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 3g6k_1_E DATA FIRST_RESID 0 DATA SEQUENCE VMRLGDAAEL CYNLTSSYLQ IAAESDSIIA QTQRAINTTK SILINETFPK DATA SEQUENCE WSPLNGEISF SYNGGKDCQV LLLLYLSCLW EYYIVXXXXX XXXXXXXXFP DATA SEQUENCE LTKLPTVFID HDDTFKTLEN FIEETSLRYS LSLYESDRDK CETMAEAFET DATA SEQUENCE FLQVFPETKA IVIGIRHTDP FGEHLKPIQK TDANWPDFYR LQPLLHWNLA DATA SEQUENCE NIWSFLLYSN EPICELYRYG FTSLGNVEET LPNPHLRKDK NSTPLKLNFE DATA SEQUENCE WEIENRYKHN EVTKAEPIPI ADEDLVKIEN LHEDYYPGWY LVDDKLERAG DATA SEQUENCE R 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 0 V HA 0.000 nan 4.120 nan 0.000 0.244 0 V C 0.000 176.026 176.094 -0.114 0.000 1.182 0 V CA 0.000 62.226 62.300 -0.123 0.000 1.235 0 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 1 M N 3.175 122.705 119.600 -0.116 0.000 2.464 1 M HA 0.639 5.119 4.480 -0.000 0.000 0.308 1 M C -0.147 176.117 176.300 -0.060 0.000 1.127 1 M CA -0.673 54.574 55.300 -0.089 0.000 0.913 1 M CB 2.826 35.367 32.600 -0.097 0.000 1.689 1 M HN 0.595 nan 8.290 nan 0.000 0.445 2 R N 0.619 121.092 120.500 -0.046 0.000 2.738 2 R HA 0.101 4.441 4.340 -0.000 0.000 0.268 2 R C 1.064 177.341 176.300 -0.038 0.000 1.062 2 R CA -0.427 55.659 56.100 -0.023 0.000 1.158 2 R CB 0.444 30.741 30.300 -0.005 0.000 1.046 2 R HN 0.562 nan 8.270 nan 0.000 0.493 3 L N 2.176 123.397 121.223 -0.003 0.000 2.056 3 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 3 L C 1.972 178.701 176.870 -0.235 0.000 1.078 3 L CA 2.328 57.154 54.840 -0.023 0.000 0.749 3 L CB -0.878 41.249 42.059 0.114 0.000 0.901 3 L HN 0.867 nan 8.230 nan 0.000 0.433 4 G N -1.119 107.529 108.800 -0.254 0.000 2.422 4 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 4 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 4 G C 1.255 175.933 174.900 -0.370 0.000 1.146 4 G CA 0.866 45.638 45.100 -0.546 0.000 0.769 4 G HN 0.456 nan 8.290 nan 0.000 0.547 5 D N 1.110 121.380 120.400 -0.217 0.000 2.117 5 D HA -0.025 4.615 4.640 -0.000 0.000 0.198 5 D C 2.831 178.976 176.300 -0.258 0.000 0.982 5 D CA 1.138 55.004 54.000 -0.224 0.000 0.828 5 D CB -0.347 40.380 40.800 -0.122 0.000 0.967 5 D HN 0.321 nan 8.370 nan 0.000 0.464 6 A N 1.432 124.136 122.820 -0.193 0.000 1.902 6 A HA -0.035 4.284 4.320 -0.000 0.000 0.217 6 A C 2.365 179.831 177.584 -0.196 0.000 1.181 6 A CA 2.101 54.062 52.037 -0.127 0.000 0.623 6 A CB -0.665 18.330 19.000 -0.008 0.000 0.818 6 A HN 0.233 nan 8.150 nan 0.000 0.443 7 A N -0.362 122.285 122.820 -0.289 0.000 1.902 7 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 7 A C 2.041 179.388 177.584 -0.395 0.000 1.181 7 A CA 1.885 53.778 52.037 -0.240 0.000 0.623 7 A CB -0.559 18.270 19.000 -0.285 0.000 0.818 7 A HN 0.679 nan 8.150 nan 0.000 0.443 8 E N -0.588 119.066 120.200 -0.910 0.000 2.077 8 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 8 E C 1.927 178.183 176.600 -0.573 0.000 0.989 8 E CA 1.286 56.833 56.400 -1.421 0.000 0.800 8 E CB -0.216 28.489 29.700 -1.658 0.000 0.746 8 E HN 0.455 nan 8.360 nan 0.000 0.452 9 L N 0.901 121.906 121.223 -0.362 0.000 2.013 9 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 9 L C 2.292 179.045 176.870 -0.194 0.000 1.073 9 L CA 1.929 56.656 54.840 -0.189 0.000 0.753 9 L CB -0.892 41.101 42.059 -0.110 0.000 0.890 9 L HN 0.307 nan 8.230 nan 0.000 0.432 10 C N -1.329 117.885 119.300 -0.143 0.000 2.429 10 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 10 C C 2.583 177.573 174.990 -0.000 0.000 1.262 10 C CA 0.831 59.811 59.018 -0.064 0.000 1.733 10 C CB -1.242 26.483 27.740 -0.026 0.000 2.010 10 C HN 0.736 nan 8.230 nan 0.000 0.483 11 Y N 2.684 122.919 120.300 -0.108 0.000 2.181 11 Y HA -0.165 4.385 4.550 -0.000 0.000 0.288 11 Y C 2.294 178.181 175.900 -0.023 0.000 1.146 11 Y CA 1.908 60.003 58.100 -0.009 0.000 1.164 11 Y CB -0.541 37.930 38.460 0.019 0.000 0.982 11 Y HN 0.319 nan 8.280 nan 0.000 0.515 12 N N 0.569 119.199 118.700 -0.115 0.000 2.142 12 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 12 N C 1.799 177.141 175.510 -0.281 0.000 1.023 12 N CA 1.825 54.792 53.050 -0.139 0.000 0.852 12 N CB -0.603 37.889 38.487 0.008 0.000 0.998 12 N HN 0.570 nan 8.380 nan 0.000 0.424 13 L N -0.955 119.951 121.223 -0.528 0.000 2.179 13 L HA 0.174 4.514 4.340 -0.000 0.000 0.208 13 L C 1.939 178.819 176.870 0.017 0.000 1.096 13 L CA 1.387 55.865 54.840 -0.602 0.000 0.779 13 L CB -1.302 40.267 42.059 -0.816 0.000 0.922 13 L HN -0.143 nan 8.230 nan 0.000 0.443 14 T N -0.356 114.233 114.554 0.058 0.000 2.777 14 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 14 T C 2.033 176.803 174.700 0.117 0.000 1.040 14 T CA 1.618 63.864 62.100 0.244 0.000 1.141 14 T CB -0.338 68.639 68.868 0.182 0.000 0.868 14 T HN 0.450 nan 8.240 nan 0.000 0.444 15 S N 1.511 117.144 115.700 -0.112 0.000 2.370 15 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 15 S C 2.494 177.120 174.600 0.044 0.000 1.033 15 S CA 1.167 59.291 58.200 -0.126 0.000 1.011 15 S CB -0.403 62.588 63.200 -0.348 0.000 0.852 15 S HN 0.432 nan 8.310 nan 0.000 0.457 16 S N 0.211 115.989 115.700 0.129 0.000 2.368 16 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 16 S C 1.595 176.310 174.600 0.192 0.000 1.030 16 S CA 1.140 59.489 58.200 0.249 0.000 0.999 16 S CB -0.457 63.032 63.200 0.481 0.000 0.844 16 S HN 0.630 nan 8.310 nan 0.000 0.459 17 Y N 2.108 122.431 120.300 0.039 0.000 2.181 17 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 17 Y C 1.868 177.722 175.900 -0.076 0.000 1.146 17 Y CA 1.333 59.312 58.100 -0.202 0.000 1.164 17 Y CB -0.296 38.133 38.460 -0.053 0.000 0.982 17 Y HN 0.135 nan 8.280 nan 0.000 0.515 18 L N -0.061 121.266 121.223 0.173 0.000 2.353 18 L HA -0.225 4.115 4.340 -0.000 0.000 0.220 18 L C 1.893 178.754 176.870 -0.014 0.000 1.133 18 L CA 1.209 56.097 54.840 0.079 0.000 0.798 18 L CB -0.412 41.698 42.059 0.084 0.000 0.922 18 L HN 0.346 nan 8.230 nan 0.000 0.445 19 Q N -0.278 119.514 119.800 -0.013 0.000 2.403 19 Q HA 0.151 4.491 4.340 -0.000 0.000 0.203 19 Q C 0.369 176.332 176.000 -0.063 0.000 0.932 19 Q CA -0.100 55.694 55.803 -0.015 0.000 0.945 19 Q CB 0.375 29.135 28.738 0.037 0.000 1.045 19 Q HN 0.468 nan 8.270 nan 0.000 0.511 20 I N 1.741 122.215 120.570 -0.159 0.000 2.668 20 I HA -0.045 4.125 4.170 -0.000 0.000 0.285 20 I C 0.228 176.200 176.117 -0.241 0.000 1.168 20 I CA -0.341 60.808 61.300 -0.251 0.000 1.424 20 I CB 0.625 38.312 38.000 -0.520 0.000 1.377 20 I HN 0.034 nan 8.210 nan 0.000 0.560 21 A N 6.690 129.392 122.820 -0.197 0.000 2.376 21 A HA 0.665 4.985 4.320 -0.000 0.000 0.298 21 A C 0.212 177.660 177.584 -0.228 0.000 1.271 21 A CA -0.258 51.678 52.037 -0.168 0.000 0.926 21 A CB -0.105 18.831 19.000 -0.107 0.000 1.141 21 A HN 0.812 nan 8.150 nan 0.000 0.539 22 A N 2.889 125.576 122.820 -0.220 0.000 2.356 22 A HA 0.732 5.052 4.320 -0.000 0.000 0.323 22 A C -0.058 177.430 177.584 -0.160 0.000 1.119 22 A CA -0.711 51.181 52.037 -0.240 0.000 0.790 22 A CB 0.646 19.484 19.000 -0.270 0.000 1.273 22 A HN 0.700 nan 8.150 nan 0.000 0.452 23 E N 0.635 120.748 120.200 -0.145 0.000 2.374 23 E HA 0.143 4.492 4.350 -0.000 0.000 0.260 23 E C 1.267 177.817 176.600 -0.084 0.000 1.101 23 E CA 0.594 56.933 56.400 -0.101 0.000 0.907 23 E CB 0.962 30.608 29.700 -0.089 0.000 1.014 23 E HN 0.718 nan 8.360 nan 0.000 0.427 24 S N 0.356 116.016 115.700 -0.066 0.000 2.507 24 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 24 S C 0.669 175.239 174.600 -0.049 0.000 0.988 24 S CA 0.917 59.083 58.200 -0.056 0.000 0.944 24 S CB -0.114 63.059 63.200 -0.046 0.000 0.762 24 S HN 0.472 nan 8.310 nan 0.000 0.526 25 D N 1.720 122.090 120.400 -0.050 0.000 2.388 25 D HA 0.146 4.786 4.640 -0.000 0.000 0.221 25 D C 0.437 176.711 176.300 -0.043 0.000 1.133 25 D CA -0.138 53.837 54.000 -0.041 0.000 0.831 25 D CB -0.254 40.525 40.800 -0.036 0.000 0.962 25 D HN 0.439 nan 8.370 nan 0.000 0.502 26 S N -0.811 114.857 115.700 -0.054 0.000 2.617 26 S HA 0.418 4.888 4.470 -0.000 0.000 0.283 26 S C 1.307 175.893 174.600 -0.024 0.000 1.189 26 S CA -0.863 57.305 58.200 -0.053 0.000 1.036 26 S CB 1.375 64.520 63.200 -0.091 0.000 1.014 26 S HN 0.031 nan 8.310 nan 0.000 0.522 27 I N 1.136 121.712 120.570 0.009 0.000 2.226 27 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 27 I C 2.060 178.232 176.117 0.091 0.000 1.100 27 I CA 1.243 62.588 61.300 0.076 0.000 1.374 27 I CB -0.381 37.720 38.000 0.168 0.000 1.057 27 I HN 0.684 nan 8.210 nan 0.000 0.413 28 I N 0.773 121.378 120.570 0.058 0.000 2.163 28 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 28 I C 2.798 178.908 176.117 -0.013 0.000 1.085 28 I CA 1.449 62.769 61.300 0.033 0.000 1.347 28 I CB -0.489 37.397 38.000 -0.190 0.000 1.044 28 I HN 0.193 nan 8.210 nan 0.000 0.408 29 A N -0.062 122.717 122.820 -0.069 0.000 1.902 29 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 29 A C 2.327 179.880 177.584 -0.050 0.000 1.181 29 A CA 1.875 53.870 52.037 -0.070 0.000 0.623 29 A CB -0.714 18.237 19.000 -0.081 0.000 0.818 29 A HN 0.533 nan 8.150 nan 0.000 0.443 30 Q N -0.824 118.948 119.800 -0.046 0.000 2.119 30 Q HA -0.147 4.192 4.340 -0.000 0.000 0.201 30 Q C 1.898 177.810 176.000 -0.146 0.000 0.972 30 Q CA 1.929 57.685 55.803 -0.078 0.000 0.847 30 Q CB -0.216 28.487 28.738 -0.058 0.000 0.903 30 Q HN 0.608 nan 8.270 nan 0.000 0.433 31 T N 0.837 115.330 114.554 -0.102 0.000 2.821 31 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 31 T C 1.638 176.228 174.700 -0.183 0.000 1.046 31 T CA 1.312 63.268 62.100 -0.240 0.000 1.139 31 T CB -0.098 68.785 68.868 0.026 0.000 0.871 31 T HN 0.398 nan 8.240 nan 0.000 0.454 32 Q N 0.713 120.546 119.800 0.054 0.000 2.096 32 Q HA -0.072 4.267 4.340 -0.000 0.000 0.204 32 Q C 2.621 178.591 176.000 -0.050 0.000 0.982 32 Q CA 1.241 57.080 55.803 0.061 0.000 0.850 32 Q CB -0.172 28.593 28.738 0.046 0.000 0.901 32 Q HN 0.462 nan 8.270 nan 0.000 0.422 33 R N 0.206 120.652 120.500 -0.090 0.000 2.096 33 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 33 R C 2.300 178.515 176.300 -0.141 0.000 1.127 33 R CA 1.142 57.181 56.100 -0.102 0.000 0.968 33 R CB -0.397 29.843 30.300 -0.100 0.000 0.861 33 R HN 0.212 nan 