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 2nxw_1_B DATA FIRST_RESID -2 DATA SEQUENCE GSHMKLAEAL LRALKDRGAQ AMFGIPGDFA LPFFKVAEET QILPLHTLSH DATA SEQUENCE EPAVGFAADA AARYSSTLGV AAVTYGAGAF NMVNAVAGAY AEKSPVVVIS DATA SEQUENCE GAPGTTEXXX XLLXXXXXXX XDTQFQVFKE ITVAQARLDD PAKAPAEIAR DATA SEQUENCE VLGAARAQSR PVYLEIPRNM VNAEVEPVGD DPAWPVDRDA LAACADEVLA DATA SEQUENCE AMRSATSPVL MVCVEVRRYG LEAKVAELAQ RLGVPVVTTF MGRGLLADAP DATA SEQUENCE TPPLGTYIGV AGDAEITRLV EESDGLFLLG AILSDTNFAV SQRKIDLRKT DATA SEQUENCE IHAFDRAVTL GYHTYADIPL AGLVDALLER LPPSDRTTRG KEPHAYPTGL DATA SEQUENCE QADGEPIAPM DIARAVNDRV RAGQEPLLIA ADMGDCLFTA MDMIDAGLMA DATA SEQUENCE PGYYAGMGFG VPAGIGAQCV SGGKRILTVV GDGAFQMTGW ELGNCRRLGI DATA SEQUENCE DPIVILFNNA SWEMLRTFQP ESAFNDLDDW RFADMAAGMG GDGVRVRTRA DATA SEQUENCE ELKAALDKAF ATRGRFQLIE AMIPRGVLSD TLARFVQGQK 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 -2 G C 0.000 174.903 174.900 0.004 0.000 0.946 -2 G CA 0.000 45.112 45.100 0.020 0.000 0.502 -1 S N 0.700 116.378 115.700 -0.037 0.000 2.632 -1 S HA 0.698 5.169 4.470 0.002 0.000 0.271 -1 S C -0.200 174.361 174.600 -0.066 0.000 1.260 -1 S CA -0.221 57.898 58.200 -0.135 0.000 1.010 -1 S CB 0.855 63.989 63.200 -0.109 0.000 0.965 -1 S HN 0.766 nan 8.310 nan 0.000 0.534 0 H N -1.403 117.664 119.070 -0.005 0.000 3.016 0 H HA 0.761 5.318 4.556 0.002 0.000 0.362 0 H C -0.778 174.547 175.328 -0.005 0.000 1.233 0 H CA -1.239 54.806 56.048 -0.004 0.000 1.124 0 H CB 0.766 30.526 29.762 -0.003 0.000 1.850 0 H HN 0.641 nan 8.280 nan 0.000 0.549 1 M N -0.940 118.766 119.600 0.175 0.000 2.755 1 M HA 0.560 5.041 4.480 0.002 0.000 0.273 1 M C -1.427 174.931 176.300 0.096 0.000 1.278 1 M CA -1.248 54.117 55.300 0.108 0.000 0.819 1 M CB 2.353 34.975 32.600 0.037 0.000 1.694 1 M HN 0.437 nan 8.290 nan 0.000 0.460 2 K N 1.023 121.462 120.400 0.064 0.000 2.485 2 K HA 0.102 4.424 4.320 0.002 0.000 0.277 2 K C 0.755 177.383 176.600 0.046 0.000 0.990 2 K CA -0.110 56.206 56.287 0.048 0.000 0.994 2 K CB 0.970 33.489 32.500 0.032 0.000 0.906 2 K HN 0.660 nan 8.250 nan 0.000 0.488 3 L N 3.057 124.308 121.223 0.046 0.000 2.043 3 L HA -0.301 4.040 4.340 0.002 0.000 0.212 3 L C 2.147 179.064 176.870 0.077 0.000 1.075 3 L CA 2.034 56.903 54.840 0.048 0.000 0.752 3 L CB -0.305 41.776 42.059 0.037 0.000 0.891 3 L HN 0.894 nan 8.230 nan 0.000 0.432 4 A N -0.716 122.172 122.820 0.113 0.000 1.933 4 A HA -0.290 4.031 4.320 0.002 0.000 0.218 4 A C 2.237 179.868 177.584 0.078 0.000 1.175 4 A CA 1.909 54.062 52.037 0.194 0.000 0.628 4 A CB -0.644 18.472 19.000 0.193 0.000 0.814 4 A HN 0.660 nan 8.150 nan 0.000 0.444 5 E N -0.240 119.971 120.200 0.018 0.000 2.106 5 E HA -0.064 4.287 4.350 0.002 0.000 0.192 5 E C 2.117 178.720 176.600 0.005 0.000 0.984 5 E CA 0.838 57.229 56.400 -0.015 0.000 0.806 5 E CB -0.233 29.456 29.700 -0.019 0.000 0.750 5 E HN 0.536 nan 8.360 nan 0.000 0.458 6 A N 1.072 123.906 122.820 0.024 0.000 1.933 6 A HA -0.169 4.152 4.320 0.002 0.000 0.218 6 A C 2.102 179.701 177.584 0.026 0.000 1.175 6 A CA 1.250 53.300 52.037 0.023 0.000 0.628 6 A CB -0.557 18.460 19.000 0.028 0.000 0.814 6 A HN 0.386 nan 8.150 nan 0.000 0.444 7 L N -0.319 120.933 121.223 0.048 0.000 2.044 7 L HA -0.029 4.313 4.340 0.002 0.000 0.205 7 L C 2.237 179.136 176.870 0.048 0.000 1.075 7 L CA 1.585 56.457 54.840 0.054 0.000 0.747 7 L CB -0.590 41.524 42.059 0.092 0.000 0.903 7 L HN 0.381 nan 8.230 nan 0.000 0.435 8 L N -0.688 120.562 121.223 0.045 0.000 2.042 8 L HA -0.209 4.132 4.340 0.002 0.000 0.210 8 L C 2.787 179.648 176.870 -0.016 0.000 1.076 8 L CA 1.429 56.268 54.840 -0.002 0.000 0.749 8 L CB -0.525 41.492 42.059 -0.069 0.000 0.893 8 L HN 0.244 nan 8.230 nan 0.000 0.432 9 R N -0.253 120.239 120.500 -0.014 0.000 2.092 9 R HA -0.094 4.247 4.340 0.002 0.000 0.231 9 R C 2.426 178.723 176.300 -0.005 0.000 1.119 9 R CA 1.169 57.260 56.100 -0.014 0.000 0.970 9 R CB -0.440 29.852 30.300 -0.013 0.000 0.864 9 R HN 0.349 nan 8.270 nan 0.000 0.440 10 A N 1.196 124.017 122.820 0.003 0.000 1.933 10 A HA -0.121 4.200 4.320 0.002 0.000 0.218 10 A C 2.136 179.724 177.584 0.007 0.000 1.175 10 A CA 1.121 53.161 52.037 0.006 0.000 0.628 10 A CB -0.413 18.592 19.000 0.009 0.000 0.814 10 A HN 0.164 nan 8.150 nan 0.000 0.444 11 L N -0.790 120.437 121.223 0.007 0.000 2.027 11 L HA -0.155 4.186 4.340 0.002 0.000 0.206 11 L C 2.613 179.485 176.870 0.004 0.000 1.074 11 L CA 1.851 56.696 54.840 0.009 0.000 0.745 11 L CB -0.373 41.692 42.059 0.011 0.000 0.898 11 L HN 0.442 nan 8.230 nan 0.000 0.433 12 K N 0.091 120.487 120.400 -0.006 0.000 2.057 12 K HA -0.207 4.114 4.320 0.002 0.000 0.207 12 K C 1.633 178.232 176.600 -0.002 0.000 1.049 12 K CA 1.673 57.955 56.287 -0.010 0.000 0.931 12 K CB -0.016 32.471 32.500 -0.022 0.000 0.714 12 K HN 0.229 nan 8.250 nan 0.000 0.440 13 D N 0.529 120.928 120.400 -0.001 0.000 2.182 13 D HA -0.140 4.501 4.640 0.002 0.000 0.201 13 D C 1.355 177.660 176.300 0.008 0.000 0.986 13 D CA 1.129 55.130 54.000 0.002 0.000 0.847 13 D CB 0.020 40.821 40.800 0.002 0.000 0.942 13 D HN 0.255 nan 8.370 nan 0.000 0.467 14 R N -0.816 119.691 120.500 0.012 0.000 2.334 14 R HA 0.261 4.602 4.340 0.002 0.000 0.220 14 R C 1.187 177.502 176.300 0.024 0.000 0.917 14 R CA 0.454 56.565 56.100 0.018 0.000 1.073 14 R CB 0.634 30.946 30.300 0.020 0.000 1.056 14 R HN 0.156 nan 8.270 nan 0.000 0.506 15 G N 0.144 108.957 108.800 0.021 0.000 2.195 15 G HA2 -0.289 3.672 3.960 0.002 0.000 0.224 15 G HA3 -0.289 3.672 3.960 0.002 0.000 0.224 15 G C 0.310 175.230 174.900 0.034 0.000 0.990 15 G CA -0.181 44.936 45.100 0.028 0.000 0.639 15 G HN 0.480 nan 8.290 nan 0.000 0.514 16 A N -0.016 122.822 122.820 0.029 0.000 2.540 16 A HA 0.538 4.859 4.320 0.002 0.000 0.239 16 A C 1.112 178.707 177.584 0.018 0.000 1.061 16 A CA 1.500 53.556 52.037 0.032 0.000 0.758 16 A CB 0.193 19.206 19.000 0.021 0.000 0.991 16 A HN 0.573 nan 8.150 nan 0.000 0.502 17 Q N 0.309 120.127 119.800 0.031 0.000 2.280 17 Q HA 0.447 4.789 4.340 0.002 0.000 0.228 17 Q C 0.219 176.192 176.000 -0.044 0.000 0.857 17 Q CA 0.701 56.512 55.803 0.012 0.000 0.939 17 Q CB 0.643 29.414 28.738 0.055 0.000 1.114 17 Q HN 0.967 nan 8.270 nan 0.000 0.514 18 A N 0.670 123.440 122.820 -0.083 0.000 2.566 18 A HA 0.677 4.998 4.320 0.002 0.000 0.290 18 A C -1.990 175.412 177.584 -0.303 0.000 1.071 18 A CA -0.684 51.190 52.037 -0.272 0.000 0.658 18 A CB 1.194 19.979 19.000 -0.358 0.000 1.285 18 A HN 0.132 nan 8.150 nan 0.000 0.427 19 M N 1.062 120.379 119.600 -0.471 0.000 2.197 19 M HA 0.725 5.206 4.480 0.002 0.000 0.301 19 M C -2.092 173.948 176.300 -0.433 0.000 0.987 19 M CA -0.347 54.764 55.300 -0.315 0.000 0.921 19 M CB 0.852 33.311 32.600 -0.235 0.000 1.569 19 M HN 0.576 nan 8.290 nan 0.000 0.431 20 F N 2.555 122.524 119.950 0.031 0.000 2.425 20 F HA 0.913 5.441 4.527 0.002 0.000 0.331 20 F C 0.814 176.679 175.800 0.108 0.000 1.085 20 F CA -0.214 57.841 58.000 0.093 0.000 1.028 20 F CB 2.084 41.142 39.000 0.097 0.000 1.177 20 F HN 0.652 nan 8.300 nan 0.000 0.487 21 G N 1.812 110.824 108.800 0.354 0.000 2.466 21 G HA2 0.603 4.564 3.960 0.002 0.000 0.291 21 G HA3 0.603 4.564 3.960 0.002 0.000 0.291 21 G C -2.127 173.050 174.900 0.462 0.000 1.460 21 G CA -0.758 44.603 45.100 0.434 0.000 0.791 21 G HN 0.528 nan 8.290 nan 0.000 0.505 22 I N 2.168 122.975 120.570 0.394 0.000 2.512 22 I HA 0.379 4.550 4.170 0.002 0.000 0.287 22 I C -2.196 173.823 176.117 -0.163 0.000 1.069 22 I CA -1.999 59.375 61.300 0.123 0.000 1.056 22 I CB 3.195 41.261 38.000 0.111 0.000 1.229 22 I HN 0.299 nan 8.210 nan 0.000 0.429 23 P HA 0.522 nan 4.420 nan 0.000 0.282 23 P C -0.415 176.685 177.300 -0.332 0.000 1.287 23 P CA -0.162 62.386 63.100 -0.921 0.000 0.792 23 P CB 1.764 32.760 31.700 -1.175 0.000 1.163 24 G N -0.780 107.876 108.800 -0.240 0.000 2.559 24 G HA2 0.329 4.290 3.960 0.002 0.000 0.291 24 G HA3 0.329 4.290 3.960 0.002 0.000 0.291 24 G C 0.088 174.928 174.900 -0.099 0.000 1.424 24 G CA -0.226 44.811 45.100 -0.105 0.000 0.786 24 G HN 0.426 nan 8.290 nan 0.000 0.485 25 D N 0.010 120.322 120.400 -0.147 0.000 2.160 25 D HA -0.228 4.413 4.640 0.002 0.000 0.189 25 D C 1.731 177.923 176.300 -0.180 0.000 1.003 25 D CA 1.824 55.681 54.000 -0.238 0.000 0.846 25 D CB -0.442 40.094 40.800 -0.440 0.000 0.949 25 D HN 0.228 nan 8.370 nan 0.000 0.446 26 F N 0.826 120.797 119.950 0.035 0.000 2.365 26 F HA 0.204 4.732 4.527 0.002 0.000 0.300 26 F C 2.642 178.480 175.800 0.063 0.000 1.090 26 F CA 0.846 58.867 58.000 0.035 0.000 1.408 26 F CB -0.556 38.463 39.000 0.031 0.000 1.060 26 F HN 0.164 nan 8.300 nan 0.000 0.534 27 A N -0.818 122.141 122.820 0.232 0.000 2.267 27 A HA 0.199 4.520 4.320 0.002 0.000 0.213 27 A C 2.052 179.813 177.584 0.295 0.000 1.192 27 A CA -0.012 52.197 52.037 0.285 0.000 0.851 27 A CB -0.663 18.518 19.000 0.302 0.000 0.881 27 A HN 0.330 nan 8.150 nan 0.000 0.494 28 L N -0.090 121.205 121.223 0.120 0.000 2.013 28 L HA -0.151 4.190 4.340 0.002 0.000 0.212 28 L C -0.495 176.481 176.870 0.177 0.000 1.073 28 L CA 1.729 56.623 54.840 0.091 0.000 0.753 28 L CB -1.277 40.787 42.059 0.008 0.000 0.890 28 L HN 0.227 nan 8.230 nan 0.000 0.432 29 P HA -0.216 nan 4.420 nan 0.000 0.216 29 P C 1.482 178.896 177.300 0.189 0.000 1.150 29 P CA 1.325 64.515 63.100 0.150 0.000 0.837 29 P CB -0.039 31.740 31.700 0.132 0.000 0.786 30 F N -0.925 119.110 119.950 0.140 0.000 2.146 30 F HA -0.127 4.401 4.527 0.002 0.000 0.298 30 F C 1.892 177.753 175.800 0.101 0.000 1.096 30 F CA 1.349 59.411 58.000 0.102 0.000 1.275 30 F CB -0.820 38.244 39.000 0.107 0.000 1.008 30 F HN -0.228 nan 8.300 nan 0.000 0.480 31 F N 1.068 121.011 119.950 -0.012 0.000 2.216 31 F HA -0.129 4.399 4.527 0.002 0.000 0.300 31 F C 2.512 178.218 175.800 -0.156 0.000 1.085 31 F CA 1.749 59.681 58.000 -0.113 0.000 1.326 31 F CB -0.832 38.180 39.000 0.020 0.000 1.027 31 F HN -0.039 nan 8.300 nan 0.000 0.497 32 K N 0.368 120.814 120.400 0.077 0.000 2.026 32 K HA -0.140 4.181 4.320 0.002 0.000 0.208 32 K C 2.002 178.552 176.600 -0.083 0.000 1.048 32 K CA 1.578 57.869 56.287 0.007 0.000 0.929 32 K CB -0.308 32.207 32.500 0.025 0.000 0.713 32 K HN 0.099 nan 8.250 nan 0.000 0.439 33 V N 1.420 121.246 119.914 -0.146 0.000 2.343 33 V HA -0.245 3.876 4.120 0.002 0.000 0.247 33 V C 2.493 178.423 176.094 -0.273 0.000 1.051 33 V CA 1.969 64.154 62.300 -0.192 0.000 1.036 33 V CB -0.775 30.925 31.823 -0.204 0.000 0.654 33 V HN 0.525 nan 8.190 nan 0.000 0.451 34 A N -0.388 122.165 122.820 -0.445 0.000 1.908 34 A HA -0.295 4.026 4.320 0.002 0.000 0.218 34 A C 2.307 179.734 177.584 -0.261 0.000 1.181 34 A CA 2.156 53.930 52.037 -0.438 0.000 0.627 34 A CB -0.514 18.102 19.000 -0.640 0.000 0.818 34 A HN 0.636 nan 8.150 nan 0.000 0.445 35 E N -0.311 119.776 120.200 -0.187 0.000 2.072 35 E HA -0.193 4.158 4.350 0.002 0.000 0.191 35 E C 1.937 178.482 176.600 -0.093 0.000 0.985 35 E CA 1.233 57.566 56.400 -0.111 0.000 0.801 35 E CB -0.115 29.558 29.700 -0.045 0.000 0.750 35 E HN 0.746 nan 8.360 nan 0.000 0.452 36 E N -0.361 119.786 120.200 -0.088 0.000 2.072 36 E HA -0.132 4.219 4.350 0.002 0.000 0.190 36 E C 2.218 178.773 176.600 -0.074 0.000 0.982 36 E CA 1.642 58.002 56.400 -0.067 0.000 0.803 36 E CB -0.033 29.635 29.700 -0.054 0.000 0.755 36 E HN 0.412 nan 8.360 nan 0.000 0.453 37 T N -1.703 112.793 114.554 -0.097 0.000 2.985 37 T HA -0.116 4.235 4.350 0.002 0.000 0.266 37 T C 0.953 175.598 174.700 -0.091 0.000 1.076 37 T CA 0.557 62.603 62.100 -0.090 0.000 1.135 37 T CB -0.065 68.741 68.868 -0.102 0.000 0.890 37 T HN 0.142 nan 8.240 nan 0.000 0.480 38 Q N -0.125 119.608 119.800 -0.112 0.000 2.480 38 Q HA -0.191 4.150 4.340 0.002 0.000 0.265 38 Q C 0.974 176.908 176.000 -0.109 0.000 1.072 38 Q CA 0.746 56.483 55.803 -0.111 0.000 1.018 38 Q CB -2.233 26.456 28.738 -0.082 0.000 1.433 38 Q HN 0.621 nan 8.270 nan 0.000 0.513 39 I N -0.226 120.274 120.570 -0.117 0.000 2.226 39 I HA -0.164 4.007 4.170 0.002 0.000 0.245 39 I C 1.040 177.091 176.117 -0.109 0.000 1.100 39 I CA 1.333 62.573 61.300 -0.099 0.000 1.374 39 I CB 0.094 38.038 38.000 -0.094 0.000 1.057 39 I HN 0.162 nan 8.210 nan 0.000 0.413 40 L N 0.204 121.338 121.223 -0.149 0.000 2.386 40 L HA 0.427 4.768 4.340 0.002 0.000 0.271 40 L C -2.472 174.250 176.870 -0.246 0.000 0.993 40 L CA -2.057 52.679 54.840 -0.174 0.000 0.819 40 L CB 1.640 43.593 42.059 -0.175 0.000 1.294 40 L HN -0.273 nan 8.230 nan 0.000 0.414 41 P HA 0.043 nan 4.420 nan 0.000 0.265 41 P C -0.972 175.946 177.300 -0.638 0.000 1.193 41 P CA -0.189 62.660 63.100 -0.418 0.000 0.765 41 P CB 0.554 32.005 31.700 -0.415 0.000 0.823 42 L N 5.542 126.437 121.223 -0.547 0.000 2.276 42 L HA 0.342 4.684 4.340 0.002 0.000 0.286 42 L C -0.809 175.816 176.870 -0.409 0.000 1.024 42 L CA -0.149 54.419 54.840 -0.453 0.000 0.826 42 L CB -0.085 41.825 42.059 -0.249 0.000 1.211 42 L HN 0.374 nan 8.230 nan 0.000 0.422 43 H N 3.089 122.038 119.070 -0.203 0.000 2.511 43 H HA 0.472 5.029 4.556 0.002 0.000 0.328 43 H C -0.122 175.254 175.328 0.079 0.000 1.044 43 H CA -0.449 55.546 56.048 -0.088 0.000 1.212 43 H CB 1.286 30.935 29.762 -0.187 0.000 1.428 43 H HN 0.661 nan 8.280 nan 0.000 0.483 44 T N 1.510 116.212 114.554 0.246 0.000 2.934 44 T HA 0.726 5.078 4.350 0.002 0.000 0.283 44 T C 0.418 175.255 174.700 0.228 0.000 1.005 44 T CA -0.756 61.492 62.100 0.246 0.000 1.041 44 T CB 1.356 70.343 68.868 0.198 0.000 1.042 44 T HN 0.327 nan 8.240 nan 0.000 0.505 45 L N 0.436 121.787 121.223 0.213 0.000 2.183 45 L HA 0.473 4.814 4.340 0.002 0.000 0.253 45 L C 1.348 178.307 176.870 0.149 0.000 1.048 45 L CA -1.133 53.809 54.840 0.170 0.000 0.890 45 L CB 1.779 43.937 42.059 0.165 0.000 1.476 45 L HN 0.736 nan 8.230 nan 0.000 0.455 46 S N -2.485 113.300 115.700 0.143 0.000 2.404 46 S HA 0.043 4.514 4.470 0.002 0.000 0.223 46 S C 0.160 174.877 174.600 0.194 0.000 1.040 46 S CA 0.565 58.849 58.200 0.140 0.000 0.957 46 S CB 0.027 63.303 63.200 0.127 0.000 0.826 46 S HN 0.484 nan 8.310 nan 0.000 0.491 47 H N -0.264 118.855 119.070 0.081 0.000 2.717 47 H HA 0.254 4.811 4.556 0.002 0.000 0.366 47 H C -0.035 175.328 175.328 0.059 0.000 1.132 47 H CA -0.552 55.541 56.048 0.074 0.000 1.180 47 H CB 1.515 31.330 29.762 0.088 0.000 1.678 47 H HN -0.069 nan 8.280 nan 0.000 0.537 48 E N 2.816 123.022 120.200 0.010 0.000 2.160 48 E HA -0.131 4.221 4.350 0.002 0.000 0.195 48 E C -1.318 175.176 176.600 -0.178 0.000 0.991 48 E CA 1.402 57.767 56.400 -0.058 0.000 0.810 48 E CB -0.748 28.931 29.700 -0.034 0.000 0.742 48 E HN 0.552 nan 8.360 nan 0.000 0.466 49 P HA -0.214 nan 4.420 nan 0.000 0.216 49 P C 1.030 178.086 177.300 -0.407 0.000 1.153 49 P CA 2.070 64.908 63.100 -0.436 0.000 0.858 49 P CB -0.033 31.513 31.700 -0.257 0.000 0.789 50 A N -0.829 121.953 122.820 -0.064 0.000 1.972 50 A HA -0.152 4.169 4.320 0.002 0.000 0.219 50 A C 2.316 179.872 177.584 -0.047 0.000 1.169 50 A CA 1.634 53.698 52.037 0.045 0.000 0.635 50 A CB -1.690 17.354 19.000 0.074 0.000 0.810 50 A HN 0.026 nan 8.150 nan 0.000 0.446 51 V N -0.161 119.734 119.914 -0.031 0.000 2.295 51 V HA -0.197 3.924 4.120 0.002 0.000 0.246 51 V C 2.813 178.867 176.094 -0.067 0.000 1.049 51 V CA 2.079 64.390 62.300 0.018 0.000 1.024 51 V CB -1.386 30.499 31.823 0.103 0.000 0.648 51 V HN 0.603 nan 8.190 nan 0.000 0.447 52 G N -0.830 107.882 108.800 -0.147 0.000 2.402 52 G HA2 -0.206 3.755 3.960 0.002 0.000 0.216 52 G HA3 -0.206 3.755 3.960 0.002 0.000 0.216 52 G C 1.403 176.227 174.900 -0.127 0.000 1.162 52 G CA 0.701 45.703 45.100 -0.162 0.000 0.777 52 G HN 0.435 nan 8.290 nan 0.000 0.539 53 F N 1.800 121.695 119.950 -0.092 0.000 2.186 53 F HA 0.131 4.659 4.527 0.002 0.000 0.299 53 F C 2.965 