 1.382 54.337 53.050 -0.159 0.000 0.901 178 N CB 0.278 38.786 38.487 0.035 0.000 0.976 178 N HN 1.062 nan 8.380 nan 0.000 0.444 179 G N -1.116 107.600 108.800 -0.140 0.000 2.404 179 G HA2 0.394 4.353 3.960 -0.000 0.000 0.253 179 G HA3 0.394 4.353 3.960 -0.000 0.000 0.253 179 G C -1.678 173.187 174.900 -0.058 0.000 1.253 179 G CA -0.200 44.837 45.100 -0.105 0.000 0.917 179 G HN 0.220 nan 8.290 nan 0.000 0.480 180 A N 0.996 123.787 122.820 -0.047 0.000 2.450 180 A HA 0.677 4.997 4.320 -0.000 0.000 0.255 180 A C -1.489 176.083 177.584 -0.021 0.000 1.096 180 A CA -0.398 51.621 52.037 -0.029 0.000 0.778 180 A CB -0.614 18.370 19.000 -0.025 0.000 1.031 180 A HN 0.458 nan 8.150 nan 0.000 0.494 181 P HA 0.106 nan 4.420 nan 0.000 0.272 181 P C -0.044 177.258 177.300 0.004 0.000 1.243 181 P CA 0.181 63.276 63.100 -0.008 0.000 0.803 181 P CB 0.396 32.089 31.700 -0.011 0.000 0.974 182 S N 0.496 116.212 115.700 0.026 0.000 2.486 182 S HA 0.180 4.650 4.470 -0.000 0.000 0.144 182 S C -1.937 172.731 174.600 0.114 0.000 1.542 182 S CA -0.539 57.700 58.200 0.066 0.000 1.262 182 S CB 0.563 63.804 63.200 0.070 0.000 1.462 182 S HN 0.455 nan 8.310 nan 0.000 0.381 183 P HA -0.098 nan 4.420 nan 0.000 0.234 183 P C 0.817 178.176 177.300 0.098 0.000 1.162 183 P CA 0.837 63.986 63.100 0.082 0.000 0.759 183 P CB 0.398 32.125 31.700 0.045 0.000 0.813 184 E N -0.538 119.731 120.200 0.116 0.000 2.158 184 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 184 E C 0.548 177.231 176.600 0.139 0.000 0.982 184 E CA 0.060 56.523 56.400 0.105 0.000 0.823 184 E CB -0.482 29.277 29.700 0.099 0.000 0.766 184 E HN 0.329 nan 8.360 nan 0.000 0.468 185 F N 1.827 121.812 119.950 0.059 0.000 2.495 185 F HA 0.132 4.659 4.527 -0.000 0.000 0.365 185 F C 0.351 176.204 175.800 0.088 0.000 1.090 185 F CA 0.375 58.427 58.000 0.086 0.000 1.235 185 F CB 0.468 39.536 39.000 0.114 0.000 1.119 185 F HN -0.347 nan 8.300 nan 0.000 0.562 186 K N 6.222 126.450 120.400 -0.286 0.000 2.553 186 K HA 0.197 4.516 4.320 -0.000 0.000 0.250 186 K C -1.228 175.220 176.600 -0.253 0.000 0.953 186 K CA -0.744 55.475 56.287 -0.114 0.000 0.800 186 K CB 1.260 33.730 32.500 -0.050 0.000 1.243 186 K HN 0.737 nan 8.250 nan 0.000 0.435 187 E N 3.953 124.118 120.200 -0.059 0.000 2.384 187 E HA 0.169 4.519 4.350 -0.000 0.000 0.266 187 E C -2.330 174.246 176.600 -0.042 0.000 1.012 187 E CA -1.875 54.516 56.400 -0.016 0.000 0.901 187 E CB -0.064 29.701 29.700 0.110 0.000 0.967 187 E HN 0.242 nan 8.360 nan 0.000 0.435 188 P HA -0.045 nan 4.420 nan 0.000 0.267 188 P C -0.972 176.253 177.300 -0.125 0.000 1.201 188 P CA 0.156 63.177 63.100 -0.132 0.000 0.775 188 P CB 0.401 31.949 31.700 -0.254 0.000 0.854 189 D N 0.905 121.232 120.400 -0.122 0.000 2.345 189 D HA 0.122 4.762 4.640 -0.000 0.000 0.247 189 D C 0.153 176.375 176.300 -0.130 0.000 1.108 189 D CA -0.028 53.914 54.000 -0.096 0.000 0.894 189 D CB 0.366 41.120 40.800 -0.077 0.000 1.203 189 D HN 0.266 nan 8.370 nan 0.000 0.430 190 K N 1.890 122.233 120.400 -0.097 0.000 2.234 190 K HA 0.552 4.872 4.320 -0.000 0.000 0.277 190 K C -0.347 176.204 176.600 -0.083 0.000 1.038 190 K CA -0.786 55.435 56.287 -0.109 0.000 0.888 190 K CB 1.470 33.928 32.500 -0.072 0.000 1.091 190 K HN 0.231 nan 8.250 nan 0.000 0.467 191 R N 1.691 122.132 120.500 -0.099 0.000 2.573 191 R HA 0.261 4.600 4.340 -0.000 0.000 0.272 191 R C 0.008 176.278 176.300 -0.050 0.000 1.009 191 R CA -0.814 55.249 56.100 -0.062 0.000 1.059 191 R CB 0.682 30.941 30.300 -0.069 0.000 1.112 191 R HN 0.616 nan 8.270 nan 0.000 0.517 192 N N 1.160 119.843 118.700 -0.029 0.000 2.806 192 N HA 0.028 4.767 4.740 -0.000 0.000 0.315 192 N C -0.366 175.089 175.510 -0.091 0.000 1.738 192 N CA -0.031 52.991 53.050 -0.046 0.000 0.993 192 N CB 0.524 38.996 38.487 -0.025 0.000 1.324 192 N HN 0.535 nan 8.380 nan 0.000 0.493 193 H N 0.728 119.674 119.070 -0.207 0.000 2.547 193 H HA 0.034 4.589 4.556 -0.000 0.000 0.274 193 H C 0.282 175.321 175.328 -0.482 0.000 1.024 193 H CA 0.518 56.376 56.048 -0.317 0.000 1.155 193 H CB 0.524 30.124 29.762 -0.270 0.000 1.344 193 H HN 0.297 nan 8.280 nan 0.000 0.598 194 T N -1.962 112.407 114.554 -0.309 0.000 2.847 194 T HA 0.181 4.531 4.350 -0.000 0.000 0.279 194 T C 0.103 174.593 174.700 -0.350 0.000 0.984 194 T CA -0.830 61.068 62.100 -0.337 0.000 0.988 194 T CB 1.172 69.975 68.868 -0.108 0.000 1.040 194 T HN 0.160 nan 8.240 nan 0.000 0.528 195 W N -0.339 120.948 121.300 -0.022 0.000 2.415 195 W HA 0.711 5.371 4.660 -0.000 0.000 0.355 195 W C -0.220 176.282 176.519 -0.029 0.000 1.161 195 W CA -1.094 56.232 57.345 -0.031 0.000 1.315 195 W CB 0.875 30.317 29.460 -0.031 0.000 1.261 195 W HN 0.441 nan 8.180 nan 0.000 0.636 196 I N 2.365 123.088 120.570 0.256 0.000 2.503 196 I HA 0.252 4.422 4.170 -0.000 0.000 0.282 196 I C -0.530 175.626 176.117 0.066 0.000 1.059 196 I CA -0.902 60.453 61.300 0.091 0.000 1.081 196 I CB 1.466 39.445 38.000 -0.034 0.000 1.210 196 I HN 0.382 nan 8.210 nan 0.000 0.450 197 R N 5.296 125.814 120.500 0.030 0.000 2.320 197 R HA 0.604 4.944 4.340 -0.000 0.000 0.319 197 R C -1.046 175.228 176.300 -0.043 0.000 0.969 197 R CA -0.159 55.919 56.100 -0.035 0.000 0.857 197 R CB 1.313 31.560 30.300 -0.087 0.000 1.160 197 R HN 0.689 nan 8.270 nan 0.000 0.491 198 T N 0.927 115.432 114.554 -0.083 0.000 2.909 198 T HA 0.307 4.657 4.350 -0.000 0.000 0.299 198 T C -0.366 174.175 174.700 -0.264 0.000 1.073 198 T CA -0.963 61.053 62.100 -0.141 0.000 0.999 198 T CB 1.370 70.186 68.868 -0.087 0.000 1.098 198 T HN 0.681 nan 8.240 nan 0.000 0.477 199 N N 2.267 120.794 118.700 -0.289 0.000 2.714 199 N HA -0.231 4.509 4.740 -0.000 0.000 0.253 199 N C 0.476 175.881 175.510 -0.174 0.000 1.024 199 N CA 0.785 53.672 53.050 -0.272 0.000 0.726 199 N CB -0.601 37.639 38.487 -0.411 0.000 0.908 199 N HN 0.840 nan 8.380 nan 0.000 0.542 200 R N -2.437 117.983 120.500 -0.133 0.000 3.997 200 R HA -0.223 4.116 4.340 -0.000 0.000 0.431 200 R C 0.344 176.581 176.300 -0.105 0.000 1.066 200 R CA 1.643 57.679 56.100 -0.106 0.000 1.382 200 R CB -1.416 28.831 30.300 -0.087 0.000 1.978 200 R HN 0.747 nan 8.270 nan 0.000 0.550 201 E N 0.971 121.103 120.200 -0.114 0.000 2.283 201 E HA 0.348 4.697 4.350 -0.000 0.000 0.271 201 E C -0.409 176.142 176.600 -0.082 0.000 1.031 201 E CA -0.270 56.077 56.400 -0.087 0.000 0.868 201 E CB 0.979 30.636 29.700 -0.072 0.000 1.094 201 E HN 0.155 nan 8.360 nan 0.000 0.401 202 Q N 2.489 122.253 119.800 -0.061 0.000 2.263 202 Q HA 0.451 4.791 4.340 -0.000 0.000 0.266 202 Q C -1.656 174.392 176.000 0.081 0.000 1.002 202 Q CA -0.618 55.159 55.803 -0.044 0.000 0.790 202 Q CB 1.804 30.417 28.738 -0.208 0.000 1.272 202 Q HN 0.400 nan 8.270 nan 0.000 0.435 203 V N 0.633 120.662 119.914 0.193 0.000 3.160 203 V HA 0.706 4.826 4.120 -0.000 0.000 0.310 203 V C -1.106 175.167 176.094 0.299 0.000 1.181 203 V CA -1.062 61.386 62.300 0.246 0.000 1.047 203 V CB 2.212 34.124 31.823 0.149 0.000 1.068 203 V HN 0.830 nan 8.190 nan 0.000 0.441 204 R N 0.588 121.157 120.500 0.115 0.000 2.528 204 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 204 R C 1.140 177.441 176.300 0.002 0.000 1.056 204 R CA -0.535 55.503 56.100 -0.104 0.000 1.117 204 R CB 0.959 31.037 30.300 -0.370 0.000 1.085 204 R HN 0.733 nan 8.270 nan 0.000 0.530 205 R N 0.722 121.206 120.500 -0.027 0.000 2.115 205 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 205 R C 2.058 178.396 176.300 0.063 0.000 1.111 205 R CA 1.559 57.699 56.100 0.067 0.000 0.976 205 R CB -0.259 30.063 30.300 0.036 0.000 0.870 205 R HN 0.672 nan 8.270 nan 0.000 0.445 206 A N 1.231 124.045 122.820 -0.009 0.000 1.877 206 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 206 A C 2.035 179.625 177.584 0.009 0.000 1.186 206 A CA 1.248 53.280 52.037 -0.009 0.000 0.620 206 A CB -0.352 18.627 19.000 -0.034 0.000 0.822 206 A HN 0.313 nan 8.150 nan 0.000 0.443 207 Q N -1.883 117.928 119.800 0.020 0.000 1.993 207 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 207 Q C 2.084 178.137 176.000 0.087 0.000 0.984 207 Q CA 1.751 57.581 55.803 0.044 0.000 0.837 207 Q CB -0.483 28.286 28.738 0.052 0.000 0.902 207 Q HN 0.754 nan 8.270 nan 0.000 0.423 208 Y N 1.322 121.630 120.300 0.014 0.000 2.228 208 Y HA -0.331 4.219 4.550 -0.000 0.000 0.285 208 Y C 2.092 178.004 175.900 0.021 0.000 1.178 208 Y CA 1.214 59.332 58.100 0.029 0.000 1.202 208 Y CB -0.605 37.881 38.460 0.043 0.000 0.974 208 Y HN 0.132 nan 8.280 nan 0.000 0.527 209 A N -0.451 122.318 122.820 -0.086 0.000 1.845 209 A HA -0.229 4.090 4.320 -0.000 0.000 0.215 209 A C 2.404 179.896 177.584 -0.154 0.000 1.195 209 A CA 2.978 54.920 52.037 -0.158 0.000 0.616 209 A CB -1.595 17.377 19.000 -0.048 0.000 0.832 209 A HN 0.592 nan 8.150 nan 0.000 0.443 210 T N -3.066 111.440 114.554 -0.080 0.000 2.821 210 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 210 T C 0.449 175.106 174.700 -0.073 0.000 1.046 210 T CA 1.534 63.597 62.100 -0.062 0.000 1.139 210 T CB -0.155 68.695 68.868 -0.029 0.000 0.871 210 T HN 0.324 nan 8.240 nan 0.000 0.454 211 D N 1.703 122.060 120.400 -0.072 0.000 2.364 211 D HA 0.313 4.953 4.640 -0.000 0.000 0.251 211 D C -2.103 174.174 176.300 -0.039 0.000 1.282 211 D CA -2.348 51.622 54.000 -0.049 0.000 0.927 211 D CB 1.799 42.599 40.800 0.000 0.000 1.267 211 D HN 0.028 nan 8.370 nan 0.000 0.531 212 P HA -0.067 nan 4.420 nan 0.000 0.230 212 P C 1.180 178.590 177.300 0.183 0.000 1.158 212 P CA 0.280 63.315 63.100 -0.109 0.000 0.769 212 P CB 0.523 31.982 31.700 -0.401 0.000 0.807 213 S N 0.749 116.501 115.700 0.086 0.000 2.389 213 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 213 S C 2.150 176.823 174.600 0.122 0.000 1.048 213 S CA 1.982 60.235 58.200 0.089 0.000 1.117 213 S CB -1.373 61.857 63.200 0.050 0.000 1.020 213 S HN 0.350 nan 8.310 nan 0.000 0.430 214 S N 1.821 117.592 115.700 0.119 0.000 2.460 214 S HA -0.231 4.238 4.470 -0.000 0.000 0.241 214 S C 1.965 176.632 174.600 0.111 0.000 1.051 214 S CA 2.192 60.455 58.200 0.104 0.000 1.223 214 S CB -0.852 62.411 63.200 0.105 0.000 1.160 214 S HN 0.591 nan 8.310 nan 0.000 0.424 215 I N 0.133 120.793 120.570 0.149 0.000 2.756 215 I HA -0.056 4.114 4.170 -0.000 0.000 0.262 215 I C 1.677 177.917 176.117 0.205 0.000 1.225 215 I CA 1.550 62.907 61.300 0.095 0.000 1.472 215 I CB -0.499 37.507 38.000 0.009 0.000 1.094 215 I HN 0.189 nan 8.210 nan 0.000 0.454 216 N N 1.814 120.687 118.700 0.289 0.000 2.216 216 N HA -0.137 4.602 4.740 -0.000 0.000 0.183 216 N C 1.698 177.361 175.510 0.256 0.000 1.017 216 N CA 1.473 54.719 53.050 0.327 0.000 0.861 216 N CB -0.272 38.361 38.487 0.243 0.000 0.986 216 N HN 0.588 nan 8.380 nan 0.000 0.428 217 E N 0.135 120.433 120.200 0.164 0.000 2.153 217 E HA -0.060 4.289 4.350 -0.000 0.000 0.194 217 E C 1.936 178.620 176.600 0.140 0.000 0.988 217 E CA 0.827 57.304 56.400 0.128 0.000 0.811 217 E CB -0.220 29.525 29.700 0.075 0.000 0.746 217 E HN 0.389 nan 8.360 nan 0.000 0.466 218 G N 0.353 109.184 108.800 0.052 0.000 2.450 218 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 218 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 218 G C 1.038 175.825 174.900 -0.190 0.000 1.130 218 G CA 0.416 45.455 45.100 -0.102 0.000 0.760 218 G HN 0.193 nan 8.290 nan 0.000 0.557 219 F N -0.293 119.685 119.950 0.048 0.000 2.732 219 F HA 0.282 4.809 4.527 -0.000 0.000 0.303 219 F C 1.156 177.000 175.800 0.072 0.000 1.110 219 F CA 0.265 58.260 58.000 -0.009 0.000 1.355 219 F CB -0.206 38.790 39.000 -0.006 0.000 1.081 219 F HN 0.327 nan 8.300 nan 0.000 0.565 220 H N -0.800 118.340 119.070 0.117 0.000 2.941 220 H HA -0.136 4.420 4.556 -0.000 0.000 0.279 220 H C 0.117 175.491 175.328 0.076 0.000 1.247 220 H CA -0.449 55.645 56.048 0.075 0.000 1.129 220 H CB -1.711 28.087 29.762 0.060 0.000 1.313 220 H HN 0.125 nan 8.280 nan 0.000 0.384 221 L N 2.406 123.749 121.223 0.199 0.000 2.410 221 L HA 0.143 4.483 4.340 -0.000 0.000 0.273 221 L C 1.147 178.059 176.870 0.070 0.000 1.144 221 L CA 0.537 55.443 54.840 0.110 0.000 0.863 221 L CB 0.723 42.835 42.059 0.089 0.000 1.140 221 L HN 0.203 nan 8.230 nan 0.000 0.463 222 T N 0.032 114.612 114.554 0.044 0.000 2.855 222 T HA 0.720 5.070 4.350 -0.000 0.000 0.281 222 T C 0.540 175.249 174.700 0.015 0.000 1.007 222 T CA 0.018 62.132 62.100 0.022 0.000 1.009 222 T CB 2.080 70.956 68.868 0.013 0.000 0.983 222 T HN 0.955 nan 8.240 nan 0.000 0.455 223 G N 0.862 109.668 108.800 0.010 0.000 2.550 223 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.277 223 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.277 223 G C 1.314 176.218 174.900 0.007 0.000 1.190 223 G CA 0.119 45.224 45.100 0.007 0.000 0.971 223 G HN 1.154 nan 8.290 nan 0.000 0.559 224 C N 1.044 120.347 119.300 0.006 0.000 2.376 224 C HA -0.078 4.382 4.460 -0.000 0.000 0.275 224 C C 2.929 177.917 174.990 -0.002 0.000 1.200 224 C CA 2.398 61.419 59.018 0.005 0.000 1.756 224 C CB -1.763 25.983 27.740 0.010 0.000 2.050 224 C HN 0.724 nan 8.230 nan 0.000 0.460 225 E N -0.748 119.445 120.200 -0.011 0.000 2.130 225 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 225 E C 1.943 178.528 176.600 -0.025 0.000 0.998 225 E CA 1.829 58.203 56.400 -0.043 0.000 0.806 225 E CB -0.500 29.155 29.700 -0.074 0.000 0.738 225 E HN 0.662 nan 8.360 nan 0.000 0.459 226 T N 1.343 115.899 114.554 0.003 0.000 2.803 226 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 226 T C 1.335 176.046 174.700 0.018 0.000 1.052 226 T CA 1.050 63.167 62.100 0.028 0.000 1.136 226 T CB -0.131 68.757 68.868 0.033 0.000 0.864 226 T HN 0.186 nan 8.240 nan 0.000 0.467 227 R N 0.849 121.348 120.500 -0.001 0.000 2.752 227 R HA 0.436 4.776 4.340 -0.000 0.000 0.279 227 R C -0.458 175.822 176.300 -0.034 0.000 1.212 227 R CA 