8.270 nan 0.000 0.440 34 A N 1.343 124.003 122.820 -0.267 0.000 1.902 34 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 34 A C 2.160 179.713 177.584 -0.052 0.000 1.181 34 A CA 1.165 52.997 52.037 -0.341 0.000 0.623 34 A CB -0.448 17.803 19.000 -1.248 0.000 0.818 34 A HN 0.170 nan 8.150 nan 0.000 0.443 35 I N 0.131 120.636 120.570 -0.108 0.000 2.226 35 I HA -0.273 3.896 4.170 -0.000 0.000 0.245 35 I C 2.102 178.274 176.117 0.092 0.000 1.100 35 I CA 1.228 62.592 61.300 0.107 0.000 1.374 35 I CB -0.414 37.576 38.000 -0.018 0.000 1.057 35 I HN 0.304 nan 8.210 nan 0.000 0.413 36 N N 0.206 118.922 118.700 0.026 0.000 2.244 36 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 36 N C 1.842 177.355 175.510 0.005 0.000 1.016 36 N CA 1.594 54.654 53.050 0.016 0.000 0.866 36 N CB -0.421 38.062 38.487 -0.006 0.000 0.980 36 N HN 0.321 nan 8.380 nan 0.000 0.430 37 T N 0.254 114.793 114.554 -0.024 0.000 2.777 37 T HA -0.064 4.285 4.350 -0.000 0.000 0.266 37 T C 1.893 176.609 174.700 0.027 0.000 1.040 37 T CA 1.383 63.422 62.100 -0.103 0.000 1.141 37 T CB -0.410 68.203 68.868 -0.425 0.000 0.868 37 T HN 0.276 nan 8.240 nan 0.000 0.444 38 T N 2.089 116.785 114.554 0.236 0.000 2.746 38 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 38 T C 2.025 176.774 174.700 0.082 0.000 1.039 38 T CA 0.990 63.238 62.100 0.246 0.000 1.142 38 T CB -0.136 68.933 68.868 0.336 0.000 0.866 38 T HN 0.386 nan 8.240 nan 0.000 0.444 39 K N 0.872 121.311 120.400 0.065 0.000 2.057 39 K HA -0.045 4.274 4.320 -0.000 0.000 0.207 39 K C 2.760 179.339 176.600 -0.035 0.000 1.049 39 K CA 1.196 57.492 56.287 0.016 0.000 0.931 39 K CB -0.331 32.199 32.500 0.050 0.000 0.714 39 K HN 0.205 nan 8.250 nan 0.000 0.440 40 S N 1.168 116.854 115.700 -0.022 0.000 2.368 40 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 40 S C 1.984 176.538 174.600 -0.076 0.000 1.029 40 S CA 0.793 58.967 58.200 -0.044 0.000 0.988 40 S CB -0.157 63.020 63.200 -0.038 0.000 0.838 40 S HN 0.176 nan 8.310 nan 0.000 0.462 41 I N 1.136 121.670 120.570 -0.061 0.000 2.208 41 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 41 I C 2.207 178.227 176.117 -0.161 0.000 1.097 41 I CA 1.147 62.407 61.300 -0.068 0.000 1.363 41 I CB -0.296 37.698 38.000 -0.009 0.000 1.051 41 I HN 0.311 nan 8.210 nan 0.000 0.413 42 L N 0.041 121.113 121.223 -0.251 0.000 2.007 42 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 42 L C 2.467 178.815 176.870 -0.869 0.000 1.073 42 L CA 1.488 55.964 54.840 -0.607 0.000 0.744 42 L CB -0.364 41.335 42.059 -0.600 0.000 0.898 42 L HN 0.160 nan 8.230 nan 0.000 0.435 43 I N -0.208 120.055 120.570 -0.512 0.000 2.353 43 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 43 I C 1.952 177.975 176.117 -0.157 0.000 1.119 43 I CA 0.907 62.016 61.300 -0.319 0.000 1.417 43 I CB -0.212 37.761 38.000 -0.044 0.000 1.078 43 I HN 0.330 nan 8.210 nan 0.000 0.421 44 N N 0.245 118.870 118.700 -0.125 0.000 2.402 44 N HA -0.035 4.705 4.740 -0.000 0.000 0.174 44 N C 1.399 176.861 175.510 -0.079 0.000 1.027 44 N CA 0.908 53.920 53.050 -0.063 0.000 0.891 44 N CB 0.217 38.678 38.487 -0.042 0.000 1.016 44 N HN 0.426 nan 8.380 nan 0.000 0.439 45 E N -1.004 119.130 120.200 -0.111 0.000 2.434 45 E HA 0.166 4.516 4.350 -0.000 0.000 0.207 45 E C 0.869 177.426 176.600 -0.072 0.000 0.929 45 E CA 0.396 56.747 56.400 -0.081 0.000 1.001 45 E CB 0.596 30.266 29.700 -0.050 0.000 1.016 45 E HN 0.100 nan 8.360 nan 0.000 0.502 46 T N 0.305 114.795 114.554 -0.107 0.000 3.053 46 T HA 0.044 4.394 4.350 -0.000 0.000 0.236 46 T C 1.235 176.016 174.700 0.136 0.000 0.996 46 T CA 0.216 62.345 62.100 0.048 0.000 1.185 46 T CB -0.165 68.679 68.868 -0.039 0.000 0.892 46 T HN -0.016 nan 8.240 nan 0.000 0.432 47 F N 1.679 121.556 119.950 -0.122 0.000 2.216 47 F HA 0.105 4.632 4.527 -0.000 0.000 0.300 47 F C -0.796 174.911 175.800 -0.155 0.000 1.085 47 F CA -0.201 57.645 58.000 -0.256 0.000 1.326 47 F CB -2.194 36.283 39.000 -0.872 0.000 1.027 47 F HN 0.229 nan 8.300 nan 0.000 0.497 48 P HA -0.118 nan 4.420 nan 0.000 0.226 48 P C 1.164 178.389 177.300 -0.125 0.000 1.153 48 P CA 1.569 64.673 63.100 0.007 0.000 0.777 48 P CB -0.025 31.662 31.700 -0.022 0.000 0.794 49 K N -2.656 117.586 120.400 -0.264 0.000 2.214 49 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 49 K C 0.400 176.554 176.600 -0.744 0.000 1.049 49 K CA 0.592 56.453 56.287 -0.710 0.000 0.978 49 K CB 0.256 31.917 32.500 -1.399 0.000 0.842 49 K HN 0.127 nan 8.250 nan 0.000 0.474 50 W N 0.943 122.277 121.300 0.057 0.000 2.883 50 W HA 0.297 4.957 4.660 -0.001 0.000 0.335 50 W C -0.426 176.159 176.519 0.109 0.000 1.083 50 W CA -1.242 56.151 57.345 0.080 0.000 1.233 50 W CB 1.491 31.005 29.460 0.090 0.000 1.412 50 W HN -0.173 nan 8.180 nan 0.000 0.490 51 S N 4.135 120.008 115.700 0.289 0.000 2.505 51 S HA 0.214 4.683 4.470 -0.000 0.000 0.276 51 S C -0.948 173.743 174.600 0.152 0.000 1.274 51 S CA -1.052 57.256 58.200 0.180 0.000 1.053 51 S CB 0.872 64.148 63.200 0.127 0.000 0.919 51 S HN 0.215 nan 8.310 nan 0.000 0.490 52 P HA 0.086 nan 4.420 nan 0.000 0.245 52 P C 0.801 178.098 177.300 -0.004 0.000 1.212 52 P CA 0.386 63.495 63.100 0.016 0.000 0.774 52 P CB 0.115 31.606 31.700 -0.348 0.000 0.999 53 L N -0.097 121.103 121.223 -0.038 0.000 2.470 53 L HA 0.132 4.472 4.340 -0.000 0.000 0.219 53 L C 1.442 178.280 176.870 -0.054 0.000 1.071 53 L CA 0.642 55.412 54.840 -0.117 0.000 0.850 53 L CB -0.346 41.568 42.059 -0.242 0.000 1.040 53 L HN 0.072 nan 8.230 nan 0.000 0.475 54 N N -0.458 118.241 118.700 -0.001 0.000 2.235 54 N HA 0.136 4.876 4.740 -0.000 0.000 0.231 54 N C 0.987 176.517 175.510 0.034 0.000 1.177 54 N CA 0.530 53.587 53.050 0.012 0.000 0.874 54 N CB 0.945 39.447 38.487 0.024 0.000 1.097 54 N HN 0.152 nan 8.380 nan 0.000 0.518 55 G N 0.419 109.239 108.800 0.033 0.000 2.175 55 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 55 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 55 G C 0.704 175.631 174.900 0.044 0.000 0.982 55 G CA 0.300 45.412 45.100 0.020 0.000 0.641 55 G HN 0.396 nan 8.290 nan 0.000 0.527 56 E N -0.404 119.849 120.200 0.088 0.000 2.204 56 E HA 0.050 4.399 4.350 -0.000 0.000 0.195 56 E C 0.924 177.570 176.600 0.076 0.000 0.990 56 E CA 0.760 57.233 56.400 0.122 0.000 0.821 56 E CB 0.143 29.978 29.700 0.226 0.000 0.750 56 E HN 0.645 nan 8.360 nan 0.000 0.477 57 I N 0.676 121.303 120.570 0.094 0.000 2.406 57 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 57 I C -0.196 175.957 176.117 0.060 0.000 0.999 57 I CA -0.432 60.913 61.300 0.075 0.000 1.124 57 I CB 2.047 40.170 38.000 0.205 0.000 1.289 57 I HN -0.179 nan 8.210 nan 0.000 0.441 58 S N 5.032 120.741 115.700 0.015 0.000 2.621 58 S HA 0.572 5.042 4.470 -0.000 0.000 0.302 58 S C -0.975 173.615 174.600 -0.017 0.000 1.093 58 S CA -0.490 57.731 58.200 0.035 0.000 1.017 58 S CB 1.814 65.087 63.200 0.121 0.000 1.077 58 S HN 0.420 nan 8.310 nan 0.000 0.517 59 F N 2.010 121.875 119.950 -0.142 0.000 2.402 59 F HA 0.481 5.007 4.527 -0.001 0.000 0.355 59 F C 0.231 175.989 175.800 -0.069 0.000 1.123 59 F CA -0.360 57.523 58.000 -0.194 0.000 1.021 59 F CB 1.159 39.975 39.000 -0.308 0.000 1.160 59 F HN 0.470 nan 8.300 nan 0.000 0.451 60 S N 6.074 121.616 115.700 -0.262 0.000 2.499 60 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 60 S C -1.451 173.293 174.600 0.240 0.000 1.257 60 S CA -0.103 58.121 58.200 0.040 0.000 1.050 60 S CB 0.068 63.285 63.200 0.029 0.000 0.937 60 S HN 0.591 nan 8.310 nan 0.000 0.490 61 Y N 5.397 125.846 120.300 0.249 0.000 2.386 61 Y HA 0.446 4.995 4.550 -0.001 0.000 0.334 61 Y C -0.048 175.985 175.900 0.221 0.000 1.002 61 Y CA -1.072 57.199 58.100 0.285 0.000 1.068 61 Y CB 1.171 39.817 38.460 0.309 0.000 1.203 61 Y HN 0.733 nan 8.280 nan 0.000 0.443 62 N N 2.863 121.413 118.700 -0.249 0.000 2.238 62 N HA 0.240 4.979 4.740 -0.000 0.000 0.235 62 N C 0.957 176.117 175.510 -0.582 0.000 1.209 62 N CA 0.309 53.142 53.050 -0.361 0.000 0.879 62 N CB 0.729 39.278 38.487 0.104 0.000 1.136 62 N HN 1.070 nan 8.380 nan 0.000 0.517 63 G N -0.936 107.229 108.800 -1.059 0.000 2.179 63 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.260 63 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.260 63 G C 0.473 175.360 174.900 -0.022 0.000 0.977 63 G CA 0.167 45.012 45.100 -0.425 0.000 0.641 63 G HN 0.791 nan 8.290 nan 0.000 0.533 64 G N -0.106 108.670 108.800 -0.040 0.000 2.616 64 G HA2 0.516 4.476 3.960 -0.000 0.000 0.268 64 G HA3 0.516 4.476 3.960 -0.000 0.000 0.268 64 G C 1.074 176.075 174.900 0.168 0.000 1.213 64 G CA 0.471 45.653 45.100 0.137 0.000 0.926 64 G HN 0.779 nan 8.290 nan 0.000 0.523 65 K N -0.836 119.646 120.400 0.136 0.000 2.097 65 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 65 K C 1.034 177.569 176.600 -0.109 0.000 1.049 65 K CA 1.699 57.922 56.287 -0.107 0.000 0.933 65 K CB -0.034 32.111 32.500 -0.592 0.000 0.717 65 K HN 0.394 nan 8.250 nan 0.000 0.442 66 D N 1.630 121.967 120.400 -0.106 0.000 2.120 66 D HA -0.084 4.555 4.640 -0.000 0.000 0.202 66 D C 2.390 178.644 176.300 -0.076 0.000 0.972 66 D CA 1.594 55.503 54.000 -0.152 0.000 0.837 66 D CB -0.327 40.387 40.800 -0.143 0.000 0.989 66 D HN 0.515 nan 8.370 nan 0.000 0.469 67 C N 0.533 119.858 119.300 0.041 0.000 2.448 67 C HA 0.031 4.491 4.460 -0.000 0.000 0.280 67 C C 2.571 177.768 174.990 0.345 0.000 1.398 67 C CA 0.080 59.214 59.018 0.194 0.000 1.774 67 C CB -1.161 26.745 27.740 0.277 0.000 1.888 67 C HN 0.230 nan 8.230 nan 0.000 0.519 68 Q N 1.176 121.153 119.800 0.296 0.000 2.046 68 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 68 Q C 2.390 178.458 176.000 0.113 0.000 0.975 68 Q CA 2.160 58.150 55.803 0.311 0.000 0.836 68 Q CB -0.089 28.871 28.738 0.370 0.000 0.896 68 Q HN 0.597 nan 8.270 nan 0.000 0.428 69 V N 1.225 121.155 119.914 0.027 0.000 2.282 69 V HA -0.279 3.840 4.120 -0.000 0.000 0.249 69 V C 2.342 178.356 176.094 -0.134 0.000 1.057 69 V CA 1.682 63.951 62.300 -0.052 0.000 1.032 69 V CB -0.627 31.042 31.823 -0.256 0.000 0.645 69 V HN 0.438 nan 8.190 nan 0.000 0.447 70 L N -0.454 120.687 121.223 -0.136 0.000 2.083 70 