178.555 175.800 -0.350 0.000 1.090 53 F CA 0.347 58.247 58.000 -0.167 0.000 1.307 53 F CB -0.761 38.096 39.000 -0.239 0.000 1.019 53 F HN 0.249 nan 8.300 nan 0.000 0.489 54 A N -0.026 122.635 122.820 -0.266 0.000 1.898 54 A HA 0.019 4.340 4.320 0.002 0.000 0.216 54 A C 2.444 179.566 177.584 -0.769 0.000 1.181 54 A CA 1.637 53.276 52.037 -0.663 0.000 0.620 54 A CB -1.225 17.166 19.000 -1.015 0.000 0.819 54 A HN 0.275 nan 8.150 nan 0.000 0.442 55 A N -0.113 122.411 122.820 -0.494 0.000 1.930 55 A HA -0.167 4.155 4.320 0.002 0.000 0.217 55 A C 1.897 179.484 177.584 0.005 0.000 1.175 55 A CA 2.020 54.003 52.037 -0.090 0.000 0.627 55 A CB -0.546 18.522 19.000 0.112 0.000 0.815 55 A HN 0.515 nan 8.150 nan 0.000 0.443 56 D N 0.241 120.651 120.400 0.016 0.000 2.084 56 D HA -0.075 4.566 4.640 0.002 0.000 0.194 56 D C 2.098 178.462 176.300 0.107 0.000 0.990 56 D CA 1.778 55.845 54.000 0.111 0.000 0.826 56 D CB -0.347 40.596 40.800 0.238 0.000 0.971 56 D HN 0.297 nan 8.370 nan 0.000 0.453 57 A N 0.719 123.551 122.820 0.020 0.000 1.908 57 A HA -0.022 4.299 4.320 0.002 0.000 0.218 57 A C 2.425 180.047 177.584 0.063 0.000 1.181 57 A CA 2.602 54.644 52.037 0.008 0.000 0.627 57 A CB -1.007 17.874 19.000 -0.199 0.000 0.818 57 A HN 0.343 nan 8.150 nan 0.000 0.445 58 A N -0.260 122.580 122.820 0.034 0.000 1.933 58 A HA 0.180 4.501 4.320 0.002 0.000 0.218 58 A C 2.494 180.183 177.584 0.175 0.000 1.175 58 A CA 2.019 54.143 52.037 0.146 0.000 0.628 58 A CB -0.955 18.219 19.000 0.290 0.000 0.814 58 A HN 1.044 nan 8.150 nan 0.000 0.444 59 A N -0.058 122.843 122.820 0.135 0.000 1.902 59 A HA -0.158 4.163 4.320 0.002 0.000 0.217 59 A C 2.254 179.895 177.584 0.095 0.000 1.181 59 A CA 1.511 53.613 52.037 0.109 0.000 0.623 59 A CB -0.451 18.600 19.000 0.084 0.000 0.818 59 A HN 0.554 nan 8.150 nan 0.000 0.443 60 R N -2.322 118.240 120.500 0.103 0.000 2.075 60 R HA -0.122 4.219 4.340 0.002 0.000 0.232 60 R C 2.152 178.497 176.300 0.076 0.000 1.126 60 R CA 1.540 57.684 56.100 0.074 0.000 0.963 60 R CB -0.541 29.816 30.300 0.095 0.000 0.858 60 R HN 0.673 nan 8.270 nan 0.000 0.435 61 Y N 1.057 121.368 120.300 0.018 0.000 2.165 61 Y HA -0.208 4.343 4.550 0.002 0.000 0.286 61 Y C 1.737 177.643 175.900 0.011 0.000 1.155 61 Y CA 1.773 59.880 58.100 0.012 0.000 1.164 61 Y CB 0.209 38.681 38.460 0.021 0.000 0.978 61 Y HN -0.099 nan 8.280 nan 0.000 0.513 62 S N -0.944 114.858 115.700 0.170 0.000 2.554 62 S HA 0.109 4.580 4.470 0.002 0.000 0.226 62 S C 0.399 175.019 174.600 0.033 0.000 0.980 62 S CA 0.497 58.753 58.200 0.094 0.000 0.939 62 S CB 0.118 63.423 63.200 0.176 0.000 0.832 62 S HN 0.360 nan 8.310 nan 0.000 0.486 63 S N 1.681 117.389 115.700 0.014 0.000 3.628 63 S HA -0.140 4.331 4.470 0.002 0.000 0.373 63 S C 0.094 174.704 174.600 0.016 0.000 0.968 63 S CA 1.060 59.255 58.200 -0.008 0.000 1.215 63 S CB -1.523 61.657 63.200 -0.032 0.000 0.912 63 S HN 0.698 nan 8.310 nan 0.000 0.495 64 T N -0.556 114.021 114.554 0.039 0.000 2.626 64 T HA 0.698 5.049 4.350 0.002 0.000 0.279 64 T C -0.597 174.134 174.700 0.052 0.000 0.983 64 T CA -0.880 61.248 62.100 0.047 0.000 1.059 64 T CB 0.689 69.592 68.868 0.059 0.000 1.396 64 T HN 0.237 nan 8.240 nan 0.000 0.519 65 L N 1.648 122.904 121.223 0.054 0.000 2.380 65 L HA 0.561 4.902 4.340 0.002 0.000 0.273 65 L C 1.097 178.015 176.870 0.080 0.000 1.138 65 L CA -0.574 54.300 54.840 0.057 0.000 0.832 65 L CB 0.655 42.743 42.059 0.047 0.000 1.124 65 L HN 0.764 nan 8.230 nan 0.000 0.454 66 G N 2.110 110.964 108.800 0.091 0.000 2.434 66 G HA2 0.590 4.552 3.960 0.002 0.000 0.330 66 G HA3 0.590 4.552 3.960 0.002 0.000 0.330 66 G C -1.038 173.938 174.900 0.127 0.000 1.155 66 G CA -0.352 44.828 45.100 0.134 0.000 0.917 66 G HN 0.335 nan 8.290 nan 0.000 0.493 67 V N 0.411 120.430 119.914 0.176 0.000 2.525 67 V HA 0.699 4.821 4.120 0.002 0.000 0.299 67 V C -0.007 176.199 176.094 0.188 0.000 1.034 67 V CA -0.820 61.558 62.300 0.130 0.000 0.863 67 V CB 1.322 33.187 31.823 0.070 0.000 0.999 67 V HN 1.144 nan 8.190 nan 0.000 0.423 68 A N 3.834 126.733 122.820 0.132 0.000 2.311 68 A HA 0.922 5.243 4.320 0.002 0.000 0.306 68 A C -0.079 177.564 177.584 0.098 0.000 1.189 68 A CA -0.283 51.842 52.037 0.147 0.000 0.791 68 A CB 1.231 20.298 19.000 0.112 0.000 1.172 68 A HN 1.331 nan 8.150 nan 0.000 0.481 69 A N 2.404 125.307 122.820 0.138 0.000 2.288 69 A HA 0.774 5.095 4.320 0.002 0.000 0.320 69 A C 0.074 177.854 177.584 0.326 0.000 1.217 69 A CA -0.125 52.005 52.037 0.156 0.000 0.840 69 A CB 0.599 19.628 19.000 0.048 0.000 1.179 69 A HN 2.079 nan 8.150 nan 0.000 0.504 70 V N -0.503 119.553 119.914 0.236 0.000 3.167 70 V HA 0.884 5.005 4.120 0.002 0.000 0.310 70 V C -0.061 176.142 176.094 0.181 0.000 1.207 70 V CA -0.515 61.906 62.300 0.202 0.000 1.059 70 V CB 1.287 33.165 31.823 0.092 0.000 1.079 70 V HN 0.844 nan 8.190 nan 0.000 0.446 71 T N -0.259 114.375 114.554 0.133 0.000 2.945 71 T HA 0.548 4.899 4.350 0.002 0.000 0.286 71 T C -0.967 173.842 174.700 0.181 0.000 1.025 71 T CA -0.243 61.958 62.100 0.168 0.000 1.039 71 T CB 0.912 69.854 68.868 0.123 0.000 1.068 71 T HN 0.740 nan 8.240 nan 0.000 0.497 72 Y N 2.655 123.032 120.300 0.128 0.000 2.702 72 Y HA 0.364 4.916 4.550 0.002 0.000 0.336 72 Y C 1.206 177.168 175.900 0.102 0.000 1.235 72 Y CA 1.923 60.064 58.100 0.070 0.000 1.492 72 Y CB -0.171 38.312 38.460 0.038 0.000 1.308 72 Y HN 1.104 nan 8.280 nan 0.000 0.589 73 G N 2.852 111.384 108.800 -0.447 0.000 2.554 73 G HA2 -0.258 3.703 3.960 0.002 0.000 0.253 73 G HA3 -0.258 3.703 3.960 0.002 0.000 0.253 73 G C 1.017 175.943 174.900 0.043 0.000 1.172 73 G CA 0.358 45.364 45.100 -0.157 0.000 0.950 73 G HN 1.378 nan 8.290 nan 0.000 0.557 74 A N -0.083 122.858 122.820 0.202 0.000 1.917 74 A HA 0.150 4.472 4.320 0.002 0.000 0.219 74 A C 3.067 180.748 177.584 0.162 0.000 1.182 74 A CA 3.538 55.712 52.037 0.228 0.000 0.633 74 A CB -1.367 17.735 19.000 0.170 0.000 0.819 74 A HN 2.334 nan 8.150 nan 0.000 0.448 75 G N -0.682 108.183 108.800 0.107 0.000 2.459 75 G HA2 -0.052 3.909 3.960 0.002 0.000 0.217 75 G HA3 -0.052 3.909 3.960 0.002 0.000 0.217 75 G C 1.787 176.727 174.900 0.065 0.000 1.183 75 G CA 1.743 46.896 45.100 0.088 0.000 0.776 75 G HN 0.900 nan 8.290 nan 0.000 0.552 76 A N 0.181 122.996 122.820 -0.008 0.000 1.898 76 A HA 0.181 4.502 4.320 0.002 0.000 0.216 76 A C 2.155 179.817 177.584 0.130 0.000 1.181 76 A CA 1.338 53.367 52.037 -0.013 0.000 0.620 76 A CB -0.506 18.353 19.000 -0.235 0.000 0.819 76 A HN 0.266 nan 8.150 nan 0.000 0.442 77 F N 0.325 120.349 119.950 0.122 0.000 2.269 77 F HA -0.090 4.439 4.527 0.002 0.000 0.301 77 F C 2.007 177.807 175.800 0.000 0.000 1.082 77 F CA 1.274 59.301 58.000 0.045 0.000 1.360 77 F CB -0.598 38.400 39.000 -0.004 0.000 1.041 77 F HN 0.254 nan 8.300 nan 0.000 0.512 78 N N -0.298 118.509 118.700 0.178 0.000 2.521 78 N HA -0.078 4.663 4.740 0.002 0.000 0.188 78 N C 1.338 176.827 175.510 -0.035 0.000 1.146 78 N CA 0.533 53.612 53.050 0.049 0.000 0.893 78 N CB -0.205 38.298 38.487 0.027 0.000 0.975 78 N HN 0.277 nan 8.380 nan 0.000 0.451 79 M N -0.912 118.704 119.600 0.027 0.000 2.346 79 M HA 0.156 4.637 4.480 0.002 0.000 0.280 79 M C 0.719 177.003 176.300 -0.026 0.000 1.075 79 M CA -0.024 55.262 55.300 -0.023 0.000 0.989 79 M CB 0.546 33.175 32.600 0.049 0.000 1.447 79 M HN -0.146 nan 8.290 nan 0.000 0.511 80 V N 1.236 121.118 119.914 -0.054 0.000 2.332 80 V HA -0.293 3.828 4.120 0.002 0.000 0.248 80 V C 1.994 178.005 176.094 -0.137 0.000 1.055 80 V CA 2.301 64.479 62.300 -0.203 0.000 1.038 80 V CB -0.825 30.863 31.823 -0.224 0.000 0.651 80 V HN 0.632 nan 8.190 nan 0.000 0.450 81 N N 0.653 119.309 118.700 -0.072 0.000 2.106 81 N HA -0.133 4.608 4.740 0.002 0.000 0.188 81 N C 1.745 177.246 175.510 -0.014 0.000 1.029 81 N CA 1.810 54.873 53.050 0.022 0.000 0.848 81 N CB -0.369 38.169 38.487 0.086 0.000 1.007 81 N HN 0.387 nan 8.380 nan 0.000 0.423 82 A N -0.027 122.673 122.820 -0.200 0.000 1.933 82 A HA -0.065 4.256 4.320 0.002 0.000 0.218 82 A C 2.414 179.932 177.584 -0.110 0.000 1.175 82 A CA 1.664 53.515 52.037 -0.310 0.000 0.628 82 A CB -0.871 17.667 19.000 -0.770 0.000 0.814 82 A HN 0.199 nan 8.150 nan 0.000 0.444 83 V N -0.283 119.580 119.914 -0.084 0.000 2.358 83 V HA -0.199 3.923 4.120 0.002 0.000 0.246 83 V C 3.031 179.091 176.094 -0.056 0.000 1.047 83 V CA 1.750 64.043 62.300 -0.012 0.000 1.035 83 V CB -1.154 30.713 31.823 0.073 0.000 0.658 83 V HN 0.610 nan 8.190 nan 0.000 0.452 84 A N 0.645 123.384 122.820 -0.136 0.000 1.902 84 A HA -0.105 4.216 4.320 0.002 0.000 0.217 84 A C 2.413 179.723 177.584 -0.458 0.000 1.181 84 A CA 1.952 53.874 52.037 -0.192 0.000 0.623 84 A CB -1.181 17.755 19.000 -0.107 0.000 0.818 84 A HN 0.525 nan 8.150 nan 0.000 0.443 85 G N -0.614 107.725 108.800 -0.768 0.000 2.422 85 G HA2 0.021 3.982 3.960 0.002 0.000 0.218 85 G HA3 0.021 3.982 3.960 0.002 0.000 0.218 85 G C 1.708 176.397 174.900 -0.352 0.000 1.146 85 G CA 1.369 45.793 45.100 -1.126 0.000 0.769 85 G HN 0.788 nan 8.290 nan 0.000 0.547 86 A N -0.129 122.626 122.820 -0.108 0.000 1.930 86 A HA 0.004 4.325 4.320 0.002 0.000 0.217 86 A C 2.159 179.757 177.584 0.024 0.000 1.175 86 A CA 1.568 53.611 52.037 0.008 0.000 0.627 86 A CB -0.640 18.395 19.000 0.059 0.000 0.815 86 A HN 0.481 nan 8.150 nan 0.000 0.443 87 Y N 0.531 120.780 120.300 -0.085 0.000 2.145 87 Y HA -0.120 4.431 4.550 0.002 0.000 0.286 87 Y C 2.667 178.562 175.900 -0.007 0.000 1.145 87 Y CA 1.565 59.643 58.100 -0.037 0.000 1.148 87 Y CB -0.351 38.083 38.460 -0.044 0.000 0.981 87 Y HN 0.319 nan 8.280 nan 0.000 0.507 88 A N 0.147 123.104 122.820 0.228 0.000 1.940 88 A HA -0.216 4.105 4.320 0.002 0.000 0.219 88 A C 1.672 179.369 177.584 0.188 0.000 1.176 88 A CA 2.042 54.216 52.037 0.229 0.000 0.631 88 A CB -0.552 18.551 19.000 0.171 0.000 0.814 88 A HN 0.671 nan 8.150 nan 0.000 0.446 89 E N -0.489 119.769 120.200 0.097 0.000 2.496 89 E HA 0.123 4.474 4.350 0.002 0.000 0.202 89 E C -0.662 175.971 176.600 0.056 0.000 1.021 89 E CA -0.463 56.004 56.400 0.110 0.000 1.015 89 E CB 0.281 30.002 29.700 0.035 0.000 1.102 89 E HN 0.246 nan 8.360 nan 0.000 0.452 90 K N 0.628 121.036 120.400 0.014 0.000 3.257 90 K HA -0.163 4.158 4.320 0.002 0.000 0.270 90 K C -0.589 175.966 176.600 -0.074 0.000 0.984 90 K CA 0.432 56.683 56.287 -0.060 0.000 0.739 90 K CB -1.890 30.605 32.500 -0.009 0.000 1.351 90 K HN 0.163 nan 8.250 nan 0.000 0.463 91 S N 1.258 116.931 115.700 -0.046 0.000 2.498 91 S HA 0.432 4.903 4.470 0.002 0.000 0.317 91 S C -2.423 172.173 174.600 -0.007 0.000 1.090 91 S CA -1.463 56.726 58.200 -0.017 0.000 1.089 91 S CB 1.372 64.591 63.200 0.032 0.000 0.997 91 S HN 0.039 nan 8.310 nan 0.000 0.470 92 P HA 0.157 nan 4.420 nan 0.000 0.252 92 P C -0.683 176.643 177.300 0.043 0.000 1.727 92 P CA -0.194 62.914 63.100 0.013 0.000 1.134 92 P CB 0.113 31.818 31.700 0.007 0.000 1.876 93 V N 4.662 124.611 119.914 0.058 0.000 2.406 93 V HA 0.091 4.212 4.120 0.002 0.000 0.272 93 V C 0.775 176.912 176.094 0.072 0.000 1.043 93 V CA -0.538 61.807 62.300 0.074 0.000 0.915 93 V CB 1.763 33.636 31.823 0.082 0.000 0.988 93 V HN 0.173 nan 8.190 nan 0.000 0.466 94 V N 6.747 126.697 119.914 0.060 0.000 2.389 94 V HA 0.195 4.316 4.120 0.002 0.000 0.264 94 V C 0.213 176.320 176.094 0.022 0.000 1.049 94 V CA -0.328 61.993 62.300 0.035 0.000 0.932 94 V CB 1.282 33.115 31.823 0.018 0.000 1.011 94 V HN 0.610 nan 8.190 nan 0.000 0.475 95 V N 7.406 127.332 119.914 0.019 0.000 2.432 95 V HA 0.388 4.509 4.120 0.002 0.000 0.271 95 V C 0.104 176.104 176.094 -0.155 0.000 1.046 95 V CA -0.126 62.164 62.300 -0.016 0.000 0.945 95 V CB 1.173 33.023 31.823 0.044 0.000 0.992 95 V HN 0.651 nan 8.190 nan 0.000 0.471 96 I N 4.332 124.792 120.570 -0.183 0.000 2.382 96 I HA 0.376 4.547 4.170 0.002 0.000 0.285 96 I C 0.065 175.999 176.117 -0.304 0.000 1.007 96 I CA 0.035 61.132 61.300 -0.338 0.000 1.142 96 I CB 1.737 39.489 38.000 -0.414 0.000 1.289 96 I HN 0.582 nan 8.210 nan 0.000 0.453 97 S N 4.203 119.689 115.700 -0.357 0.000 2.472 97 S HA 0.701 5.172 4.470 0.002 0.000 0.303 97 S C 0.178 174.697 174.600 -0.135 0.000 1.099 97 S CA -0.530 57.565 58.200 -0.175 0.000 1.077 97 S CB 1.369 64.504 63.200 -0.109 0.000 1.031 97 S HN 0.737 nan 8.310 nan 0.000 0.487 98 G N 2.196 111.004 108.800 0.014 0.000 2.606 98 G HA2 0.613 4.574 3.960 0.002 0.000 0.252 98 G HA3 0.613 4.574 3.960 0.002 0.000 0.252 98 G C -0.256 174.673 174.900 0.049 0.000 1.206 98 G CA 0.081 45.215 45.100 0.058 0.000 0.861 98 G HN 1.151 nan 8.290 nan 0.000 0.561 99 A N 1.432 124.176 122.820 -0.127 0.000 2.602 99 A HA 0.864 5.185 4.320 0.002 0.000 0.290 99 A C -2.998 174.109 177.584 -0.796 0.000 1.114 99 A CA -1.295 50.385 52.037 -0.594 0.000 0.683 99 A CB 1.257 19.964 19.000 -0.488 0.000 1.281 99 A HN 0.505 nan 8.150 nan 0.000 0.416 100 P HA 0.295 nan 4.420 nan 0.000 0.269 100 P C 0.527 177.600 177.300 -0.379 0.000 1.215 100 P CA 0.535 63.059 63.100 -0.960 0.000 0.780 100 P CB 0.548 31.732 31.700 -0.860 0.000 0.898 101 G N 0.501 109.217 108.800 -0.139 0.000 2.614 101 G HA2 0.145 4.106 3.960 0.002 0.000 0.239 101 G HA3 0.145 4.106 3.960 0.002 0.000 0.239 101 G C 1.215 176.056 174.900 -0.098 0.000 1.240 101 G CA 0.041 45.097 45.100 -0.073 0.000 0.842 101 G HN 0.557 nan 8.290 nan 0.000 0.584 102 T N -2.518 111.991 114.554 -0.076 0.000 2.977 102 T HA -0.186 4.165 4.350 0.002 0.000 0.271 102 T C 2.070 176.738 174.700 -0.054 0.000 1.105 102 T CA 1.967 64.024 62.100 -0.072 0.000 1.116 102 T CB -0.417 68.417 68.868 -0.057 0.000 0.878 102 T HN 0.703 nan 8.240 nan 0.000 0.509 103 T N -1.859 112.673 114.554 -0.037 0.000 3.060 103 T HA 0.278 4.629 4.350 0.002 0.000 0.249 103 T C 0.607 175.296 174.700 -0.018 0.000 1.079 103 T CA -0.414 61.672 62.100 -0.023 0.000 1.013 103 T CB 0.012 68.874 68.868 -0.010 0.000 0.975 103 T HN 0.519 nan 8.240 nan 0.000 0.518 120 T N -0.293 114.383 114.554 0.202 0.000 2.665 120 T HA -0.205 4.146 4.350 0.002 0.000 0.268 120 T C 2.156 177.022 174.700 0.276 0.000 1.035 120 T CA 2.208 64.440 62.100 0.220 0.000 1.151 120 T CB -0.193 68.814 68.868 0.231 0.000 0.862 120 T HN 0.637 nan 8.240 nan 0.000 0.438 121 Q N -0.358 119.578 119.800 0.227 0.000 2.050 121 Q HA -0.125 4.216 4.340 0.002 0.000 0.202 121 Q C 2.078 178.139 176.000 0.103 0.000 0.980 121 Q CA 1.504 57.314 55.803 0.012 0.000 0.840 121 Q CB -0.320 28.175 28.738 -0.405 0.000 0.898 121 Q HN 0.556 nan 8.270 nan 0.000 0.424 122 F N 0.903 120.893 119.950 0.067 0.000 2.134 122 F HA -0.261 4.267 4.527 0.002 0.000 0.299 122 F C 2.404 178.221 175.800 0.028 0.000 1.097 122 F CA 1.483 59.525 58.000 0.069 0.000 1.264 122 F CB 0.034 39.133 39.000 0.165 0.000 1.001 122 F HN 0.159 nan 8.300 nan 0.000 0.479 123 Q N -0.101 119.877 119.800 0.295 0.000 2.096 123 Q HA -0.155 4.186 4.340 0.002 0.000 0.204 123 Q C 2.533 178.556 176.000 0.038 0.000 0.982 123 Q CA 1.613 57.521 55.803 0.174 0.000 0.850 123 Q CB -1.056 27.768 28.738 0.145 0.000 0.901 123 Q HN 0.369 nan 8.270 nan 0.000 0.422 124 V N 0.176 120.101 119.914 0.018 0.000 2.307 124 V HA -0.201 3.920 4.120 0.002 0.000 0.245 124 V C 1.998 177.907 176.094 -0.308 0.000 1.045 124 V CA 1.486 63.723 62.300 -0.104 0.000 1.024 124 V CB -0.631 31.186 31.823 -0.009 0.000 0.651 124 V HN 0.171 nan 8.190 nan 0.000 0.449 125 F N 0.434 120.157 119.950 -0.379 0.000 2.293 125 F HA -0.091 4.437 4.527 0.002 0.000 0.300 125 F C 2.287 177.850 175.800 -0.396 0.000 1.086 125 F CA 1.305 58.985 58.000 -0.533 0.000 1.375 125 F CB -0.344 37.958 39.000 -1.164 0.000 1.045 125 F HN 0.061 nan 8.300 nan 0.000 0.516 126 K N -0.064 120.217 120.400 -0.198 0.000 2.209 126 K HA -0.158 4.163 4.320 0.002 0.000 0.204 126 