0.077 56.168 56.100 -0.015 0.000 1.169 227 R CB -0.223 30.071 30.300 -0.010 0.000 1.286 227 R HN 0.327 nan 8.270 nan 0.000 0.564 228 L N -0.114 121.084 121.223 -0.043 0.000 2.466 228 L HA 0.286 4.625 4.340 -0.000 0.000 0.258 228 L C 0.245 177.062 176.870 -0.088 0.000 0.973 228 L CA -0.985 53.819 54.840 -0.061 0.000 0.826 228 L CB 2.671 44.711 42.059 -0.032 0.000 1.372 228 L HN 0.079 nan 8.230 nan 0.000 0.409 229 T N -1.732 112.736 114.554 -0.143 0.000 2.868 229 T HA 0.213 4.563 4.350 -0.000 0.000 0.292 229 T C 1.392 176.108 174.700 0.025 0.000 1.028 229 T CA -0.350 61.643 62.100 -0.177 0.000 1.059 229 T CB 1.321 70.039 68.868 -0.251 0.000 0.991 229 T HN 0.442 nan 8.240 nan 0.000 0.531 230 V N 0.017 120.031 119.914 0.167 0.000 2.392 230 V HA -0.155 3.964 4.120 -0.000 0.000 0.249 230 V C 2.504 178.651 176.094 0.088 0.000 1.059 230 V CA 1.806 64.160 62.300 0.090 0.000 1.051 230 V CB -1.803 30.067 31.823 0.078 0.000 0.658 230 V HN 0.894 nan 8.190 nan 0.000 0.455 231 S N 1.068 116.832 115.700 0.107 0.000 2.378 231 S HA -0.254 4.216 4.470 -0.000 0.000 0.221 231 S C 1.768 176.424 174.600 0.093 0.000 1.037 231 S CA 1.973 60.231 58.200 0.097 0.000 1.069 231 S CB -0.752 62.499 63.200 0.085 0.000 1.006 231 S HN 0.723 nan 8.310 nan 0.000 0.423 232 D N 1.283 121.722 120.400 0.065 0.000 2.172 232 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 232 D C 1.871 178.236 176.300 0.108 0.000 0.999 232 D CA 1.145 55.185 54.000 0.066 0.000 0.856 232 D CB -0.393 40.425 40.800 0.029 0.000 0.934 232 D HN 0.393 nan 8.370 nan 0.000 0.453 233 M N 0.264 119.925 119.600 0.102 0.000 2.144 233 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 233 M C 2.368 178.891 176.300 0.371 0.000 1.067 233 M CA 1.058 56.461 55.300 0.171 0.000 1.095 233 M CB -0.163 32.409 32.600 -0.046 0.000 1.365 233 M HN -0.078 nan 8.290 nan 0.000 0.406 234 V N 0.485 120.564 119.914 0.275 0.000 2.379 234 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 234 V C 1.802 178.031 176.094 0.225 0.000 1.044 234 V CA 1.705 64.185 62.300 0.299 0.000 1.036 234 V CB -0.893 31.063 31.823 0.223 0.000 0.664 234 V HN 0.434 nan 8.190 nan 0.000 0.453 235 N N 0.394 119.193 118.700 0.164 0.000 2.084 235 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 235 N C 1.849 177.430 175.510 0.119 0.000 1.030 235 N CA 1.453 54.579 53.050 0.127 0.000 0.849 235 N CB -0.505 38.038 38.487 0.092 0.000 1.012 235 N HN 0.477 nan 8.380 nan 0.000 0.423 236 Q N 0.336 120.212 119.800 0.126 0.000 2.112 236 Q HA -0.026 4.314 4.340 -0.000 0.000 0.206 236 Q C 1.779 177.825 176.000 0.077 0.000 0.987 236 Q CA 1.939 57.803 55.803 0.101 0.000 0.858 236 Q CB -0.361 28.456 28.738 0.131 0.000 0.905 236 Q HN 0.462 nan 8.270 nan 0.000 0.420 237 A N -0.669 122.210 122.820 0.099 0.000 2.066 237 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 237 A C 1.794 179.452 177.584 0.124 0.000 1.157 237 A CA 0.872 52.906 52.037 -0.004 0.000 0.670 237 A CB -0.302 18.628 19.000 -0.117 0.000 0.804 237 A HN 0.422 nan 8.150 nan 0.000 0.453 238 L N -1.064 120.246 121.223 0.146 0.000 2.354 238 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 238 L C 2.202 179.084 176.870 0.020 0.000 1.091 238 L CA 0.171 55.075 54.840 0.106 0.000 0.828 238 L CB -0.413 41.758 42.059 0.188 0.000 0.973 238 L HN 0.224 nan 8.230 nan 0.000 0.461 239 E N 0.998 121.218 120.200 0.033 0.000 2.068 239 E HA -0.236 4.114 4.350 -0.000 0.000 0.207 239 E C -0.441 176.141 176.600 -0.029 0.000 1.032 239 E CA 1.902 58.300 56.400 -0.004 0.000 0.839 239 E CB -1.918 27.786 29.700 0.008 0.000 0.758 239 E HN 0.389 nan 8.360 nan 0.000 0.457 240 P HA -0.136 nan 4.420 nan 0.000 0.217 240 P C 1.750 179.085 177.300 0.059 0.000 1.148 240 P CA 1.314 64.455 63.100 0.068 0.000 0.834 240 P CB -0.021 31.773 31.700 0.157 0.000 0.783 241 V N 0.514 120.326 119.914 -0.171 0.000 2.379 241 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 241 V C 2.796 178.660 176.094 -0.384 0.000 1.035 241 V CA 1.402 63.399 62.300 -0.504 0.000 1.035 241 V CB -1.085 30.057 31.823 -1.135 0.000 0.673 241 V HN 0.017 nan 8.190 nan 0.000 0.457 242 R N 0.300 120.608 120.500 -0.321 0.000 2.211 242 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 242 R C 1.833 177.711 176.300 -0.704 0.000 1.144 242 R CA 1.573 57.309 56.100 -0.607 0.000 0.992 242 R CB -0.394 29.744 30.300 -0.269 0.000 0.869 242 R HN 0.501 nan 8.270 nan 0.000 0.462 243 D N -0.317 119.916 120.400 -0.278 0.000 2.219 243 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 243 D C 1.443 177.692 176.300 -0.084 0.000 0.970 243 D CA 0.983 54.895 54.000 -0.147 0.000 0.851 243 D CB -0.156 40.624 40.800 -0.033 0.000 0.943 243 D HN 0.323 nan 8.370 nan 0.000 0.488 244 Y N -0.473 119.656 120.300 -0.285 0.000 2.128 244 Y HA -0.308 4.241 4.550 -0.000 0.000 0.284 244 Y C 2.175 178.006 175.900 -0.116 0.000 1.154 244 Y CA 1.416 59.419 58.100 -0.161 0.000 1.149 244 Y CB -0.139 38.248 38.460 -0.121 0.000 0.976 244 Y HN 0.187 nan 8.280 nan 0.000 0.505 245 Y N -2.047 118.223 120.300 -0.049 0.000 2.522 245 Y HA 0.337 4.887 4.550 -0.000 0.000 0.277 245 Y C 0.989 176.982 175.900 0.155 0.000 1.104 245 Y CA -0.216 57.860 58.100 -0.039 0.000 1.260 245 Y CB -0.537 37.642 38.460 -0.470 0.000 1.151 245 Y HN -0.102 nan 8.280 nan 0.000 0.539 246 S N 0.234 115.804 115.700 -0.216 0.000 2.801 246 S HA 0.730 5.199 4.470 -0.000 0.000 0.312 246 S C -1.002 173.565 174.600 -0.056 0.000 1.112 246 S CA -0.536 57.666 58.200 0.003 0.000 0.943 246 S CB 1.744 64.953 63.200 0.015 0.000 1.269 246 S HN 0.192 nan 8.310 nan 0.000 0.558 247 V N 0.817 120.729 119.914 -0.003 0.000 2.686 247 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 247 V C -0.411 175.679 176.094 -0.006 0.000 1.065 247 V CA -0.962 61.332 62.300 -0.010 0.000 0.894 247 V CB 1.767 33.599 31.823 0.016 0.000 1.004 247 V HN 1.039 nan 8.190 nan 0.000 0.424 248 K N 3.990 124.380 120.400 -0.016 0.000 2.440 248 K HA 0.143 4.463 4.320 -0.000 0.000 0.270 248 K C -0.600 176.004 176.600 0.005 0.000 0.980 248 K CA 0.159 56.443 56.287 -0.006 0.000 0.953 248 K CB 0.560 33.055 32.500 -0.009 0.000 0.925 248 K HN 0.687 nan 8.250 nan 0.000 0.497 249 Q N 2.126 121.932 119.800 0.010 0.000 2.340 249 Q HA 0.132 4.472 4.340 -0.000 0.000 0.268 249 Q C -0.218 175.789 176.000 0.011 0.000 1.031 249 Q CA -0.318 55.493 55.803 0.013 0.000 0.804 249 Q CB 1.889 30.638 28.738 0.018 0.000 1.286 249 Q HN 0.673 nan 8.270 nan 0.000 0.448 250 D N 1.969 122.375 120.400 0.009 0.000 2.170 250 D HA -0.230 4.410 4.640 -0.000 0.000 0.193 250 D C 0.450 176.755 176.300 0.009 0.000 1.004 250 D CA 2.047 56.052 54.000 0.008 0.000 0.860 250 D CB 0.187 40.991 40.800 0.007 0.000 0.931 250 D HN 0.761 nan 8.370 nan 0.000 0.448 251 D N -0.921 119.485 120.400 0.010 0.000 2.378 251 D HA 0.064 4.704 4.640 -0.000 0.000 0.222 251 D C 1.273 177.580 176.300 0.012 0.000 0.980 251 D CA 1.004 55.011 