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 70 L C 2.131 179.104 176.870 0.172 0.000 1.083 70 L CA 1.804 56.617 54.840 -0.044 0.000 0.752 70 L CB -0.773 41.284 42.059 -0.003 0.000 0.899 70 L HN 0.320 nan 8.230 nan 0.000 0.433 71 L N -0.921 120.379 121.223 0.128 0.000 2.046 71 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 71 L C 2.300 179.042 176.870 -0.212 0.000 1.077 71 L CA 1.763 56.422 54.840 -0.301 0.000 0.747 71 L CB -0.607 41.063 42.059 -0.649 0.000 0.896 71 L HN 0.283 nan 8.230 nan 0.000 0.432 72 L N -1.257 119.880 121.223 -0.143 0.000 2.042 72 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 72 L C 2.526 179.435 176.870 0.065 0.000 1.076 72 L CA 1.365 56.170 54.840 -0.059 0.000 0.749 72 L CB -0.685 41.429 42.059 0.093 0.000 0.893 72 L HN 0.315 nan 8.230 nan 0.000 0.432 73 L N -1.790 119.475 121.223 0.070 0.000 2.093 73 L HA -0.235 4.104 4.340 -0.000 0.000 0.208 73 L C 2.611 179.577 176.870 0.159 0.000 1.085 73 L CA 1.185 56.066 54.840 0.067 0.000 0.755 73 L CB -0.606 41.416 42.059 -0.060 0.000 0.904 73 L HN 0.178 nan 8.230 nan 0.000 0.435 74 Y N 0.738 121.085 120.300 0.077 0.000 2.163 74 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 74 Y C 2.391 178.406 175.900 0.192 0.000 1.136 74 Y CA 1.465 59.671 58.100 0.177 0.000 1.147 74 Y CB -0.070 38.531 38.460 0.235 0.000 0.987 74 Y HN -0.023 nan 8.280 nan 0.000 0.509 75 L N -1.069 120.280 121.223 0.211 0.000 2.046 75 L HA -0.259 4.080 4.340 -0.000 0.000 0.208 75 L C 2.804 179.798 176.870 0.207 0.000 1.077 75 L CA 1.647 56.580 54.840 0.154 0.000 0.747 75 L CB -0.900 41.161 42.059 0.003 0.000 0.896 75 L HN 0.223 nan 8.230 nan 0.000 0.432 76 S N -0.773 115.047 115.700 0.200 0.000 2.359 76 S HA -0.236 4.234 4.470 -0.000 0.000 0.224 76 S C 2.134 176.969 174.600 0.392 0.000 1.035 76 S CA 1.738 60.127 58.200 0.315 0.000 1.018 76 S CB -0.349 63.002 63.200 0.251 0.000 0.876 76 S HN 0.529 nan 8.310 nan 0.000 0.448 77 C N 1.084 120.546 119.300 0.271 0.000 2.435 77 C HA 0.132 4.591 4.460 -0.000 0.000 0.279 77 C C 2.512 177.709 174.990 0.345 0.000 1.321 77 C CA 0.357 59.537 59.018 0.271 0.000 1.752 77 C CB -1.559 26.261 27.740 0.133 0.000 1.959 77 C HN 0.583 nan 8.230 nan 0.000 0.500 78 L N -0.459 120.935 121.223 0.285 0.000 2.046 78 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 78 L C 2.699 179.900 176.870 0.551 0.000 1.077 78 L CA 1.691 56.735 54.840 0.339 0.000 0.747 78 L CB -0.673 41.619 42.059 0.387 0.000 0.896 78 L HN 0.631 nan 8.230 nan 0.000 0.432 79 W N 1.514 123.029 121.300 0.359 0.000 2.358 79 W HA -0.230 4.429 4.660 -0.001 0.000 0.303 79 W C 2.292 178.827 176.519 0.026 0.000 1.208 79 W CA 2.021 59.513 57.345 0.245 0.000 1.274 79 W CB -0.008 29.487 29.460 0.057 0.000 1.138 79 W HN 0.307 nan 8.180 nan 0.000 0.515 80 E N -0.665 119.644 120.200 0.180 0.000 2.077 80 E HA -0.314 4.035 4.350 -0.000 0.000 0.193 80 E C 2.171 178.768 176.600 -0.004 0.000 0.989 80 E CA 1.647 58.059 56.400 0.020 0.000 0.800 80 E CB -0.837 29.024 29.700 0.268 0.000 0.746 80 E HN 0.257 nan 8.360 nan 0.000 0.452 81 Y N -0.602 119.636 120.300 -0.104 0.000 2.200 81 Y HA -0.205 4.344 4.550 -0.001 0.000 0.290 81 Y C 1.433 177.053 175.900 -0.467 0.000 1.137 81 Y CA 1.704 59.629 58.100 -0.292 0.000 1.163 81 Y CB -0.123 38.111 38.460 -0.377 0.000 0.988 81 Y HN 0.130 nan 8.280 nan 0.000 0.518 82 Y N -1.563 118.668 120.300 -0.114 0.000 2.476 82 Y HA 0.002 4.552 4.550 -0.000 0.000 0.283 82 Y C 1.874 177.557 175.900 -0.362 0.000 1.109 82 Y CA 0.372 58.301 58.100 -0.284 0.000 1.246 82 Y CB 0.191 38.475 38.460 -0.294 0.000 1.068 82 Y HN 0.070 nan 8.280 nan 0.000 0.552 83 I N -1.922 118.427 120.570 -0.368 0.000 3.345 83 I HA 0.061 4.231 4.170 -0.000 0.000 0.258 83 I C 0.928 176.786 176.117 -0.432 0.000 1.134 83 I CA 0.380 61.338 61.300 -0.569 0.000 1.457 83 I CB -0.816 36.387 38.000 -1.328 0.000 1.425 83 I HN -0.277 nan 8.210 nan 0.000 0.461 99 P HA 0.187 nan 4.420 nan 0.000 0.249 99 P C -0.693 176.347 177.300 -0.433 0.000 1.229 99 P CA 0.423 63.223 63.100 -0.500 0.000 0.788 99 P CB 0.584 31.884 31.700 -0.666 0.000 1.072 100 L N -0.641 120.311 121.223 -0.452 0.000 2.381 100 L HA 0.401 4.740 4.340 -0.000 0.000 0.268 100 L C 0.989 177.948 176.870 0.148 0.000 0.997 100 L CA -0.071 54.680 54.840 -0.149 0.000 0.818 100 L CB 1.993 43.948 42.059 -0.173 0.000 1.310 100 L HN -0.356 nan 8.230 nan 0.000 0.416 101 T N 1.391 116.004 114.554 0.098 0.000 3.038 101 T HA 0.315 4.665 4.350 -0.000 0.000 0.244 101 T C 0.057 174.818 174.700 0.102 0.000 1.016 101 T CA 0.250 62.417 62.100 0.112 0.000 1.098 101 T CB 0.270 69.175 68.868 0.061 0.000 0.954 101 T HN 0.289 nan 8.240 nan 0.000 0.469 102 K N 1.192 121.642 120.400 0.083 0.000 2.477 102 K HA 0.438 4.758 4.320 -0.000 0.000 0.255 102 K C -1.633 175.009 176.600 0.070 0.000 0.952 102 K CA -0.828 55.500 56.287 0.070 0.000 0.826 102 K CB 2.492 35.021 32.500 0.049 0.000 1.331 102 K HN -0.015 nan 8.250 nan 0.000 0.437 103 L N 3.776 125.034 121.223 0.057 0.000 2.257 103 L HA 0.375 4.715 4.340 -0.000 0.000 0.290 103 L C -2.485 174.397 176.870 0.021 0.000 1.044 103 L CA -1.905 52.966 54.840 0.052 0.000 0.810 103 L CB 0.948 43.020 42.059 0.022 0.000 1.193 103 L HN 0.233 nan 8.230 nan 0.000 0.425 104 P HA 0.149 nan 4.420 nan 0.000 0.262 104 P C -1.110 176.210 177.300 0.034 0.000 1.199 104 P CA 0.411 63.505 63.100 -0.011 0.000 0.763 104 P CB 0.568 32.233 31.700 -0.058 0.000 0.790 105 T N 2.379 116.966 114.554 0.054 0.000 2.912 105 T HA 0.483 4.833 4.350 -0.000 0.000 0.299 105 T C -1.112 173.655 174.700 0.111 0.000 1.052 105 T CA -0.539 61.629 62.100 0.113 0.000 0.996 105 T CB 1.718 70.642 68.868 0.093 0.000 1.070 105 T HN 0.135 nan 8.240 nan 0.000 0.465 106 V N 3.989 123.945 119.914 0.070 0.000 2.638 106 V HA 0.830 4.949 4.120 -0.000 0.000 0.306 106 V C -1.937 174.247 176.094 0.149 0.000 1.052 106 V CA -0.855 61.407 62.300 -0.064 0.000 0.885 106 V CB 1.394 32.742 31.823 -0.793 0.000 0.999 106 V HN 0.799 nan 8.190 nan 0.000 0.424 107 F N 8.242 128.195 119.950 0.004 0.000 2.507 107 F HA 0.665 5.192 4.527 -0.000 0.000 0.328 107 F C -0.805 174.941 175.800 -0.090 0.000 1.136 107 F CA -1.578 56.423 58.000 0.002 0.000 0.930 107 F CB 1.524 40.549 39.000 0.042 0.000 1.166 107 F HN 0.346 nan 8.300 nan 0.000 0.436 108 I N 5.423 125.658 120.570 -0.558 0.000 2.308 108 I HA 0.165 4.335 4.170 -0.000 0.000 0.293 108 I C 0.088 175.345 176.117 -1.433 0.000 1.078 108 I CA -0.248 60.577 61.300 -0.792 0.000 1.292 108 I CB 0.137 37.894 38.000 -0.406 0.000 1.423 108 I HN 0.499 nan 8.210 nan 0.000 0.493 109 D N 5.992 125.569 120.400 -1.372 0.000 2.225 109 D HA 0.394 5.034 4.640 -0.000 0.000 0.249 109 D C -0.636 175.191 176.300 -0.788 0.000 1.052 109 D CA -0.001 53.311 54.000 -1.146 0.000 0.909 109 D CB 0.785 41.207 40.800 -0.630 0.000 1.186 109 D HN 0.468 nan 8.370 nan 0.000 0.431 110 H N -0.312 118.660 119.070 -0.164 0.000 2.821 110 H HA 0.175 4.730 4.556 -0.000 0.000 0.373 110 H C 0.331 175.628 175.328 -0.052 0.000 1.165 110 H CA -0.778 55.215 56.048 -0.091 0.000 1.154 110 H CB 1.668 31.394 29.762 -0.059 0.000 1.765 110 H HN 0.282 nan 8.280 nan 0.000 0.549 111 D N 0.020 120.469 120.400 0.081 0.000 2.218 111 D HA -0.183 4.457 4.640 -0.000 0.000 0.204 111 D C 0.748 177.051 176.300 0.004 0.000 0.976 111 D CA 1.129 55.142 54.000 0.022 0.000 0.853 111 D CB -0.101 40.700 40.800 0.002 0.000 0.939 111 D HN 0.670 nan 8.370 nan 0.000 0.481 112 D N -0.535 119.868 120.400 0.005 0.000 2.427 112 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 112 D C -0.222 176.020 176.300 -0.098 0.000 1.157 112 D CA -0.432 53.524 54.000 -0.072 0.000 0.828 112 D CB -0.685 40.057 40.800 -0.097 0.000 0.974 112 D HN -0.104 nan 8.370 nan 0.000 0.498 113 T N 0.835 115.397 114.554 0.013 0.000 2.919 113 T HA 0.164 4.513 4.350 -0.000 0.000 0.302 113 T C 0.200 174.893 174.700 -0.013 0.000 1.031 113 T CA -0.306 61.837 62.100 0.072 0.000 1.127 113 T CB 0.244 69.248 68.868 0.226 0.000 0.952 113 T HN -0.039 nan 8.240 nan 0.000 0.540 114 F N 2.241 122.190 119.950 -0.002 0.000 2.608 114 F HA 0.093 4.620 4.527 -0.000 0.000 0.380 114 F C 1.766 177.540 175.800 -0.043 0.000 1.083 114 F CA 0.002 57.964 58.000 -0.062 0.000 1.266 114 F CB 0.527 39.429 39.000 -0.162 0.000 1.076 114 F HN 0.603 nan 8.300 nan 0.000 0.574 115 K N 1.182 121.661 120.400 0.133 0.000 2.103 115 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 115 K C 1.796 178.436 176.600 0.067 0.000 1.048 115 K CA 1.921 58.256 56.287 0.079 0.000 0.930 115 K CB -0.112 32.415 32.500 0.044 0.000 0.716 115 K HN 0.758 nan 8.250 nan 0.000 0.444 116 T N 1.423 116.008 114.554 0.052 0.000 2.720 116 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 116 T C 1.575 176.270 174.700 -0.008 0.000 1.037 116 T CA 1.373 63.458 62.100 -0.026 0.000 1.144 116 T CB -0.183 68.583 68.868 -0.170 0.000 0.864 116 T HN 0.153 nan 8.240 nan 0.000 0.444 117 L N 1.110 122.328 121.223 -0.009 0.000 2.072 117 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 117 L C 2.308 179.179 176.870 0.001 0.000 1.079 117 L CA 1.685 56.512 54.840 -0.021 0.000 0.752 117 L CB -0.607 41.442 42.059 -0.017 0.000 0.906 117 L HN 0.245 nan 8.230 nan 0.000 0.436 118 E N -0.531 119.690 120.200 0.035 0.000 2.085 118 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 118 E C 1.822 178.423 176.600 0.002 0.000 0.994 118 E CA 1.413 57.823 56.400 0.016 0.000 0.801 118 E CB -0.166 29.591 29.700 0.095 0.000 0.743 118 E HN 0.521 nan 8.360 nan 0.000 0.453 119 N N 0.328 119.050 118.700 0.036 0.000 2.188 119 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 119 N C 1.540 177.074 175.510 0.038 0.000 1.018 119 N CA 0.755 53.823 53.050 0.031 0.000 0.858 119 N CB -0.417 38.095 38.487 0.042 0.000 0.989 119 N HN 0.115 nan 8.380 nan 0.000 0.426 120 F N 1.543 121.452 119.950 -0.068 0.000 2.134 120 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 120 F C 2.032 177.803 175.800 -0.049 0.000 1.097 120 F CA 0.973 58.941 58.000 -0.054 0.000 1.264 120 F CB -0.219 38.745 39.000 -0.060 0.000 1.001 120 F HN -0.082 nan 8.300 nan 0.000 0.479 121 I N 0.256 120.797 120.570 -0.048 0.000 2.179 121 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 