K C 1.724 178.271 176.600 -0.089 0.000 1.048 126 K CA 1.069 57.296 56.287 -0.100 0.000 0.940 126 K CB -0.120 32.384 32.500 0.007 0.000 0.729 126 K HN 0.179 nan 8.250 nan 0.000 0.451 127 E N 0.540 120.655 120.200 -0.143 0.000 2.347 127 E HA -0.090 4.261 4.350 0.002 0.000 0.196 127 E C 1.521 177.950 176.600 -0.285 0.000 1.008 127 E CA 0.831 57.126 56.400 -0.175 0.000 0.852 127 E CB 0.206 29.804 29.700 -0.169 0.000 0.783 127 E HN 0.531 nan 8.360 nan 0.000 0.505 128 I N -1.942 118.459 120.570 -0.282 0.000 3.817 128 I HA 0.245 4.416 4.170 0.002 0.000 0.325 128 I C -0.051 176.034 176.117 -0.055 0.000 1.550 128 I CA -0.389 60.707 61.300 -0.340 0.000 1.100 128 I CB 0.578 38.393 38.000 -0.308 0.000 1.216 128 I HN -0.240 nan 8.210 nan 0.000 0.481 129 T N -1.812 112.776 114.554 0.057 0.000 2.864 129 T HA 0.450 4.801 4.350 0.002 0.000 0.299 129 T C 0.602 175.449 174.700 0.246 0.000 1.166 129 T CA -0.055 62.181 62.100 0.227 0.000 1.007 129 T CB 2.078 71.043 68.868 0.162 0.000 1.219 129 T HN 0.035 nan 8.240 nan 0.000 0.506 130 V N -2.138 117.906 119.914 0.217 0.000 3.590 130 V HA 0.743 4.864 4.120 0.002 0.000 0.265 130 V C 0.623 176.780 176.094 0.105 0.000 1.239 130 V CA 0.542 62.937 62.300 0.159 0.000 1.117 130 V CB -0.904 30.971 31.823 0.087 0.000 0.818 130 V HN 1.330 nan 8.190 nan 0.000 0.451 131 A N -0.028 122.851 122.820 0.099 0.000 2.589 131 A HA 0.865 5.186 4.320 0.002 0.000 0.296 131 A C -1.455 176.185 177.584 0.092 0.000 1.062 131 A CA -0.673 51.417 52.037 0.088 0.000 0.686 131 A CB 1.919 20.960 19.000 0.068 0.000 1.282 131 A HN 0.370 nan 8.150 nan 0.000 0.404 132 Q N -0.617 119.249 119.800 0.110 0.000 2.456 132 Q HA 0.863 5.205 4.340 0.002 0.000 0.284 132 Q C -0.771 175.348 176.000 0.199 0.000 1.061 132 Q CA -0.001 55.870 55.803 0.114 0.000 0.799 132 Q CB 2.396 31.125 28.738 -0.014 0.000 1.445 132 Q HN 1.924 nan 8.270 nan 0.000 0.411 133 A N 0.947 123.871 122.820 0.174 0.000 2.566 133 A HA 0.761 5.082 4.320 0.002 0.000 0.297 133 A C -1.633 176.045 177.584 0.156 0.000 1.059 133 A CA -0.701 51.444 52.037 0.180 0.000 0.691 133 A CB 1.643 20.678 19.000 0.059 0.000 1.282 133 A HN 0.548 nan 8.150 nan 0.000 0.401 134 R N 2.861 123.457 120.500 0.160 0.000 2.265 134 R HA 0.530 4.871 4.340 0.002 0.000 0.328 134 R C -1.214 175.078 176.300 -0.013 0.000 0.969 134 R CA -0.610 55.530 56.100 0.067 0.000 0.832 134 R CB 0.425 30.738 30.300 0.021 0.000 1.139 134 R HN 0.708 nan 8.270 nan 0.000 0.457 135 L N 5.944 127.136 121.223 -0.052 0.000 2.423 135 L HA 0.143 4.484 4.340 0.002 0.000 0.249 135 L C 0.180 177.020 176.870 -0.050 0.000 1.276 135 L CA -0.143 54.667 54.840 -0.050 0.000 1.199 135 L CB 0.077 42.098 42.059 -0.064 0.000 1.407 135 L HN 0.690 nan 8.230 nan 0.000 0.410 136 D N -1.832 118.540 120.400 -0.046 0.000 2.402 136 D HA 0.038 4.679 4.640 0.002 0.000 0.216 136 D C 0.128 176.404 176.300 -0.039 0.000 1.128 136 D CA -0.165 53.806 54.000 -0.049 0.000 0.833 136 D CB 0.408 41.171 40.800 -0.061 0.000 0.971 136 D HN 0.117 nan 8.370 nan 0.000 0.503 137 D N 0.325 120.706 120.400 -0.032 0.000 2.402 137 D HA 0.217 4.858 4.640 0.002 0.000 0.252 137 D C -2.000 174.286 176.300 -0.022 0.000 1.294 137 D CA -1.968 52.016 54.000 -0.027 0.000 0.948 137 D CB 2.389 43.174 40.800 -0.024 0.000 1.202 137 D HN -0.259 nan 8.370 nan 0.000 0.561 138 P HA -0.140 nan 4.420 nan 0.000 0.216 138 P C 1.130 178.420 177.300 -0.017 0.000 1.153 138 P CA 1.463 64.551 63.100 -0.020 0.000 0.858 138 P CB 0.340 32.023 31.700 -0.029 0.000 0.789 139 A N -0.384 122.425 122.820 -0.018 0.000 1.972 139 A HA -0.188 4.133 4.320 0.002 0.000 0.219 139 A C 1.931 179.510 177.584 -0.008 0.000 1.169 139 A CA 1.662 53.691 52.037 -0.013 0.000 0.635 139 A CB -0.807 18.184 19.000 -0.014 0.000 0.810 139 A HN 0.211 nan 8.150 nan 0.000 0.446 140 K N -0.819 119.576 120.400 -0.009 0.000 2.358 140 K HA 0.371 4.692 4.320 0.002 0.000 0.197 140 K C 1.887 178.484 176.600 -0.004 0.000 1.025 140 K CA 0.443 56.726 56.287 -0.005 0.000 1.104 140 K CB 0.193 32.689 32.500 -0.006 0.000 0.855 140 K HN 0.369 nan 8.250 nan 0.000 0.531 141 A N 2.642 125.458 122.820 -0.007 0.000 1.883 141 A HA -0.090 4.231 4.320 0.002 0.000 0.217 141 A C -0.622 176.961 177.584 -0.002 0.000 1.186 141 A CA 1.294 53.327 52.037 -0.007 0.000 0.624 141 A CB -1.237 17.758 19.000 -0.008 0.000 0.822 141 A HN 0.099 nan 8.150 nan 0.000 0.444 142 P HA -0.144 nan 4.420 nan 0.000 0.215 142 P C 1.757 179.060 177.300 0.005 0.000 1.157 142 P CA 2.051 65.154 63.100 0.006 0.000 0.868 142 P CB -0.105 31.601 31.700 0.010 0.000 0.788 143 A N -0.317 122.506 122.820 0.004 0.000 1.930 143 A HA -0.184 4.137 4.320 0.002 0.000 0.217 143 A C 2.185 179.773 177.584 0.007 0.000 1.175 143 A CA 1.395 53.435 52.037 0.005 0.000 0.627 143 A CB -0.991 18.012 19.000 0.005 0.000 0.815 143 A HN 0.065 nan 8.150 nan 0.000 0.443 144 E N -0.007 120.196 120.200 0.005 0.000 2.106 144 E HA -0.111 4.240 4.350 0.002 0.000 0.192 144 E C 1.967 178.570 176.600 0.004 0.000 0.984 144 E CA 0.902 57.307 56.400 0.008 0.000 0.806 144 E CB -0.332 29.372 29.700 0.007 0.000 0.750 144 E HN 0.726 nan 8.360 nan 0.000 0.458 145 I N 1.051 121.620 120.570 -0.002 0.000 2.226 145 I HA -0.260 3.911 4.170 0.002 0.000 0.245 145 I C 2.491 178.609 176.117 0.002 0.000 1.100 145 I CA 1.086 62.383 61.300 -0.006 0.000 1.374 145 I CB -0.319 37.678 38.000 -0.005 0.000 1.057 145 I HN -0.003 nan 8.210 nan 0.000 0.413 146 A N 0.743 123.566 122.820 0.005 0.000 1.902 146 A HA -0.254 4.067 4.320 0.002 0.000 0.217 146 A C 2.441 180.031 177.584 0.009 0.000 1.181 146 A CA 1.835 53.876 52.037 0.006 0.000 0.623 146 A CB -0.654 18.349 19.000 0.006 0.000 0.818 146 A HN 0.375 nan 8.150 nan 0.000 0.443 147 R N -0.385 120.122 120.500 0.011 0.000 2.073 147 R HA -0.098 4.243 4.340 0.002 0.000 0.234 147 R C 1.927 178.238 176.300 0.019 0.000 1.134 147 R CA 1.952 58.061 56.100 0.015 0.000 0.952 147 R CB -0.448 29.864 30.300 0.019 0.000 0.850 147 R HN 0.284 nan 8.270 nan 0.000 0.433 148 V N 1.506 121.431 119.914 0.018 0.000 2.307 148 V HA -0.221 3.900 4.120 0.002 0.000 0.245 148 V C 2.397 178.502 176.094 0.018 0.000 1.045 148 V CA 1.612 63.925 62.300 0.021 0.000 1.024 148 V CB -0.378 31.453 31.823 0.012 0.000 0.651 148 V HN 0.348 nan 8.190 nan 0.000 0.449 149 L N 0.403 121.633 121.223 0.012 0.000 2.141 149 L HA -0.049 4.292 4.340 0.002 0.000 0.209 149 L C 2.622 179.503 176.870 0.019 0.000 1.094 149 L CA 1.554 56.403 54.840 0.014 0.000 0.763 149 L CB -1.152 40.914 42.059 0.011 0.000 0.908 149 L HN 0.482 nan 8.230 nan 0.000 0.437 150 G N -0.215 108.594 108.800 0.015 0.000 2.422 150 G HA2 -0.203 3.759 3.960 0.002 0.000 0.218 150 G HA3 -0.203 3.759 3.960 0.002 0.000 0.218 150 G C 1.782 176.691 174.900 0.015 0.000 1.146 150 G CA 0.785 45.893 45.100 0.013 0.000 0.769 150 G HN 0.454 nan 8.290 nan 0.000 0.547 151 A N 1.160 123.991 122.820 0.019 0.000 1.898 151 A HA 0.347 4.668 4.320 0.002 0.000 0.216 151 A C 2.811 180.408 177.584 0.023 0.000 1.181 151 A CA 2.010 54.059 52.037 0.019 0.000 0.620 151 A CB -0.741 18.276 19.000 0.028 0.000 0.819 151 A HN 0.713 nan 8.150 nan 0.000 0.442 152 A N 0.077 122.913 122.820 0.027 0.000 1.883 152 A HA -0.200 4.121 4.320 0.002 0.000 0.217 152 A C 2.260 179.869 177.584 0.040 0.000 1.186 152 A CA 1.706 53.759 52.037 0.028 0.000 0.624 152 A CB -0.460 18.558 19.000 0.030 0.000 0.822 152 A HN 0.561 nan 8.150 nan 0.000 0.444 153 R N -0.732 119.798 120.500 0.050 0.000 2.073 153 R HA 0.027 4.368 4.340 0.002 0.000 0.229 153 R C 2.444 178.824 176.300 0.133 0.000 1.120 153 R CA 1.103 57.255 56.100 0.085 0.000 0.967 153 R CB -0.399 29.937 30.300 0.060 0.000 0.862 153 R HN 0.500 nan 8.270 nan 0.000 0.436 154 A N 0.808 123.663 122.820 0.059 0.000 1.968 154 A HA -0.142 4.179 4.320 0.002 0.000 0.217 154 A C 1.754 179.368 177.584 0.052 0.000 1.169 154 A CA 1.104 53.145 52.037 0.008 0.000 0.638 154 A CB -0.047 18.935 19.000 -0.031 0.000 0.812 154 A HN 0.304 nan 8.150 nan 0.000 0.446 155 Q N -1.581 118.253 119.800 0.057 0.000 2.281 155 Q HA 0.206 4.547 4.340 0.002 0.000 0.215 155 Q C 0.296 176.290 176.000 -0.009 0.000 0.867 155 Q CA 0.416 56.225 55.803 0.010 0.000 0.940 155 Q CB 0.748 29.450 28.738 -0.060 0.000 1.111 155 Q HN 0.440 nan 8.270 nan 0.000 0.513 156 S N 0.745 116.464 115.700 0.032 0.000 3.628 156 S HA -0.184 4.287 4.470 0.002 0.000 0.373 156 S C -0.562 173.960 174.600 -0.130 0.000 0.968 156 S CA 0.503 58.654 58.200 -0.081 0.000 1.215 156 S CB -0.644 62.391 63.200 -0.275 0.000 0.912 156 S HN 0.359 nan 8.310 nan 0.000 0.495 157 R N 0.045 120.479 120.500 -0.110 0.000 2.799 157 R HA 0.495 4.836 4.340 0.002 0.000 0.270 157 R C -3.006 173.276 176.300 -0.031 0.000 1.010 157 R CA -2.376 53.629 56.100 -0.158 0.000 0.916 157 R CB 1.177 31.250 30.300 -0.379 0.000 1.228 157 R HN 0.108 nan 8.270 nan 0.000 0.469 158 P HA 0.018 nan 4.420 nan 0.000 0.269 158 P C -0.804 176.569 177.300 0.121 0.000 1.215 158 P CA -0.259 62.902 63.100 0.102 0.000 0.780 158 P CB 0.615 32.407 31.700 0.154 0.000 0.898 159 V N -0.628 119.353 119.914 0.110 0.000 3.130 159 V HA 0.655 4.776 4.120 0.002 0.000 0.310 159 V C -1.608 174.566 176.094 0.132 0.000 1.158 159 V CA -1.010 61.355 62.300 0.108 0.000 1.029 159 V CB 2.150 34.010 31.823 0.061 0.000 1.057 159 V HN 0.412 nan 8.190 nan 0.000 0.436 160 Y N 1.881 122.139 120.300 -0.070 0.000 2.361 160 Y HA 0.817 5.369 4.550 0.002 0.000 0.337 160 Y C -1.263 174.535 175.900 -0.170 0.000 0.965 160 Y CA -1.259 56.736 58.100 -0.175 0.000 1.091 160 Y CB 1.787 40.093 38.460 -0.256 0.000 1.182 160 Y HN 0.785 nan 8.280 nan 0.000 0.450 161 L N 6.170 126.984 121.223 -0.682 0.000 2.349 161 L HA 0.475 4.816 4.340 0.002 0.000 0.278 161 L C -0.784 175.599 176.870 -0.812 0.000 0.996 161 L CA -0.704 53.788 54.840 -0.580 0.000 0.825 161 L CB 2.091 43.952 42.059 -0.330 0.000 1.243 161 L HN 0.626 nan 8.230 nan 0.000 0.412 162 E N 4.401 124.214 120.200 -0.644 0.000 2.133 162 E HA 0.517 4.868 4.350 0.002 0.000 0.274 162 E C -1.191 175.259 176.600 -0.251 0.000 0.930 162 E CA -0.552 55.580 56.400 -0.447 0.000 0.770 162 E CB 1.376 30.963 29.700 -0.188 0.000 1.104 162 E HN 0.486 nan 8.360 nan 0.000 0.403 163 I N 6.629 127.052 120.570 -0.244 0.000 2.390 163 I HA 0.297 4.469 4.170 0.002 0.000 0.283 163 I C -2.278 173.761 176.117 -0.131 0.000 1.016 163 I CA -2.522 58.670 61.300 -0.180 0.000 1.151 163 I CB 1.513 39.379 38.000 -0.223 0.000 1.293 163 I HN 0.334 nan 8.210 nan 0.000 0.458 164 P HA 0.021 nan 4.420 nan 0.000 0.265 164 P C 0.729 178.001 177.300 -0.046 0.000 1.193 164 P CA -0.242 62.783 63.100 -0.125 0.000 0.765 164 P CB 0.509 32.141 31.700 -0.114 0.000 0.823 165 R N 3.856 124.353 120.500 -0.004 0.000 2.139 165 R HA -0.199 4.142 4.340 0.002 0.000 0.243 165 R C 1.021 177.357 176.300 0.059 0.000 1.145 165 R CA 1.924 58.072 56.100 0.079 0.000 0.976 165 R CB -1.047 29.354 30.300 0.169 0.000 0.866 165 R HN 0.438 nan 8.270 nan 0.000 0.449 166 N N 0.324 119.041 118.700 0.028 0.000 2.521 166 N HA -0.071 4.670 4.740 0.002 0.000 0.188 166 N C 1.025 176.542 175.510 0.012 0.000 1.146 166 N CA 0.646 53.709 53.050 0.021 0.000 0.893 166 N CB 0.128 38.620 38.487 0.008 0.000 0.975 166 N HN 0.283 nan 8.380 nan 0.000 0.451 167 M N -0.133 119.473 119.600 0.009 0.000 2.414 167 M HA 0.167 4.648 4.480 0.002 0.000 0.251 167 M C 1.661 177.978 176.300 0.029 0.000 1.116 167 M CA 0.032 55.335 55.300 0.005 0.000 1.056 167 M CB -0.080 32.511 32.600 -0.017 0.000 1.388 167 M HN -0.087 nan 8.290 nan 0.000 0.487 168 V N 1.836 121.785 119.914 0.059 0.000 2.324 168 V HA -0.297 3.824 4.120 0.002 0.000 0.250 168 V C 1.225 177.366 176.094 0.077 0.000 1.060 168 V CA 2.004 64.368 62.300 0.106 0.000 1.042 168 V CB -0.896 31.020 31.823 0.154 0.000 0.650 168 V HN 0.552 nan 8.190 nan 0.000 0.450 169 N N -0.347 118.384 118.700 0.051 0.000 2.270 169 N HA 0.371 5.112 4.740 0.002 0.000 0.198 169 N C 0.326 175.849 175.510 0.022 0.000 1.117 169 N CA 0.340 53.411 53.050 0.036 0.000 0.845 169 N CB 0.223 38.728 38.487 0.030 0.000 0.980 169 N HN 0.471 nan 8.380 nan 0.000 0.486 170 A N 0.884 123.713 122.820 0.015 0.000 2.462 170 A HA 0.072 4.394 4.320 0.002 0.000 0.243 170 A C 0.311 177.891 177.584 -0.007 0.000 1.076 170 A CA 0.015 52.049 52.037 -0.005 0.000 0.773 170 A CB 0.323 19.317 19.000 -0.010 0.000 1.010 170 A HN 0.111 nan 8.150 nan 0.000 0.493 171 E N 0.627 120.802 120.200 -0.043 0.000 2.289 171 E HA 0.404 4.755 4.350 0.002 0.000 0.278 171 E C 0.073 176.645 176.600 -0.047 0.000 1.032 171 E CA -0.011 56.355 56.400 -0.056 0.000 0.854 171 E CB 1.243 30.792 29.700 -0.252 0.000 1.046 171 E HN 0.731 nan 8.360 nan 0.000 0.409 172 V N -0.510 119.418 119.914 0.023 0.000 3.181 172 V HA 0.499 4.620 4.120 0.002 0.000 0.308 172 V C -0.105 176.034 176.094 0.074 0.000 1.214 172 V CA -1.128 61.188 62.300 0.028 0.000 1.053 172 V CB 1.934 33.769 31.823 0.020 0.000 1.069 172 V HN 0.512 nan 8.190 nan 0.000 0.441 173 E N 2.566 122.799 120.200 0.054 0.000 2.349 173 E HA 0.396 4.747 4.350 0.002 0.000 0.262 173 E C -2.455 174.169 176.600 0.039 0.000 1.088 173 E CA -1.741 54.695 56.400 0.059 0.000 0.899 173 E CB 0.749 30.473 29.700 0.040 0.000 1.044 173 E HN 0.712 nan 8.360 nan 0.000 0.420 174 P HA -0.028 nan 4.420 nan 0.000 0.269 174 P C -0.380 176.929 177.300 0.014 0.000 1.215 174 P CA -0.060 63.051 63.100 0.019 0.000 0.780 174 P CB 0.527 32.233 31.700 0.010 0.000 0.898 175 V N 2.294 122.215 119.914 0.011 0.000 2.555 175 V HA 0.320 4.441 4.120 0.002 0.000 0.286 175 V C 1.451 177.549 176.094 0.006 0.000 1.044 175 V CA 0.492 62.798 62.300 0.009 0.000 1.026 175 V CB 0.436 32.264 31.823 0.008 0.000 0.981 175 V HN 0.834 nan 8.190 nan 0.000 0.480 176 G N 3.234 112.037 108.800 0.006 0.000 2.531 176 G HA2 0.307 4.268 3.960 0.002 0.000 0.253 176 G HA3 0.307 4.268 3.960 0.002 0.000 0.253 176 G C -0.433 174.470 174.900 0.004 0.000 1.439 176 G CA -0.565 44.538 45.100 0.004 0.000 1.056 176 G HN 0.631 nan 8.290 nan 0.000 0.555 177 D N 0.175 120.576 120.400 0.003 0.000 2.358 177 D HA 0.240 4.881 4.640 0.002 0.000 0.244 177 D C -0.107 176.195 176.300 0.002 0.000 1.163 177 D CA -0.119 53.882 54.000 0.002 0.000 0.945 177 D CB 0.552 41.352 40.800 0.000 0.000 1.152 177 D HN 0.107 nan 8.370 nan 0.000 0.451 178 D N 1.128 121.529 120.400 0.002 0.000 2.443 178 D HA 0.103 4.744 4.640 0.002 0.000 0.239 178 D C -1.868 174.432 176.300 -0.001 0.000 1.136 178 D CA -0.618 53.383 54.000 0.002 0.000 0.879 178 D CB -0.094 40.707 40.800 0.001 0.000 1.195 178 D HN 0.101 nan 8.370 nan 0.000 0.443 179 P HA 0.175 nan 4.420 nan 0.000 0.271 179 P C -1.063 176.233 177.300 -0.005 0.000 1.216 179 P CA -0.389 62.710 63.100 -0.001 0.000 0.771 179 P CB 0.666 32.367 31.700 0.002 0.000 0.864 180 A N 2.117 124.933 122.820 -0.007 0.000 2.328 180 A HA 0.503 4.824 4.320 0.002 0.000 0.284 180 A C -0.043 177.535 177.584 -0.012 0.000 1.160 180 A CA -0.476 51.554 52.037 -0.012 0.000 0.818 180 A CB -0.109 18.884 19.000 -0.012 0.000 1.087 180 A HN 0.718 nan 8.150 nan 0.000 0.504 181 W N 4.478 125.767 121.300 -0.017 0.000 2.351 181 W HA 0.571 5.233 4.660 0.002 0.000 0.320 181 W C -2.101 174.407 176.519 -0.019 0.000 0.947 181 W CA -2.465 54.871 57.345 -0.015 0.000 1.565 181 W CB -0.643 28.807 29.460 -0.017 0.000 1.409 181 W HN 0.824 nan 8.180 nan 0.000 0.399 182 P HA 0.241 nan 4.420 nan 0.000 0.264 182 P C 0.021 177.313 177.300 -0.012 0.000 1.193 182 P CA 0.388 63.479 63.100 -0.014 0.000 0.763 182 P CB 1.268 32.962 31.700 -0.010 0.000 0.810 183 V N 3.278 123.183 119.914 -0.016 0.000 2.686 183 V HA 0.026 4.147 4.120 0.002 0.000 0.295 183 V C 1.033 177.124 176.094 -0.004 0.000 1.055 183 V CA -0.265 62.028 62.300 -0.011 0.000 1.050 183 V CB 0.756 32.567 31.823 -0.019 0.000 0.984 183 V HN 0.624 nan 8.190 