54.000 0.011 0.000 0.907 251 D CB -0.448 40.359 40.800 0.012 0.000 0.899 251 D HN 0.262 nan 8.370 nan 0.000 0.527 252 G N -0.359 108.449 108.800 0.013 0.000 2.203 252 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.231 252 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.231 252 G C 0.251 175.161 174.900 0.018 0.000 1.058 252 G CA 0.315 45.424 45.100 0.014 0.000 0.781 252 G HN 0.828 nan 8.290 nan 0.000 0.496 253 T N -3.258 111.308 114.554 0.020 0.000 2.669 253 T HA 0.870 5.220 4.350 -0.000 0.000 0.283 253 T C -0.300 174.417 174.700 0.028 0.000 1.019 253 T CA -0.874 61.242 62.100 0.026 0.000 1.039 253 T CB 2.312 71.196 68.868 0.028 0.000 1.374 253 T HN 0.520 nan 8.240 nan 0.000 0.523 254 R N -0.801 119.723 120.500 0.040 0.000 2.626 254 R HA 0.737 5.076 4.340 -0.000 0.000 0.274 254 R C -1.969 174.373 176.300 0.070 0.000 1.031 254 R CA -0.873 55.256 56.100 0.048 0.000 0.898 254 R CB 2.631 32.962 30.300 0.051 0.000 1.222 254 R HN 0.553 nan 8.270 nan 0.000 0.455 255 V N 3.771 123.727 119.914 0.071 0.000 2.577 255 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 255 V C -0.910 175.251 176.094 0.113 0.000 1.042 255 V CA -0.921 61.426 62.300 0.079 0.000 0.872 255 V CB 1.910 33.763 31.823 0.050 0.000 0.998 255 V HN 0.744 nan 8.190 nan 0.000 0.423 256 N N 5.345 124.133 118.700 0.147 0.000 2.345 256 N HA 0.061 4.801 4.740 -0.000 0.000 0.243 256 N C -0.114 175.495 175.510 0.165 0.000 1.246 256 N CA 0.239 53.431 53.050 0.237 0.000 0.863 256 N CB 0.632 39.145 38.487 0.045 0.000 1.096 256 N HN 0.653 nan 8.380 nan 0.000 0.446 257 K N 1.376 121.934 120.400 0.264 0.000 2.156 257 K HA 0.155 4.475 4.320 -0.000 0.000 0.242 257 K C -2.202 174.524 176.600 0.211 0.000 1.033 257 K CA -0.962 55.449 56.287 0.206 0.000 0.878 257 K CB -0.304 32.327 32.500 0.218 0.000 1.057 257 K HN 0.295 nan 8.250 nan 0.000 0.505 258 P HA -0.066 nan 4.420 nan 0.000 0.265 258 P C 0.149 177.653 177.300 0.340 0.000 1.222 258 P CA 0.209 63.439 63.100 0.216 0.000 0.767 258 P CB 0.106 31.910 31.700 0.173 0.000 0.801 259 F N 5.008 125.100 119.950 0.235 0.000 2.198 259 F HA -0.463 4.064 4.527 -0.000 0.000 0.263 259 F C 2.306 178.342 175.800 0.393 0.000 1.113 259 F CA 2.572 60.806 58.000 0.389 0.000 1.493 259 F CB -0.406 38.786 39.000 0.321 0.000 0.848 259 F HN 0.280 nan 8.300 nan 0.000 0.488 260 K N -0.512 120.236 120.400 0.580 0.000 2.107 260 K HA -0.302 4.018 4.320 -0.000 0.000 0.211 260 K C 1.818 178.523 176.600 0.176 0.000 1.049 260 K CA 2.315 58.824 56.287 0.369 0.000 0.927 260 K CB -0.238 32.449 32.500 0.310 0.000 0.714 260 K HN 0.478 nan 8.250 nan 0.000 0.452 261 E N -0.809 119.510 120.200 0.199 0.000 2.122 261 E HA -0.123 4.226 4.350 -0.000 0.000 0.190 261 E C 1.225 177.951 176.600 0.209 0.000 0.977 261 E CA 0.913 57.411 56.400 0.164 0.000 0.820 261 E CB -0.325 29.469 29.700 0.156 0.000 0.770 261 E HN 0.481 nan 8.360 nan 0.000 0.462 262 W N 0.531 121.866 121.300 0.058 0.000 2.468 262 W HA -0.088 4.572 4.660 -0.000 0.000 0.262 262 W C 1.405 177.977 176.519 0.088 0.000 1.241 262 W CA 0.848 58.267 57.345 0.122 0.000 1.232 262 W CB 0.054 29.574 29.460 0.101 0.000 1.124 262 W HN 0.153 nan 8.180 nan 0.000 0.597 263 L N 0.944 122.076 121.223 -0.152 0.000 2.189 263 L HA 0.288 4.627 4.340 -0.000 0.000 0.199 263 L C 2.562 179.359 176.870 -0.121 0.000 1.074 263 L CA 2.127 56.730 54.840 -0.395 0.000 0.783 263 L CB -1.371 40.400 42.059 -0.479 0.000 0.955 263 L HN -0.077 nan 8.230 nan 0.000 0.460 264 A N -0.410 122.398 122.820 -0.020 0.000 2.019 264 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 264 A C 2.188 179.816 177.584 0.073 0.000 1.164 264 A CA 1.520 53.580 52.037 0.037 0.000 0.644 264 A CB -1.467 17.562 19.000 0.048 0.000 0.805 264 A HN 0.546 nan 8.150 nan 0.000 0.449 265 G N -1.380 107.478 108.800 0.096 0.000 2.434 265 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 265 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 265 G C 1.350 176.390 174.900 0.233 0.000 1.202 265 G CA 0.858 46.049 45.100 0.151 0.000 0.788 265 G HN 0.636 nan 8.290 nan 0.000 0.539 266 W N 1.192 122.525 121.300 0.055 0.000 2.342 266 W HA 0.020 4.680 4.660 -0.000 0.000 0.297 266 W C 3.050 179.603 176.519 0.057 0.000 1.213 266 W CA 1.299 58.651 57.345 0.013 0.000 1.251 266 W CB -0.035 29.247 29.460 -0.297 0.000 1.136 266 W HN 0.291 nan 8.180 nan 0.000 0.526 267 A N -0.208 122.751 122.820 0.231 0.000 1.972 267 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 267 A C 1.649 179.295 177.584 0.103 0.000 1.169 267 A CA 2.031 54.165 52.037 0.163 0.000 0.635 267 A CB -0.643 18.426 19.000 0.116 0.000 0.810 267 A HN 0.186 nan 8.150 nan 0.000 0.446 268 D N -0.380 120.109 120.400 0.148 0.000 2.162 268 D HA -0.056 4.584 4.640 -0.000 0.000 0.203 268 D C 2.062 178.488 176.300 0.211 0.000 0.967 268 D CA 1.195 55.281 54.000 0.144 0.000 0.840 268 D CB -0.251 40.681 40.800 0.220 0.000 0.972 268 D HN 0.220 nan 8.370 nan 0.000 0.482 269 V N 0.991 121.062 119.914 0.261 0.000 2.407 269 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 269 V C 2.623 178.920 176.094 0.338 0.000 1.055 269 V CA 0.966 63.331 62.300 0.107 0.000 1.049 269 V CB -0.333 31.519 31.823 0.049 0.000 0.662 269 V HN 0.053 nan 8.190 nan 0.000 0.455 270 V N -0.200 119.949 119.914 0.392 0.000 2.515 270 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 270 V C 2.517 178.684 176.094 0.120 0.000 1.058 270 V CA 2.164 64.687 62.300 0.372 0.000 1.064 270 V CB -0.709 31.256 31.823 0.237 0.000 0.675 270 V HN 0.490 nan 8.190 nan 0.000 0.461 271 R N -0.225 120.133 120.500 -0.237 0.000 2.119 271 R HA -0.113 4.226 4.340 -0.000 0.000 0.222 271 R C 1.764 177.913 176.300 -0.251 0.000 1.088 271 R CA 1.563 57.323 56.100 -0.567 0.000 0.984 271 R CB -0.037 29.669 30.300 -0.990 0.000 0.884 271 R HN 0.491 nan 8.270 nan 0.000 0.447 272 D N -0.813 119.413 120.400 -0.290 0.000 2.262 272 D HA -0.031 4.609 4.640 -0.000 0.000 0.212 272 D C 0.718 176.522 176.300 -0.825 0.000 0.964 272 D CA 0.963 54.608 54.000 -0.591 0.000 0.875 272 D CB 0.199 40.459 40.800 -0.900 0.000 0.996 272 D HN 0.237 nan 8.370 nan 0.000 0.497 273 F N 0.016 119.797 119.950 -0.283 0.000 2.654 273 F HA 0.205 4.732 4.527 -0.000 0.000 0.303 273 F C 1.465 177.321 175.800 0.093 0.000 1.099 273 F CA -0.438 57.298 58.000 -0.439 0.000 1.270 273 F CB 0.522 38.818 39.000 -1.174 0.000 1.024 273 F HN -0.258 nan 8.300 nan 0.000 0.548 274 D N 0.369 121.014 120.400 0.408 0.000 2.277 274 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 274 D C 2.401 178.913 176.300 0.353 0.000 0.962 274 D CA 1.064 55.354 54.000 0.484 0.000 0.865 274 D CB 0.006 41.011 40.800 0.341 0.000 0.939 274 D HN 0.237 nan 8.370 nan 0.000 0.510 275 G N -1.400 107.585 108.800 0.307 0.000 3.088 275 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.212 275 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.212 275 G C -0.342 174.676 