121 I C 2.253 178.320 176.117 -0.084 0.000 1.088 121 I CA 1.765 62.984 61.300 -0.135 0.000 1.357 121 I CB -0.559 37.174 38.000 -0.445 0.000 1.051 121 I HN 0.185 nan 8.210 nan 0.000 0.409 122 E N 0.551 120.698 120.200 -0.087 0.000 2.051 122 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 122 E C 2.115 178.654 176.600 -0.102 0.000 0.991 122 E CA 1.263 57.629 56.400 -0.058 0.000 0.799 122 E CB -0.102 29.581 29.700 -0.028 0.000 0.748 122 E HN 0.526 nan 8.360 nan 0.000 0.449 123 E N 0.021 120.130 120.200 -0.153 0.000 2.107 123 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 123 E C 2.297 178.712 176.600 -0.309 0.000 0.982 123 E CA 1.578 57.858 56.400 -0.199 0.000 0.809 123 E CB -0.057 29.539 29.700 -0.173 0.000 0.756 123 E HN 0.349 nan 8.360 nan 0.000 0.459 124 T N -0.616 113.684 114.554 -0.423 0.000 2.951 124 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 124 T C 2.141 176.664 174.700 -0.295 0.000 1.073 124 T CA 1.176 62.977 62.100 -0.499 0.000 1.134 124 T CB -0.229 68.355 68.868 -0.472 0.000 0.884 124 T HN 0.134 nan 8.240 nan 0.000 0.479 125 S N 2.212 117.839 115.700 -0.121 0.000 2.370 125 S HA -0.057 4.413 4.470 -0.000 0.000 0.226 125 S C 2.063 176.604 174.600 -0.098 0.000 1.033 125 S CA 1.046 59.209 58.200 -0.063 0.000 1.011 125 S CB -0.995 62.205 63.200 0.000 0.000 0.852 125 S HN 0.556 nan 8.310 nan 0.000 0.457 126 L N 1.071 122.216 121.223 -0.130 0.000 2.027 126 L HA 0.003 4.343 4.340 -0.000 0.000 0.206 126 L C 3.111 179.875 176.870 -0.178 0.000 1.074 126 L CA 1.702 56.468 54.840 -0.123 0.000 0.745 126 L CB -0.571 41.422 42.059 -0.110 0.000 0.898 126 L HN 0.350 nan 8.230 nan 0.000 0.433 127 R N -0.250 120.066 120.500 -0.306 0.000 2.083 127 R HA -0.217 4.123 4.340 -0.000 0.000 0.237 127 R C 1.726 177.815 176.300 -0.351 0.000 1.137 127 R CA 1.880 57.728 56.100 -0.419 0.000 0.951 127 R CB -0.191 29.683 30.300 -0.710 0.000 0.851 127 R HN 0.265 nan 8.270 nan 0.000 0.434 128 Y N 0.269 120.475 120.300 -0.157 0.000 2.468 128 Y HA 0.313 4.863 4.550 -0.001 0.000 0.268 128 Y C 0.436 176.256 175.900 -0.134 0.000 1.177 128 Y CA -0.219 57.780 58.100 -0.168 0.000 1.265 128 Y CB 0.413 38.731 38.460 -0.238 0.000 1.103 128 Y HN -0.014 nan 8.280 nan 0.000 0.522 129 S N 0.793 116.493 115.700 -0.000 0.000 3.706 129 S HA -0.173 4.297 4.470 -0.000 0.000 0.363 129 S C -0.071 174.536 174.600 0.012 0.000 0.999 129 S CA 0.114 58.315 58.200 0.003 0.000 1.143 129 S CB -1.938 61.270 63.200 0.014 0.000 0.902 129 S HN 0.322 nan 8.310 nan 0.000 0.476 130 L N 0.805 122.024 121.223 -0.006 0.000 2.375 130 L HA 0.489 4.828 4.340 -0.000 0.000 0.271 130 L C 0.851 177.731 176.870 0.018 0.000 1.107 130 L CA -0.283 54.547 54.840 -0.016 0.000 0.806 130 L CB 1.258 43.280 42.059 -0.062 0.000 1.146 130 L HN 0.296 nan 8.230 nan 0.000 0.447 131 S N 3.065 118.784 115.700 0.032 0.000 2.543 131 S HA 0.342 4.812 4.470 -0.000 0.000 0.299 131 S C -0.573 174.084 174.600 0.096 0.000 1.125 131 S CA -0.692 57.544 58.200 0.060 0.000 1.098 131 S CB -0.030 63.200 63.200 0.050 0.000 1.063 131 S HN 0.375 nan 8.310 nan 0.000 0.493 132 L N 6.720 128.014 121.223 0.118 0.000 2.281 132 L HA 0.490 4.829 4.340 -0.000 0.000 0.285 132 L C -0.805 176.208 176.870 0.237 0.000 1.074 132 L CA -0.412 54.529 54.840 0.168 0.000 0.817 132 L CB 0.565 42.709 42.059 0.142 0.000 1.168 132 L HN 0.684 nan 8.230 nan 0.000 0.434 133 Y N 4.758 125.154 120.300 0.161 0.000 2.326 133 Y HA 0.470 5.019 4.550 -0.001 0.000 0.337 133 Y C -0.398 175.578 175.900 0.125 0.000 1.023 133 Y CA -0.321 57.903 58.100 0.206 0.000 1.143 133 Y CB 0.889 39.581 38.460 0.387 0.000 1.183 133 Y HN 0.663 nan 8.280 nan 0.000 0.485 134 E N 3.892 123.930 120.200 -0.271 0.000 2.183 134 E HA 0.292 4.642 4.350 -0.000 0.000 0.271 134 E C -0.735 175.529 176.600 -0.559 0.000 0.919 134 E CA -0.890 55.373 56.400 -0.228 0.000 0.781 134 E CB 1.625 31.296 29.700 -0.048 0.000 1.140 134 E HN 0.759 nan 8.360 nan 0.000 0.402 135 S N 1.650 117.123 115.700 -0.378 0.000 2.624 135 S HA 0.062 4.531 4.470 -0.000 0.000 0.263 135 S C 0.131 174.561 174.600 -0.283 0.000 1.287 135 S CA -0.798 57.231 58.200 -0.284 0.000 0.990 135 S CB 0.949 64.002 63.200 -0.245 0.000 0.950 135 S HN 0.494 nan 8.310 nan 0.000 0.561 136 D N 0.246 120.531 120.400 -0.191 0.000 2.338 136 D HA 0.108 4.748 4.640 -0.000 0.000 0.255 136 D C 1.407 177.624 176.300 -0.139 0.000 1.237 136 D CA -0.510 53.403 54.000 -0.145 0.000 0.883 136 D CB 0.679 41.424 40.800 -0.093 0.000 1.087 136 D HN 0.732 nan 8.370 nan 0.000 0.485 137 R N 2.631 123.049 120.500 -0.136 0.000 2.235 137 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 137 R C 0.147 176.416 176.300 -0.051 0.000 1.059 137 R CA 0.860 56.890 56.100 -0.117 0.000 0.997 137 R CB 0.199 30.444 30.300 -0.092 0.000 0.884 137 R HN 0.190 nan 8.270 nan 0.000 0.462 138 D N 0.739 121.111 120.400 -0.046 0.000 2.339 138 D HA 0.002 4.642 4.640 -0.000 0.000 0.217 138 D C -0.327 175.959 176.300 -0.024 0.000 1.050 138 D CA 0.310 54.294 54.000 -0.028 0.000 0.856 138 D CB 0.373 41.157 40.800 -0.026 0.000 0.922 138 D HN 0.251 nan 8.370 nan 0.000 0.518 139 K N 0.926 121.307 120.400 -0.031 0.000 2.201 139 K HA 0.231 4.551 4.320 -0.000 0.000 0.278 139 K C -0.704 175.891 176.600 -0.009 0.000 1.027 139 K CA -0.460 55.813 56.287 -0.023 0.000 0.909 139 K CB 1.129 33.610 32.500 -0.031 0.000 1.062 139 K HN -0.142 nan 8.250 nan 0.000 0.465 140 C N 5.500 124.796 119.300 -0.006 0.000 2.383 140 C HA 0.233 4.693 4.460 -0.000 0.000 0.350 140 C C -0.346 174.642 174.990 -0.003 0.000 1.173 140 C CA -0.422 58.596 59.018 -0.001 0.000 1.645 140 C CB -1.875 25.861 27.740 -0.007 0.000 2.221 140 C HN 0.857 nan 8.230 nan 0.000 0.528 141 E N 1.046 121.249 120.200 0.005 0.000 2.392 141 E HA 0.527 4.877 4.350 -0.000 0.000 0.279 141 E C -0.643 175.959 176.600 0.003 0.000 0.964 141 E CA -0.668 55.728 56.400 -0.007 0.000 0.777 141 E CB 1.009 30.699 29.700 -0.016 0.000 1.249 141 E HN 0.464 nan 8.360 nan 0.000 0.449 142 T N -1.154 113.385 114.554 -0.025 0.000 2.813 142 T HA 0.099 4.449 4.350 -0.000 0.000 0.297 142 T C 1.205 175.885 174.700 -0.033 0.000 1.036 142 T CA -0.439 61.642 62.100 -0.031 0.000 1.044 142 T CB 0.906 69.727 68.868 -0.079 0.000 0.993 142 T HN 0.714 nan 8.240 nan 0.000 0.535 143 M N 1.046 120.652 119.600 0.011 0.000 2.117 143 M HA -0.051 4.428 4.480 -0.000 0.000 0.262 143 M C 2.431 178.608 176.300 -0.205 0.000 1.065 143 M CA 2.065 57.410 55.300 0.075 0.000 1.114 143 M CB -0.856 31.927 32.600 0.304 0.000 1.361 143 M HN 0.930 nan 8.290 nan 0.000 0.408 144 A N 0.167 122.552 122.820 -0.725 0.000 1.908 144 A HA -0.232 4.087 4.320 -0.000 0.000 0.218 144 A C 1.827 179.161 177.584 -0.417 0.000 1.181 144 A CA 2.132 53.444 52.037 -1.210 0.000 0.627 144 A CB -0.833 17.363 19.000 -1.340 0.000 0.818 144 A HN 0.678 nan 8.150 nan 0.000 0.445 145 E N -0.523 119.535 120.200 -0.236 0.000 2.106 145 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 145 E C 2.310 178.887 176.600 -0.038 0.000 0.984 145 E CA 0.821 57.162 56.400 -0.099 0.000 0.806 145 E CB -0.260 29.396 29.700 -0.072 0.000 0.750 145 E HN 0.627 nan 8.360 nan 0.000 0.458 146 A N 0.496 123.287 122.820 -0.048 0.000 1.933 146 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 146 A C 1.819 179.369 177.584 -0.057 0.000 1.175 146 A CA 1.104 53.105 52.037 -0.060 0.000 0.628 146 A CB -0.649 18.268 19.000 -0.137 0.000 0.814 146 A HN 0.194 nan 8.150 nan 0.000 0.444 147 F N -0.268 119.690 119.950 0.013 0.000 2.325 147 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 147 F C 2.305 178.214 175.800 0.181 0.000 1.090 147 F CA 1.465 59.553 58.000 0.145 0.000 1.392 147 F CB -0.118 39.046 39.000 0.273 0.000 1.053 147 F HN 0.298 nan 8.300 nan 0.000 0.521 148 E N 0.143 120.482 120.200 0.231 0.000 2.077 148 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 148 E C 2.094 178.762 176.600 0.113 0.000 0.989 148 E CA 2.074 58.571 56.400 0.162 0.000 0.800 148 E CB -0.580 29.166 29.700 0.077 0.000 0.746 148 E HN 0.201 nan 8.360 nan 0.000 0.452 149 T N 0.345 114.953 114.554 0.089 0.000 2.746 149 T HA -0.148 4.201 4.350 -0.000 0.000 0.267 149 T C 1.479 176.209 174.700 0.050 0.000 1.039 149 T CA 1.333 63.475 62.100 0.070 0.000 1.142 149 T CB -0.590 68.331 68.868 0.088 0.000 0.866 149 T HN 0.289 nan 8.240 nan 0.000 0.444 150 F N 1.660 121.528 119.950 -0.136 0.000 2.126 150 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 150 F C 1.936 177.666 175.800 -0.116 0.000 1.096 150 F CA 1.079 58.861 58.000 -0.363 0.000 1.255 150 F CB -0.443 38.245 39.000 -0.519 0.000 0.997 150 F HN 0.040 nan 8.300 nan 0.000 0.479 151 L N -0.131 121.068 121.223 -0.040 0.000 2.201 151 L HA -0.200 4.139 4.340 -0.000 0.000 0.212 151 L C 2.300 179.096 176.870 -0.123 0.000 1.105 151 L CA 1.373 56.160 54.840 -0.087 0.000 0.775 151 L CB -0.777 41.361 42.059 0.132 0.000 0.913 151 L HN 0.346 nan 8.230 nan 0.000 0.440 152 Q N -0.974 118.765 119.800 -0.102 0.000 2.123 152 Q HA -0.123 4.217 4.340 -0.000 0.000 0.199 152 Q C 2.268 178.145 176.000 -0.206 0.000 0.966 152 Q CA 1.001 56.742 55.803 -0.104 0.000 0.845 152 Q CB 0.109 28.815 28.738 -0.054 0.000 0.907 152 Q HN 0.355 nan 8.270 nan 0.000 0.439 153 V N -0.140 119.572 119.914 -0.336 0.000 2.427 153 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 153 V C 0.531 176.108 176.094 -0.862 0.000 1.051 153 V CA 1.338 63.277 62.300 -0.602 0.000 1.048 153 V CB -0.149 31.241 31.823 -0.722 0.000 0.666 153 V HN 0.195 nan 8.190 nan 0.000 0.456 154 F N 0.902 120.588 119.950 -0.440 0.000 2.449 154 F HA 0.405 4.932 4.527 -0.000 0.000 0.329 154 F C -1.634 173.990 175.800 -0.294 0.000 1.245 154 F CA -2.382 55.376 58.000 -0.403 0.000 1.193 154 F CB 0.810 39.421 39.000 -0.647 0.000 1.425 154 F HN 0.056 nan 8.300 nan 0.000 0.544 155 P HA -0.152 nan 4.420 nan 0.000 0.237 155 P C 1.066 178.384 177.300 0.030 0.000 1.178 155 P CA 1.023 64.115 63.100 -0.014 0.000 0.766 155 P CB 0.240 31.929 31.700 -0.018 0.000 0.876 156 E N -0.020 120.207 120.200 0.046 0.000 2.347 156 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 156 E C -0.025 176.616 176.600 0.067 0.000 1.008 156 E CA 0.513 56.952 56.400 0.066 