nan 0.000 0.482 184 D N 3.576 123.979 120.400 0.005 0.000 2.346 184 D HA 0.072 4.713 4.640 0.002 0.000 0.260 184 D C 1.292 177.596 176.300 0.007 0.000 1.252 184 D CA 0.086 54.093 54.000 0.011 0.000 0.895 184 D CB 0.626 41.440 40.800 0.023 0.000 1.097 184 D HN 0.442 nan 8.370 nan 0.000 0.489 185 R N 2.695 123.196 120.500 0.001 0.000 2.105 185 R HA -0.138 4.203 4.340 0.002 0.000 0.239 185 R C 1.134 177.432 176.300 -0.002 0.000 1.135 185 R CA 1.217 57.315 56.100 -0.004 0.000 0.967 185 R CB 0.134 30.431 30.300 -0.005 0.000 0.861 185 R HN 0.514 nan 8.270 nan 0.000 0.442 186 D N 0.384 120.789 120.400 0.007 0.000 2.117 186 D HA -0.099 4.542 4.640 0.002 0.000 0.198 186 D C 1.805 178.120 176.300 0.025 0.000 0.982 186 D CA 1.411 55.419 54.000 0.013 0.000 0.828 186 D CB -0.164 40.647 40.800 0.018 0.000 0.967 186 D HN 0.242 nan 8.370 nan 0.000 0.464 187 A N 0.892 123.737 122.820 0.042 0.000 1.898 187 A HA -0.116 4.205 4.320 0.002 0.000 0.216 187 A C 2.160 179.751 177.584 0.012 0.000 1.181 187 A CA 0.853 52.943 52.037 0.088 0.000 0.620 187 A CB -0.650 18.421 19.000 0.117 0.000 0.819 187 A HN 0.227 nan 8.150 nan 0.000 0.442 188 L N -0.135 121.077 121.223 -0.020 0.000 2.046 188 L HA -0.055 4.286 4.340 0.002 0.000 0.208 188 L C 2.619 179.428 176.870 -0.103 0.000 1.077 188 L CA 2.221 57.018 54.840 -0.071 0.000 0.747 188 L CB -0.804 41.230 42.059 -0.042 0.000 0.896 188 L HN 0.331 nan 8.230 nan 0.000 0.432 189 A N -0.406 122.377 122.820 -0.062 0.000 1.902 189 A HA -0.100 4.221 4.320 0.002 0.000 0.217 189 A C 2.463 179.996 177.584 -0.085 0.000 1.181 189 A CA 1.873 53.875 52.037 -0.059 0.000 0.623 189 A CB -1.227 17.755 19.000 -0.029 0.000 0.818 189 A HN 0.586 nan 8.150 nan 0.000 0.443 190 A N -1.110 121.668 122.820 -0.070 0.000 1.902 190 A HA -0.207 4.114 4.320 0.002 0.000 0.217 190 A C 2.416 179.840 177.584 -0.266 0.000 1.181 190 A CA 1.735 53.739 52.037 -0.056 0.000 0.623 190 A CB -1.417 17.645 19.000 0.102 0.000 0.818 190 A HN 0.810 nan 8.150 nan 0.000 0.443 191 C N -0.710 118.231 119.300 -0.598 0.000 2.436 191 C HA 0.075 4.536 4.460 0.002 0.000 0.277 191 C C 3.172 177.887 174.990 -0.459 0.000 1.241 191 C CA 1.385 59.770 59.018 -1.054 0.000 1.721 191 C CB -1.335 25.826 27.740 -0.965 0.000 2.043 191 C HN 0.688 nan 8.230 nan 0.000 0.472 192 A N 0.362 123.021 122.820 -0.269 0.000 1.908 192 A HA -0.191 4.131 4.320 0.002 0.000 0.218 192 A C 1.865 179.374 177.584 -0.126 0.000 1.181 192 A CA 2.364 54.310 52.037 -0.152 0.000 0.627 192 A CB -0.813 18.133 19.000 -0.090 0.000 0.818 192 A HN 0.680 nan 8.150 nan 0.000 0.445 193 D N -0.732 119.601 120.400 -0.112 0.000 2.097 193 D HA -0.160 4.481 4.640 0.002 0.000 0.195 193 D C 1.917 178.178 176.300 -0.065 0.000 0.989 193 D CA 1.540 55.498 54.000 -0.069 0.000 0.827 193 D CB -0.379 40.395 40.800 -0.043 0.000 0.966 193 D HN 0.722 nan 8.370 nan 0.000 0.456 194 E N 0.364 120.521 120.200 -0.072 0.000 2.072 194 E HA -0.125 4.226 4.350 0.002 0.000 0.191 194 E C 2.127 178.685 176.600 -0.070 0.000 0.985 194 E CA 0.593 56.981 56.400 -0.019 0.000 0.801 194 E CB 0.194 29.951 29.700 0.095 0.000 0.750 194 E HN -0.010 nan 8.360 nan 0.000 0.452 195 V N 1.269 121.093 119.914 -0.150 0.000 2.295 195 V HA -0.254 3.867 4.120 0.002 0.000 0.246 195 V C 2.425 178.388 176.094 -0.217 0.000 1.049 195 V CA 1.526 63.675 62.300 -0.253 0.000 1.024 195 V CB -0.464 31.139 31.823 -0.365 0.000 0.648 195 V HN 0.338 nan 8.190 nan 0.000 0.447 196 L N 0.746 121.886 121.223 -0.139 0.000 2.046 196 L HA -0.054 4.287 4.340 0.002 0.000 0.208 196 L C 2.440 179.273 176.870 -0.062 0.000 1.077 196 L CA 2.324 57.114 54.840 -0.082 0.000 0.747 196 L CB -1.035 40.997 42.059 -0.046 0.000 0.896 196 L HN 0.236 nan 8.230 nan 0.000 0.432 197 A N -0.634 122.154 122.820 -0.053 0.000 1.933 197 A HA -0.100 4.221 4.320 0.002 0.000 0.218 197 A C 2.436 179.998 177.584 -0.036 0.000 1.175 197 A CA 1.738 53.756 52.037 -0.031 0.000 0.628 197 A CB -1.060 17.930 19.000 -0.016 0.000 0.814 197 A HN 0.549 nan 8.150 nan 0.000 0.444 198 A N -1.027 121.758 122.820 -0.057 0.000 1.930 198 A HA -0.071 4.251 4.320 0.002 0.000 0.217 198 A C 2.119 179.665 177.584 -0.063 0.000 1.175 198 A CA 1.835 53.835 52.037 -0.061 0.000 0.627 198 A CB -0.421 18.525 19.000 -0.090 0.000 0.815 198 A HN 0.416 nan 8.150 nan 0.000 0.443 199 M N -0.676 118.875 119.600 -0.081 0.000 2.254 199 M HA -0.016 4.465 4.480 0.002 0.000 0.265 199 M C 2.072 178.362 176.300 -0.017 0.000 1.066 199 M CA 1.237 56.510 55.300 -0.046 0.000 1.123 199 M CB -1.082 31.496 32.600 -0.036 0.000 1.388 199 M HN 0.398 nan 8.290 nan 0.000 0.425 200 R N -0.129 120.360 120.500 -0.019 0.000 2.153 200 R HA -0.027 4.314 4.340 0.002 0.000 0.218 200 R C 2.296 178.592 176.300 -0.005 0.000 1.072 200 R CA 1.503 57.599 56.100 -0.007 0.000 0.990 200 R CB -0.156 30.140 30.300 -0.007 0.000 0.889 200 R HN 0.455 nan 8.270 nan 0.000 0.452 201 S N 0.167 115.862 115.700 -0.010 0.000 2.501 201 S HA 0.170 4.641 4.470 0.002 0.000 0.220 201 S C 0.969 175.567 174.600 -0.004 0.000 0.997 201 S CA -0.064 58.133 58.200 -0.005 0.000 0.919 201 S CB 0.252 63.450 63.200 -0.004 0.000 0.778 201 S HN 0.225 nan 8.310 nan 0.000 0.523 202 A N 1.409 124.225 122.820 -0.007 0.000 2.462 202 A HA 0.444 4.765 4.320 0.002 0.000 0.243 202 A C 1.284 178.868 177.584 0.001 0.000 1.076 202 A CA 0.336 52.370 52.037 -0.005 0.000 0.773 202 A CB 0.037 19.033 19.000 -0.007 0.000 1.010 202 A HN 0.296 nan 8.150 nan 0.000 0.493 203 T N 0.356 114.911 114.554 0.003 0.000 3.014 203 T HA 0.047 4.398 4.350 0.002 0.000 0.263 203 T C 0.841 175.545 174.700 0.007 0.000 1.078 203 T CA 1.696 63.800 62.100 0.005 0.000 1.135 203 T CB -0.173 68.699 68.868 0.006 0.000 0.895 203 T HN 0.723 nan 8.240 nan 0.000 0.480 204 S N 2.552 118.256 115.700 0.007 0.000 2.204 204 S HA 0.426 4.897 4.470 0.002 0.000 0.147 204 S C -2.939 171.668 174.600 0.011 0.000 1.711 204 S CA -1.348 56.858 58.200 0.010 0.000 1.274 204 S CB 0.986 64.191 63.200 0.009 0.000 1.257 204 S HN 0.239 nan 8.310 nan 0.000 0.404 205 P HA 0.357 nan 4.420 nan 0.000 0.275 205 P C -0.851 176.471 177.300 0.036 0.000 1.228 205 P CA -0.340 62.776 63.100 0.027 0.000 0.786 205 P CB 1.342 33.060 31.700 0.031 0.000 0.927 206 V N 3.609 123.553 119.914 0.050 0.000 2.733 206 V HA 0.229 4.350 4.120 0.002 0.000 0.306 206 V C -0.262 175.876 176.094 0.074 0.000 1.084 206 V CA -0.757 61.569 62.300 0.044 0.000 0.905 206 V CB 2.035 33.866 31.823 0.013 0.000 1.010 206 V HN 0.413 nan 8.190 nan 0.000 0.424 207 L N 5.950 127.203 121.223 0.051 0.000 2.265 207 L HA 0.638 4.979 4.340 0.002 0.000 0.289 207 L C -0.291 176.554 176.870 -0.042 0.000 1.033 207 L CA 0.188 55.038 54.840 0.016 0.000 0.814 207 L CB 1.047 43.099 42.059 -0.011 0.000 1.203 207 L HN 0.646 nan 8.230 nan 0.000 0.423 208 M N 6.284 125.844 119.600 -0.066 0.000 2.180 208 M HA 0.412 4.893 4.480 0.002 0.000 0.350 208 M C -0.603 175.638 176.300 -0.098 0.000 1.125 208 M CA -0.937 54.324 55.300 -0.065 0.000 1.031 208 M CB 1.645 34.210 32.600 -0.058 0.000 1.623 208 M HN 0.494 nan 8.290 nan 0.000 0.451 209 V N 1.194 121.066 119.914 -0.070 0.000 2.370 209 V HA 0.634 4.755 4.120 0.002 0.000 0.279 209 V C -0.275 175.799 176.094 -0.032 0.000 1.029 209 V CA -0.632 61.625 62.300 -0.071 0.000 0.870 209 V CB 0.503 32.286 31.823 -0.067 0.000 0.984 209 V HN 1.029 nan 8.190 nan 0.000 0.451 210 C N 2.949 122.241 119.300 -0.013 0.000 3.157 210 C HA 0.587 5.048 4.460 0.002 0.000 0.368 210 C C 1.803 176.815 174.990 0.037 0.000 1.623 210 C CA 0.117 59.154 59.018 0.031 0.000 1.530 210 C CB 1.290 29.067 27.740 0.061 0.000 2.152 210 C HN 0.751 nan 8.230 nan 0.000 0.456 211 V N 1.098 121.058 119.914 0.078 0.000 2.282 211 V HA -0.232 3.889 4.120 0.002 0.000 0.249 211 V C 2.242 178.334 176.094 -0.003 0.000 1.057 211 V CA 2.462 64.789 62.300 0.045 0.000 1.032 211 V CB -0.673 31.215 31.823 0.107 0.000 0.645 211 V HN 0.899 nan 8.190 nan 0.000 0.447 212 E N -0.721 119.513 120.200 0.056 0.000 2.204 212 E HA -0.173 4.179 4.350 0.002 0.000 0.195 212 E C 2.158 178.751 176.600 -0.012 0.000 0.990 212 E CA 1.390 57.762 56.400 -0.047 0.000 0.821 212 E CB -0.157 29.642 29.700 0.166 0.000 0.750 212 E HN 0.591 nan 8.360 nan 0.000 0.477 213 V N 1.166 121.098 119.914 0.030 0.000 2.343 213 V HA -0.281 3.840 4.120 0.002 0.000 0.247 213 V C 2.421 178.509 176.094 -0.011 0.000 1.051 213 V CA 2.081 64.397 62.300 0.026 0.000 1.036 213 V CB -0.465 31.353 31.823 -0.008 0.000 0.654 213 V HN 0.209 nan 8.190 nan 0.000 0.451 214 R N -0.239 120.228 120.500 -0.053 0.000 2.062 214 R HA -0.094 4.247 4.340 0.002 0.000 0.229 214 R C 2.588 178.825 176.300 -0.105 0.000 1.128 214 R CA 1.016 57.071 56.100 -0.075 0.000 0.960 214 R CB -0.158 30.088 30.300 -0.090 0.000 0.855 214 R HN 0.286 nan 8.270 nan 0.000 0.432 215 R N -0.154 120.230 120.500 -0.195 0.000 2.105 215 R HA -0.161 4.180 4.340 0.002 0.000 0.239 215 R C 1.564 177.695 176.300 -0.283 0.000 1.135 215 R CA 1.406 57.321 56.100 -0.308 0.000 0.967 215 R CB -0.625 29.358 30.300 -0.529 0.000 0.861 215 R HN 0.391 nan 8.270 nan 0.000 0.442 216 Y N -0.172 120.116 120.300 -0.019 0.000 2.461 216 Y HA 0.265 4.817 4.550 0.002 0.000 0.277 216 Y C 1.300 177.187 175.900 -0.021 0.000 1.182 216 Y CA -0.116 57.971 58.100 -0.022 0.000 1.276 216 Y CB -0.307 38.138 38.460 -0.026 0.000 1.087 216 Y HN 0.283 nan 8.280 nan 0.000 0.519 217 G N 1.013 109.859 108.800 0.075 0.000 2.273 217 G HA2 -0.290 3.671 3.960 0.002 0.000 0.280 217 G HA3 -0.290 3.671 3.960 0.002 0.000 0.280 217 G C 0.447 175.372 174.900 0.041 0.000 1.047 217 G CA 0.491 45.615 45.100 0.039 0.000 0.869 217 G HN 0.495 nan 8.290 nan 0.000 0.502 218 L N -0.816 120.436 121.223 0.049 0.000 2.685 218 L HA 0.236 4.577 4.340 0.002 0.000 0.233 218 L C 2.087 178.961 176.870 0.006 0.000 1.173 218 L CA 0.072 54.932 54.840 0.033 0.000 0.961 218 L CB 0.047 42.137 42.059 0.052 0.000 1.217 218 L HN 0.239 nan 8.230 nan 0.000 0.478 219 E N 1.443 121.640 120.200 -0.005 0.000 2.070 219 E HA -0.241 4.110 4.350 0.002 0.000 0.197 219 E C 2.393 178.983 176.600 -0.016 0.000 1.004 219 E CA 1.729 58.118 56.400 -0.018 0.000 0.805 219 E CB -0.176 29.508 29.700 -0.027 0.000 0.744 219 E HN 0.506 nan 8.360 nan 0.000 0.451 220 A N 1.238 124.051 122.820 -0.011 0.000 1.877 220 A HA -0.211 4.111 4.320 0.002 0.000 0.216 220 A C 1.941 179.520 177.584 -0.008 0.000 1.186 220 A CA 1.408 53.439 52.037 -0.010 0.000 0.620 220 A CB -0.284 18.712 19.000 -0.007 0.000 0.822 220 A HN -0.017 nan 8.150 nan 0.000 0.443 221 K N -0.294 120.102 120.400 -0.006 0.000 2.097 221 K HA -0.055 4.266 4.320 0.002 0.000 0.206 221 K C 1.920 178.513 176.600 -0.010 0.000 1.049 221 K CA 1.352 57.636 56.287 -0.005 0.000 0.933 221 K CB -0.650 31.849 32.500 -0.002 0.000 0.717 221 K HN 0.365 nan 8.250 nan 0.000 0.442 222 V N 1.250 121.153 119.914 -0.017 0.000 2.719 222 V HA -0.128 3.993 4.120 0.002 0.000 0.252 222 V C 2.360 178.437 176.094 -0.028 0.000 1.065 222 V CA 1.483 63.764 62.300 -0.032 0.000 1.086 222 V CB -0.498 31.298 31.823 -0.045 0.000 0.700 222 V HN 0.237 nan 8.190 nan 0.000 0.467 223 A N 0.215 123.022 122.820 -0.021 0.000 1.898 223 A HA -0.225 4.096 4.320 0.002 0.000 0.216 223 A C 2.194 179.771 177.584 -0.010 0.000 1.181 223 A CA 1.957 53.984 52.037 -0.017 0.000 0.620 223 A CB -0.397 18.594 19.000 -0.014 0.000 0.819 223 A HN 0.525 nan 8.150 nan 0.000 0.442 224 E N -0.192 120.003 120.200 -0.007 0.000 2.047 224 E HA -0.163 4.188 4.350 0.002 0.000 0.191 224 E C 1.804 178.405 176.600 0.002 0.000 0.987 224 E CA 1.295 57.694 56.400 -0.002 0.000 0.799 224 E CB -0.416 29.283 29.700 -0.001 0.000 0.752 224 E HN 0.404 nan 8.360 nan 0.000 0.449 225 L N 0.359 121.582 121.223 -0.000 0.000 2.012 225 L HA -0.074 4.267 4.340 0.002 0.000 0.210 225 L C 2.202 179.079 176.870 0.011 0.000 1.073 225 L CA 2.389 57.234 54.840 0.009 0.000 0.748 225 L CB -1.054 41.007 42.059 0.002 0.000 0.891 225 L HN 0.188 nan 8.230 nan 0.000 0.431 226 A N -1.088 121.729 122.820 -0.004 0.000 1.902 226 A HA -0.291 4.030 4.320 0.002 0.000 0.217 226 A C 2.337 179.925 177.584 0.007 0.000 1.181 226 A CA 1.857 53.893 52.037 -0.002 0.000 0.623 226 A CB -0.733 18.257 19.000 -0.016 0.000 0.818 226 A HN 0.688 nan 8.150 nan 0.000 0.443 227 Q N -0.514 119.289 119.800 0.005 0.000 2.079 227 Q HA -0.169 4.172 4.340 0.002 0.000 0.200 227 Q C 2.258 178.265 176.000 0.012 0.000 0.974 227 Q CA 1.499 57.306 55.803 0.007 0.000 0.840 227 Q CB -0.100 28.640 28.738 0.004 0.000 0.898 227 Q HN 0.674 nan 8.270 nan 0.000 0.430 228 R N -0.174 120.334 120.500 0.014 0.000 2.115 228 R HA -0.087 4.255 4.340 0.002 0.000 0.226 228 R C 2.277 178.592 176.300 0.024 0.000 1.100 228 R CA 0.747 56.857 56.100 0.017 0.000 0.980 228 R CB -0.206 30.105 30.300 0.017 0.000 0.875 228 R HN 0.237 nan 8.270 nan 0.000 0.445 229 L N 0.228 121.470 121.223 0.033 0.000 2.156 229 L HA 0.071 4.412 4.340 0.002 0.000 0.208 229 L C 1.199 178.091 176.870 0.037 0.000 1.095 229 L CA 1.899 56.766 54.840 0.046 0.000 0.770 229 L CB -0.485 41.618 42.059 0.073 0.000 0.914 229 L HN 0.469 nan 8.230 nan 0.000 0.439 230 G N -0.748 108.069 108.800 0.028 0.000 2.168 230 G HA2 -0.237 3.724 3.960 0.002 0.000 0.257 230 G HA3 -0.237 3.724 3.960 0.002 0.000 0.257 230 G C 0.363 175.278 174.900 0.025 0.000 0.997 230 G CA 0.590 45.703 45.100 0.023 0.000 0.708 230 G HN 0.799 nan 8.290 nan 0.000 0.520 231 V N -3.188 116.746 119.914 0.032 0.000 2.975 231 V HA 0.911 5.032 4.120 0.002 0.000 0.318 231 V C -1.881 174.229 176.094 0.027 0.000 1.077 231 V CA -2.796 59.524 62.300 0.033 0.000 1.000 231 V CB 1.555 33.408 31.823 0.049 0.000 1.066 231 V HN 0.023 nan 8.190 nan 0.000 0.452 232 P HA 0.271 nan 4.420 nan 0.000 0.265 232 P C -0.749 176.560 177.300 0.015 0.000 1.193 232 P CA 0.093 63.204 63.100 0.019 0.000 0.765 232 P CB 0.639 32.351 31.700 0.020 0.000 0.823 233 V N 4.401 124.320 119.914 0.007 0.000 2.435 233 V HA 0.435 4.556 4.120 0.002 0.000 0.290 233 V C 0.201 176.295 176.094 -0.000 0.000 1.030 233 V CA -0.400 61.898 62.300 -0.003 0.000 0.881 233 V CB 1.942 33.758 31.823 -0.011 0.000 0.983 233 V HN 0.245 nan 8.190 nan 0.000 0.445 234 V N 3.143 123.055 119.914 -0.003 0.000 2.925 234 V HA 0.651 4.772 4.120 0.002 0.000 0.311 234 V C 0.044 176.141 176.094 0.005 0.000 1.104 234 V CA -0.573 61.734 62.300 0.012 0.000 0.954 234 V CB 2.660 34.500 31.823 0.029 0.000 1.022 234 V HN 0.987 nan 8.190 nan 0.000 0.427 235 T N -0.508 114.056 114.554 0.016 0.000 2.945 235 T HA 0.703 5.054 4.350 0.002 0.000 0.286 235 T C 0.105 174.846 174.700 0.069 0.000 1.025 235 T CA -0.242 61.864 62.100 0.010 0.000 1.039 235 T CB 1.724 70.575 68.868 -0.028 0.000 1.068 235 T HN 0.898 nan 8.240 nan 0.000 0.497 236 T N -0.259 114.344 114.554 0.081 0.000 2.862 236 T HA 0.373 4.725 4.350 0.002 0.000 0.276 236 T C 0.869 175.670 174.700 0.168 0.000 0.974 236 T CA -0.822 61.392 62.100 0.191 0.000 0.966 236 T CB 0.422 69.419 68.868 0.215 0.000 1.072 236 T HN 0.533 nan 8.240 nan 0.000 0.538 237 F N 0.763 120.789 119.950 0.126 0.000 2.095 237 F HA -0.004 4.524 4.527 0.002 0.000 0.298 237 F C 2.209 177.918 175.800 -0.152 0.000 1.104 237 F CA 1.570 59.536 58.000 -0.056 0.000 1.232 237 F CB -0.473 38.485 39.000 -0.069 0.000 0.987 237 F HN 0.414 nan 8.300 nan 0.000 0.475 238 M N -0.369 119.146 119.600 -0.141 0.000 2.659 238 M HA 0.069 4.550 4.480 0.002 0.000 0.243 238 M C 1.615 177.803 176.300 -0.187 0.000 1.111 238 M CA 0.862 55.987 55.300 -0.291 0.000 1.070 238 M CB -0.547 31.956 32.600 -0.162 0.000 1.525 238 M HN 0.350 nan 8.290 nan 0.000 0.517 239 G N 0.033 108.755 108.800 -0.130 0.000 3.277 239 G HA2 0.067 4.028 3.960 0.002 0.000 0.243 239 G HA3 0.067 4.028 3.960 0.002 0.000 0.243 239 G C 0.508 175.322 174.900 -0.143 0.000 1.107 239 G CA -0.461 44.579 