174.900 0.196 0.000 1.173 275 G CA -0.142 45.085 45.100 0.212 0.000 0.779 275 G HN 0.145 nan 8.290 nan 0.000 0.540 276 Y N 1.385 121.767 120.300 0.135 0.000 2.342 276 Y HA 0.447 4.997 4.550 -0.000 0.000 0.334 276 Y C 0.917 176.952 175.900 0.225 0.000 1.067 276 Y CA -1.454 56.738 58.100 0.153 0.000 1.128 276 Y CB 1.622 40.144 38.460 0.103 0.000 1.200 276 Y HN 0.078 nan 8.280 nan 0.000 0.464 277 S N 2.307 118.193 115.700 0.311 0.000 2.632 277 S HA 0.166 4.636 4.470 -0.000 0.000 0.267 277 S C 1.130 175.957 174.600 0.377 0.000 1.276 277 S CA -0.801 57.569 58.200 0.282 0.000 0.998 277 S CB 0.934 64.263 63.200 0.216 0.000 0.953 277 S HN 0.817 nan 8.310 nan 0.000 0.547 278 M N 2.320 122.115 119.600 0.325 0.000 2.213 278 M HA 0.101 4.581 4.480 -0.000 0.000 0.263 278 M C 1.737 178.283 176.300 0.409 0.000 1.062 278 M CA 2.069 57.592 55.300 0.372 0.000 1.105 278 M CB -1.562 31.171 32.600 0.222 0.000 1.385 278 M HN 0.896 nan 8.290 nan 0.000 0.417 279 G N -0.346 108.640 108.800 0.311 0.000 2.404 279 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.214 279 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.214 279 G C 1.714 176.780 174.900 0.276 0.000 1.189 279 G CA 0.457 45.721 45.100 0.274 0.000 0.789 279 G HN 0.456 nan 8.290 nan 0.000 0.533 280 R N -0.204 120.450 120.500 0.257 0.000 2.249 280 R HA -0.071 4.268 4.340 -0.000 0.000 0.230 280 R C 1.995 178.496 176.300 0.335 0.000 1.121 280 R CA 0.979 57.200 56.100 0.201 0.000 0.997 280 R CB -0.410 29.941 30.300 0.086 0.000 0.867 280 R HN 0.466 nan 8.270 nan 0.000 0.465 281 F N 0.196 120.341 119.950 0.325 0.000 2.188 281 F HA 0.014 4.541 4.527 -0.000 0.000 0.289 281 F C 1.888 177.796 175.800 0.181 0.000 1.082 281 F CA 0.702 58.905 58.000 0.339 0.000 1.282 281 F CB -0.333 38.743 39.000 0.126 0.000 1.060 281 F HN -0.125 nan 8.300 nan 0.000 0.493 282 L N 0.357 121.698 121.223 0.196 0.000 2.042 282 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 282 L C 2.725 179.567 176.870 -0.047 0.000 1.076 282 L CA 1.574 56.414 54.840 0.000 0.000 0.749 282 L CB -0.672 41.585 42.059 0.331 0.000 0.893 282 L HN 0.177 nan 8.230 nan 0.000 0.432 283 R N 0.428 120.983 120.500 0.092 0.000 2.072 283 R HA -0.136 4.204 4.340 -0.000 0.000 0.221 283 R C 2.220 178.532 176.300 0.020 0.000 1.166 283 R CA 1.643 57.797 56.100 0.090 0.000 0.917 283 R CB -0.185 30.183 30.300 0.113 0.000 0.815 283 R HN 0.289 nan 8.270 nan 0.000 0.444 284 E N -0.830 119.401 120.200 0.052 0.000 2.077 284 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 284 E C 1.871 178.484 176.600 0.022 0.000 0.989 284 E CA 1.496 57.925 56.400 0.049 0.000 0.800 284 E CB -0.203 29.547 29.700 0.084 0.000 0.746 284 E HN 0.418 nan 8.360 nan 0.000 0.452 285 Y N 0.767 120.992 120.300 -0.125 0.000 2.201 285 Y HA 0.057 4.607 4.550 -0.000 0.000 0.292 285 Y C 2.146 177.760 175.900 -0.477 0.000 1.119 285 Y CA 1.306 59.236 58.100 -0.283 0.000 1.127 285 Y CB -0.134 38.063 38.460 -0.438 0.000 1.019 285 Y HN -0.054 nan 8.280 nan 0.000 0.514 286 A N 0.192 122.609 122.820 -0.672 0.000 2.238 286 A HA 0.045 4.365 4.320 -0.000 0.000 0.208 286 A C 0.667 177.892 177.584 -0.598 0.000 1.177 286 A CA 0.696 52.246 52.037 -0.812 0.000 0.804 286 A CB -0.829 17.473 19.000 -1.164 0.000 0.823 286 A HN 0.598 nan 8.150 nan 0.000 0.482 287 E N -1.127 118.872 120.200 -0.336 0.000 2.269 287 E HA -0.213 4.137 4.350 -0.000 0.000 0.223 287 E C -0.733 175.914 176.600 0.079 0.000 1.244 287 E CA 0.364 56.694 56.400 -0.117 0.000 0.713 287 E CB -1.702 27.927 29.700 -0.119 0.000 1.178 287 E HN 0.757 nan 8.360 nan 0.000 0.370 288 F N 0.456 120.377 119.950 -0.048 0.000 2.371 288 F HA 0.185 4.712 4.527 -0.000 0.000 0.329 288 F C 1.573 177.374 175.800 0.002 0.000 1.107 288 F CA -0.791 57.199 58.000 -0.017 0.000 1.137 288 F CB 1.081 40.080 39.000 -0.001 0.000 1.214 288 F HN 0.008 nan 8.300 nan 0.000 0.536 289 S N 0.437 116.238 115.700 0.168 0.000 2.632 289 S HA 0.114 4.584 4.470 -0.000 0.000 0.271 289 S C 0.313 174.961 174.600 0.080 0.000 1.260 289 S CA -0.869 57.387 58.200 0.093 0.000 1.010 289 S CB 1.451 64.685 63.200 0.055 0.000 0.965 289 S HN 0.554 nan 8.310 nan 0.000 0.534 290 D N 1.312 121.756 120.400 0.073 0.000 2.158 290 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 290 D C 1.643 177.973 176.300 0.050 0.000 0.995 290 D CA 1.707 55.747 54.000 0.067 0.000 0.846 290 D CB -0.270 40.567 40.800 0.063 0.000 0.941 290 D HN 0.735 nan 8.370 nan 0.000 0.456 291 E N 0.384 120.616 120.200 0.053 0.000 2.106 291 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 291 E C 2.035 178.626 176.600 -0.015 0.000 0.984 291 E CA 1.091 57.527 56.400 0.060 0.000 0.806 291 E CB -0.375 29.391 29.700 0.111 0.000 0.750 291 E HN 0.273 nan 8.360 nan 0.000 0.458 292 A N 0.514 123.299 122.820 -0.059 0.000 1.877 292 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 292 A C 2.458 179.941 177.584 -0.168 0.000 1.186 292 A CA 1.450 53.373 52.037 -0.190 0.000 0.620 292 A CB -0.762 18.027 19.000 -0.353 0.000 0.822 292 A HN 0.157 nan 8.150 nan 0.000 0.443 293 V N -0.123 119.767 119.914 -0.040 0.000 2.407 293 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 293 V C 2.408 178.475 176.094 -0.046 0.000 1.055 293 V CA 2.323 64.641 62.300 0.029 0.000 1.049 293 V CB -0.796 31.092 31.823 0.108 0.000 0.662 293 V HN 0.636 nan 8.190 nan 0.000 0.455 294 E N 0.195 120.348 120.200 -0.078 0.000 2.031 294 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 294 E C 2.349 178.680 176.600 -0.449 0.000 0.994 294 E CA 1.432 57.759 56.400 -0.121 0.000 0.800 294 E CB -0.409 29.294 29.700 0.006 0.000 0.752 294 E HN 0.579 nan 8.360 nan 0.000 0.447 295 A N 0.853 123.228 122.820 -0.742 0.000 1.877 295 A HA -0.193 4.126 4.320 -0.000 0.000 0.216 295 A C 2.192 179.391 177.584 -0.640 0.000 1.186 295 A CA 1.209 52.412 52.037 -1.390 0.000 0.620 295 A CB -0.681 17.802 19.000 -0.862 0.000 0.822 295 A HN 0.181 nan 8.150 nan 0.000 0.443 296 I N -0.363 120.015 120.570 -0.320 0.000 2.099 296 I HA -0.248 3.921 4.170 -0.000 0.000 0.239 296 I C 2.732 178.798 176.117 -0.085 0.000 1.066 296 I CA 1.392 62.615 61.300 -0.130 0.000 1.324 296 I CB -0.777 37.208 38.000 -0.025 0.000 1.037 296 I HN 0.414 nan 8.210 nan 0.000 0.401 297 G N -0.364 108.396 108.800 -0.067 0.000 2.462 297 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 297 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 297 G C 1.600 176.486 174.900 -0.024 0.000 1.121 297 G CA 1.456 46.550 45.100 -0.009 0.000 0.758 297 G HN 0.324 nan 8.290 nan 0.000 0.559 298 T N 1.265 115.758 114.554 -0.102 0.000 2.814 298 T HA 0.055 4.405 4.350 -0.000 0.000 0.254 298 T C 2.329 177.020 174.700 -0.015 0.000 1.037 298 T CA 0.504 62.581 62.100 -0.037 0.000 1.143 298 T CB -0.021 68.842 68.868 -0.009 0.000 0.866 298 T HN 0.092 nan 8.240 nan 0.000 0.431 299 I N 2.181 122.705 120.570 -0.076 0.000 2.493 299 I HA -0.037 4.133 4.170 -0.000 0.000 0.254 299 I C 0.851 176.973 176.117 0.009 0.000 1.160 299 I CA 1.268 62.548 61.300 -0.033 0.000 1.445 299 I CB -0.984 36.971 38.000 -0.075 0.000 1.086 299 I HN 0.554 nan 8.210 nan 0.000 0.433 300 E N 0.835 121.043 120.200 0.013 0.000 3.626 300 E HA 0.169 4.519 4.350 -0.000 0.000 0.245 300 E C -0.198 176.427 176.600 0.041 0.000 1.236 300 E CA -0.397 56.025 56.400 0.038 0.000 1.072 300 E CB -0.653 29.078 29.700 0.051 0.000 1.309 300 E HN 0.239 nan 8.360 nan 0.000 0.400 301 N N 2.723 121.449 118.700 0.043 0.000 2.969 301 N HA -0.232 4.508 4.740 -0.000 0.000 0.309 301 N C -0.107 175.439 175.510 0.061 0.000 1.102 301 N CA 0.747 53.829 53.050 0.053 0.000 0.802 301 N CB 0.136 38.658 38.487 0.058 0.000 0.990 301 N HN 0.590 nan 8.380 nan 0.000 0.611 302 M N 0.935 120.574 119.600 0.065 0.000 2.722 302 M HA 0.007 4.487 4.480 -0.000 0.000 0.451 302 M C 0.910 177.268 176.300 0.096 0.000 1.225 302 M CA -0.311 55.039 55.300 0.083 0.000 0.874 302 M CB 0.708 33.361 32.600 0.088 0.000 1.736 302 M HN 0.274 nan 8.290 nan 0.000 0.584 303 T N 0.259 114.864 114.554 0.084 0.000 2.866 303 T HA -0.042 4.308 4.350 -0.000 0.000 0.250 303 T C 1.926 176.704 174.700 0.130 0.000 1.033 303 T CA 2.062 64.218 62.100 0.093 0.000 1.145 303 T CB 0.082 68.992 68.868 0.070 0.000 0.866 303 T HN 0.512 nan 8.240 nan 0.000 0.434 304 S N 1.929 117.701 115.700 0.121 0.000 2.383 304 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 304 S C 2.050 176.744 174.600 0.157 0.000 1.026 304 S CA 0.502 58.792 58.200 0.150 0.000 0.981 304 S CB -0.262 63.004 63.200 0.110 0.000 0.818 304 S HN 0.245 nan 8.310 nan 0.000 0.472 305 R N 0.730 121.287 120.500 0.094 0.000 2.119 305 R HA 0.255 4.595 4.340 -0.000 0.000 0.222 305 R C 2.093 178.409 176.300 0.027 0.000 1.088 305 R CA 0.457 56.570 56.100 0.021 0.000 0.984 305 R CB -1.512 28.837 30.300 0.082 0.000 0.884 305 R HN 0.367 nan 8.270 nan 0.000 0.447 306 L N 2.030 123.336 121.223 0.139 0.000 2.318 306 L HA -0.300 4.039 4.340 -0.000 0.000 0.227 306 L C 2.279 179.277 176.870 0.214 0.000 1.110 306 L CA 2.342 57.296 54.840 0.191 0.000 0.840 306 L CB -0.609 41.577 42.059 0.211 0.000 0.913 306 L HN 0.448 nan 8.230 nan 0.000 0.451 307 H N -2.509 116.626 119.070 0.108 0.000 2.539 307 H HA 0.261 4.817 4.556 -0.000 0.000 0.269 307 H C 0.773 176.166 175.328 0.108 0.000 0.980 307 H CA -0.401 55.709 56.048 0.103 0.000 1.152 307 H CB -0.589 29.219 29.762 0.076 0.000 1.407 307 H HN 0.332 nan 8.280 nan 0.000 0.564 308 L N 1.248 122.354 121.223 -0.194 0.000 2.399 308 L HA 0.476 4.815 4.340 -0.000 0.000 0.265 308 L C 0.706 177.621 176.870 0.075 0.000 1.089 308 L CA -0.905 53.870 54.840 -0.108 0.000 0.802 308 L CB 0.865 42.833 42.059 -0.153 0.000 1.180 308 L HN 0.153 nan 8.230 nan 0.000 0.454 309 A N 1.029 123.919 122.820 0.116 0.000 2.616 309 A HA -0.174 4.146 4.320 -0.000 0.000 0.234 309 A C 0.750 178.485 177.584 0.252 0.000 1.024 309 A CA 0.258 52.426 52.037 0.219 0.000 0.758 309 A CB -0.347 18.788 19.000 0.226 0.000 0.939 309 A HN 0.735 nan 8.150 nan 0.000 0.510 310 F N 2.780 122.820 119.950 0.151 0.000 2.126 310 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 310 F C 1.536 177.330 175.800 -0.011 0.000 1.096 310 F CA 2.104 60.103 58.000 -0.002 0.000 1.255 310 F CB -0.380 38.526 39.000 -0.156 0.000 0.997 310 F HN 0.613 nan 8.300 nan 0.000 0.479 311 F N 0.173 120.092 119.950 -0.053 0.000 2.126 311 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 311 F C 2.709 178.452 175.800 -0.096 0.000 1.096 311 F CA 2.171 60.126 58.000 -0.076 0.000 1.255 311 F CB -0.833 38.246 39.000 0.131 0.000 0.997 311 F HN 0.155 nan 8.300 nan 0.000 0.479 312 H N -0.641 118.494 119.070 0.108 0.000 2.422 312 H HA -0.122 4.433 4.556 -0.000 0.000 0.298 312 H C 2.077 177.382 175.328 -0.039 0.000 1.098 312 H CA 1.994 58.067 56.048 0.042 0.000 1.315 312 H CB -0.147 29.635 29.762 0.032 0.000 1.382 312 H HN 0.106 nan 8.280 nan 0.000 0.523 313 S N -0.702 114.869 115.700 -0.215 0.000 2.406 313 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 313 S C 1.768 176.177 174.600 -0.318 0.000 1.030 313 S CA 0.539 58.582 58.200 -0.263 0.000 0.958 313 S CB -0.349 62.765 63.200 -0.144 0.000 0.811 313 S HN 0.438 nan 8.310 nan 0.000 0.489 314 F N 2.960 122.474 119.950 -0.727 0.000 2.146 314 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 314 F C 1.716 177.300 175.800 -0.360 0.000 1.096 314 F CA 0.933 58.475 58.000 -0.763 0.000 1.275 314 F CB -0.547 37.553 39.000 -1.498 0.000 1.008 314 F HN 0.065 nan 8.300 nan 0.000 0.480 315 L N -0.129 120.863 121.223 -0.384 0.000 1.994 315 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 315 L C 2.833 179.548 176.870 -0.258 0.000 1.071 315 L CA 1.458 56.120 54.840 -0.297 0.000 0.745 315 L CB -1.806 40.227 42.059 -0.043 0.000 0.892 315 L HN 0.306 nan 8.230 nan 0.000 0.431 316 G N -0.143 108.526 108.800 -0.218 0.000 2.507 316 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.221 316 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.221 316 G C 0.986 175.811 174.900 -0.125 0.000 1.119 316 G CA 0.078 45.094 45.100 -0.140 0.000 0.751 316 G HN 0.351 nan 8.290 nan 0.000 0.574 317 R N 1.473 121.848 120.500 -0.208 0.000 4.237 317 R HA -0.144 4.196 4.340 -0.000 0.000 0.171 317 R C 1.333 177.561 176.300 -0.120 0.000 0.417 317 R CA 0.648 56.646 56.100 -0.170 0.000 0.895 317 R CB -0.199 29.925 30.300 -0.294 0.000 1.009 317 R HN 0.346 nan 8.270 nan 0.000 0.271 318 S N 2.348 118.030 115.700 -0.031 0.000 2.805 318 S HA -0.072 4.398 4.470 -0.000 0.000 0.230 318 S C 0.592 175.178 174.600 -0.024 0.000 0.968 318 S CA 0.268 58.480 58.200 0.019 0.000 0.976 318 S CB 0.039 63.310 63.200 0.118 0.000 0.787 318 S HN 0.613 nan 8.310 nan 0.000 0.533 319 D N 1.975 122.337 120.400 -0.064 0.000 1.913 319 D HA 0.097 4.737 4.640 -0.000 0.000 0.280 319 D C 1.927 178.174 176.300 -0.090 0.000 1.012 319 D CA 0.854 54.828 54.000 -0.043 0.000 0.892 319 D CB -0.328 40.463 40.800 -0.015 0.000 1.119 319 D HN 0.326 nan 8.370 nan 0.000 0.434 320 I N 0.280 120.800 120.570 -0.082 0.000 4.848 320 I HA -0.398 3.772 4.170 -0.000 0.000 0.043 320 I C 0.165 176.246 176.117 -0.059 0.000 0.633 320 I CA 1.808 63.058 61.300 -0.083 0.000 0.393 320 I CB -0.995 36.875 38.000 -0.216 0.000 0.427 320 I HN 0.133 nan 8.210 nan 0.000 0.154 321 D N 2.908 123.240 120.400 -0.113 0.000 2.494 321 D HA 0.167 4.806 4.640 -0.000 0.000 0.217 321 D C -1.362 174.948 176.300 0.016 0.000 1.153 321 D CA -1.152 52.839 54.000 -0.016 0.000 0.954 321 D CB 0.454 41.273 40.800 0.032 0.000 1.034 321 D HN 0.329 nan 8.370 nan 0.000 0.518 322 P HA -0.147 nan 4.420 nan 0.000 0.223 322 P C 1.033 178.374 177.300 0.068 0.000 1.151 322 P CA 0.573 63.702 63.100 0.049 0.000 0.787 322 P CB 0.476 32.200 31.700 0.041 0.000 0.788 323 R N -0.431 120.111 120.500 0.069 0.000 2.427 323 R HA 0.368 4.707 4.340 -0.000 0.000 0.262 323 R C 0.783 