0.000 0.852 156 E CB -1.374 28.370 29.700 0.073 0.000 0.783 156 E HN 0.064 nan 8.360 nan 0.000 0.505 157 T N 2.617 117.191 114.554 0.035 0.000 2.829 157 T HA 0.087 4.437 4.350 -0.000 0.000 0.293 157 T C 0.718 175.446 174.700 0.046 0.000 0.970 157 T CA -0.059 62.050 62.100 0.015 0.000 1.168 157 T CB 0.988 69.838 68.868 -0.029 0.000 0.911 157 T HN 0.033 nan 8.240 nan 0.000 0.535 158 K N 1.033 121.451 120.400 0.030 0.000 2.399 158 K HA 0.450 4.770 4.320 -0.000 0.000 0.196 158 K C 0.519 177.057 176.600 -0.103 0.000 1.103 158 K CA 0.106 56.421 56.287 0.046 0.000 0.986 158 K CB 0.945 33.530 32.500 0.141 0.000 0.952 158 K HN 0.659 nan 8.250 nan 0.000 0.541 159 A N 0.995 123.672 122.820 -0.238 0.000 2.574 159 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 159 A C -1.351 176.095 177.584 -0.229 0.000 1.062 159 A CA -0.661 51.186 52.037 -0.317 0.000 0.686 159 A CB 1.292 19.780 19.000 -0.854 0.000 1.285 159 A HN 0.065 nan 8.150 nan 0.000 0.403 160 I N 1.646 122.107 120.570 -0.181 0.000 2.533 160 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 160 I C -0.629 175.357 176.117 -0.218 0.000 1.056 160 I CA -1.079 60.079 61.300 -0.236 0.000 1.057 160 I CB 2.154 39.901 38.000 -0.421 0.000 1.240 160 I HN 0.367 nan 8.210 nan 0.000 0.423 161 V N 6.914 126.636 119.914 -0.319 0.000 2.530 161 V HA 0.374 4.493 4.120 -0.000 0.000 0.282 161 V C 0.087 175.846 176.094 -0.559 0.000 1.048 161 V CA 0.001 62.029 62.300 -0.453 0.000 0.997 161 V CB 1.136 32.544 31.823 -0.691 0.000 0.987 161 V HN 0.434 nan 8.190 nan 0.000 0.477 162 I N 2.960 123.283 120.570 -0.410 0.000 2.533 162 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 162 I C 0.973 176.921 176.117 -0.281 0.000 1.056 162 I CA -0.513 60.592 61.300 -0.324 0.000 1.057 162 I CB 2.050 39.910 38.000 -0.233 0.000 1.240 162 I HN 0.664 nan 8.210 nan 0.000 0.423 163 G N 6.269 114.932 108.800 -0.229 0.000 3.474 163 G HA2 0.228 4.188 3.960 -0.000 0.000 0.269 163 G HA3 0.228 4.188 3.960 -0.000 0.000 0.269 163 G C 0.173 174.978 174.900 -0.157 0.000 1.339 163 G CA -0.004 44.985 45.100 -0.186 0.000 1.258 163 G HN 0.532 nan 8.290 nan 0.000 0.560 164 I N -0.065 120.412 120.570 -0.156 0.000 2.720 164 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 164 I C 0.111 176.134 176.117 -0.157 0.000 1.090 164 I CA -0.831 60.393 61.300 -0.127 0.000 1.384 164 I CB 0.748 38.675 38.000 -0.121 0.000 1.420 164 I HN 0.073 nan 8.210 nan 0.000 0.575 165 R N 4.327 124.760 120.500 -0.113 0.000 2.854 165 R HA 0.343 4.683 4.340 -0.000 0.000 0.271 165 R C 0.605 176.874 176.300 -0.052 0.000 0.996 165 R CA -0.811 55.223 56.100 -0.109 0.000 0.961 165 R CB 1.110 31.381 30.300 -0.049 0.000 1.182 165 R HN 0.615 nan 8.270 nan 0.000 0.479 166 H N 0.390 119.468 119.070 0.013 0.000 2.456 166 H HA -0.100 4.456 4.556 -0.000 0.000 0.296 166 H C 1.484 176.838 175.328 0.043 0.000 1.079 166 H CA 2.132 58.196 56.048 0.027 0.000 1.322 166 H CB 0.099 29.883 29.762 0.037 0.000 1.388 166 H HN 0.656 nan 8.280 nan 0.000 0.538 167 T N -1.611 113.038 114.554 0.157 0.000 3.118 167 T HA -0.031 4.319 4.350 -0.000 0.000 0.260 167 T C 0.592 175.348 174.700 0.093 0.000 1.139 167 T CA -0.036 62.131 62.100 0.111 0.000 1.085 167 T CB 0.159 69.077 68.868 0.083 0.000 0.934 167 T HN 0.035 nan 8.240 nan 0.000 0.518 168 D N 2.734 123.185 120.400 0.084 0.000 2.358 168 D HA 0.305 4.945 4.640 -0.000 0.000 0.244 168 D C -2.501 173.864 176.300 0.109 0.000 1.163 168 D CA -1.940 52.104 54.000 0.074 0.000 0.945 168 D CB 0.504 41.331 40.800 0.045 0.000 1.152 168 D HN 0.108 nan 8.370 nan 0.000 0.451 169 P HA -0.004 nan 4.420 nan 0.000 0.265 169 P C 0.039 177.474 177.300 0.226 0.000 1.193 169 P CA -0.019 63.137 63.100 0.094 0.000 0.765 169 P CB 0.109 31.786 31.700 -0.040 0.000 0.823 170 F N 1.312 121.318 119.950 0.094 0.000 3.084 170 F HA -0.174 4.353 4.527 -0.000 0.000 0.286 170 F C 1.552 177.489 175.800 0.228 0.000 0.855 170 F CA 1.345 59.432 58.000 0.146 0.000 1.091 170 F CB -2.352 36.720 39.000 0.120 0.000 1.177 170 F HN 0.508 nan 8.300 nan 0.000 0.542 171 G N -0.640 108.352 108.800 0.319 0.000 2.838 171 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.210 171 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.210 171 G C 1.277 176.344 174.900 0.279 0.000 1.153 171 G CA 0.568 45.795 45.100 0.212 0.000 0.778 171 G HN 0.507 nan 8.290 nan 0.000 0.539 172 E N 1.152 121.503 120.200 0.251 0.000 2.085 172 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 172 E C 2.146 178.815 176.600 0.115 0.000 0.994 172 E CA 1.381 57.865 56.400 0.139 0.000 0.801 172 E CB -0.195 29.553 29.700 0.081 0.000 0.743 172 E HN 0.706 nan 8.360 nan 0.000 0.453 173 H N -0.078 119.020 119.070 0.047 0.000 2.535 173 H HA 0.100 4.656 4.556 -0.000 0.000 0.273 173 H C 0.837 176.205 175.328 0.067 0.000 0.983 173 H CA -0.047 56.009 56.048 0.013 0.000 1.238 173 H CB -0.429 29.300 29.762 -0.054 0.000 1.412 173 H HN 0.105 nan 8.280 nan 0.000 0.562 174 L N 1.808 122.829 121.223 -0.337 0.000 2.473 174 L HA 0.164 4.503 4.340 -0.000 0.000 0.268 174 L C 0.342 177.179 176.870 -0.055 0.000 1.215 174 L CA 0.104 54.719 54.840 -0.375 0.000 0.823 174 L CB 0.481 42.337 42.059 -0.339 0.000 1.099 174 L HN 0.075 nan 8.230 nan 0.000 0.483 175 K N 1.687 122.034 120.400 -0.088 0.000 2.385 175 K HA 0.351 4.670 4.320 -0.000 0.000 0.248 175 K C -2.014 174.572 176.600 -0.023 0.000 0.955 175 K CA -1.908 54.375 56.287 -0.006 0.000 0.816 175 K CB 1.631 34.139 32.500 0.013 0.000 1.250 175 K HN 0.067 nan 8.250 nan 0.000 0.434 176 P HA 0.003 nan 4.420 nan 0.000 0.218 176 P C -0.120 177.196 177.300 0.026 0.000 1.148 176 P CA 1.188 64.294 63.100 0.009 0.000 0.822 176 P CB 0.319 32.039 31.700 0.034 0.000 0.784 177 I N -0.421 120.190 120.570 0.068 0.000 2.478 177 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 177 I C -0.492 175.745 176.117 0.200 0.000 1.042 177 I CA -0.655 60.731 61.300 0.144 0.000 1.067 177 I CB 1.810 39.923 38.000 0.187 0.000 1.233 177 I HN -0.072 nan 8.210 nan 0.000 0.431 178 Q N 4.720 124.650 119.800 0.216 0.000 2.594 178 Q HA 0.485 4.825 4.340 -0.000 0.000 0.278 178 Q C -1.718 174.225 176.000 -0.095 0.000 0.961 178 Q CA -1.288 54.596 55.803 0.134 0.000 0.844 178 Q CB 1.951 30.694 28.738 0.009 0.000 1.475 178 Q HN 0.344 nan 8.270 nan 0.000 0.389 179 K N 1.313 121.510 120.400 -0.339 0.000 2.319 179 K HA 0.181 4.501 4.320 -0.000 0.000 0.265 179 K C 0.167 176.517 176.600 -0.418 0.000 1.000 179 K CA 0.567 56.524 56.287 -0.549 0.000 0.943 179 K CB 0.519 32.710 32.500 -0.515 0.000 0.950 179 K HN 0.764 nan 8.250 nan 0.000 0.485 180 T N -0.809 113.413 114.554 -0.553 0.000 2.734 180 T HA -0.031 4.319 4.350 -0.000 0.000 0.314 180 T C 0.259 174.759 174.700 -0.333 0.000 1.057 180 T CA -0.743 61.006 62.100 -0.584 0.000 1.047 180 T CB 0.402 68.796 68.868 -0.790 0.000 0.991 180 T HN 0.667 nan 8.240 nan 0.000 0.540 181 D N -0.419 119.823 120.400 -0.263 0.000 2.466 181 D HA 0.505 5.145 4.640 -0.000 0.000 0.262 181 D C 1.516 177.831 176.300 0.025 0.000 1.177 181 D CA -0.323 53.626 54.000 -0.085 0.000 1.035 181 D CB 0.272 41.051 40.800 -0.034 0.000 1.105 181 D HN 0.577 nan 8.370 nan 0.000 0.551 182 A N 0.274 123.119 122.820 0.042 0.000 1.940 182 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 182 A C 1.714 179.350 177.584 0.087 0.000 1.176 182 A CA 1.827 53.893 52.037 0.048 0.000 0.631 182 A CB -1.113 17.905 19.000 0.030 0.000 0.814 182 A HN 0.737 nan 8.150 nan 0.000 0.446 183 N N -2.089 116.696 118.700 0.142 0.000 2.461 183 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 183 N C -0.186 175.352 175.510 0.046 0.000 1.134 183 N CA 0.058 53.165 53.050 0.095 0.000 0.878 183 N CB -0.163 38.379 38.487 0.090 0.000 0.972 183 N HN 0.595 nan 8.380 nan 0.000 0.456 184 W N 1.361 122.635 121.300 -0.044 0.000 2.578 184 W HA 0.511 5.170 4.660 -0.000 0.000 0.353 184 W C -2.001 174.490 176.519 -0.045 0.000 1.088 184 W CA -1.795 55.519 57.345 -0.052 0.000 1.235 184 W CB 0.465 29.815 29.460 -0.183 0.000 1.362 184 W HN -0.157 nan 8.180 nan 0.000 0.592 185 P HA -0.045 nan 4.420 nan 0.000 0.270 185 P C -0.559 176.819 177.300 0.131 0.000 1.223 185 P CA -0.012 63.234 63.100 0.244 0.000 0.785 185 P CB 0.588 32.540 31.700 0.420 0.000 0.923 186 D N 1.649 122.123 120.400 0.123 0.000 2.365 186 D HA 0.340 4.980 4.640 -0.000 0.000 0.237 186 D C -0.925 175.450 176.300 0.125 0.000 1.190 186 D CA 0.011 54.017 54.000 0.009 0.000 0.867 186 D CB -0.678 40.144 40.800 0.037 0.000 1.050 186 D HN 0.232 nan 8.370 nan 0.000 0.491 187 F N 1.288 121.213 119.950 -0.042 0.000 2.779 187 F HA 0.462 4.989 4.527 -0.000 0.000 0.316 187 F C -1.633 174.048 175.800 -0.198 0.000 1.164 187 F CA -1.480 56.482 58.000 -0.064 0.000 0.924 187 F CB 0.677 39.668 39.000 -0.014 0.000 1.348 187 F HN -0.037 nan 8.300 nan 0.000 0.467 188 Y N 1.750 122.078 120.300 0.046 0.000 2.336 188 Y HA 0.497 5.047 4.550 -0.001 0.000 0.335 188 Y C 0.462 176.327 175.900 -0.059 0.000 1.046 188 Y CA -0.266 57.756 58.100 -0.129 0.000 1.198 188 Y CB 0.991 39.231 38.460 -0.367 0.000 1.182 188 Y HN 0.342 nan 8.280 nan 0.000 0.502 189 R N 4.611 125.099 120.500 -0.019 0.000 2.298 189 R HA 0.364 4.703 4.340 -0.000 0.000 0.310 189 R C -1.182 175.090 176.300 -0.046 0.000 1.068 189 R CA -0.371 55.697 56.100 -0.054 0.000 0.957 189 R CB 0.459 30.645 30.300 -0.191 0.000 1.003 189 R HN 0.583 nan 8.270 nan 0.000 0.454 190 L N 3.919 125.090 121.223 -0.088 0.000 2.276 190 L HA 0.297 4.637 4.340 -0.000 0.000 0.286 190 L C -0.005 176.799 176.870 -0.110 0.000 1.024 190 L CA -0.230 54.565 54.840 -0.075 0.000 0.826 190 L CB 1.336 43.354 42.059 -0.068 0.000 1.211 190 L HN 0.512 nan 8.230 nan 0.000 0.422 191 Q N 4.600 124.347 119.800 -0.089 0.000 2.849 191 Q HA 0.245 4.584 4.340 -0.000 0.000 0.289 191 Q C -1.981 173.969 176.000 -0.085 0.000 1.012 191 Q CA -1.504 54.224 55.803 -0.125 0.000 0.899 191 Q CB 1.593 30.240 28.738 -0.152 0.000 1.235 191 Q HN 0.386 nan 8.270 nan 0.000 0.457 192 P HA 0.005 nan 4.420 nan 0.000 0.255 192 P C 0.293 177.601 177.300 0.014 0.000 1.248 192 P CA 0.178 63.288 63.100 0.017 0.000 0.807 192 P CB 0.367 32.080 31.700 0.022 0.000 1.150 193 L N -1.266 119.866 121.223 -0.152 0.000 2.728 193 L HA 0.268 4.608 4.340 -0.000 0.000 0.238 193 L C 1.655 178.362 176.870 -0.271 0.000 1.143 193 L CA 0.346 54.982 54.840 -0.339 0.000 0.937 193 L CB -0.582 41.198 42.059 -0.464 0.000 1.225 193 L HN -0.186 nan 8.230 nan 0.000 0.507 194 L N -0.177 120.929 121.223 -0.195 0.000 2.079 194 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 194 L C 2.296 179.070 176.870 -0.160 0.000 1.081 194 L CA 1.390 56.029 54.840 -0.335 0.000 0.752 194 L CB -0.679 41.011 42.059 -0.615 0.000 0.896 194 L HN 0.549 nan 8.230 nan 0.000 0.433 195 H N -3.187 115.943 119.070 0.099 0.000 2.547 195 H HA -0.046 4.510 4.556 -0.000 0.000 0.266 195 H C -0.071 175.339 175.328 0.136 0.000 0.988 195 H CA -0.468 55.677 56.048 0.162 0.000 1.147 195 H CB -0.594 29.227 29.762 0.098 0.000 1.365 195 H HN 0.179 nan 8.280 nan 0.000 0.589 196 W N 3.890 124.948 121.300 -0.402 0.000 2.238 196 W HA 0.164 4.824 4.660 -0.000 0.000 0.321 196 W C 0.389 176.834 176.519 -0.123 0.000 1.293 196 W CA -0.315 56.877 57.345 -0.254 0.000 1.204 196 W CB 0.555 29.826 29.460 -0.314 0.000 1.167 196 W HN 0.328 nan 8.180 nan 0.000 0.553 197 N N 1.212 119.968 118.700 0.093 0.000 2.518 197 N HA 0.358 5.098 4.740 -0.000 0.000 0.284 197 N C 0.373 175.917 175.510 0.057 0.000 1.230 197 N CA -0.721 52.372 53.050 0.072 0.000 0.941 197 N CB 0.364 38.886 38.487 0.059 0.000 1.219 197 N HN 0.285 nan 8.380 nan 0.000 0.560 198 L N -0.148 121.089 121.223 0.023 0.000 2.079 198 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 198 L C 2.113 178.981 176.870 -0.004 0.000 1.081 198 L CA 2.131 56.924 54.840 -0.079 0.000 0.752 198 L CB -1.316 40.748 42.059 0.009 0.000 0.896 198 L HN 0.829 nan 8.230 nan 0.000 0.433 199 A N -0.592 122.354 122.820 0.210 0.000 1.933 199 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 199 A C 2.038 179.807 177.584 0.308 0.000 1.175 199 A CA 2.034 54.327 52.037 0.427 0.000 0.628 199 A CB -0.933 18.295 19.000 0.380 0.000 0.814 199 A HN 0.684 nan 8.150 nan 0.000 0.444 200 N N 0.070 118.869 118.700 0.166 0.000 2.142 200 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 200 N C 1.511 177.196 175.510 0.293 0.000 1.023 200 N CA 1.298 54.422 53.050 0.124 0.000 0.852 200 N CB -0.194 38.203 38.487 -0.152 0.000 0.998 200 N HN 0.341 nan 8.380 nan 0.000 0.424 201 I N 0.344 121.051 120.570 0.229 0.000 2.127 201 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 201 I C 1.799 177.904 176.117 -0.020 0.000 1.075 201 I CA 1.542 62.874 61.300 0.054 0.000 1.334 201 I CB -1.142 36.680 38.000 -0.296 0.000 1.040 201 I HN 0.356 nan 8.210 nan 0.000 0.405 202 W N 0.671 121.890 121.300 -0.134 0.000 2.388 202 W HA -0.184 4.476 4.660 -0.000 0.000 0.294 202 W C 3.077 179.242 176.519 -0.590 0.000 1.212 202 W CA 0.835 57.916 57.345 -0.440 0.000 1.271 202 W CB -0.565 28.451 29.460 -0.740 0.000 1.126 202 W HN 0.052 nan 8.180 nan 0.000 0.535 203 S N 0.463 116.016 115.700 -0.245 0.000 2.353 203 S HA -0.288 4.182 4.470 -0.000 0.000 0.222 203 S C 1.744 176.487 174.600 0.239 0.000 1.035 203 S CA 1.748 59.989 58.200 0.069 0.000 1.025 203 S CB -0.697 62.754 63.200 0.418 0.000 0.902 203 S HN 0.245 nan 8.310 nan 0.000 0.440 204 F N 1.355 121.329 119.950 0.041 0.000 2.146 204 F HA 0.080 4.607 4.527 -0.001 0.000 0.298 204 F C 1.884 177.711 175.800 0.045 0.000 1.096 204 F CA 1.165 59.115 58.000 -0.083 0.000 1.275 204 F CB -0.604 38.346 39.000 -0.084 0.000 1.008 204 F HN 0.280 nan 8.300 nan 0.000 0.480 205 L N 0.197 121.449 121.223 0.047 0.000 2.046 205 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 205 L C 2.107 178.917 176.870 -0.101 0.000 1.077 205 L CA 1.746 56.563 54.840 -0.039 0.000 0.747 205 L CB -0.909 41.179 42.059 0.049 0.000 0.896 205 L HN 0.202 nan 8.230 nan 0.000 0.432 206 L N -2.154 119.002 121.223 -0.111 0.000 2.056 206 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 206 L C 2.470 179.294 176.870 -0.077 0.000 1.078 206 L CA 1.387 56.116 54.840 -0.186 0.000 0.749 206 L CB -0.775 41.116 42.059 -0.280 0.000 0.901 206 L HN 0.315 nan 8.230 nan 0.000 0.433 207 Y N 0.952 121.209 120.300 -0.071 0.000 2.274 207 Y HA -0.305 4.245 4.550 -0.000 0.000 0.290 207 Y C 2.880 178.720 175.900 -0.100 0.000 1.145 207 Y CA 1.503 59.605 58.100 0.005 0.000 1.203 207 Y CB -0.207 38.398 38.460 0.241 0.000 0.984 207 Y HN 0.276 nan 8.280 nan 0.000 0.533 208 S N -0.107 115.458 115.700 -0.225 0.000 2.442 208 S HA -0.213 4.256 4.470 -0.000 0.000 0.236 208 S C 1.375 175.862 174.600 -0.188 0.000 1.007 208 S CA 1.073 59.099 58.200 -0.290 0.000 0.965 208 S CB -0.602 62.394 63.200 -0.339 0.000 0.773 208 S HN 0.703 nan 8.310 nan 0.000 0.504 209 N N 0.780 119.373 118.700 -0.179 0.000 2.741 209 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 209 N C -0.931 174.638 175.510 0.099 0.000 1.112 209 N CA 1.060 54.037 53.050 -0.122 0.000 0.750 209 N CB -1.422 36.862 38.487 -0.337 0.000 1.119 209 N HN 0.616 nan 8.380 nan 0.000 0.561 210 E N 0.357 120.618 120.200 0.101 0.000 2.318 210 E HA 0.348 4.697 4.350 -0.000 0.000 0.265 210 E C -2.055 174.649 176.600 0.173 0.000 1.069 210 E CA -1.419 55.089 56.400 0.179 0.000 0.893 210 E CB 0.259 30.082 29.700 0.204 0.000 1.076 210 E HN 0.230 nan 8.360 nan 0.000 0.414 211 P HA 0.165 nan 4.420 nan 0.000 0.268 211 P C -0.269 177.295 177.300 0.440 0.000 1.204 211 P CA 0.381 63.641 63.100 0.267 0.000 0.768 211 P CB 0.469 32.305 31.700 0.227 0.000 0.842 212 I N 1.982 122.750 120.570 0.330 0.000 2.493 212 I HA 0.214 4.383 4.170 -0.000 0.000 0.298 212 I C 0.806 176.873 176.117 -0.082 0.000 0.998 212 I CA -1.105 60.323 61.300 0.214 0.000 1.137 212 I CB 1.841 39.968 38.000 0.211 0.000 1.310 212 I HN 0.385 nan 8.210 nan 0.000 0.445 213 C N 5.521 124.408 119.300 -0.688 0.000 2.590 213 C HA -0.012 4.448 4.460 -0.000 0.000 0.411 213 C C 1.818 176.669 174.990 -0.231 0.000 1.420 213 C CA -0.068 58.411 59.018 -0.899 0.000 1.643 213 C CB -0.360 26.806 27.740 -0.957 0.000 2.528 213 C HN 0.783 nan 8.230 nan 0.000 0.606 214 E N 3.132 123.253 120.200 -0.132 0.000 2.418 214 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 214 E C 1.892 178.513 176.600 0.034 0.000 1.026 214 E CA 0.714 57.156 56.400 0.069 0.000 0.862 214 E CB -0.008 29.777 29.700 0.142 0.000 0.799 214 E HN 0.827 nan 8.360 nan 0.000 0.518 215 L N -0.409 120.622 121.223 -0.320 0.000 2.079 215 L HA -0.216 4.123 4.340 -0.000 0.000 0.210 215 L C 2.150 178.958 176.870 -0.103 0.000 1.081 215 L CA 1.319 55.860 54.840 -0.498 0.000 0.752 215 L CB -0.633 40.694 42.059 -1.220 0.000 0.896 215 L HN 0.208 nan 8.230 nan 0.000 0.433 216 Y N -0.613 119.745 120.300 0.098 0.000 2.274 216 Y HA -0.260 4.290 4.550 -0.000 0.000 0.290 216 Y C 2.798 178.697 175.900 -0.002 0.000 1.145 216 Y CA 0.715 58.933 58.100 0.197 0.000 1.203 216 Y CB -0.246 38.460 38.460 0.410 0.000 0.984 216 Y HN 0.075 nan 8.280 nan 0.000 0.533 217 R N 0.094 120.726 120.500 0.219 0.000 2.152 217 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 217 R C 0.862 177.026 176.300 -0.225 0.000 1.117 217 R CA 1.513 57.578 56.100 -0.058 0.000 0.981 217 R CB -0.830 29.547 30.300 0.129 0.000 0.870 217 R HN 0.374 nan 8.270 nan 0.000 0.451 218 Y N -1.324 118.981 120.300 0.009 0.000 2.461 218 Y HA 0.307 4.856 4.550 -0.000 0.000 0.277 218 Y C 1.381 177.277 175.900 -0.006 0.000 1.182 218 Y CA 0.479 58.598 58.100 0.032 0.000 1.276 218 Y CB 0.819 39.327 38.460 0.081 0.000 1.087 218 Y HN 0.309 nan 8.280 nan 0.000 0.519 219 G N -1.281 107.558 108.800 0.066 0.000 2.192 219 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.193 219 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.193 219 G C -0.008 174.856 174.900 -0.059 0.000 0.999 219 G CA -0.744 44.331 45.100 -0.043 0.000 0.659 219 G HN 0.096 nan 8.290 nan 0.000 0.503 220 F N 1.558 121.484 119.950 -0.039 0.000 2.459 220 F HA 0.476 5.003 4.527 -0.000 0.000 0.346 220 F C 1.852 177.840 175.800 0.313 0.000 1.128 220 F CA 1.204 59.221 58.000 0.028 0.000 1.268 220 F CB 1.408 40.318 39.000 -0.151 0.000 1.161 220 F HN 0.103 nan 8.300 nan 0.000 0.583 221 T N -3.072 111.774 114.554 0.487 0.000 3.058 221 T HA 0.286 4.636 4.350 -0.000 0.000 0.278 221 T C 0.101 175.097 174.700 0.493 0.000 0.974 221 T CA -0.029 62.419 62.100 0.581 0.000 0.893 221 T CB 0.146 69.274 68.868 0.434 0.000 1.138 221 T HN 0.463 nan 8.240 nan 0.000 0.529 222 S N 0.578 116.537 115.700 0.433 0.000 2.543 222 S HA 0.638 5.107 4.470 -0.000 0.000 0.273 222 S C -1.904 172.861 174.600 0.275 0.000 1.152 222 S CA -0.846 57.542 58.200 0.314 0.000 0.910 222 S CB 1.006 64.335 63.200 0.215 0.000 1.105 222 S HN 0.384 nan 8.310 nan 0.000 0.465 223 L N 4.642 125.986 121.223 0.202 0.000 2.337 223 L HA 0.609 4.949 4.340 -0.000 0.000 0.269 223 L C 0.950 177.941 176.870 0.202 0.000 1.018 223 L CA -0.589 54.333 54.840 0.136 0.000 0.876 223 L CB 0.925 42.965 42.059 -0.032 0.000 1.236 223 L HN 0.790 nan 8.230 nan 0.000 0.436 224 G N 2.207 111.164 108.800 0.260 0.000 2.782 224 G HA2 0.247 4.207 3.960 -0.000 0.000 0.201 224 G HA3 0.247 4.207 3.960 -0.000 0.000 0.201 224 G C -0.256 174.770 174.900 0.210 0.000 1.374 224 G CA -0.590 44.631 45.100 0.201 0.000 1.039 224 G HN 0.643 nan 8.290 nan 0.000 0.576 225 N N -1.525 117.215 118.700 0.067 0.000 2.424 225 N HA 0.144 4.884 4.740 -0.000 0.000 0.257 225 N C 1.063 176.417 175.510 -0.259 0.000 1.250 225 N CA -0.075 52.922 53.050 -0.088 0.000 0.946 225 N CB 1.548 39.973 38.487 -0.102 0.000 1.175 225 N HN 0.291 nan 8.380 nan 0.000 0.477 226 V N -0.317 119.244 119.914 -0.588 0.000 2.392 226 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 226 V C 1.326 177.251 176.094 -0.282 0.000 1.059 226 V CA 1.914 63.710 62.300 -0.840 0.000 1.051 226 V CB -0.678 30.730 31.823 -0.691 0.000 0.658 226 V HN 0.680 nan 8.190 nan 0.000 0.455 227 E N -0.433 119.668 120.200 -0.165 0.000 2.479 227 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 227 E C 1.413 178.004 176.600 -0.016 0.000 1.049 227 E CA 0.309 56.667 56.400 -0.069 0.000 0.870 227 E CB 0.384 30.045 29.700 -0.067 0.000 0.944 227 E HN 0.777 nan 8.360 nan 0.000 0.492 228 E N -0.329 119.874 120.200 0.004 0.000 2.630 228 E HA 0.117 4.467 4.350 -0.000 0.000 0.218 228 E C -0.460 176.199 