45.100 -0.100 0.000 0.771 239 G HN 0.325 nan 8.290 nan 0.000 0.544 240 R N 0.600 120.959 120.500 -0.236 0.000 2.494 240 R HA 0.264 4.605 4.340 0.002 0.000 0.291 240 R C 1.428 177.621 176.300 -0.179 0.000 0.953 240 R CA 1.383 57.340 56.100 -0.238 0.000 1.098 240 R CB -0.151 29.917 30.300 -0.387 0.000 0.911 240 R HN 0.423 nan 8.270 nan 0.000 0.407 241 G N 3.459 112.183 108.800 -0.126 0.000 2.225 241 G HA2 -0.285 3.677 3.960 0.002 0.000 0.254 241 G HA3 -0.285 3.677 3.960 0.002 0.000 0.254 241 G C 0.230 175.084 174.900 -0.078 0.000 0.988 241 G CA 0.111 45.155 45.100 -0.094 0.000 0.625 241 G HN 0.527 nan 8.290 nan 0.000 0.527 242 L N 0.451 121.626 121.223 -0.081 0.000 2.456 242 L HA 0.428 4.769 4.340 0.002 0.000 0.272 242 L C 1.609 178.450 176.870 -0.049 0.000 1.189 242 L CA -0.140 54.661 54.840 -0.065 0.000 0.846 242 L CB 0.781 42.802 42.059 -0.064 0.000 1.111 242 L HN 0.244 nan 8.230 nan 0.000 0.475 243 L N 2.233 123.431 121.223 -0.041 0.000 4.232 243 L HA -0.314 4.027 4.340 0.002 0.000 0.415 243 L C 1.557 178.412 176.870 -0.024 0.000 1.168 243 L CA 1.201 56.022 54.840 -0.031 0.000 0.966 243 L CB -1.731 40.310 42.059 -0.030 0.000 2.052 243 L HN 0.835 nan 8.230 nan 0.000 0.887 244 A N -1.034 121.770 122.820 -0.027 0.000 1.972 244 A HA -0.152 4.169 4.320 0.002 0.000 0.219 244 A C 1.617 179.196 177.584 -0.009 0.000 1.169 244 A CA 1.981 54.008 52.037 -0.016 0.000 0.635 244 A CB -0.220 18.770 19.000 -0.017 0.000 0.810 244 A HN 0.566 nan 8.150 nan 0.000 0.446 245 D N -0.303 120.089 120.400 -0.013 0.000 2.388 245 D HA 0.400 5.041 4.640 0.002 0.000 0.221 245 D C 0.515 176.810 176.300 -0.008 0.000 1.133 245 D CA 0.555 54.549 54.000 -0.009 0.000 0.831 245 D CB 0.100 40.893 40.800 -0.011 0.000 0.962 245 D HN 0.428 nan 8.370 nan 0.000 0.502 246 A N 1.362 124.176 122.820 -0.010 0.000 2.304 246 A HA 0.394 4.715 4.320 0.002 0.000 0.271 246 A C -1.393 176.188 177.584 -0.004 0.000 1.091 246 A CA -1.023 51.008 52.037 -0.009 0.000 0.812 246 A CB 0.646 19.638 19.000 -0.013 0.000 1.056 246 A HN -0.150 nan 8.150 nan 0.000 0.489 247 P HA -0.076 nan 4.420 nan 0.000 0.216 247 P C 0.558 177.858 177.300 0.001 0.000 1.150 247 P CA 2.041 65.141 63.100 -0.000 0.000 0.837 247 P CB 0.083 31.784 31.700 0.000 0.000 0.786 248 T N -4.308 110.246 114.554 -0.000 0.000 3.241 248 T HA 0.375 4.726 4.350 0.002 0.000 0.387 248 T C -2.834 171.864 174.700 -0.002 0.000 1.451 248 T CA -2.500 59.600 62.100 0.001 0.000 1.363 248 T CB 0.653 69.522 68.868 0.003 0.000 1.074 248 T HN -0.088 nan 8.240 nan 0.000 0.598 249 P HA 0.284 nan 4.420 nan 0.000 0.270 249 P C -2.659 174.638 177.300 -0.005 0.000 1.223 249 P CA -1.306 61.791 63.100 -0.005 0.000 0.785 249 P CB -0.336 31.364 31.700 -0.000 0.000 0.923 250 P HA 0.063 nan 4.420 nan 0.000 0.266 250 P C 1.166 178.464 177.300 -0.003 0.000 1.195 250 P CA 0.253 63.347 63.100 -0.010 0.000 0.768 250 P CB 0.213 31.901 31.700 -0.020 0.000 0.838 251 L N 0.738 121.964 121.223 0.005 0.000 2.201 251 L HA 0.143 4.484 4.340 0.002 0.000 0.212 251 L C 1.328 178.203 176.870 0.008 0.000 1.105 251 L CA 1.128 55.975 54.840 0.012 0.000 0.775 251 L CB -0.834 41.237 42.059 0.021 0.000 0.913 251 L HN 0.618 nan 8.230 nan 0.000 0.440 252 G N -1.267 107.532 108.800 -0.000 0.000 2.317 252 G HA2 0.232 4.193 3.960 0.002 0.000 0.293 252 G HA3 0.232 4.193 3.960 0.002 0.000 0.293 252 G C -1.374 173.523 174.900 -0.006 0.000 1.287 252 G CA -0.598 44.490 45.100 -0.020 0.000 0.850 252 G HN -0.227 nan 8.290 nan 0.000 0.515 253 T N 0.416 114.960 114.554 -0.017 0.000 2.807 253 T HA 0.510 4.861 4.350 0.002 0.000 0.279 253 T C -1.177 173.578 174.700 0.091 0.000 0.993 253 T CA -0.117 61.996 62.100 0.023 0.000 0.970 253 T CB 1.365 70.208 68.868 -0.041 0.000 0.950 253 T HN 0.547 nan 8.240 nan 0.000 0.441 254 Y N 4.880 125.197 120.300 0.030 0.000 2.336 254 Y HA 0.489 5.040 4.550 0.002 0.000 0.335 254 Y C 0.705 176.669 175.900 0.107 0.000 1.046 254 Y CA -0.634 57.501 58.100 0.059 0.000 1.198 254 Y CB 0.313 38.803 38.460 0.051 0.000 1.182 254 Y HN 0.669 nan 8.280 nan 0.000 0.502 255 I N 3.405 123.766 120.570 -0.349 0.000 3.817 255 I HA 0.671 4.842 4.170 0.002 0.000 0.322 255 I C 0.525 176.512 176.117 -0.218 0.000 1.512 255 I CA 0.085 61.314 61.300 -0.118 0.000 1.066 255 I CB 0.200 38.185 38.000 -0.025 0.000 1.336 255 I HN 0.868 nan 8.210 nan 0.000 0.539 256 G N 2.131 110.437 108.800 -0.824 0.000 2.527 256 G HA2 -0.274 3.687 3.960 0.002 0.000 0.227 256 G HA3 -0.274 3.687 3.960 0.002 0.000 0.227 256 G C 0.522 175.317 174.900 -0.175 0.000 1.291 256 G CA 0.634 45.479 45.100 -0.425 0.000 0.904 256 G HN 0.824 nan 8.290 nan 0.000 0.577 257 V N -2.102 117.824 119.914 0.020 0.000 2.453 257 V HA 0.136 4.257 4.120 0.002 0.000 0.252 257 V C 2.944 179.105 176.094 0.113 0.000 1.068 257 V CA 3.080 65.424 62.300 0.072 0.000 1.070 257 V CB -1.365 30.515 31.823 0.094 0.000 0.664 257 V HN 2.418 nan 8.190 nan 0.000 0.461 258 A N 0.637 123.580 122.820 0.204 0.000 2.238 258 A HA 0.514 4.835 4.320 0.002 0.000 0.208 258 A C 1.450 179.112 177.584 0.131 0.000 1.177 258 A CA 0.713 52.889 52.037 0.232 0.000 0.804 258 A CB -0.986 18.265 19.000 0.418 0.000 0.823 258 A HN 0.787 nan 8.150 nan 0.000 0.482 259 G N -0.675 108.151 108.800 0.043 0.000 2.532 259 G HA2 0.380 4.341 3.960 0.002 0.000 0.291 259 G HA3 0.380 4.341 3.960 0.002 0.000 0.291 259 G C -0.766 174.145 174.900 0.018 0.000 1.349 259 G CA -0.236 44.866 45.100 0.003 0.000 1.038 259 G HN 0.253 nan 8.290 nan 0.000 0.518 260 D N -0.602 119.809 120.400 0.019 0.000 2.450 260 D HA 0.331 4.972 4.640 0.002 0.000 0.247 260 D C 1.448 177.771 176.300 0.039 0.000 1.162 260 D CA 0.605 54.626 54.000 0.034 0.000 0.879 260 D CB 1.134 41.957 40.800 0.038 0.000 1.163 260 D HN 0.379 nan 8.370 nan 0.000 0.472 261 A N 4.011 126.855 122.820 0.041 0.000 1.908 261 A HA -0.241 4.080 4.320 0.002 0.000 0.218 261 A C 1.981 179.598 177.584 0.055 0.000 1.181 261 A CA 1.717 53.781 52.037 0.045 0.000 0.627 261 A CB -0.592 18.431 19.000 0.038 0.000 0.818 261 A HN 0.819 nan 8.150 nan 0.000 0.445 262 E N -0.626 119.604 120.200 0.050 0.000 2.072 262 E HA -0.145 4.206 4.350 0.002 0.000 0.191 262 E C 1.852 178.493 176.600 0.068 0.000 0.985 262 E CA 1.066 57.497 56.400 0.051 0.000 0.801 262 E CB -0.090 29.634 29.700 0.040 0.000 0.750 262 E HN 0.545 nan 8.360 nan 0.000 0.452 263 I N 0.854 121.472 120.570 0.079 0.000 2.202 263 I HA -0.206 3.965 4.170 0.002 0.000 0.242 263 I C 2.318 178.552 176.117 0.195 0.000 1.091 263 I CA 1.279 62.648 61.300 0.116 0.000 1.368 263 I CB -1.407 36.660 38.000 0.112 0.000 1.058 263 I HN 0.161 nan 8.210 nan 0.000 0.410 264 T N 0.602 115.270 114.554 0.190 0.000 2.684 264 T HA -0.235 4.116 4.350 0.002 0.000 0.267 264 T C 2.094 176.931 174.700 0.229 0.000 1.036 264 T CA 1.582 63.852 62.100 0.283 0.000 1.148 264 T CB -0.277 68.665 68.868 0.123 0.000 0.863 264 T HN 0.274 nan 8.240 nan 0.000 0.436 265 R N 0.262 120.840 120.500 0.130 0.000 2.075 265 R HA -0.025 4.317 4.340 0.002 0.000 0.232 265 R C 2.424 178.765 176.300 0.068 0.000 1.126 265 R CA 1.001 57.154 56.100 0.088 0.000 0.963 265 R CB -0.457 29.880 30.300 0.061 0.000 0.858 265 R HN 0.281 nan 8.270 nan 0.000 0.435 266 L N 0.574 121.838 121.223 0.069 0.000 2.042 266 L HA -0.153 4.188 4.340 0.002 0.000 0.210 266 L C 2.002 178.885 176.870 0.022 0.000 1.076 266 L CA 1.598 56.465 54.840 0.044 0.000 0.749 266 L CB -0.345 41.743 42.059 0.048 0.000 0.893 266 L HN 0.007 nan 8.230 nan 0.000 0.432 267 V N -0.384 119.543 119.914 0.022 0.000 2.283 267 V HA -0.234 3.887 4.120 0.002 0.000 0.243 267 V C 2.428 178.469 176.094 -0.089 0.000 1.039 267 V CA 2.001 64.249 62.300 -0.087 0.000 1.016 267 V CB -0.588 31.064 31.823 -0.284 0.000 0.650 267 V HN 0.480 nan 8.190 nan 0.000 0.449 268 E N -0.229 119.959 120.200 -0.020 0.000 2.268 268 E HA -0.151 4.201 4.350 0.002 0.000 0.195 268 E C 1.785 178.383 176.600 -0.004 0.000 0.995 268 E CA 0.815 57.212 56.400 -0.006 0.000 0.836 268 E CB 0.017 29.757 29.700 0.067 0.000 0.763 268 E HN 0.587 nan 8.360 nan 0.000 0.491 269 E N 0.555 120.758 120.200 0.006 0.000 2.474 269 E HA 0.053 4.404 4.350 0.002 0.000 0.195 269 E C 0.289 176.887 176.600 -0.002 0.000 1.039 269 E CA -0.031 56.373 56.400 0.006 0.000 0.881 269 E CB 0.666 30.376 29.700 0.017 0.000 0.970 269 E HN -0.065 nan 8.360 nan 0.000 0.486 270 S N 2.506 118.198 115.700 -0.013 0.000 2.549 270 S HA 0.001 4.472 4.470 0.002 0.000 0.283 270 S C 0.546 175.136 174.600 -0.017 0.000 1.320 270 S CA -0.378 57.815 58.200 -0.013 0.000 1.058 270 S CB 0.577 63.766 63.200 -0.018 0.000 0.882 270 S HN 0.133 nan 8.310 nan 0.000 0.498 271 D N 2.410 122.803 120.400 -0.011 0.000 2.463 271 D HA 0.230 4.871 4.640 0.002 0.000 0.224 271 D C 0.388 176.675 176.300 -0.020 0.000 1.174 271 D CA -0.217 53.773 54.000 -0.016 0.000 0.829 271 D CB -0.152 40.643 40.800 -0.008 0.000 0.993 271 D HN 0.556 nan 8.370 nan 0.000 0.497 272 G N 0.775 109.565 108.800 -0.017 0.000 4.775 272 G HA2 0.253 4.215 3.960 0.002 0.000 0.222 272 G HA3 0.253 4.215 3.960 0.002 0.000 0.222 272 G C -1.123 173.783 174.900 0.012 0.000 0.974 272 G CA -0.635 44.454 45.100 -0.017 0.000 0.614 272 G HN 0.164 nan 8.290 nan 0.000 0.427 273 L N 1.852 123.077 121.223 0.003 0.000 2.312 273 L HA 0.566 4.907 4.340 0.002 0.000 0.287 273 L C -0.669 176.269 176.870 0.113 0.000 1.091 273 L CA -1.216 53.639 54.840 0.027 0.000 0.846 273 L CB -0.107 41.929 42.059 -0.037 0.000 1.219 273 L HN 0.193 nan 8.230 nan 0.000 0.439 274 F N 6.571 126.502 119.950 -0.033 0.000 2.423 274 F HA 0.300 4.829 4.527 0.002 0.000 0.356 274 F C -0.303 175.497 175.800 -0.001 0.000 1.170 274 F CA -1.215 56.779 58.000 -0.010 0.000 1.163 274 F CB 0.138 39.136 39.000 -0.004 0.000 1.318 274 F HN 0.275 nan 8.300 nan 0.000 0.569 275 L N 7.366 128.768 121.223 0.300 0.000 2.375 275 L HA 0.120 4.462 4.340 0.002 0.000 0.276 275 L C -0.125 176.819 176.870 0.123 0.000 1.162 275 L CA -0.551 54.366 54.840 0.128 0.000 0.991 275 L CB 0.219 42.342 42.059 0.106 0.000 1.315 275 L HN 0.367 nan 8.230 nan 0.000 0.431 276 L N 4.129 125.277 121.223 -0.125 0.000 2.401 276 L HA 0.372 4.713 4.340 0.002 0.000 0.283 276 L C 1.049 177.923 176.870 0.006 0.000 1.151 276 L CA 0.528 55.251 54.840 -0.195 0.000 0.942 276 L CB -0.034 41.736 42.059 -0.482 0.000 1.283 276 L HN 0.725 nan 8.230 nan 0.000 0.442 277 G N 3.070 111.963 108.800 0.156 0.000 2.132 277 G HA2 -0.153 3.808 3.960 0.002 0.000 0.228 277 G HA3 -0.153 3.808 3.960 0.002 0.000 0.228 277 G C 0.318 175.411 174.900 0.322 0.000 1.000 277 G CA -0.018 45.256 45.100 0.289 0.000 0.693 277 G HN 1.067 nan 8.290 nan 0.000 0.515 278 A N -0.207 122.717 122.820 0.173 0.000 2.327 278 A HA 0.756 5.077 4.320 0.002 0.000 0.283 278 A C 0.504 177.778 177.584 -0.516 0.000 1.127 278 A CA -0.346 51.665 52.037 -0.043 0.000 0.810 278 A CB 0.512 19.475 19.000 -0.061 0.000 1.066 278 A HN 0.732 nan 8.150 nan 0.000 0.492 279 I N 2.798 123.127 120.570 -0.401 0.000 2.352 279 I HA 0.169 4.340 4.170 0.002 0.000 0.290 279 I C -0.389 175.432 176.117 -0.494 0.000 1.036 279 I CA 0.144 61.110 61.300 -0.558 0.000 1.336 279 I CB 0.713 38.635 38.000 -0.129 0.000 1.407 279 I HN 0.480 nan 8.210 nan 0.000 0.497 280 L N 6.916 127.858 121.223 -0.468 0.000 2.309 280 L HA 0.616 4.957 4.340 0.002 0.000 0.282 280 L C 0.048 176.759 176.870 -0.265 0.000 1.036 280 L CA -0.162 54.453 54.840 -0.375 0.000 0.806 280 L CB 1.567 43.385 42.059 -0.402 0.000 1.220 280 L HN 0.742 nan 8.230 nan 0.000 0.429 281 S N -0.174 115.377 115.700 -0.247 0.000 2.627 281 S HA 0.254 4.725 4.470 0.002 0.000 0.268 281 S C -0.725 173.790 174.600 -0.141 0.000 1.130 281 S CA -0.914 57.184 58.200 -0.171 0.000 0.819 281 S CB 1.589 64.684 63.200 -0.176 0.000 1.100 281 S HN 0.561 nan 8.310 nan 0.000 0.465 282 D N 1.265 121.607 120.400 -0.098 0.000 2.325 282 D HA 0.160 4.801 4.640 0.002 0.000 0.225 282 D C 0.700 176.948 176.300 -0.086 0.000 1.096 282 D CA 0.394 54.349 54.000 -0.076 0.000 0.844 282 D CB 0.354 41.119 40.800 -0.058 0.000 0.925 282 D HN 0.586 nan 8.370 nan 0.000 0.513 283 T N -0.333 114.153 114.554 -0.113 0.000 2.856 283 T HA 0.156 4.508 4.350 0.002 0.000 0.306 283 T C 1.741 176.343 174.700 -0.162 0.000 1.062 283 T CA 0.570 62.590 62.100 -0.134 0.000 1.083 283 T CB 0.673 69.476 68.868 -0.109 0.000 0.984 283 T HN 0.279 nan 8.240 nan 0.000 0.542 284 N N 2.454 120.983 118.700 -0.285 0.000 2.055 284 N HA -0.177 4.565 4.740 0.002 0.000 0.200 284 N C 1.462 176.769 175.510 -0.338 0.000 1.037 284 N CA 2.604 55.394 53.050 -0.433 0.000 0.881 284 N CB -1.338 36.526 38.487 -1.039 0.000 1.075 284 N HN 0.701 nan 8.380 nan 0.000 0.470 285 F N 1.218 121.052 119.950 -0.193 0.000 2.802 285 F HA 0.563 5.091 4.527 0.002 0.000 0.300 285 F C 1.616 177.476 175.800 0.099 0.000 1.168 285 F CA -0.477 57.432 58.000 -0.152 0.000 1.433 285 F CB -0.828 37.881 39.000 -0.485 0.000 1.115 285 F HN 0.537 nan 8.300 nan 0.000 0.582 286 A N 0.039 122.945 122.820 0.142 0.000 2.264 286 A HA 0.603 4.924 4.320 0.002 0.000 0.304 286 A C -0.180 177.450 177.584 0.078 0.000 1.100 286 A CA -0.557 51.445 52.037 -0.058 0.000 0.839 286 A CB 0.472 19.114 19.000 -0.596 0.000 1.121 286 A HN -0.085 nan 8.150 nan 0.000 0.496 287 V N 1.599 121.519 119.914 0.009 0.000 2.508 287 V HA 0.330 4.451 4.120 0.002 0.000 0.281 287 V C 0.814 176.843 176.094 -0.109 0.000 1.041 287 V CA 0.260 62.547 62.300 -0.021 0.000 1.016 287 V CB 0.922 32.630 31.823 -0.191 0.000 0.984 287 V HN 0.855 nan 8.190 nan 0.000 0.478 288 S N 3.886 119.555 115.700 -0.051 0.000 2.475 288 S HA 0.486 4.957 4.470 0.002 0.000 0.298 288 S C 1.077 175.622 174.600 -0.092 0.000 1.119 288 S CA 0.200 58.355 58.200 -0.076 0.000 1.085 288 S CB 1.909 65.094 63.200 -0.026 0.000 1.028 288 S HN 0.907 nan 8.310 nan 0.000 0.489 289 Q N 2.460 122.197 119.800 -0.106 0.000 2.226 289 Q HA -0.119 4.222 4.340 0.002 0.000 0.204 289 Q C 2.233 178.201 176.000 -0.053 0.000 0.975 289 Q CA 2.013 57.758 55.803 -0.096 0.000 0.866 289 Q CB -1.053 27.636 28.738 -0.082 0.000 0.915 289 Q HN 0.968 nan 8.270 nan 0.000 0.440 290 R N -0.175 120.304 120.500 -0.035 0.000 2.276 290 R HA 0.151 4.493 4.340 0.002 0.000 0.203 290 R C 1.672 177.968 176.300 -0.006 0.000 1.017 290 R CA 1.105 57.197 56.100 -0.015 0.000 1.010 290 R CB -0.490 29.803 30.300 -0.011 0.000 0.900 290 R HN 0.733 nan 8.270 nan 0.000 0.469 291 K N 0.525 120.921 120.400 -0.008 0.000 2.358 291 K HA 0.378 4.699 4.320 0.002 0.000 0.200 291 K C 0.757 177.351 176.600 -0.009 0.000 1.030 291 K CA 0.279 56.574 56.287 0.013 0.000 1.097 291 K CB 0.324 32.861 32.500 0.061 0.000 0.862 291 K HN 0.552 nan 8.250 nan 0.000 0.534 292 I N -2.870 117.674 120.570 -0.043 0.000 3.023 292 I HA 0.396 4.567 4.170 0.002 0.000 0.312 292 I C -0.760 175.326 176.117 -0.052 0.000 1.056 292 I CA -1.021 60.240 61.300 -0.065 0.000 1.033 292 I CB 1.591 39.522 38.000 -0.116 0.000 1.233 292 I HN -0.262 nan 8.210 nan 0.000 0.462 293 D N 3.046 123.413 120.400 -0.055 0.000 2.393 293 D HA 0.256 4.897 4.640 0.002 0.000 0.232 293 D C 0.860 177.110 176.300 -0.083 0.000 1.192 293 D CA -0.089 53.885 54.000 -0.044 0.000 0.882 293 D CB 1.040 41.820 40.800 -0.033 0.000 1.038 293 D HN 0.619 nan 8.370 nan 0.000 0.499 294 L N 3.263 124.432 121.223 -0.089 0.000 2.456 294 L HA -0.050 4.291 4.340 0.002 0.000 0.224 294 L C 2.170 178.818 176.870 -0.370 0.000 1.148 294 L CA 0.596 55.307 54.840 -0.215 0.000 0.825 294 L CB -0.016 41.941 42.059 -0.171 0.000 0.937 294 L HN 0.222 nan 8.230 nan 0.000 0.450 295 R N -0.394 120.008 120.500 -0.164 0.000 2.299 295 R HA -0.005 4.336 4.340 0.002 0.000 0.197 295 R C 1.219 177.450 176.300 -0.116 0.000 0.971 295 R CA 0.436 56.471 56.100 -0.109 0.000 1.030 295 R CB 0.218 30.553 30.300 0.058 0.000 0.932 295 R HN 0.126 nan 