177.144 176.300 0.102 0.000 0.943 323 R CA -0.199 55.949 56.100 0.081 0.000 1.081 323 R CB 0.000 30.342 30.300 0.069 0.000 1.166 323 R HN 0.006 nan 8.270 nan 0.000 0.534 324 A N 0.377 123.260 122.820 0.106 0.000 2.275 324 A HA 0.247 4.566 4.320 -0.000 0.000 0.276 324 A C 0.181 177.810 177.584 0.076 0.000 1.232 324 A CA 0.578 52.689 52.037 0.123 0.000 0.814 324 A CB 0.163 19.257 19.000 0.157 0.000 1.145 324 A HN 0.474 nan 8.150 nan 0.000 0.508 325 T N -4.127 110.428 114.554 0.002 0.000 2.853 325 T HA 0.615 4.965 4.350 -0.000 0.000 0.311 325 T C -1.103 173.350 174.700 -0.412 0.000 1.307 325 T CA -0.523 61.506 62.100 -0.117 0.000 1.019 325 T CB 0.792 69.632 68.868 -0.047 0.000 1.264 325 T HN 0.454 nan 8.240 nan 0.000 0.497 326 Y N -0.465 119.632 120.300 -0.339 0.000 2.528 326 Y HA 0.745 5.295 4.550 -0.000 0.000 0.335 326 Y C -0.615 174.854 175.900 -0.719 0.000 1.093 326 Y CA -0.543 57.390 58.100 -0.278 0.000 1.134 326 Y CB 1.722 40.204 38.460 0.037 0.000 1.253 326 Y HN 0.738 nan 8.280 nan 0.000 0.478 327 W N 0.347 121.761 121.300 0.190 0.000 3.029 327 W HA 0.580 5.240 4.660 -0.000 0.000 0.339 327 W C -1.182 175.388 176.519 0.085 0.000 1.198 327 W CA -0.968 56.447 57.345 0.117 0.000 1.148 327 W CB 1.522 31.003 29.460 0.036 0.000 1.451 327 W HN 0.412 nan 8.180 nan 0.000 0.564 328 E N 0.651 121.049 120.200 0.330 0.000 2.308 328 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 328 E C -1.336 175.382 176.600 0.196 0.000 0.890 328 E CA -0.840 55.689 56.400 0.216 0.000 0.754 328 E CB 1.835 31.681 29.700 0.245 0.000 1.207 328 E HN 0.447 nan 8.360 nan 0.000 0.426 329 I N 2.835 123.489 120.570 0.139 0.000 2.533 329 I HA 0.022 4.192 4.170 -0.000 0.000 0.284 329 I C 0.613 176.793 176.117 0.105 0.000 1.109 329 I CA -0.004 61.354 61.300 0.097 0.000 1.412 329 I CB 0.452 38.480 38.000 0.047 0.000 1.396 329 I HN 0.504 nan 8.210 nan 0.000 0.543 330 E N 4.943 125.196 120.200 0.087 0.000 2.415 330 E HA 0.145 4.495 4.350 -0.000 0.000 0.263 330 E C 1.038 177.634 176.600 -0.006 0.000 0.995 330 E CA 0.756 57.206 56.400 0.084 0.000 0.915 330 E CB 0.605 30.346 29.700 0.069 0.000 0.951 330 E HN 0.969 nan 8.360 nan 0.000 0.449 331 G N 2.141 110.897 108.800 -0.072 0.000 2.234 331 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.235 331 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.235 331 G C 0.476 174.999 174.900 -0.628 0.000 0.997 331 G CA -0.138 44.745 45.100 -0.362 0.000 0.623 331 G HN 1.205 nan 8.290 nan 0.000 0.514 332 G N -1.740 106.916 108.800 -0.241 0.000 2.357 332 G HA2 0.422 4.382 3.960 -0.000 0.000 0.643 332 G HA3 0.422 4.382 3.960 -0.000 0.000 0.643 332 G C 0.494 175.400 174.900 0.011 0.000 1.358 332 G CA 0.354 45.419 45.100 -0.059 0.000 0.986 332 G HN 1.147 nan 8.290 nan 0.000 0.620 333 S N -0.274 115.463 115.700 0.062 0.000 2.406 333 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 333 S C 2.484 177.074 174.600 -0.017 0.000 1.020 333 S CA 1.805 60.020 58.200 0.026 0.000 0.965 333 S CB -0.264 62.954 63.200 0.029 0.000 0.798 333 S HN 0.864 nan 8.310 nan 0.000 0.488 334 R N 1.542 122.021 120.500 -0.036 0.000 2.133 334 R HA -0.116 4.224 4.340 -0.000 0.000 0.247 334 R C 1.966 178.223 176.300 -0.073 0.000 1.151 334 R CA 1.648 57.714 56.100 -0.056 0.000 0.971 334 R CB -0.679 29.574 30.300 -0.079 0.000 0.866 334 R HN 0.238 nan 8.270 nan 0.000 0.447 335 M N 0.819 120.362 119.600 -0.096 0.000 2.103 335 M HA -0.195 4.284 4.480 -0.000 0.000 0.255 335 M C 2.246 178.513 176.300 -0.056 0.000 1.074 335 M CA 1.491 56.740 55.300 -0.085 0.000 1.090 335 M CB -1.021 31.531 32.600 -0.081 0.000 1.325 335 M HN 0.315 nan 8.290 nan 0.000 0.403 336 L N 1.421 122.618 121.223 -0.044 0.000 1.955 336 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 336 L C -0.602 176.243 176.870 -0.041 0.000 1.072 336 L CA 2.412 57.228 54.840 -0.039 0.000 0.755 336 L CB -2.009 40.030 42.059 -0.035 0.000 0.888 336 L HN 0.096 nan 8.230 nan 0.000 0.432 337 P HA -0.186 nan 4.420 nan 0.000 0.217 337 P C 1.145 178.424 177.300 -0.035 0.000 1.150 337 P CA 1.623 64.700 63.100 -0.038 0.000 0.832 337 P CB -0.067 31.611 31.700 -0.036 0.000 0.787 338 E N -0.763 119.415 120.200 -0.037 0.000 2.268 338 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 338 E C 1.895 178.475 176.600 -0.033 0.000 0.995 338 E CA 1.145 57.525 56.400 -0.033 0.000 0.836 338 E CB -0.379 29.296 29.700 -0.041 0.000 0.763 338 E HN 0.261 nan 8.360 nan 0.000 0.491 339 T N 1.024 115.556 114.554 -0.036 0.000 2.809 339 T HA -0.011 4.339 4.350 -0.000 0.000 0.260 339 T C 1.833 176.516 174.700 -0.028 0.000 1.039 339 T CA 0.429 62.510 62.100 -0.032 0.000 1.141 339 T CB -0.041 68.806 68.868 -0.034 0.000 0.869 339 T HN 0.100 nan 8.240 nan 0.000 0.437 340 L N 0.927 122.131 121.223 -0.031 0.000 2.127 340 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 340 L C 2.922 179.777 176.870 -0.025 0.000 1.089 340 L CA 1.260 56.082 54.840 -0.030 0.000 0.757 340 L CB -0.673 41.365 42.059 -0.036 0.000 0.899 340 L HN 0.272 nan 8.230 nan 0.000 0.434 341 A N -0.588 122.217 122.820 -0.025 0.000 1.969 341 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 341 A C 2.211 179.786 177.584 -0.016 0.000 1.169 341 A CA 1.013 53.038 52.037 -0.020 0.000 0.635 341 A CB -0.189 18.799 19.000 -0.019 0.000 0.810 341 A HN 0.173 nan 8.150 nan 0.000 0.445 342 K N 0.674 121.063 120.400 -0.017 0.000 2.103 342 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 342 K C 1.301 177.894 176.600 -0.012 0.000 1.048 342 K CA 1.551 57.830 56.287 -0.014 0.000 0.930 342 K CB -0.484 32.007 32.500 -0.015 0.000 0.716 342 K HN 0.538 nan 8.250 nan 0.000 0.444 343 D N 0.801 121.193 120.400 -0.013 0.000 2.075 343 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 343 D C 1.516 177.811 176.300 -0.009 0.000 0.985 343 D CA 0.788 54.782 54.000 -0.011 0.000 0.834 343 D CB -0.349 40.444 40.800 -0.012 0.000 0.987 343 D HN 0.109 nan 8.370 nan 0.000 0.452 344 L N 1.552 122.768 121.223 -0.011 0.000 2.949 344 L HA 0.050 4.390 4.340 -0.000 0.000 0.263 344 L C 1.852 178.717 176.870 -0.009 0.000 1.190 344 L CA -0.162 54.672 54.840 -0.010 0.000 1.022 344 L CB -0.324 41.727 42.059 -0.014 0.000 1.313 344 L HN -0.116 nan 8.230 nan 0.000 0.413 345 R N 0.784 121.280 120.500 -0.007 0.000 2.139 345 R HA -0.194 4.145 4.340 -0.000 0.000 0.243 345 R C 1.391 177.688 176.300 -0.005 0.000 1.145 345 R CA 1.802 57.898 56.100 -0.006 0.000 0.976 345 R CB -0.122 30.175 30.300 -0.005 0.000 0.866 345 R HN 0.408 nan 8.270 nan 0.000 0.449 346 D N -1.178 119.220 120.400 -0.004 0.000 2.366 346 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 346 D C 1.477 177.776 176.300 -0.002 0.000 1.022 346 D CA 0.379 54.378 54.000 -0.002 0.000 0.868 346 D CB 0.240 41.039 40.800 -0.001 0.000 0.953 346 D HN 0.240 nan 8.370 nan 0.000 0.514 347 Q N 0.553 120.351 119.800 -0.003 0.000 2.123 347 Q HA 0.168 4.507 4.340 -0.000 0.000 