176.600 0.099 0.000 0.977 228 E CA 0.070 56.493 56.400 0.039 0.000 1.038 228 E CB 1.104 30.816 29.700 0.020 0.000 1.051 228 E HN -0.121 nan 8.360 nan 0.000 0.487 229 T N 1.174 115.838 114.554 0.183 0.000 2.848 229 T HA 0.553 4.903 4.350 -0.000 0.000 0.285 229 T C -0.485 174.406 174.700 0.318 0.000 0.995 229 T CA -0.481 61.804 62.100 0.307 0.000 0.970 229 T CB 1.560 70.756 68.868 0.547 0.000 0.976 229 T HN -0.030 nan 8.240 nan 0.000 0.441 230 L N 2.842 124.083 121.223 0.030 0.000 2.283 230 L HA 0.577 4.917 4.340 -0.000 0.000 0.259 230 L C -2.451 173.833 176.870 -0.976 0.000 1.027 230 L CA -3.061 51.578 54.840 -0.334 0.000 0.828 230 L CB 2.297 44.234 42.059 -0.203 0.000 1.380 230 L HN 0.339 nan 8.230 nan 0.000 0.425 231 P HA -0.053 nan 4.420 nan 0.000 0.267 231 P C -0.924 175.981 177.300 -0.658 0.000 1.201 231 P CA -0.100 62.192 63.100 -1.346 0.000 0.775 231 P CB 0.291 30.955 31.700 -1.726 0.000 0.854 232 N N 3.679 122.187 118.700 -0.319 0.000 2.468 232 N HA 0.015 4.755 4.740 -0.000 0.000 0.265 232 N C -1.341 174.236 175.510 0.112 0.000 1.199 232 N CA -1.573 51.469 53.050 -0.014 0.000 0.928 232 N CB 0.412 38.977 38.487 0.131 0.000 1.059 232 N HN 0.234 nan 8.380 nan 0.000 0.467 233 P HA -0.125 nan 4.420 nan 0.000 0.222 233 P C 0.603 177.877 177.300 -0.043 0.000 1.147 233 P CA 1.297 64.419 63.100 0.036 0.000 0.790 233 P CB 0.098 31.723 31.700 -0.125 0.000 0.780 234 H N -0.701 118.444 119.070 0.126 0.000 2.559 234 H HA 0.146 4.701 4.556 -0.000 0.000 0.273 234 H C 1.626 177.034 175.328 0.133 0.000 1.000 234 H CA 0.653 56.766 56.048 0.108 0.000 1.195 234 H CB -0.039 29.780 29.762 0.095 0.000 1.368 234 H HN 0.242 nan 8.280 nan 0.000 0.592 235 L N 0.626 122.017 121.223 0.280 0.000 2.700 235 L HA 0.145 4.485 4.340 -0.000 0.000 0.234 235 L C 1.077 178.097 176.870 0.249 0.000 1.156 235 L CA -0.135 54.894 54.840 0.316 0.000 0.946 235 L CB 0.351 42.595 42.059 0.309 0.000 1.216 235 L HN -0.064 nan 8.230 nan 0.000 0.493 236 R N 2.113 122.631 120.500 0.031 0.000 2.489 236 R HA 0.101 4.441 4.340 -0.000 0.000 0.287 236 R C -0.147 176.017 176.300 -0.227 0.000 1.053 236 R CA -0.055 55.796 56.100 -0.414 0.000 1.036 236 R CB 0.581 30.666 30.300 -0.359 0.000 0.966 236 R HN 0.068 nan 8.270 nan 0.000 0.432 237 K N 3.292 123.460 120.400 -0.387 0.000 2.270 237 K HA 0.092 4.412 4.320 -0.000 0.000 0.276 237 K C -0.592 175.894 176.600 -0.189 0.000 1.023 237 K CA -0.262 55.843 56.287 -0.303 0.000 0.955 237 K CB 0.768 32.980 32.500 -0.481 0.000 0.975 237 K HN 0.677 nan 8.250 nan 0.000 0.471 238 D N 0.223 120.565 120.400 -0.096 0.000 2.626 238 D HA 0.191 4.830 4.640 -0.000 0.000 0.278 238 D C 0.141 176.415 176.300 -0.044 0.000 1.211 238 D CA -0.824 53.133 54.000 -0.072 0.000 0.903 238 D CB 0.744 41.514 40.800 -0.050 0.000 1.408 238 D HN 0.020 nan 8.370 nan 0.000 0.454 239 K N -0.111 120.266 120.400 -0.037 0.000 2.167 239 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 239 K C 1.040 177.634 176.600 -0.009 0.000 1.052 239 K CA 0.883 57.155 56.287 -0.025 0.000 0.956 239 K CB -0.283 32.201 32.500 -0.026 0.000 0.735 239 K HN 0.657 nan 8.250 nan 0.000 0.451 240 N N -0.452 118.244 118.700 -0.006 0.000 2.250 240 N HA 0.014 4.754 4.740 -0.000 0.000 0.190 240 N C 0.294 175.809 175.510 0.009 0.000 1.116 240 N CA -0.128 52.922 53.050 0.000 0.000 0.881 240 N CB 0.198 38.683 38.487 -0.003 0.000 1.006 240 N HN -0.229 nan 8.380 nan 0.000 0.491 241 S N 0.565 116.274 115.700 0.015 0.000 2.632 241 S HA 0.259 4.729 4.470 -0.000 0.000 0.267 241 S C 0.043 174.661 174.600 0.031 0.000 1.276 241 S CA -0.351 57.863 58.200 0.025 0.000 0.998 241 S CB 0.975 64.195 63.200 0.033 0.000 0.953 241 S HN 0.165 nan 8.310 nan 0.000 0.547 242 T N 4.246 118.818 114.554 0.029 0.000 2.867 242 T HA 0.206 4.556 4.350 -0.000 0.000 0.297 242 T C -2.171 172.553 174.700 0.040 0.000 0.989 242 T CA -0.600 61.517 62.100 0.029 0.000 1.159 242 T CB -0.148 68.733 68.868 0.021 0.000 0.928 242 T HN 0.336 nan 8.240 nan 0.000 0.538 243 P HA 0.177 nan 4.420 nan 0.000 0.269 243 P C -0.211 177.094 177.300 0.009 0.000 1.209 243 P CA -0.402 62.750 63.100 0.087 0.000 0.776 243 P CB 0.416 32.180 31.700 0.107 0.000 0.876 244 L N 2.516 123.651 121.223 -0.146 0.000 2.397 244 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 244 L C 0.902 177.761 176.870 -0.017 0.000 1.148 244 L CA -0.292 54.408 54.840 -0.233 0.000 0.825 244 L CB 0.198 41.886 42.059 -0.617 0.000 1.117 244 L HN 0.224 nan 8.230 nan 0.000 0.456 245 K N 2.334 122.750 120.400 0.027 0.000 2.156 245 K HA 0.506 4.825 4.320 -0.000 0.000 0.250 245 K C -0.843 175.673 176.600 -0.141 0.000 0.955 245 K CA -0.939 55.366 56.287 0.031 0.000 0.855 245 K CB 2.045 34.537 32.500 -0.014 0.000 1.101 245 K HN 0.238 nan 8.250 nan 0.000 0.434 246 L N 2.873 123.963 121.223 -0.221 0.000 2.265 246 L HA 0.304 4.644 4.340 -0.000 0.000 0.288 246 L C 0.577 177.229 176.870 -0.363 0.000 1.058 246 L CA 0.403 54.948 54.840 -0.491 0.000 0.809 246 L CB 0.483 42.330 42.059 -0.354 0.000 1.179 246 L HN 0.464 nan 8.230 nan 0.000 0.429 247 N N 3.929 122.264 118.700 -0.607 0.000 2.336 247 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 247 N C -0.245 174.765 175.510 -0.833 0.000 1.113 247 N CA 0.640 53.222 53.050 -0.779 0.000 0.858 247 N CB 0.251 38.115 38.487 -1.039 0.000 0.970 247 N HN 0.550 nan 8.380 nan 0.000 0.471 248 F N 0.409 120.373 119.950 0.023 0.000 2.805 248 F HA 0.339 4.866 4.527 -0.000 0.000 0.317 248 F C 1.535 177.386 175.800 0.084 0.000 1.146 248 F CA -0.764 57.285 58.000 0.083 0.000 1.265 248 F CB 0.156 39.190 39.000 0.058 0.000 0.992 248 F HN -0.145 nan 8.300 nan 0.000 0.511 249 E N -0.015 120.272 120.200 0.145 0.000 2.085 249 E HA -0.269 4.080 4.350 -0.000 0.000 0.194 249 E C 1.637 178.333 176.600 0.161 0.000 0.994 249 E CA 1.863 58.340 56.400 0.127 0.000 0.801 249 E CB -0.143 29.609 29.700 0.087 0.000 0.743 249 E HN 0.635 nan 8.360 nan 0.000 0.453 250 W N 1.866 123.206 121.300 0.067 0.000 2.355 250 W HA -0.192 4.468 4.660 -0.000 0.000 0.309 250 W C 1.908 178.499 176.519 0.121 0.000 1.206 250 W CA 1.729 59.117 57.345 0.072 0.000 1.284 250 W CB 0.102 29.593 29.460 0.051 0.000 1.145 250 W HN -0.039 nan 8.180 nan 0.000 0.502 251 E N 0.262 120.777 120.200 0.524 0.000 2.118 251 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 251 E C 2.027 178.702 176.600 0.125 0.000 0.992 251 E CA 2.151 58.833 56.400 0.470 0.000 0.804 251 E CB -0.557 29.459 29.700 0.528 0.000 0.741 251 E HN 0.356 nan 8.360 nan 0.000 0.458 252 I N 0.808 121.409 120.570 0.052 0.000 2.202 252 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 252 I C 2.102 178.135 176.117 -0.140 0.000 1.091 252 I CA 1.196 62.459 61.300 -0.062 0.000 1.368 252 I CB -0.205 37.775 38.000 -0.034 0.000 1.058 252 I HN 0.108 nan 8.210 nan 0.000 0.410 253 E N 0.666 120.766 120.200 -0.167 0.000 2.153 253 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 253 E C 0.716 177.103 176.600 -0.355 0.000 0.988 253 E CA 1.117 57.378 56.400 -0.233 0.000 0.811 253 E CB -0.169 29.398 29.700 -0.222 0.000 0.746 253 E HN 0.548 nan 8.360 nan 0.000 0.466 254 N N 0.497 118.880 118.700 -0.528 0.000 2.275 254 N HA 0.035 4.775 4.740 -0.000 0.000 0.236 254 N C -0.546 174.707 175.510 -0.428 0.000 1.154 254 N CA -0.245 52.423 53.050 -0.637 0.000 0.866 254 N CB 0.480 38.101 38.487 -1.445 0.000 1.093 254 N HN 0.100 nan 8.380 nan 0.000 0.515 255 R N -0.111 120.157 120.500 -0.386 0.000 2.784 255 R HA 0.015 4.355 4.340 -0.000 0.000 0.266 255 R C -0.479 175.466 176.300 -0.591 0.000 1.044 255 R CA -0.353 55.425 56.100 -0.537 0.000 1.151 255 R CB 0.247 30.327 30.300 -0.367 0.000 1.037 255 R HN 0.139 nan 8.270 nan 0.000 0.478 256 Y N 1.854 121.603 120.300 -0.919 0.000 2.650 256 Y HA -0.005 4.545 4.550 -0.000 0.000 0.331 256 Y C -0.152 175.431 175.900 -0.529 0.000 1.165 256 Y CA 0.526 58.251 58.100 -0.625 0.000 1.473 256 Y CB 0.542 38.681 38.460 -0.535 0.000 1.224 256 Y HN 0.488 nan 8.280 nan 0.000 0.533 257 K N 5.485 125.416 120.400 -0.782 0.000 2.298 257 K HA 0.167 4.487 4.320 -0.000 0.000 0.280 257 K C -0.710 175.607 176.600 -0.472 0.000 1.032 257 K CA -0.201 55.751 56.287 -0.559 0.000 0.958 257 K CB 0.575 32.839 32.500 -0.394 0.000 0.978 257 K HN 0.743 nan 8.250 nan 0.000 0.472 258 H N 0.320 119.300 119.070 -0.150 0.000 2.517 258 H HA 0.167 4.723 4.556 -0.000 0.000 0.346 258 H C 0.136 175.419 175.328 -0.076 0.000 1.222 258 H CA -0.986 55.019 56.048 -0.071 0.000 1.314 258 H CB 1.240 30.986 29.762 -0.028 0.000 1.609 258 H HN 0.687 nan 8.280 nan 0.000 0.571 259 N N -0.731 118.034 118.700 0.109 0.000 3.184 259 N HA 0.064 4.804 4.740 -0.000 0.000 0.353 259 N C 0.552 176.070 175.510 0.013 0.000 1.441 259 N CA -0.660 52.409 53.050 0.032 0.000 0.723 259 N CB 0.373 38.867 38.487 0.013 0.000 1.547 259 N HN 0.433 nan 8.380 nan 0.000 0.624 260 E N -0.429 119.768 120.200 -0.005 0.000 2.110 260 E HA -0.054 4.295 4.350 -0.000 0.000 0.193 260 E C 1.708 178.288 176.600 -0.034 0.000 0.988 260 E CA 0.783 57.172 56.400 -0.017 0.000 0.804 260 E CB -0.381 29.310 29.700 -0.015 0.000 0.745 260 E HN 0.432 nan 8.360 nan 0.000 0.458 261 V N 0.902 120.796 119.914 -0.033 0.000 2.427 261 V HA -0.191 3.928 4.120 -0.000 0.000 0.248 261 V C 2.328 178.368 176.094 -0.089 0.000 1.051 261 V CA 2.212 64.481 62.300 -0.051 0.000 1.048 261 V CB -0.628 31.172 31.823 -0.040 0.000 0.666 261 V HN 0.406 nan 8.190 nan 0.000 0.456 262 T N -2.271 112.222 114.554 -0.103 0.000 3.044 262 T HA 0.162 4.512 4.350 -0.000 0.000 0.260 262 T C 0.684 175.124 174.700 -0.433 0.000 1.019 262 T CA -0.415 61.550 62.100 -0.225 0.000 0.921 262 T CB -0.160 68.624 68.868 -0.140 0.000 1.053 262 T HN 0.625 nan 8.240 nan 0.000 0.533 263 K N 1.652 121.930 120.400 -0.203 0.000 2.469 263 K HA 0.484 4.803 4.320 -0.000 0.000 0.274 263 K C -0.443 176.049 176.600 -0.180 0.000 0.983 263 K CA -0.226 55.984 56.287 -0.127 0.000 0.974 263 K CB 0.353 32.843 32.500 -0.017 0.000 0.913 263 K HN 0.164 nan 8.250 nan 0.000 0.493 264 A N 2.678 125.445 122.820 -0.088 0.000 2.357 264 A HA 0.198 4.518 4.320 -0.000 0.000 0.295 264 A C -0.862 176.716 177.584 -0.011 0.000 1.121 264 A CA -0.788 51.200 52.037 -0.081 0.000 0.742 264 