8.270 nan 0.000 0.477 296 K N -0.300 120.028 120.400 -0.120 0.000 2.517 296 K HA 0.071 4.392 4.320 0.002 0.000 0.210 296 K C 0.192 176.731 176.600 -0.102 0.000 1.166 296 K CA 0.262 56.494 56.287 -0.092 0.000 1.030 296 K CB 1.310 33.778 32.500 -0.053 0.000 0.974 296 K HN 0.122 nan 8.250 nan 0.000 0.585 297 T N -0.161 114.316 114.554 -0.128 0.000 2.913 297 T HA 0.511 4.862 4.350 0.002 0.000 0.297 297 T C 0.557 175.207 174.700 -0.084 0.000 1.029 297 T CA -0.286 61.755 62.100 -0.098 0.000 1.104 297 T CB 0.972 69.767 68.868 -0.122 0.000 0.964 297 T HN -0.014 nan 8.240 nan 0.000 0.532 298 I N 2.693 123.256 120.570 -0.011 0.000 2.420 298 I HA 0.210 4.381 4.170 0.002 0.000 0.282 298 I C 0.205 176.449 176.117 0.212 0.000 1.019 298 I CA -0.639 60.666 61.300 0.009 0.000 1.130 298 I CB 0.932 38.821 38.000 -0.186 0.000 1.262 298 I HN 0.771 nan 8.210 nan 0.000 0.454 299 H N 6.457 125.563 119.070 0.060 0.000 2.641 299 H HA 0.600 5.158 4.556 0.002 0.000 0.295 299 H C -0.614 174.823 175.328 0.181 0.000 1.070 299 H CA -0.734 55.375 56.048 0.103 0.000 1.257 299 H CB 1.064 30.845 29.762 0.032 0.000 1.393 299 H HN 0.720 nan 8.280 nan 0.000 0.464 300 A N 6.111 129.071 122.820 0.232 0.000 2.280 300 A HA 0.472 4.793 4.320 0.002 0.000 0.320 300 A C -1.455 176.207 177.584 0.130 0.000 1.366 300 A CA -0.381 51.754 52.037 0.163 0.000 0.938 300 A CB -0.252 18.918 19.000 0.282 0.000 1.157 300 A HN 0.624 nan 8.150 nan 0.000 0.536 301 F N 1.565 121.384 119.950 -0.219 0.000 2.725 301 F HA 0.389 4.917 4.527 0.002 0.000 0.309 301 F C -0.707 175.021 175.800 -0.120 0.000 1.132 301 F CA -0.553 57.331 58.000 -0.193 0.000 0.957 301 F CB 1.389 40.123 39.000 -0.444 0.000 1.286 301 F HN 0.615 nan 8.300 nan 0.000 0.440 302 D N 3.948 123.885 120.400 -0.771 0.000 2.751 302 D HA -0.235 4.406 4.640 0.002 0.000 0.233 302 D C 0.341 176.515 176.300 -0.210 0.000 1.149 302 D CA 1.637 55.317 54.000 -0.533 0.000 0.682 302 D CB -0.502 40.014 40.800 -0.472 0.000 1.068 302 D HN 0.800 nan 8.370 nan 0.000 0.429 303 R N -3.573 116.836 120.500 -0.151 0.000 3.651 303 R HA -0.148 4.193 4.340 0.002 0.000 0.292 303 R C 0.097 176.375 176.300 -0.036 0.000 1.161 303 R CA 1.261 57.307 56.100 -0.090 0.000 0.787 303 R CB -1.950 28.294 30.300 -0.093 0.000 1.249 303 R HN 0.425 nan 8.270 nan 0.000 0.476 304 A N -0.502 122.307 122.820 -0.019 0.000 2.594 304 A HA 0.805 5.126 4.320 0.002 0.000 0.291 304 A C -0.881 176.737 177.584 0.057 0.000 1.105 304 A CA -0.544 51.514 52.037 0.035 0.000 0.694 304 A CB 2.196 21.217 19.000 0.035 0.000 1.291 304 A HN 0.018 nan 8.150 nan 0.000 0.410 305 V N 0.975 120.962 119.914 0.122 0.000 2.569 305 V HA 0.607 4.728 4.120 0.002 0.000 0.301 305 V C -0.540 175.660 176.094 0.177 0.000 1.044 305 V CA -0.325 62.061 62.300 0.143 0.000 0.874 305 V CB 1.796 33.706 31.823 0.144 0.000 1.002 305 V HN 0.924 nan 8.190 nan 0.000 0.424 306 T N 7.020 121.642 114.554 0.114 0.000 2.792 306 T HA 0.832 5.183 4.350 0.002 0.000 0.280 306 T C -0.952 173.723 174.700 -0.042 0.000 0.990 306 T CA -0.447 61.683 62.100 0.050 0.000 0.960 306 T CB 1.251 70.158 68.868 0.065 0.000 0.939 306 T HN 0.496 nan 8.240 nan 0.000 0.439 307 L N -0.269 120.825 121.223 -0.215 0.000 2.506 307 L HA 0.870 5.211 4.340 0.002 0.000 0.257 307 L C 0.642 177.114 176.870 -0.662 0.000 0.964 307 L CA -1.324 53.323 54.840 -0.323 0.000 0.836 307 L CB 0.156 42.102 42.059 -0.189 0.000 1.384 307 L HN 0.738 nan 8.230 nan 0.000 0.410 308 G N 0.574 109.080 108.800 -0.490 0.000 2.283 308 G HA2 -0.311 3.650 3.960 0.002 0.000 0.280 308 G HA3 -0.311 3.650 3.960 0.002 0.000 0.280 308 G C 0.276 175.056 174.900 -0.200 0.000 1.029 308 G CA 1.065 45.956 45.100 -0.349 0.000 0.840 308 G HN 1.339 nan 8.290 nan 0.000 0.505 309 Y N -3.208 116.979 120.300 -0.188 0.000 4.881 309 Y HA -0.259 4.292 4.550 0.002 0.000 0.241 309 Y C 1.066 176.949 175.900 -0.029 0.000 0.985 309 Y CA 1.854 59.910 58.100 -0.073 0.000 1.976 309 Y CB -2.525 35.931 38.460 -0.008 0.000 1.528 309 Y HN 1.236 nan 8.280 nan 0.000 0.581 310 H N -2.534 116.572 119.070 0.060 0.000 2.621 310 H HA 0.872 5.429 4.556 0.002 0.000 0.360 310 H C -0.421 174.876 175.328 -0.052 0.000 1.163 310 H CA -0.691 55.350 56.048 -0.012 0.000 1.194 310 H CB 1.773 31.494 29.762 -0.068 0.000 1.649 310 H HN -0.016 nan 8.280 nan 0.000 0.532 311 T N 2.004 116.591 114.554 0.056 0.000 2.841 311 T HA 0.261 4.612 4.350 0.002 0.000 0.283 311 T C -1.105 173.557 174.700 -0.064 0.000 1.000 311 T CA -0.671 61.446 62.100 0.028 0.000 0.977 311 T CB 0.483 69.382 68.868 0.052 0.000 0.979 311 T HN 0.472 nan 8.240 nan 0.000 0.446 312 Y N 1.740 122.088 120.300 0.080 0.000 2.341 312 Y HA 0.564 5.115 4.550 0.002 0.000 0.340 312 Y C 0.701 176.620 175.900 0.032 0.000 0.997 312 Y CA -0.716 57.416 58.100 0.053 0.000 1.149 312 Y CB 0.792 39.279 38.460 0.046 0.000 1.171 312 Y HN 0.812 nan 8.280 nan 0.000 0.494 313 A N 2.124 125.027 122.820 0.138 0.000 2.286 313 A HA 0.403 4.724 4.320 0.002 0.000 0.286 313 A C 0.145 177.771 177.584 0.071 0.000 1.097 313 A CA -0.530 51.556 52.037 0.082 0.000 0.821 313 A CB 0.119 19.148 19.000 0.048 0.000 1.076 313 A HN 0.899 nan 8.150 nan 0.000 0.490 314 D N -0.468 119.953 120.400 0.035 0.000 2.697 314 D HA -0.129 4.512 4.640 0.002 0.000 0.238 314 D C -0.637 175.668 176.300 0.009 0.000 1.152 314 D CA 0.896 54.903 54.000 0.012 0.000 0.666 314 D CB -0.921 39.886 40.800 0.012 0.000 1.037 314 D HN 0.324 nan 8.370 nan 0.000 0.423 315 I N 1.350 121.925 120.570 0.008 0.000 2.428 315 I HA 0.207 4.378 4.170 0.002 0.000 0.279 315 I C -1.869 174.225 176.117 -0.038 0.000 1.040 315 I CA -1.848 59.449 61.300 -0.005 0.000 1.171 315 I CB 1.105 39.118 38.000 0.021 0.000 1.312 315 I HN -0.216 nan 8.210 nan 0.000 0.470 316 P HA 0.059 nan 4.420 nan 0.000 0.271 316 P C 0.986 178.221 177.300 -0.108 0.000 1.218 316 P CA -0.456 62.563 63.100 -0.135 0.000 0.780 316 P CB 1.837 33.436 31.700 -0.169 0.000 0.901 317 L N 3.770 124.915 121.223 -0.129 0.000 2.042 317 L HA -0.209 4.133 4.340 0.002 0.000 0.210 317 L C 2.547 179.389 176.870 -0.046 0.000 1.076 317 L CA 2.557 57.372 54.840 -0.042 0.000 0.749 317 L CB -1.581 40.494 42.059 0.027 0.000 0.893 317 L HN 0.512 nan 8.230 nan 0.000 0.432 318 A N -0.874 121.884 122.820 -0.104 0.000 1.908 318 A HA -0.114 4.207 4.320 0.002 0.000 0.218 318 A C 2.338 179.893 177.584 -0.049 0.000 1.181 318 A CA 1.651 53.646 52.037 -0.069 0.000 0.627 318 A CB -1.496 17.444 19.000 -0.100 0.000 0.818 318 A HN 0.523 nan 8.150 nan 0.000 0.445 319 G N -0.374 108.389 108.800 -0.061 0.000 2.408 319 G HA2 -0.083 3.878 3.960 0.002 0.000 0.217 319 G HA3 -0.083 3.878 3.960 0.002 0.000 0.217 319 G C 1.478 176.364 174.900 -0.023 0.000 1.150 319 G CA 1.115 46.190 45.100 -0.042 0.000 0.776 319 G HN 0.502 nan 8.290 nan 0.000 0.542 320 L N 0.913 122.129 121.223 -0.012 0.000 2.017 320 L HA -0.003 4.338 4.340 0.002 0.000 0.208 320 L C 2.876 179.769 176.870 0.038 0.000 1.073 320 L CA 1.492 56.341 54.840 0.016 0.000 0.745 320 L CB -0.603 41.491 42.059 0.057 0.000 0.894 320 L HN 0.069 nan 8.230 nan 0.000 0.432 321 V N 0.045 119.978 119.914 0.033 0.000 2.287 321 V HA -0.304 3.817 4.120 0.002 0.000 0.248 321 V C 2.317 178.423 176.094 0.019 0.000 1.053 321 V CA 2.055 64.374 62.300 0.031 0.000 1.027 321 V CB -0.835 30.993 31.823 0.008 0.000 0.646 321 V HN 0.465 nan 8.190 nan 0.000 0.447 322 D N 0.226 120.628 120.400 0.003 0.000 2.144 322 D HA -0.108 4.533 4.640 0.002 0.000 0.199 322 D C 2.210 178.509 176.300 -0.001 0.000 0.984 322 D CA 1.595 55.594 54.000 -0.002 0.000 0.834 322 D CB -0.332 40.462 40.800 -0.010 0.000 0.955 322 D HN 0.438 nan 8.370 nan 0.000 0.465 323 A N 0.390 123.208 122.820 -0.004 0.000 1.933 323 A HA -0.106 4.216 4.320 0.002 0.000 0.218 323 A C 2.354 179.936 177.584 -0.003 0.000 1.175 323 A CA 0.857 52.887 52.037 -0.011 0.000 0.628 323 A CB -0.656 18.329 19.000 -0.025 0.000 0.814 323 A HN 0.216 nan 8.150 nan 0.000 0.444 324 L N -0.798 120.435 121.223 0.016 0.000 2.109 324 L HA -0.104 4.237 4.340 0.002 0.000 0.207 324 L C 2.462 179.346 176.870 0.024 0.000 1.086 324 L CA 0.735 55.593 54.840 0.030 0.000 0.760 324 L CB -0.447 41.660 42.059 0.080 0.000 0.910 324 L HN 0.353 nan 8.230 nan 0.000 0.437 325 L N -0.395 120.840 121.223 0.021 0.000 2.131 325 L HA -0.205 4.136 4.340 0.002 0.000 0.210 325 L C 2.355 179.230 176.870 0.007 0.000 1.092 325 L CA 1.226 56.075 54.840 0.014 0.000 0.759 325 L CB -0.424 41.641 42.059 0.010 0.000 0.903 325 L HN 0.304 nan 8.230 nan 0.000 0.435 326 E N -0.112 120.090 120.200 0.003 0.000 2.338 326 E HA -0.155 4.196 4.350 0.002 0.000 0.197 326 E C 1.754 178.354 176.600 -0.001 0.000 1.007 326 E CA 0.602 57.002 56.400 -0.001 0.000 0.849 326 E CB 0.116 29.813 29.700 -0.005 0.000 0.774 326 E HN 0.443 nan 8.360 nan 0.000 0.506 327 R N -0.117 120.383 120.500 0.000 0.000 2.362 327 R HA 0.255 4.597 4.340 0.002 0.000 0.227 327 R C -0.075 176.227 176.300 0.003 0.000 0.905 327 R CA -0.050 56.049 56.100 -0.001 0.000 1.067 327 R CB 0.582 30.878 30.300 -0.006 0.000 1.078 327 R HN -0.014 nan 8.270 nan 0.000 0.516 328 L N 2.308 123.536 121.223 0.007 0.000 2.346 328 L HA 0.491 4.832 4.340 0.002 0.000 0.276 328 L C -2.203 174.671 176.870 0.008 0.000 1.006 328 L CA -2.346 52.500 54.840 0.010 0.000 0.817 328 L CB 2.062 44.132 42.059 0.018 0.000 1.272 328 L HN -0.149 nan 8.230 nan 0.000 0.421 329 P HA 0.310 nan 4.420 nan 0.000 0.274 329 P C -2.707 174.597 177.300 0.007 0.000 1.237 329 P CA -1.496 61.608 63.100 0.006 0.000 0.793 329 P CB 0.176 31.879 31.700 0.005 0.000 0.977 330 P HA 0.186 nan 4.420 nan 0.000 0.271 330 P C -0.266 177.038 177.300 0.006 0.000 1.233 330 P CA 0.184 63.287 63.100 0.005 0.000 0.789 330 P CB 0.391 32.093 31.700 0.004 0.000 0.951 331 S N -0.117 115.586 115.700 0.006 0.000 2.556 331 S HA 0.343 4.814 4.470 0.002 0.000 0.271 331 S C -0.783 173.820 174.600 0.005 0.000 1.135 331 S CA -0.612 57.592 58.200 0.006 0.000 0.858 331 S CB 0.875 64.079 63.200 0.008 0.000 1.114 331 S HN 0.273 nan 8.310 nan 0.000 0.468 332 D N 1.458 121.861 120.400 0.005 0.000 2.440 332 D HA 0.145 4.786 4.640 0.002 0.000 0.216 332 D C 0.463 176.765 176.300 0.005 0.000 1.150 332 D CA -0.174 53.828 54.000 0.004 0.000 0.832 332 D CB 0.269 41.071 40.800 0.004 0.000 0.992 332 D HN 0.424 nan 8.370 nan 0.000 0.502 333 R N 1.053 121.557 120.500 0.005 0.000 2.623 333 R HA 0.219 4.560 4.340 0.002 0.000 0.271 333 R C -0.252 176.051 176.300 0.006 0.000 1.043 333 R CA 0.630 56.733 56.100 0.006 0.000 1.083 333 R CB 0.580 30.884 30.300 0.007 0.000 0.974 333 R HN -0.102 nan 8.270 nan 0.000 0.436 334 T N 0.798 115.355 114.554 0.006 0.000 2.894 334 T HA 0.246 4.597 4.350 0.002 0.000 0.309 334 T C 0.045 174.749 174.700 0.006 0.000 1.208 334 T CA -0.412 61.691 62.100 0.005 0.000 1.016 334 T CB 1.610 70.481 68.868 0.005 0.000 1.192 334 T HN 0.724 nan 8.240 nan 0.000 0.491 335 T N 0.498 115.056 114.554 0.007 0.000 3.145 335 T HA 0.286 4.637 4.350 0.002 0.000 0.281 335 T C 1.155 175.860 174.700 0.009 0.000 1.003 335 T CA -0.438 61.667 62.100 0.008 0.000 0.901 335 T CB -0.096 68.777 68.868 0.009 0.000 1.112 335 T HN 0.584 nan 8.240 nan 0.000 0.535 336 R N 0.968 121.473 120.500 0.008 0.000 2.339 336 R HA 0.175 4.517 4.340 0.002 0.000 0.199 336 R C 2.144 178.450 176.300 0.010 0.000 1.018 336 R CA 0.575 56.681 56.100 0.009 0.000 1.036 336 R CB -0.256 30.049 30.300 0.008 0.000 0.899 336 R HN 0.503 nan 8.270 nan 0.000 0.473 337 G N 1.760 110.565 108.800 0.009 0.000 2.920 337 G HA2 -0.139 3.822 3.960 0.002 0.000 0.208 337 G HA3 -0.139 3.822 3.960 0.002 0.000 0.208 337 G C 0.318 175.224 174.900 0.010 0.000 1.159 337 G CA -0.303 44.803 45.100 0.009 0.000 0.784 337 G HN 0.306 nan 8.290 nan 0.000 0.535 338 K N -0.223 120.184 120.400 0.012 0.000 2.149 338 K HA 0.602 4.923 4.320 0.002 0.000 0.245 338 K C 0.030 176.639 176.600 0.015 0.000 1.024 338 K CA -0.035 56.260 56.287 0.013 0.000 0.899 338 K CB 0.274 32.783 32.500 0.015 0.000 1.038 338 K HN 0.020 nan 8.250 nan 0.000 0.496 339 E N 2.042 122.250 120.200 0.013 0.000 2.313 339 E HA 0.200 4.551 4.350 0.002 0.000 0.276 339 E C -1.882 174.731 176.600 0.022 0.000 1.031 339 E CA -2.084 54.324 56.400 0.013 0.000 0.857 339 E CB -0.586 29.116 29.700 0.004 0.000 1.040 339 E HN 0.647 nan 8.360 nan 0.000 0.408 340 P HA 0.093 nan 4.420 nan 0.000 0.271 340 P C -0.333 176.999 177.300 0.054 0.000 1.244 340 P CA -0.243 62.893 63.100 0.060 0.000 0.793 340 P CB 0.379 32.124 31.700 0.075 0.000 0.984 341 H N 0.113 119.166 119.070 -0.028 0.000 2.897 341 H HA 0.352 4.909 4.556 0.002 0.000 0.347 341 H C -0.379 174.859 175.328 -0.150 0.000 1.068 341 H CA 0.044 56.004 56.048 -0.147 0.000 1.426 341 H CB 0.212 29.791 29.762 -0.304 0.000 1.410 341 H HN 0.498 nan 8.280 nan 0.000 0.597 342 A N 5.728 128.016 122.820 -0.886 0.000 2.260 342 A HA 0.346 4.668 4.320 0.002 0.000 0.312 342 A C -1.214 175.949 177.584 -0.701 0.000 1.321 342 A CA -0.492 51.220 52.037 -0.541 0.000 0.928 342 A CB -0.353 18.451 19.000 -0.325 0.000 1.158 342 A HN 0.686 nan 8.150 nan 0.000 0.542 343 Y N 2.945 123.121 120.300 -0.206 0.000 2.376 343 Y HA 0.446 4.997 4.550 0.002 0.000 0.325 343 Y C -1.602 174.282 175.900 -0.027 0.000 1.199 343 Y CA -2.062 56.014 58.100 -0.040 0.000 1.206 343 Y CB 0.956 39.450 38.460 0.057 0.000 1.229 343 Y HN 0.518 nan 8.280 nan 0.000 0.480 344 P HA 0.115 nan 4.420 nan 0.000 0.271 344 P C -0.628 176.729 177.300 0.094 0.000 1.226 344 P CA -0.039 63.122 63.100 0.102 0.000 0.765 344 P CB 0.982 32.743 31.700 0.103 0.000 0.835 345 T N -2.172 112.416 114.554 0.057 0.000 2.804 345 T HA 0.662 5.013 4.350 0.002 0.000 0.290 345 T C 0.388 175.102 174.700 0.023 0.000 1.099 345 T CA -0.325 61.798 62.100 0.038 0.000 1.011 345 T CB 1.110 69.998 68.868 0.032 0.000 1.291 345 T HN 0.570 nan 8.240 nan 0.000 0.523 346 G N 0.455 109.262 108.800 0.012 0.000 2.303 346 G HA2 -0.050 3.911 3.960 0.002 0.000 0.260 346 G HA3 -0.050 3.911 3.960 0.002 0.000 0.260 346 G C -0.277 174.627 174.900 0.007 0.000 1.106 346 G CA -0.188 44.917 45.100 0.007 0.000 0.900 346 G HN 1.221 nan 8.290 nan 0.000 0.495 347 L N 0.147 121.373 121.223 0.005 0.000 2.540 347 L HA 0.379 4.720 4.340 0.002 0.000 0.276 347 L C 0.805 177.676 176.870 0.000 0.000 1.212 347 L CA 0.596 55.438 54.840 0.003 0.000 0.893 347 L CB 0.444 42.504 42.059 0.001 0.000 1.138 347 L HN 0.430 nan 8.230 nan 0.000 0.491 348 Q N 5.451 125.251 119.800 0.000 0.000 2.490 348 Q HA 0.373 4.714 4.340 0.002 0.000 0.226 348 Q C 0.109 176.107 176.000 -0.003 0.000 1.132 348 Q CA -0.149 55.653 55.803 -0.001 0.000 0.928 348 Q CB 0.745 29.482 28.738 -0.001 0.000 1.299 348 Q HN 0.846 nan 8.270 nan 0.000 0.528 349 A N 3.771 126.589 122.820 -0.003 0.000 3.030 349 A HA 0.096 4.417 4.320 0.002 0.000 0.273 349 A C -0.260 177.322 177.584 -0.003 0.000 1.841 349 A CA -0.180 51.855 52.037 -0.003 0.000 1.479 349 A CB -0.624 18.375 19.000 -0.003 0.000 1.048 349 A HN 0.678 nan 8.150 nan 0.000 0.612 350 D N -0.690 119.708 120.400 -0.004 0.000 2.723 350 D HA 0.484 5.125 4.640 0.002 0.000 0.247 350 D C 1.068 177.366 176.300 -0.004 0.000 1.134 350 D CA 0.102 54.100 54.000 -0.003 0.000 1.099 350 D CB 0.040 40.838 40.800 -0.003 0.000 1.287 350 D HN -0.010 nan 8.370 nan 0.000 0.634 351 G N -1.178 107.620 108.800 -0.004 0.000 3.088 351 G HA2 0.035 3.996 3.960 0.002 0.000 0.212 351 G HA3 0.035 3.996 3.960 0.002 0.000 0.212 351 G C 0.205 175.102 174.900 -0.005 0.000 1.173 351 G CA -0.109 44.988 45.100 -0.004 0.000 0.779 351 G HN 0.198 nan 8.290 nan 0.000 0.540 352 E N 1.176 121.372 120.200 -0.006 0.000 2.374 352 E HA 0.213 4.565 4.350 0.002 0.000 0.260 352 E C -2.061 174.534 176.600 -0.009 0.000 1.101 352 E CA -1.951 54.445 56.400 -0.006 0.000 0.907 352 E CB 1.022 30.719 29.700 -0.005 0.000 