0.196 347 Q C 0.867 176.863 176.000 -0.007 0.000 0.958 347 Q CA 0.399 56.200 55.803 -0.004 0.000 0.841 347 Q CB 0.310 29.046 28.738 -0.005 0.000 0.915 347 Q HN 0.266 nan 8.270 nan 0.000 0.455 348 I N 1.284 121.849 120.570 -0.009 0.000 2.598 348 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 348 I C -0.632 175.480 176.117 -0.008 0.000 1.140 348 I CA -0.223 61.071 61.300 -0.011 0.000 1.420 348 I CB 0.541 38.533 38.000 -0.012 0.000 1.387 348 I HN -0.161 nan 8.210 nan 0.000 0.553 349 V N 7.464 127.373 119.914 -0.009 0.000 2.376 349 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 349 V C 0.389 176.479 176.094 -0.008 0.000 1.015 349 V CA -0.765 61.531 62.300 -0.007 0.000 0.834 349 V CB 1.339 33.159 31.823 -0.006 0.000 1.001 349 V HN 0.600 nan 8.190 nan 0.000 0.428 350 M N 1.978 121.574 119.600 -0.007 0.000 2.114 350 M HA 0.418 4.898 4.480 -0.000 0.000 0.280 350 M C 1.528 177.824 176.300 -0.006 0.000 1.209 350 M CA 0.372 55.668 55.300 -0.007 0.000 1.044 350 M CB -0.099 32.496 32.600 -0.007 0.000 1.404 350 M HN 0.915 nan 8.290 nan 0.000 0.499 351 G N 1.449 110.245 108.800 -0.007 0.000 2.379 351 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.297 351 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.297 351 G C -0.154 174.743 174.900 -0.005 0.000 1.004 351 G CA 0.238 45.335 45.100 -0.006 0.000 0.921 351 G HN 0.533 nan 8.290 nan 0.000 0.511 352 Q N -0.725 119.071 119.800 -0.006 0.000 2.303 352 Q HA 0.365 4.705 4.340 -0.000 0.000 0.267 352 Q C -0.009 175.988 176.000 -0.005 0.000 1.011 352 Q CA -0.618 55.182 55.803 -0.005 0.000 0.740 352 Q CB 1.652 30.388 28.738 -0.004 0.000 1.250 352 Q HN 0.534 nan 8.270 nan 0.000 0.458 353 R N 3.058 123.556 120.500 -0.004 0.000 2.229 353 R HA 0.391 4.731 4.340 -0.000 0.000 0.328 353 R C -0.027 176.272 176.300 -0.002 0.000 1.009 353 R CA -0.331 55.767 56.100 -0.004 0.000 0.864 353 R CB 0.855 31.153 30.300 -0.003 0.000 1.085 353 R HN 0.630 nan 8.270 nan 0.000 0.453 354 M N 5.527 125.126 119.600 -0.002 0.000 2.238 354 M HA 0.010 4.490 4.480 -0.000 0.000 0.350 354 M C 0.236 176.538 176.300 0.003 0.000 1.321 354 M CA 0.388 55.689 55.300 0.002 0.000 1.097 354 M CB 0.956 33.556 32.600 0.001 0.000 1.713 354 M HN 0.658 nan 8.290 nan 0.000 0.455 355 V N 1.431 121.348 119.914 0.006 0.000 3.408 355 V HA 0.469 4.589 4.120 -0.000 0.000 0.263 355 V C 0.364 176.464 176.094 0.010 0.000 1.503 355 V CA -0.217 62.087 62.300 0.006 0.000 1.046 355 V CB 0.106 31.931 31.823 0.004 0.000 0.851 355 V HN 0.908 nan 8.190 nan 0.000 0.435 356 R N 0.475 120.983 120.500 0.013 0.000 2.744 356 R HA 0.736 5.076 4.340 -0.000 0.000 0.279 356 R C -2.285 174.032 176.300 0.030 0.000 0.977 356 R CA -0.793 55.318 56.100 0.018 0.000 0.906 356 R CB 2.398 32.706 30.300 0.012 0.000 1.197 356 R HN 0.318 nan 8.270 nan 0.000 0.463 357 L N 2.398 123.648 121.223 0.045 0.000 2.491 357 L HA 0.476 4.816 4.340 -0.000 0.000 0.267 357 L C -1.593 175.337 176.870 0.100 0.000 0.971 357 L CA -0.084 54.803 54.840 0.079 0.000 0.857 357 L CB 1.885 44.002 42.059 0.095 0.000 1.226 357 L HN 0.745 nan 8.230 nan 0.000 0.408 358 E N 3.845 124.096 120.200 0.086 0.000 2.176 358 E HA 0.591 4.940 4.350 -0.000 0.000 0.267 358 E C -1.822 174.845 176.600 0.112 0.000 0.893 358 E CA -0.653 55.764 56.400 0.029 0.000 0.761 358 E CB 1.428 31.128 29.700 -0.000 0.000 1.133 358 E HN 0.590 nan 8.360 nan 0.000 0.409 359 Y N 1.442 121.765 120.300 0.039 0.000 2.609 359 Y HA 0.520 5.070 4.550 -0.000 0.000 0.342 359 Y C -1.800 174.160 175.900 0.101 0.000 1.058 359 Y CA -1.440 56.693 58.100 0.055 0.000 1.055 359 Y CB 0.867 39.339 38.460 0.020 0.000 1.292 359 Y HN 0.489 nan 8.280 nan 0.000 0.476 360 Y N 1.561 121.939 120.300 0.131 0.000 2.360 360 Y HA 0.577 5.127 4.550 -0.000 0.000 0.337 360 Y C -1.484 174.508 175.900 0.154 0.000 1.039 360 Y CA -0.624 57.504 58.100 0.046 0.000 1.109 360 Y CB 1.648 40.124 38.460 0.027 0.000 1.201 360 Y HN 0.879 nan 8.280 nan 0.000 0.458 361 D N 7.764 127.769 120.400 -0.658 0.000 2.686 361 D HA 0.332 4.971 4.640 -0.000 0.000 0.249 361 D C -1.714 174.141 176.300 -0.741 0.000 1.260 361 D CA -1.895 51.813 54.000 -0.486 0.000 0.910 361 D CB 1.826 42.601 40.800 -0.041 0.000 1.323 361 D HN 0.397 nan 8.370 nan 0.000 0.561 362 P HA 0.060 nan 4.420 nan 0.000 0.213 362 P C 0.504 177.705 177.300 -0.165 0.000 1.170 362 P CA 0.771 63.667 63.100 -0.341 0.000 0.898 362 P CB 0.302 31.927 31.700 -0.127 0.000 0.787 378 A N 0.597 123.471 122.820 0.091 0.000 2.014 378 A HA 0.330 4.649 4.320 -0.000 0.000 0.218 378 A C 0.583 178.267 177.584 0.167 0.000 1.163 378 A CA 1.263 53.395 52.037 0.159 0.000 0.652 378 A CB 0.208 19.291 19.000 0.139 0.000 0.808 378 A HN 0.323 nan 8.150 nan 0.000 0.449 379 V N -1.096 118.885 119.914 0.113 0.000 2.808 379 V HA 0.663 4.783 4.120 -0.000 0.000 0.308 379 V C -0.568 175.572 176.094 0.077 0.000 1.099 379 V CA -0.321 62.049 62.300 0.116 0.000 0.920 379 V CB 1.597 33.472 31.823 0.087 0.000 1.014 379 V HN 0.485 nan 8.190 nan 0.000 0.425 380 A N 5.589 128.456 122.820 0.079 0.000 2.335 380 A HA 0.916 5.235 4.320 -0.000 0.000 0.304 380 A C -1.056 176.557 177.584 0.048 0.000 1.118 380 A CA -0.389 51.677 52.037 0.049 0.000 0.757 380 A CB 0.896 19.918 19.000 0.035 0.000 1.188 380 A HN 0.749 nan 8.150 nan 0.000 0.460 381 I N 2.181 122.771 120.570 0.033 0.000 2.418 381 I HA 0.316 4.485 4.170 -0.000 0.000 0.287 381 I C -0.039 176.088 176.117 0.017 0.000 1.008 381 I CA -0.338 60.978 61.300 0.028 0.000 1.104 381 I CB 2.007 40.020 38.000 0.022 0.000 1.264 381 I HN 0.829 nan 8.210 nan 0.000 0.438 382 Q N 5.886 125.695 119.800 0.016 0.000 2.271 382 Q HA 0.554 4.893 4.340 -0.000 0.000 0.258 382 Q C -0.820 175.184 176.000 0.007 0.000 0.936 382 Q CA -0.495 55.313 55.803 0.010 0.000 0.909 382 Q CB 1.744 30.487 28.738 0.008 0.000 1.253 382 Q HN 0.749 nan 8.270 nan 0.000 0.440 383 T N -0.288 114.269 114.554 0.004 0.000 2.916 383 T HA 0.693 5.043 4.350 -0.000 0.000 0.292 383 T C -0.584 174.116 174.700 0.001 0.000 1.055 383 T CA -0.697 61.404 62.100 0.002 0.000 1.009 383 T CB 1.534 70.403 68.868 0.001 0.000 1.118 383 T HN 0.350 nan 8.240 nan 0.000 0.497 384 V N 2.847 122.762 119.914 0.000 0.000 2.769 384 V HA 0.622 4.742 4.120 -0.000 0.000 0.312 384 V C -2.166 173.927 176.094 -0.001 0.000 1.058 384 V CA -2.330 59.970 62.300 -0.000 0.000 0.952 384 V CB 1.841 33.663 31.823 -0.000 0.000 1.019 384 V HN 0.878 nan 8.190 nan 0.000 0.445 385 P HA 0.333 nan 4.420 nan 0.000 0.280 385 P C -0.726 176.573 177.300 -0.002 0.000 1.244 385 P CA -0.201 62.898 63.100 -0.002 0.000 0.784 385 P CB 1.477 33.176 31.700 -0.002 0.000 0.913 386 E N 0.000 120.198 120.200 -0.003 0.000 2.725 386 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 386 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 386 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 386 E HN 0.000 nan 8.360 nan 0.000 0.440