A CB 0.925 19.880 19.000 -0.074 0.000 1.181 264 A HN 0.884 nan 8.150 nan 0.000 0.454 265 E N 3.170 123.353 120.200 -0.027 0.000 2.360 265 E HA 0.325 4.675 4.350 -0.000 0.000 0.269 265 E C -2.075 174.538 176.600 0.022 0.000 1.022 265 E CA -1.475 54.925 56.400 0.000 0.000 0.887 265 E CB 0.454 30.147 29.700 -0.011 0.000 0.990 265 E HN 0.411 nan 8.360 nan 0.000 0.426 266 P HA -0.007 nan 4.420 nan 0.000 0.266 266 P C -0.834 176.519 177.300 0.088 0.000 1.193 266 P CA 0.523 63.677 63.100 0.089 0.000 0.770 266 P CB 0.388 32.146 31.700 0.096 0.000 0.836 267 I N 4.573 125.228 120.570 0.142 0.000 2.330 267 I HA 0.309 4.479 4.170 -0.000 0.000 0.289 267 I C -1.895 174.320 176.117 0.164 0.000 1.001 267 I CA -2.153 59.232 61.300 0.142 0.000 1.193 267 I CB 1.719 39.833 38.000 0.189 0.000 1.345 267 I HN 0.248 nan 8.210 nan 0.000 0.461 268 P HA 0.301 nan 4.420 nan 0.000 0.281 268 P C -0.275 177.058 177.300 0.055 0.000 1.264 268 P CA -0.589 62.564 63.100 0.089 0.000 0.824 268 P CB 1.729 33.467 31.700 0.063 0.000 1.092 269 I N 0.763 121.349 120.570 0.026 0.000 2.815 269 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 269 I C 0.439 176.522 176.117 -0.056 0.000 1.209 269 I CA -0.164 61.095 61.300 -0.069 0.000 1.431 269 I CB 0.613 38.499 38.000 -0.190 0.000 1.351 269 I HN 0.432 nan 8.210 nan 0.000 0.585 270 A N 5.709 128.493 122.820 -0.061 0.000 2.407 270 A HA 0.112 4.432 4.320 -0.000 0.000 0.248 270 A C 0.860 178.418 177.584 -0.043 0.000 1.082 270 A CA -0.382 51.636 52.037 -0.030 0.000 0.785 270 A CB 0.306 19.301 19.000 -0.008 0.000 1.020 270 A HN 0.857 nan 8.150 nan 0.000 0.489 271 D N 0.485 120.871 120.400 -0.023 0.000 2.149 271 D HA -0.190 4.450 4.640 -0.000 0.000 0.198 271 D C 1.759 178.045 176.300 -0.023 0.000 0.990 271 D CA 1.840 55.826 54.000 -0.023 0.000 0.839 271 D CB -0.058 40.736 40.800 -0.009 0.000 0.948 271 D HN 0.884 nan 8.370 nan 0.000 0.460 272 E N 0.587 120.780 120.200 -0.012 0.000 2.153 272 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 272 E C 0.913 177.516 176.600 0.004 0.000 0.988 272 E CA 1.093 57.492 56.400 -0.002 0.000 0.811 272 E CB 0.153 29.855 29.700 0.003 0.000 0.746 272 E HN 0.146 nan 8.360 nan 0.000 0.466 273 D N 0.634 121.033 120.400 -0.002 0.000 2.183 273 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 273 D C 2.022 178.271 176.300 -0.085 0.000 0.962 273 D CA 0.366 54.365 54.000 -0.000 0.000 0.849 273 D CB -0.197 40.583 40.800 -0.034 0.000 0.978 273 D HN 0.205 nan 8.370 nan 0.000 0.488 274 L N 1.533 122.674 121.223 -0.136 0.000 2.046 274 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 274 L C 2.432 179.251 176.870 -0.084 0.000 1.077 274 L CA 1.290 56.016 54.840 -0.190 0.000 0.747 274 L CB -0.773 41.192 42.059 -0.157 0.000 0.896 274 L HN 0.004 nan 8.230 nan 0.000 0.432 275 V N -2.407 117.483 119.914 -0.039 0.000 2.332 275 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 275 V C 2.617 178.710 176.094 -0.001 0.000 1.055 275 V CA 2.082 64.376 62.300 -0.009 0.000 1.038 275 V CB -1.128 30.694 31.823 -0.002 0.000 0.651 275 V HN 0.398 nan 8.190 nan 0.000 0.450 276 K N 0.511 120.913 120.400 0.003 0.000 2.032 276 K HA -0.004 4.316 4.320 -0.000 0.000 0.209 276 K C 1.927 178.541 176.600 0.022 0.000 1.048 276 K CA 2.192 58.490 56.287 0.018 0.000 0.927 276 K CB -0.501 32.030 32.500 0.053 0.000 0.712 276 K HN 0.620 nan 8.250 nan 0.000 0.441 277 I N 0.302 120.885 120.570 0.020 0.000 2.286 277 I HA -0.186 3.983 4.170 -0.000 0.000 0.245 277 I C 1.853 178.015 176.117 0.075 0.000 1.104 277 I CA 1.184 62.513 61.300 0.048 0.000 1.397 277 I CB -0.113 37.896 38.000 0.014 0.000 1.072 277 I HN 0.206 nan 8.210 nan 0.000 0.417 278 E N 0.556 120.788 120.200 0.054 0.000 2.347 278 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 278 E C 1.307 177.955 176.600 0.079 0.000 1.008 278 E CA 0.493 56.944 56.400 0.086 0.000 0.852 278 E CB 0.029 29.771 29.700 0.071 0.000 0.783 278 E HN 0.410 nan 8.360 nan 0.000 0.505 279 N N 0.047 118.772 118.700 0.041 0.000 2.373 279 N HA 0.050 4.789 4.740 -0.000 0.000 0.181 279 N C 0.113 175.547 175.510 -0.126 0.000 1.082 279 N CA 0.159 53.214 53.050 0.008 0.000 0.885 279 N CB 0.324 38.802 38.487 -0.014 0.000 0.977 279 N HN 0.101 nan 8.380 nan 0.000 0.462 280 L N 0.938 122.128 121.223 -0.056 0.000 2.490 280 L HA -0.013 4.327 4.340 -0.000 0.000 0.274 280 L C 0.955 177.841 176.870 0.027 0.000 1.201 280 L CA 0.349 55.153 54.840 -0.061 0.000 0.869 280 L CB 0.314 42.422 42.059 0.080 0.000 1.123 280 L HN 0.192 nan 8.230 nan 0.000 0.484 281 H N 0.561 119.656 119.070 0.040 0.000 2.524 281 H HA 0.080 4.635 4.556 -0.000 0.000 0.280 281 H C 0.099 175.415 175.328 -0.020 0.000 1.018 281 H CA -0.330 55.724 56.048 0.010 0.000 1.165 281 H CB 0.401 30.163 29.762 0.001 0.000 1.411 281 H HN 0.574 nan 8.280 nan 0.000 0.569 282 E N 0.782 121.027 120.200 0.075 0.000 2.336 282 E HA 0.252 4.602 4.350 -0.000 0.000 0.267 282 E C -1.331 175.195 176.600 -0.124 0.000 0.906 282 E CA -0.864 55.488 56.400 -0.080 0.000 0.781 282 E CB 2.587 32.170 29.700 -0.194 0.000 1.261 282 E HN -0.019 nan 8.360 nan 0.000 0.436 283 D N 0.058 120.297 120.400 -0.267 0.000 2.272 283 D HA 0.423 5.063 4.640 -0.000 0.000 0.247 283 D C -1.600 174.389 176.300 -0.519 0.000 0.990 283 D CA -0.330 53.538 54.000 -0.220 0.000 0.931 283 D CB 0.849 41.537 40.800 -0.187 0.000 1.195 283 D HN 0.329 nan 8.370 nan 0.000 0.477 284 Y N 0.749 120.932 120.300 -0.196 0.000 2.499 284 Y HA 0.363 4.913 4.550 -0.000 0.000 0.347 284 Y C -0.357 175.340 175.900 -0.338 0.000 0.987 284 Y CA -0.940 57.033 58.100 -0.213 0.000 1.044 284 Y CB 1.010 39.399 38.460 -0.119 0.000 1.245 284 Y HN 0.280 nan 8.280 nan 0.000 0.461 285 Y N 3.681 123.873 120.300 -0.180 0.000 2.550 285 Y HA 0.108 4.657 4.550 -0.000 0.000 0.343 285 Y C -1.789 173.905 175.900 -0.344 0.000 1.245 285 Y CA -1.412 56.438 58.100 -0.416 0.000 1.462 285 Y CB -0.178 37.902 38.460 -0.633 0.000 1.340 285 Y HN 0.335 nan 8.280 nan 0.000 0.604 286 P HA -0.004 nan 4.420 nan 0.000 0.272 286 P C 0.609 177.503 177.300 -0.677 0.000 1.240 286 P CA 0.126 62.797 63.100 -0.716 0.000 0.791 286 P CB 0.732 31.544 31.700 -1.479 0.000 0.978 287 G N 0.302 108.703 108.800 -0.665 0.000 2.462 287 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 287 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 287 G C 0.876 175.409 174.900 -0.611 0.000 1.121 287 G CA 0.253 45.195 45.100 -0.263 0.000 0.758 287 G HN 0.706 nan 8.290 nan 0.000 0.559 288 W N -1.291 119.350 121.300 -1.098 0.000 3.204 288 W HA 0.392 5.052 4.660 -0.001 0.000 0.249 288 W C 1.009 177.308 176.519 -0.366 0.000 1.322 288 W CA -0.759 55.708 57.345 -1.463 0.000 1.593 288 W CB -0.524 28.217 29.460 -1.197 0.000 1.122 288 W HN 0.076 nan 8.180 nan 0.000 0.710 289 Y N 0.846 120.993 120.300 -0.255 0.000 2.546 289 Y HA 0.172 4.722 4.550 -0.000 0.000 0.287 289 Y C 0.864 176.767 175.900 0.006 0.000 1.158 289 Y CA -0.104 57.935 58.100 -0.101 0.000 1.307 289 Y CB -0.227 38.087 38.460 -0.244 0.000 1.036 289 Y HN -0.074 nan 8.280 nan 0.000 0.532 290 L N 0.406 121.769 121.223 0.234 0.000 2.272 290 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 290 L C 0.576 177.723 176.870 0.462 0.000 1.032 290 L CA -0.333 54.692 54.840 0.309 0.000 0.810 290 L CB 1.111 43.371 42.059 0.336 0.000 1.205 290 L HN 0.029 nan 8.230 nan 0.000 0.422 291 V N -0.181 119.927 119.914 0.323 0.000 3.346 291 V HA 0.386 4.506 4.120 -0.000 0.000 0.309 291 V C 0.043 176.259 176.094 0.203 0.000 1.457 291 V CA -0.308 62.197 62.300 0.340 0.000 1.069 291 V CB 0.425 32.428 31.823 0.300 0.000 0.944 291 V HN 0.716 nan 8.190 nan 0.000 0.449 292 D N 1.681 122.172 120.400 0.151 0.000 2.380 292 D HA 0.201 4.841 4.640 -0.000 0.000 0.230 292 D C 0.835 177.186 176.300 0.085 0.000 1.154 292 D CA 0.045 54.096 54.000 0.085 0.000 0.859 292 D CB 1.221 42.039 40.800 0.031 0.000 1.045 292 D HN 0.289 nan 8.370 nan 0.000 0.495 293 D N 3.003 123.451 120.400 0.079 0.000 2.221 293 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 293 D C 1.190 177.524 176.300 0.058 0.000 0.982 293 D CA 0.858 54.901 54.000 0.071 0.000 0.857 293 D CB 0.481 41.320 40.800 0.064 0.000 0.934 293 D HN 0.513 nan 8.370 nan 0.000 0.475 294 K N 0.292 120.716 120.400 0.039 0.000 2.362 294 K HA -0.010 4.310 4.320 -0.000 0.000 0.200 294 K C 1.773 178.383 176.600 0.016 0.000 1.046 294 K CA 0.449 56.753 56.287 0.028 0.000 0.952 294 K CB 0.206 32.713 32.500 0.012 0.000 0.753 294 K HN 0.199 nan 8.250 nan 0.000 0.466 295 L N -0.260 120.966 121.223 0.004 0.000 2.693 295 L HA 0.110 4.450 4.340 -0.000 0.000 0.235 295 L C 1.980 178.903 176.870 0.088 0.000 1.127 295 L CA -0.037 54.795 54.840 -0.014 0.000 0.914 295 L CB 0.088 42.035 42.059 -0.187 0.000 1.193 295 L HN 0.151 nan 8.230 nan 0.000 0.502 296 E N 1.585 121.846 120.200 0.103 0.000 2.118 296 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 296 E C 1.564 178.252 176.600 0.147 0.000 0.992 296 E CA 1.263 57.747 56.400 0.140 0.000 0.804 296 E CB 0.237 30.001 29.700 0.107 0.000 0.741 296 E HN 0.409 nan 8.360 nan 0.000 0.458 297 R N -0.595 119.977 120.500 0.121 0.000 2.426 297 R HA 0.242 4.581 4.340 -0.000 0.000 0.263 297 R C 1.460 177.832 176.300 0.119 0.000 0.961 297 R CA 0.297 56.468 56.100 0.118 0.000 1.086 297 R CB 0.605 30.961 30.300 0.093 0.000 1.186 297 R HN 0.085 nan 8.270 nan 0.000 0.537 298 A N 0.582 123.492 122.820 0.148 0.000 2.067 298 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 298 A C 1.944 179.594 177.584 0.111 0.000 1.158 298 A CA 1.445 53.585 52.037 0.171 0.000 0.661 298 A CB -0.224 18.980 19.000 0.339 0.000 0.801 298 A HN 0.416 nan 8.150 nan 0.000 0.452 299 G N -1.000 107.852 108.800 0.085 0.000 3.141 299 G HA2 0.210 4.170 3.960 -0.000 0.000 0.218 299 G HA3 0.210 4.170 3.960 -0.000 0.000 0.218 299 G C 0.767 175.697 174.900 0.050 0.000 1.170 299 G CA -0.453 44.657 45.100 0.017 0.000 0.769 299 G HN 0.306 nan 8.290 nan 0.000 0.546 300 R N 0.000 120.548 120.500 0.080 0.000 2.786 300 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 300 R CA 0.000 56.150 56.100 0.083 0.000 0.921 300 R CB 0.000 30.354 30.300 0.090 0.000 0.687 300 R HN 0.000 nan 8.270 nan 0.000 0.535