1.014 352 E HN 0.099 nan 8.360 nan 0.000 0.427 353 P HA 0.159 nan 4.420 nan 0.000 0.273 353 P C -0.041 177.248 177.300 -0.018 0.000 1.250 353 P CA -0.051 63.041 63.100 -0.012 0.000 0.793 353 P CB 0.640 32.334 31.700 -0.009 0.000 1.011 354 I N 0.237 120.791 120.570 -0.028 0.000 2.396 354 I HA 0.455 4.626 4.170 0.002 0.000 0.292 354 I C 0.668 176.759 176.117 -0.043 0.000 0.999 354 I CA -0.513 60.760 61.300 -0.045 0.000 1.310 354 I CB 1.163 39.119 38.000 -0.074 0.000 1.404 354 I HN 0.348 nan 8.210 nan 0.000 0.496 355 A N 7.140 129.937 122.820 -0.040 0.000 2.384 355 A HA 0.685 5.006 4.320 0.002 0.000 0.312 355 A C -2.179 175.387 177.584 -0.030 0.000 1.113 355 A CA -1.677 50.349 52.037 -0.018 0.000 0.779 355 A CB 1.199 20.201 19.000 0.003 0.000 1.307 355 A HN 0.474 nan 8.150 nan 0.000 0.436 356 P HA -0.186 nan 4.420 nan 0.000 0.216 356 P C 1.529 178.878 177.300 0.082 0.000 1.153 356 P CA 1.512 64.658 63.100 0.077 0.000 0.858 356 P CB -0.010 31.832 31.700 0.235 0.000 0.789 357 M N -0.981 118.666 119.600 0.078 0.000 2.358 357 M HA -0.123 4.358 4.480 0.002 0.000 0.264 357 M C 1.273 177.601 176.300 0.047 0.000 1.064 357 M CA 1.452 56.799 55.300 0.078 0.000 1.093 357 M CB -1.561 31.080 32.600 0.069 0.000 1.401 357 M HN 0.013 nan 8.290 nan 0.000 0.440 358 D N 0.300 120.708 120.400 0.012 0.000 2.178 358 D HA -0.030 4.611 4.640 0.002 0.000 0.202 358 D C 2.150 178.442 176.300 -0.014 0.000 0.974 358 D CA 1.001 54.999 54.000 -0.005 0.000 0.841 358 D CB 0.050 40.835 40.800 -0.024 0.000 0.953 358 D HN 0.384 nan 8.370 nan 0.000 0.478 359 I N 1.300 121.844 120.570 -0.042 0.000 2.252 359 I HA -0.212 3.959 4.170 0.002 0.000 0.245 359 I C 2.571 178.715 176.117 0.044 0.000 1.102 359 I CA 0.770 62.041 61.300 -0.048 0.000 1.385 359 I CB -0.215 37.669 38.000 -0.193 0.000 1.064 359 I HN -0.096 nan 8.210 nan 0.000 0.414 360 A N 1.148 124.019 122.820 0.084 0.000 1.877 360 A HA -0.207 4.114 4.320 0.002 0.000 0.216 360 A C 2.398 180.025 177.584 0.073 0.000 1.186 360 A CA 1.526 53.628 52.037 0.108 0.000 0.620 360 A CB -0.579 18.503 19.000 0.137 0.000 0.822 360 A HN 0.314 nan 8.150 nan 0.000 0.443 361 R N -0.497 120.036 120.500 0.056 0.000 2.096 361 R HA -0.071 4.270 4.340 0.002 0.000 0.235 361 R C 2.471 178.783 176.300 0.020 0.000 1.127 361 R CA 1.168 57.291 56.100 0.039 0.000 0.968 361 R CB -0.491 29.826 30.300 0.030 0.000 0.861 361 R HN 0.518 nan 8.270 nan 0.000 0.440 362 A N 0.716 123.546 122.820 0.018 0.000 1.877 362 A HA -0.125 4.196 4.320 0.002 0.000 0.216 362 A C 2.366 179.957 177.584 0.010 0.000 1.186 362 A CA 1.459 53.503 52.037 0.012 0.000 0.620 362 A CB -0.562 18.447 19.000 0.016 0.000 0.822 362 A HN 0.119 nan 8.150 nan 0.000 0.443 363 V N 0.960 120.893 119.914 0.031 0.000 2.307 363 V HA -0.238 3.883 4.120 0.002 0.000 0.245 363 V C 2.255 178.329 176.094 -0.033 0.000 1.045 363 V CA 2.136 64.452 62.300 0.027 0.000 1.024 363 V CB -0.951 30.914 31.823 0.070 0.000 0.651 363 V HN 0.559 nan 8.190 nan 0.000 0.449 364 N N 0.244 118.929 118.700 -0.025 0.000 2.188 364 N HA -0.144 4.597 4.740 0.002 0.000 0.184 364 N C 1.519 176.994 175.510 -0.059 0.000 1.018 364 N CA 1.427 54.441 53.050 -0.059 0.000 0.858 364 N CB -0.476 37.998 38.487 -0.021 0.000 0.989 364 N HN 0.456 nan 8.380 nan 0.000 0.426 365 D N 0.764 121.140 120.400 -0.040 0.000 2.117 365 D HA -0.076 4.565 4.640 0.002 0.000 0.197 365 D C 1.979 178.234 176.300 -0.076 0.000 0.987 365 D CA 0.717 54.691 54.000 -0.044 0.000 0.829 365 D CB -0.099 40.684 40.800 -0.029 0.000 0.961 365 D HN 0.255 nan 8.370 nan 0.000 0.460 366 R N 0.262 120.696 120.500 -0.110 0.000 2.096 366 R HA -0.073 4.268 4.340 0.002 0.000 0.235 366 R C 2.339 178.532 176.300 -0.178 0.000 1.127 366 R CA 0.632 56.625 56.100 -0.178 0.000 0.968 366 R CB -0.288 29.826 30.300 -0.310 0.000 0.861 366 R HN 0.102 nan 8.270 nan 0.000 0.440 367 V N 0.956 120.776 119.914 -0.156 0.000 2.358 367 V HA -0.220 3.902 4.120 0.002 0.000 0.246 367 V C 2.316 178.351 176.094 -0.099 0.000 1.047 367 V CA 1.551 63.769 62.300 -0.136 0.000 1.035 367 V CB -0.413 31.328 31.823 -0.137 0.000 0.658 367 V HN 0.239 nan 8.190 nan 0.000 0.452 368 R N 0.507 120.959 120.500 -0.081 0.000 2.152 368 R HA 0.006 4.347 4.340 0.002 0.000 0.232 368 R C 2.079 178.349 176.300 -0.051 0.000 1.117 368 R CA 1.340 57.408 56.100 -0.053 0.000 0.981 368 R CB -1.067 29.212 30.300 -0.035 0.000 0.870 368 R HN 0.532 nan 8.270 nan 0.000 0.451 369 A N -0.517 122.264 122.820 -0.065 0.000 2.238 369 A HA 0.299 4.620 4.320 0.002 0.000 0.208 369 A C 1.313 178.860 177.584 -0.062 0.000 1.177 369 A CA 1.009 53.011 52.037 -0.059 0.000 0.804 369 A CB 0.054 19.014 19.000 -0.066 0.000 0.823 369 A HN 0.409 nan 8.150 nan 0.000 0.482 370 G N -1.711 107.048 108.800 -0.070 0.000 2.260 370 G HA2 -0.174 3.787 3.960 0.002 0.000 0.179 370 G HA3 -0.174 3.787 3.960 0.002 0.000 0.179 370 G C 0.181 175.035 174.900 -0.077 0.000 1.002 370 G CA 0.099 45.162 45.100 -0.062 0.000 0.677 370 G HN 0.599 nan 8.290 nan 0.000 0.486 371 Q N 0.986 120.715 119.800 -0.119 0.000 2.296 371 Q HA 0.418 4.760 4.340 0.002 0.000 0.262 371 Q C 0.027 175.966 176.000 -0.101 0.000 0.981 371 Q CA -0.248 55.467 55.803 -0.146 0.000 0.905 371 Q CB 0.693 29.255 28.738 -0.294 0.000 1.186 371 Q HN 0.287 nan 8.270 nan 0.000 0.399 372 E N 5.700 125.866 120.200 -0.055 0.000 2.376 372 E HA 0.158 4.509 4.350 0.002 0.000 0.266 372 E C -2.366 174.223 176.600 -0.020 0.000 1.009 372 E CA -1.469 54.915 56.400 -0.028 0.000 0.902 372 E CB 0.631 30.332 29.700 0.001 0.000 0.972 372 E HN 0.373 nan 8.360 nan 0.000 0.439 373 P HA 0.034 nan 4.420 nan 0.000 0.267 373 P C -0.775 176.550 177.300 0.041 0.000 1.200 373 P CA 0.210 63.302 63.100 -0.014 0.000 0.772 373 P CB 0.452 32.123 31.700 -0.049 0.000 0.855 374 L N 1.971 123.244 121.223 0.084 0.000 2.352 374 L HA 0.451 4.792 4.340 0.002 0.000 0.269 374 L C 0.623 177.536 176.870 0.072 0.000 1.034 374 L CA -1.235 53.669 54.840 0.107 0.000 0.806 374 L CB 0.958 43.114 42.059 0.162 0.000 1.244 374 L HN 0.301 nan 8.230 nan 0.000 0.447 375 L N 2.267 123.539 121.223 0.081 0.000 2.426 375 L HA 0.339 4.680 4.340 0.002 0.000 0.271 375 L C -0.567 176.340 176.870 0.061 0.000 1.169 375 L CA 0.205 55.086 54.840 0.068 0.000 0.836 375 L CB 0.545 42.682 42.059 0.130 0.000 1.112 375 L HN 0.389 nan 8.230 nan 0.000 0.465 376 I N 4.947 125.539 120.570 0.038 0.000 2.404 376 I HA 0.476 4.647 4.170 0.002 0.000 0.293 376 I C -0.101 176.036 176.117 0.033 0.000 0.992 376 I CA -0.559 60.761 61.300 0.034 0.000 1.149 376 I CB 1.739 39.756 38.000 0.028 0.000 1.315 376 I HN 0.718 nan 8.210 nan 0.000 0.446 377 A N 5.387 128.222 122.820 0.026 0.000 2.288 377 A HA 0.879 5.201 4.320 0.002 0.000 0.320 377 A C -0.431 177.171 177.584 0.030 0.000 1.217 377 A CA -0.411 51.648 52.037 0.036 0.000 0.840 377 A CB 1.027 20.002 19.000 -0.042 0.000 1.179 377 A HN 0.792 nan 8.150 nan 0.000 0.504 378 A N 2.210 125.076 122.820 0.077 0.000 2.374 378 A HA 0.696 5.017 4.320 0.002 0.000 0.317 378 A C -0.389 177.232 177.584 0.062 0.000 1.094 378 A CA -0.579 51.472 52.037 0.024 0.000 0.765 378 A CB 0.991 19.985 19.000 -0.009 0.000 1.268 378 A HN 0.809 nan 8.150 nan 0.000 0.438 379 D N 0.412 120.800 120.400 -0.020 0.000 2.506 379 D HA 0.426 5.067 4.640 0.002 0.000 0.272 379 D C -0.406 175.866 176.300 -0.047 0.000 1.214 379 D CA -0.281 53.705 54.000 -0.024 0.000 1.067 379 D CB 1.037 41.790 40.800 -0.078 0.000 1.117 379 D HN 0.448 nan 8.370 nan 0.000 0.578 380 M N 0.291 119.861 119.600 -0.050 0.000 2.188 380 M HA 0.451 4.932 4.480 0.002 0.000 0.357 380 M C -0.174 176.127 176.300 0.001 0.000 1.204 380 M CA 0.268 55.548 55.300 -0.033 0.000 1.095 380 M CB 0.396 32.964 32.600 -0.054 0.000 1.604 380 M HN 0.455 nan 8.290 nan 0.000 0.464 381 G N 3.594 112.436 108.800 0.070 0.000 2.350 381 G HA2 -0.002 3.959 3.960 0.002 0.000 0.282 381 G HA3 -0.002 3.959 3.960 0.002 0.000 0.282 381 G C -0.542 174.463 174.900 0.175 0.000 1.314 381 G CA -0.194 44.962 45.100 0.093 0.000 0.915 381 G HN 0.550 nan 8.290 nan 0.000 0.499 382 D N -0.418 120.039 120.400 0.096 0.000 2.310 382 D HA -0.090 4.551 4.640 0.002 0.000 0.212 382 D C 2.581 178.889 176.300 0.013 0.000 0.965 382 D CA 2.077 56.155 54.000 0.129 0.000 0.879 382 D CB -0.431 40.424 40.800 0.092 0.000 0.921 382 D HN 0.729 nan 8.370 nan 0.000 0.510 383 C N -0.602 118.497 119.300 -0.334 0.000 2.413 383 C HA -0.073 4.388 4.460 0.002 0.000 0.277 383 C C 2.527 177.361 174.990 -0.259 0.000 1.265 383 C CA 0.256 58.798 59.018 -0.793 0.000 1.752 383 C CB -1.486 25.707 27.740 -0.912 0.000 1.998 383 C HN 0.320 nan 8.230 nan 0.000 0.489 384 L N 0.327 121.504 121.223 -0.077 0.000 2.072 384 L HA 0.179 4.521 4.340 0.002 0.000 0.205 384 L C 2.332 179.172 176.870 -0.050 0.000 1.079 384 L CA 1.700 56.505 54.840 -0.059 0.000 0.752 384 L CB -1.148 40.861 42.059 -0.084 0.000 0.906 384 L HN 0.293 nan 8.230 nan 0.000 0.436 385 F N -0.357 119.591 119.950 -0.002 0.000 2.216 385 F HA -0.192 4.336 4.527 0.002 0.000 0.300 385 F C 2.286 178.118 175.800 0.052 0.000 1.085 385 F CA 1.760 59.783 58.000 0.040 0.000 1.326 385 F CB -0.864 38.191 39.000 0.091 0.000 1.027 385 F HN 0.079 nan 8.300 nan 0.000 0.497 386 T N -0.594 114.104 114.554 0.241 0.000 2.851 386 T HA -0.058 4.293 4.350 0.002 0.000 0.262 386 T C 2.292 177.095 174.700 0.172 0.000 1.043 386 T CA 1.024 63.265 62.100 0.235 0.000 1.140 386 T CB -0.548 68.538 68.868 0.364 0.000 0.872 386 T HN 0.268 nan 8.240 nan 0.000 0.446 387 A N 1.571 124.455 122.820 0.107 0.000 2.024 387 A HA -0.047 4.274 4.320 0.002 0.000 0.220 387 A C 2.235 179.853 177.584 0.057 0.000 1.164 387 A CA 1.299 53.381 52.037 0.076 0.000 0.643 387 A CB -0.818 18.196 19.000 0.023 0.000 0.806 387 A HN 0.480 nan 8.150 nan 0.000 0.451 388 M N -0.520 119.099 119.600 0.031 0.000 2.358 388 M HA -0.106 4.375 4.480 0.002 0.000 0.264 388 M C 0.295 176.646 176.300 0.086 0.000 1.064 388 M CA 1.052 56.354 55.300 0.003 0.000 1.093 388 M CB -0.137 32.414 32.600 -0.082 0.000 1.401 388 M HN 0.183 nan 8.290 nan 0.000 0.440 389 D N -0.102 120.387 120.400 0.149 0.000 2.388 389 D HA 0.253 4.894 4.640 0.002 0.000 0.221 389 D C -0.020 176.470 176.300 0.317 0.000 1.133 389 D CA 0.301 54.449 54.000 0.247 0.000 0.831 389 D CB 0.266 41.189 40.800 0.206 0.000 0.962 389 D HN 0.317 nan 8.370 nan 0.000 0.502 390 M N 0.475 120.199 119.600 0.206 0.000 2.363 390 M HA 0.380 4.862 4.480 0.002 0.000 0.343 390 M C 0.123 176.383 176.300 -0.067 0.000 1.165 390 M CA -0.717 54.635 55.300 0.086 0.000 1.046 390 M CB 2.520 35.162 32.600 0.069 0.000 1.648 390 M HN -0.290 nan 8.290 nan 0.000 0.452 391 I N 2.764 123.138 120.570 -0.327 0.000 2.452 391 I HA 0.075 4.246 4.170 0.002 0.000 0.287 391 I C -0.355 175.643 176.117 -0.199 0.000 1.079 391 I CA 0.033 61.025 61.300 -0.512 0.000 1.387 391 I CB 0.159 37.808 38.000 -0.585 0.000 1.404 391 I HN 0.688 nan 8.210 nan 0.000 0.522 392 D N 4.935 125.255 120.400 -0.133 0.000 2.566 392 D HA 0.610 5.252 4.640 0.002 0.000 0.254 392 D C -0.525 175.743 176.300 -0.054 0.000 1.090 392 D CA -0.877 53.085 54.000 -0.063 0.000 1.034 392 D CB 1.673 42.449 40.800 -0.040 0.000 1.434 392 D HN 0.402 nan 8.370 nan 0.000 0.509 393 A N 0.007 122.809 122.820 -0.029 0.000 2.965 393 A HA 0.735 5.056 4.320 0.002 0.000 0.304 393 A C 0.648 178.204 177.584 -0.048 0.000 1.214 393 A CA 0.174 52.192 52.037 -0.032 0.000 0.977 393 A CB -1.058 17.940 19.000 -0.004 0.000 1.127 393 A HN 1.411 nan 8.150 nan 0.000 0.572 394 G N -0.744 108.019 108.800 -0.063 0.000 2.592 394 G HA2 0.362 4.323 3.960 0.002 0.000 0.685 394 G HA3 0.362 4.323 3.960 0.002 0.000 0.685 394 G C -1.464 173.394 174.900 -0.071 0.000 1.278 394 G CA -0.368 44.680 45.100 -0.086 0.000 0.822 394 G HN 1.356 nan 8.290 nan 0.000 0.652 395 L N 2.250 123.405 121.223 -0.113 0.000 2.409 395 L HA 0.935 5.276 4.340 0.002 0.000 0.272 395 L C -0.218 176.586 176.870 -0.110 0.000 0.980 395 L CA -0.969 53.806 54.840 -0.109 0.000 0.826 395 L CB 1.865 43.817 42.059 -0.178 0.000 1.268 395 L HN 0.876 nan 8.230 nan 0.000 0.407 396 M N 5.190 124.785 119.600 -0.009 0.000 2.134 396 M HA 0.845 5.326 4.480 0.002 0.000 0.310 396 M C -1.323 175.072 176.300 0.159 0.000 0.966 396 M CA -0.245 55.100 55.300 0.076 0.000 0.922 396 M CB 1.299 34.002 32.600 0.171 0.000 1.537 396 M HN 0.872 nan 8.290 nan 0.000 0.424 397 A N 5.480 128.297 122.820 -0.004 0.000 2.610 397 A HA 0.835 5.156 4.320 0.002 0.000 0.291 397 A C -2.899 174.445 177.584 -0.400 0.000 1.086 397 A CA -0.891 51.072 52.037 -0.125 0.000 0.677 397 A CB 1.472 20.486 19.000 0.023 0.000 1.278 397 A HN 0.600 nan 8.150 nan 0.000 0.414 398 P HA 0.167 nan 4.420 nan 0.000 0.212 398 P C 0.987 178.184 177.300 -0.170 0.000 1.816 398 P CA 0.467 63.328 63.100 -0.398 0.000 0.944 398 P CB -0.026 31.447 31.700 -0.378 0.000 1.896 399 G N 0.364 109.083 108.800 -0.134 0.000 2.462 399 G HA2 -0.253 3.708 3.960 0.002 0.000 0.220 399 G HA3 -0.253 3.708 3.960 0.002 0.000 0.220 399 G C 0.680 175.507 174.900 -0.121 0.000 1.121 399 G CA 0.796 45.708 45.100 -0.313 0.000 0.758 399 G HN 0.244 nan 8.290 nan 0.000 0.559 400 Y N -2.163 118.128 120.300 -0.015 0.000 2.422 400 Y HA 0.236 4.787 4.550 0.002 0.000 0.291 400 Y C 2.205 178.113 175.900 0.012 0.000 1.144 400 Y CA -0.803 57.291 58.100 -0.010 0.000 1.208 400 Y CB -0.996 37.501 38.460 0.061 0.000 1.195 400 Y HN 0.198 nan 8.280 nan 0.000 0.535 401 Y N 1.253 121.603 120.300 0.084 0.000 2.293 401 Y HA 0.143 4.695 4.550 0.002 0.000 0.291 401 Y C 1.881 177.763 175.900 -0.032 0.000 1.137 401 Y CA 1.019 59.134 58.100 0.025 0.000 1.202 401 Y CB -0.370 38.100 38.460 0.018 0.000 0.990 401 Y HN 0.164 nan 8.280 nan 0.000 0.537 402 A N -0.346 122.429 122.820 -0.075 0.000 2.847 402 A HA -0.188 4.133 4.320 0.002 0.000 0.263 402 A C 0.962 178.424 177.584 -0.203 0.000 1.391 402 A CA 0.765 52.703 52.037 -0.165 0.000 0.866 402 A CB -2.269 16.613 19.000 -0.196 0.000 1.057 402 A HN 0.841 nan 8.150 nan 0.000 0.673 403 G N -1.009 107.693 108.800 -0.163 0.000 2.372 403 G HA2 0.551 4.512 3.960 0.002 0.000 0.283 403 G HA3 0.551 4.512 3.960 0.002 0.000 0.283 403 G C 0.010 174.902 174.900 -0.013 0.000 1.177 403 G CA -0.320 44.728 45.100 -0.087 0.000 0.842 403 G HN 0.488 nan 8.290 nan 0.000 0.503 404 M N 1.262 120.848 119.600 -0.024 0.000 2.241 404 M HA 0.431 4.912 4.480 0.002 0.000 0.335 404 M C 1.358 177.644 176.300 -0.023 0.000 1.122 404 M CA 1.393 56.673 55.300 -0.033 0.000 1.164 404 M CB 1.425 34.008 32.600 -0.028 0.000 1.459 404 M HN 0.930 nan 8.290 nan 0.000 0.461 405 G N 1.112 109.842 108.800 -0.116 0.000 2.218 405 G HA2 -0.272 3.689 3.960 0.002 0.000 0.216 405 G HA3 -0.272 3.689 3.960 0.002 0.000 0.216 405 G C 0.474 175.020 174.900 -0.590 0.000 0.994 405 G CA 0.230 45.228 45.100 -0.170 0.000 0.637 405 G HN 0.723 nan 8.290 nan 0.000 0.505 406 F N 2.422 121.758 119.950 -1.023 0.000 2.171 406 F HA 0.191 4.719 4.527 0.002 0.000 0.300 406 F C 2.441 177.903 175.800 -0.565 0.000 1.090 406 F CA 2.665 59.936 58.000 -1.215 0.000 1.293 406 F CB -0.453 38.100 39.000 -0.744 0.000 1.013 406 F HN 0.226 nan 8.300 nan 0.000 0.486 407 G N 0.394 109.054 108.800 -0.233 0.000 2.628 407 G HA2 -0.317 3.644 3.960 0.002 0.000 0.217 407 G HA3 -0.317 3.644 3.960 0.002 0.000 0.217 407 G C 1.746 176.471 174.900 -0.293 0.000 1.240 407 G CA 1.725 46.705 45.100 -0.200 0.000 0.792 407 G HN 0.322 nan 8.290 nan 0.000 0.593 408 V N 2.189 121.925 119.914 -0.296 0.000 2.295 408 V HA -0.095 4.026 4.120 0.002 0.000 0.246 408 V C 0.332 176.245 176.094 -0.302 0.000 1.049 408 V CA 2.310 64.431 62.300 -0.299 0.000 1.024 408 V CB -0.949 30.636 31.823 -0.397 0.000 0.648 408 V HN 0.304 nan 8.190 nan 0.000 0.447 409 P HA -0.100 nan 4.420 nan 0.000 0.218 409 P C 1.616 178.696 177.300 -0.367 0.000 1.149 409 P CA 1.774 64.723 63.100 -0.251 0.000 0.817 409 P CB -0.105 31.547 31.700 -0.080 0.000 0.785 410 A N -0.145 122.329 122.820 -0.577 0.000 1.930 410 A HA -0.037 4.284 4.320 0.002 0.000 0.217 410 A C 2.462 179.827 177.584 -0.365 0.000 1.175 410 A CA 1.918 53.556 52.037 -0.664 0.000 0.627 410 A CB -1.843 16.400 19.000 -1.262 0.000 0.815 410 A HN 0.264 nan 8.150 nan 0.000 0.443 411 G N 0.011 108.637 108.800 -0.289 0.000 2.422 411 G HA2 -0.178 3.783 3.960 0.002 0.000 0.218 411 G HA3 -0.178 3.783 3.960 0.002 0.000 0.218 411 G C 1.521 176.317 174.900 -0.174 0.000 1.146 411 G CA 1.106 46.098 45.100 -0.180 0.000 0.769 411 G HN 0.470 nan 8.290 nan 0.000 0.547 412 I N 1.132 121.584 120.570 -0.197 0.000 2.202 412 I HA -0.076 4.095 4.170 0.002 0.000 0.242 412 I C 3.087 179.111 176.117 -0.156 0.000 1.091 412 I CA 1.043 62.248 61.300 -0.160 0.000 1.368 412 I CB -0.428 37.481 38.000 -0.152 0.000 1.058 412 I HN 0.249 nan 8.210 nan 0.000 0.410 413 G N 0.397 109.048 108.800 -0.250 0.000 2.418 413 G HA2 -0.240 3.721 3.960 0.002 0.000 0.217 413 G HA3 -0.240 3.721 3.960 0.002 0.000 0.217 413 G C 1.853 176.671 174.900 -0.137 0.000 1.158 413 G CA 0.841 45.765 45.100 -0.293 0.000 0.771 413 G HN 0.489 nan 8.290 nan 0.000 0.545 414 A N 0.239 122.945 122.820 -0.190 0.000 1.877 414 A HA -0.103 4.218 4.320 0.002 0.000 0.216 414 A C 2.286 179.640 177.584 -0.383 0.000 1.186 414 A CA 2.055 53.927 52.037 -0.275 0.000 0.620 414 A CB -0.529 18.391 19.000 -0.135 0.000 0.822 414 A HN 0.452 nan 8.150 nan 0.000 0.443 415 Q N -1.073 118.591 119.800 -0.227 0.000 2.224 415 Q HA -0.153 4.188 4.340 0.002 0.000 0.203 415 Q C 1.940 177.842 176.000 -0.163 0.000 0.970 415 Q CA 1.525 57.213 55.803 -0.191 0.000 0.865 415 Q CB -0.390 28.279 28.738 -0.115 0.000 0.922 415 Q HN 0.695 nan 8.270 nan 0.000 0.445 416 C N -0.559 118.667 119.300 -0.124 0.000 2.419 416 C HA -0.070 4.391 4.460 0.002 0.000 0.281 416 C C 2.129 177.089 174.990 -0.050 0.000 1.336 416 C CA 0.986 59.941 59.018 -0.105 0.000 1.770 416 C CB -0.569 27.135 27.740 -0.060 0.000 1.929 416 C HN 0.628 nan 8.230 nan 0.000 0.509 417 V N -0.787 119.064 119.914 -0.105 0.000 3.319 417 V HA 0.224 4.345 4.120 0.002 0.000 0.317 417 V C 1.498 177.456 176.094 -0.227 0.000 1.411 417 V CA 1.015 63.257 62.300 -0.097 0.000 1.112 417 V CB -0.685 31.134 31.823 -0.005 0.000 1.031 417 V HN 0.441 nan 8.190 nan 0.000 0.448 418 S N 0.284 115.774 115.700 -0.350 0.000 2.603 418 S HA 0.280 4.751 4.470 0.002 0.000 0.220 418 S C 1.741 176.331 174.600 -0.016 0.000 0.967 418 S CA 0.664 58.687 58.200 -0.295 0.000 0.920 418 S CB -0.436 62.578 63.200 -0.310 0.000 0.773 418 S HN 1.921 nan 8.310 nan 0.000 0.529 419 G N 0.632 109.423 108.800 -0.014 0.000 2.283 419 G HA2 0.070 4.031 3.960 0.002 0.000 0.280 419 G HA3 0.070 4.031 3.960 0.002 0.000 0.280 419 G C 1.002 175.915 174.900 0.022 0.000 1.029 419 G CA 0.400 45.513 45.100 0.022 0.000 0.840 419 G HN 1.844 nan 8.290 nan 0.000 0.505 420 G N -1.643 107.160 108.800 0.005 0.000 2.218 420 G HA2 -0.204 3.757 3.960 0.002 0.000 0.216 420 G HA3 -0.204 3.757 3.960 0.002 0.000 0.216 420 G C 0.379 175.292 174.900 0.022 0.000 0.994 420 G CA 0.550 45.657 45.100 0.013 0.000 0.637 420 G HN 0.954 nan 8.290 nan 0.000 0.505 421 K N 1.102 121.522 120.400 0.033 0.000 2.322 421 K HA 0.420 4.741 4.320 0.002 0.000 0.283 421 K C 0.687 177.305 176.600 0.030 0.000 1.042 421 K CA -0.471 55.849 56.287 0.056 0.000 0.958 421 K CB 1.014 33.580 32.500 0.110 0.000 0.984 421 K HN 0.290 nan 8.250 nan 0.000 0.473 422 R N 2.873 123.396 120.500 0.038 0.000 2.539 422 R HA 0.199 4.540 4.340 0.002 0.000 0.275 422 R C -0.263 176.048 176.300 0.018 0.000 1.077 422 R CA -0.338 55.768 56.100 0.010 0.000 1.097 422 R CB 0.520 30.821 30.300 0.000 0.000 1.018 422 R HN 0.451 nan 8.270 nan 0.000 0.483 423 I N 4.584 125.146 120.570 -0.015 0.000 2.493 423 I HA 0.257 4.428 4.170 0.002 0.000 0.298 423 I C -0.571 175.533 176.117 -0.023 0.000 0.998 423 I CA -0.996 60.302 61.300 -0.003 0.000 1.137 423 I CB 1.404 39.388 38.000 -0.027 0.000 1.310 423 I HN 0.503 nan 8.210 nan 0.000 0.445 424 L N 5.450 126.678 121.223 0.008 0.000 2.296 424 L HA 0.561 4.902 4.340 0.002 0.000 0.286 424 L C -0.240 176.637 176.870 0.012 0.000 1.023 424 L CA 0.370 55.215 54.840 0.009 0.000 0.812 424 L CB 1.405 43.505 42.059 0.069 0.000 1.223 424 L HN 0.598 nan 8.230 nan 0.000 0.421 425 T N 4.959 119.514 114.554 0.001 0.000 2.823 425 T HA 0.660 5.011 4.350 0.002 0.000 0.279 425 T C -0.701 174.017 174.700 0.029 0.000 0.998 425 T CA -0.431 61.664 62.100 -0.009 0.000 0.994 425 T CB 1.513 70.350 68.868 -0.052 0.000 0.960 425 T HN 0.568 nan 8.240 nan 0.000 0.448 426 V N 1.090 121.013 119.914 0.015 0.000 2.555 426 V HA 0.988 5.109 4.120 0.002 0.000 0.302 426 V C -0.520 175.515 176.094 -0.097 0.000 1.038 426 V CA -0.847 61.466 62.300 0.021 0.000 0.887 426 V CB 1.469 33.297 31.823 0.009 0.000 0.991 426 V HN 0.716 nan 8.190 nan 0.000 0.434 427 V N 3.164 123.018 119.914 -0.100 0.000 3.000 427 V HA 0.877 4.998 4.120 0.002 0.000 0.300 427 V C 0.397 176.438 176.094 -0.089 0.000 1.251 427 V CA 0.503 62.735 62.300 -0.113 0.000 0.972 427 V CB 2.083 33.883 31.823 -0.040 0.000 1.065 427 V HN 1.489 nan 8.190 nan 0.000 0.431 428 G N 2.760 111.502 108.800 -0.097 0.000 2.528 428 G HA2 0.368 4.329 3.960 0.002 0.000 0.289 428 G HA3 0.368 4.329 3.960 0.002 0.000 0.289 428 G C 0.632 175.511 174.900 -0.035 0.000 1.192 428 G CA 0.377 45.469 45.100 -0.013 0.000 0.921 428 G HN 0.955 nan 8.290 nan 0.000 0.512 429 D N -0.262 120.131 120.400 -0.013 0.000 2.144 429 D HA -0.102 4.540 4.640 0.002 0.000 0.200 429 D C 2.193 178.466 176.300 -0.045 0.000 0.978 429 D CA 1.317 55.262 54.000 -0.092 0.000 0.833 429 D CB -0.845 40.022 40.800 0.112 0.000 0.961 429 D HN 0.475 nan 8.370 nan 0.000 0.470 430 G N 1.089 109.939 108.800 0.084 0.000 2.421 430 G HA2 -0.154 3.807 3.960 0.002 0.000 0.216 430 G HA3 -0.154 3.807 3.960 0.002 0.000 0.216 430 G C 1.878 176.874 174.900 0.160 0.000 1.171 430 G CA 1.690 46.934 45.100 0.239 0.000 0.775 430 G HN 0.512 nan 8.290 nan 0.000 0.543 431 A N 0.088 122.955 122.820 0.078 0.000 1.930 431 A HA 0.115 4.436 4.320 0.002 0.000 0.217 431 A C 2.177 179.695 177.584 -0.109 0.000 1.175 431 A CA 1.392 53.425 52.037 -0.006 0.000 0.627 431 A CB -0.521 18.453 19.000 -0.043 0.000 0.815 431 A HN 0.366 nan 8.150 nan 0.000 0.443 432 F N 0.664 120.411 119.950 -0.338 0.000 2.171 432 F HA -0.209 4.319 4.527 0.002 0.000 0.300 432 F C 2.488 177.937 175.800 -0.585 0.000 1.090 432 F CA 2.093 59.741 58.000 -0.587 0.000 1.293 432 F CB -0.189 38.253 39.000 -0.931 0.000 1.013 432 F HN 0.295 nan 8.300 nan 0.000 0.486 433 Q N -0.460 119.268 119.800 -0.119 0.000 2.297 433 Q HA -0.225 4.116 4.340 0.002 0.000 0.208 433 Q C 2.044 178.235 176.000 0.317 0.000 0.981 433 Q CA 1.698 57.575 55.803 0.123 0.000 0.876 433 Q CB -0.144 28.529 28.738 -0.107 0.000 0.921 433 Q HN 0.537 nan 8.270 nan 0.000 0.446 434 M N -1.008 118.651 119.600 0.099 0.000 2.191 434 M HA -0.049 4.432 4.480 0.002 0.000 0.262 434 M C 1.777 178.163 176.300 0.144 0.000 1.083 434 M CA 1.676 57.077 55.300 0.170 0.000 1.154 434 M CB 0.243 32.915 32.600 0.120 0.000 1.344 434 M HN 0.181 nan 8.290 nan 0.000 0.431 435 T N -4.264 110.213 114.554 -0.128 0.000 3.144 435 T HA 0.270 4.621 4.350 0.002 0.000 0.290 435 T C 1.456 175.819 174.700 -0.561 0.000 0.966 435 T CA 0.225 62.229 62.100 -0.160 0.000 0.907 435 T CB -0.106 68.736 68.868 -0.043 0.000 1.152 435 T HN 0.350 nan 8.240 nan 0.000 0.532 436 G N 1.084 109.123 108.800 -1.268 0.000 2.448 436 G HA2 -0.096 3.865 3.960 0.002 0.000 0.219 436 G HA3 -0.096 3.865 3.960 0.002 0.000 0.219 436 G C 1.013 175.042 174.900 -1.453 0.000 1.127 436 G CA 0.367 44.176 45.100 -2.151 0.000 0.766 436 G HN 0.707 nan 8.290 nan 0.000 0.552 437 W N 1.068 122.058 121.300 -0.518 0.000 2.468 437 W HA 0.082 4.743 4.660 0.002 0.000 0.262 437 W C 2.149 178.582 176.519 -0.143 0.000 1.241 437 W CA 0.362 57.602 57.345 -0.174 0.000 1.232 437 W CB 0.066 29.511 29.460 -0.026 0.000 1.124 437 W HN 0.121 nan 8.180 nan 0.000 0.597 438 E N 0.862 121.022 120.200 -0.067 0.000 2.333 438 E HA -0.154 4.197 4.350 0.002 0.000 0.198 438 E C 1.932 178.465 176.600 -0.111 0.000 1.007 438 E CA 0.871 57.245 56.400 -0.044 0.000 0.845 438 E CB -0.565 29.092 29.700 -0.072 0.000 0.766 438 E HN 0.473 nan 8.360 nan 0.000 0.507 439 L N 0.084 121.145 121.223 -0.269 0.000 2.353 439 L HA -0.103 4.238 4.340 0.002 0.000 0.220 439 L C 2.294 179.075 176.870 -0.148 0.000 1.133 439 L CA 0.893 55.462 54.840 -0.452 0.000 0.798 439 L CB -0.522 40.854 42.059 -1.138 0.000 0.922 439 L HN 0.146 nan 8.230 nan 0.000 0.445 440 G N -0.190 108.640 108.800 0.049 0.000 2.498 440 G HA2 -0.238 3.723 3.960 0.002 0.000 0.219 440 G HA3 -0.238 3.723 3.960 0.002 0.000 0.219 440 G C 1.167 176.158 174.900 0.150 0.000 1.119 440 G CA 0.632 45.847 45.100 0.192 0.000 0.766 440 G HN 0.481 nan 8.290 nan 0.000 0.552 441 N N -0.938 117.817 118.700 0.092 0.000 2.412 441 N HA 0.034 4.775 4.740 0.002 0.000 0.184 441 N C 1.714 177.272 175.510 0.079 0.000 1.101 441 N CA 0.025 53.126 53.050 0.085 0.000 0.881 441 N CB 0.088 38.619 38.487 0.072 0.000 0.969 441 N HN 0.199 nan 8.380 nan 0.000 0.459 442 C N 0.889 120.247 119.300 0.097 0.000 2.413 442 C HA -0.073 4.389 4.460 0.002 0.000 0.277 442 C C 2.517 177.566 174.990 0.099 0.000 1.265 442 C CA 0.758 59.837 59.018 0.102 0.000 1.752 442 C CB -0.888 26.970 27.740 0.195 0.000 1.998 442 C HN 0.492 nan 8.230 nan 0.000 0.489 443 R N 0.304 120.878 120.500 0.123 0.000 2.080 443 R HA -0.153 4.188 4.340 0.002 0.000 0.236 443 R C 2.618 178.956 176.300 0.064 0.000 1.137 443 R CA 1.876 58.028 56.100 0.086 0.000 0.943 443 R CB -0.458 29.894 30.300 0.088 0.000 0.846 443 R HN 0.446 nan 8.270 nan 0.000 0.431 444 R N 1.022 121.563 120.500 0.068 0.000 2.092 444 R HA 0.021 4.362 4.340 0.002 0.000 0.231 444 R C 2.151 178.482 176.300 0.053 0.000 1.119 444 R CA 1.198 57.335 56.100 0.062 0.000 0.970 444 R CB -0.956 29.388 30.300 0.074 0.000 0.864 444 R HN 0.338 nan 8.270 nan 0.000 0.440 445 L N -0.249 120.994 121.223 0.034 0.000 2.376 445 L HA 0.273 4.614 4.340 0.002 0.000 0.219 445 L C 1.800 178.654 176.870 -0.028 0.000 1.133 445 L CA 0.900 55.725 54.840 -0.025 0.000 0.816 445 L CB -0.291 41.718 42.059 -0.082 0.000 0.933 445 L HN 0.660 nan 8.230 nan 0.000 0.449 446 G N 1.543 110.347 108.800 0.007 0.000 2.198 446 G HA2 -0.274 3.688 3.960 0.002 0.000 0.257 446 G HA3 -0.274 3.688 3.960 0.002 0.000 0.257 446 G C 0.099 174.997 174.900 -0.002 0.000 1.042 446 G CA 0.568 45.674 45.100 0.009 0.000 0.791 446 G HN 0.491 nan 8.290 nan 0.000 0.502 447 I N -3.462 117.110 120.570 0.002 0.000 3.067 447 I HA 0.901 5.072 4.170 0.002 0.000 0.312 447 I C -0.559 175.579 176.117 0.035 0.000 1.073 447 I CA -1.071 60.228 61.300 -0.002 0.000 1.016 447 I CB 2.490 40.470 38.000 -0.034 0.000 1.227 447 I HN 0.004 nan 8.210 nan 0.000 0.456 448 D N 0.946 121.362 120.400 0.027 0.000 3.060 448 D HA 0.305 4.947 4.640 0.002 0.000 0.326 448 D C -2.850 173.470 176.300 0.033 0.000 1.253 448 D CA -1.389 52.645 54.000 0.057 0.000 0.737 448 D CB 0.303 41.117 40.800 0.024 0.000 1.260 448 D HN 0.324 nan 8.370 nan 0.000 0.542 449 P HA 0.138 nan 4.420 nan 0.000 0.268 449 P C 0.175 177.476 177.300 0.001 0.000 1.208 449 P CA -0.261 62.831 63.100 -0.014 0.000 0.777 449 P CB 1.472 33.148 31.700 -0.039 0.000 0.875 450 I N 1.487 122.013 120.570 -0.074 0.000 2.331 450 I HA 0.232 4.403 4.170 0.002 0.000 0.292 450 I C 0.005 176.108 176.117 -0.024 0.000 0.998 450 I CA -0.804 60.441 61.300 -0.092 0.000 1.267 450 I CB 1.494 39.324 38.000 -0.284 0.000 1.386 450 I HN 0.004 nan 8.210 nan 0.000 0.476 451 V N 7.741 127.674 119.914 0.032 0.000 2.444 451 V HA 0.422 4.543 4.120 0.002 0.000 0.294 451 V C -0.051 176.079 176.094 0.060 0.000 1.022 451 V CA -0.472 61.855 62.300 0.046 0.000 0.850 451 V CB 1.810 33.667 31.823 0.058 0.000 0.992 451 V HN 0.474 nan 8.190 nan 0.000 0.426 452 I N 5.798 126.425 120.570 0.094 0.000 2.307 452 I HA 0.397 4.568 4.170 0.002 0.000 0.289 452 I C -0.318 175.924 176.117 0.208 0.000 1.021 452 I CA -0.288 61.089 61.300 0.129 0.000 1.224 452 I CB 1.418 39.528 38.000 0.183 0.000 1.376 452 I HN 0.432 nan 8.210 nan 0.000 0.470 453 L N 7.165 128.440 121.223 0.086 0.000 2.257 453 L HA 0.458 4.799 4.340 0.002 0.000 0.290 453 L C -0.797 176.173 176.870 0.166 0.000 1.044 453 L CA -0.405 54.461 54.840 0.043 0.000 0.810 453 L CB 0.562 42.431 42.059 -0.316 0.000 1.193 453 L HN 0.443 nan 8.230 nan 0.000 0.425 454 F N 4.382 124.292 119.950 -0.067 0.000 2.464 454 F HA 0.166 4.694 4.527 0.002 0.000 0.353 454 F C 0.663 176.455 175.800 -0.014 0.000 1.191 454 F CA -0.504 57.486 58.000 -0.017 0.000 1.147 454 F CB 0.294 39.302 39.000 0.013 0.000 1.294 454 F HN 0.530 nan 8.300 nan 0.000 0.583 455 N N 3.727 122.506 118.700 0.131 0.000 2.527 455 N HA 0.071 4.812 4.740 0.002 0.000 0.236 455 N C -0.135 175.444 175.510 0.114 0.000 0.999 455 N CA -0.397 52.736 53.050 0.137 0.000 0.935 455 N CB 0.249 38.842 38.487 0.176 0.000 1.132 455 N HN 0.463 nan 8.380 nan 0.000 0.511 456 N N 2.294 121.063 118.700 0.115 0.000 2.234 456 N HA 0.156 4.897 4.740 0.002 0.000 0.227 456 N C 0.138 175.689 175.510 0.068 0.000 1.151 456 N CA -0.105 52.996 53.050 0.085 0.000 0.865 456 N CB 0.154 38.694 38.487 0.089 0.000 1.066 456 N HN 0.348 nan 8.380 nan 0.000 0.515 457 A N -0.679 122.190 122.820 0.081 0.000 2.511 457 A HA -0.043 4.278 4.320 0.002 0.000 0.297 457 A C 0.321 177.906 177.584 0.001 0.000 1.476 457 A CA 1.079 53.151 52.037 0.058 0.000 0.757 457 A CB -2.015 17.023 19.000 0.063 0.000 1.072 457 A HN 0.878 nan 8.150 nan 0.000 0.413 458 S N -1.128 114.565 115.700 -0.012 0.000 2.565 458 S HA 0.546 5.017 4.470 0.002 0.000 0.274 458 S C -1.375 173.268 174.600 0.071 0.000 1.144 458 S CA -0.427 57.762 58.200 -0.018 0.000 0.849 458 S CB 0.562 63.786 63.200 0.040 0.000 1.103 458 S HN 0.980 nan 8.310 nan 0.000 0.455 459 W N 3.396 124.749 121.300 0.088 0.000 1.978 459 W HA 0.346 5.007 4.660 0.001 0.000 0.373 459 W C 1.114 177.675 176.519 0.070 0.000 0.813 459 W CA -0.573 56.824 57.345 0.086 0.000 1.571 459 W CB 0.297 29.829 29.460 0.121 0.000 1.746 459 W HN 0.937 nan 8.180 nan 0.000 0.302 460 E N 1.600 121.939 120.200 0.232 0.000 2.110 460 E HA -0.200 4.151 4.350 0.002 0.000 0.193 460 E C 2.078 178.738 176.600 0.100 0.000 0.988 460 E CA 1.614 58.092 56.400 0.130 0.000 0.804 460 E CB 0.008 29.762 29.700 0.091 0.000 0.745 460 E HN 0.325 nan 8.360 nan 0.000 0.458 461 M N -0.454 119.220 119.600 0.123 0.000 2.213 461 M HA -0.140 4.341 4.480 0.002 0.000 0.263 461 M C 1.899 178.320 176.300 0.201 0.000 1.062 461 M CA 1.085 56.457 55.300 0.119 0.000 1.105 461 M CB -0.152 32.523 32.600 0.125 0.000 1.385 461 M HN 0.197 nan 8.290 nan 0.000 0.417 462 L N -1.039 120.308 121.223 0.206 0.000 2.131 462 L HA -0.128 4.213 4.340 0.002 0.000 0.206 462 L C 2.607 179.584 176.870 0.178 0.000 1.087 462 L CA 0.848 55.827 54.840 0.232 0.000 0.767 462 L CB -0.686 41.527 42.059 0.256 0.000 0.917 462 L HN 0.306 nan 8.230 nan 0.000 0.441 463 R N 0.669 121.242 120.500 0.123 0.000 2.096 463 R HA -0.184 4.157 4.340 0.002 0.000 0.235 463 R C 2.405 178.681 176.300 -0.039 0.000 1.127 463 R CA 2.105 58.223 56.100 0.031 0.000 0.968 463 R CB -0.377 29.935 30.300 0.020 0.000 0.861 463 R HN 0.472 nan 8.270 nan 0.000 0.440 464 T N -1.726 112.769 114.554 -0.099 0.000 2.759 464 T HA -0.156 4.195 4.350 0.002 0.000 0.269 464 T C 1.448 175.864 174.700 -0.473 0.000 1.042 464 T CA 1.323 63.230 62.100 -0.322 0.000 1.140 464 T CB -0.332 68.242 68.868 -0.491 0.000 0.864 464 T HN 0.254 nan 8.240 nan 0.000 0.455 465 F N 1.258 121.206 119.950 -0.004 0.000 2.749 465 F HA 0.454 4.982 4.527 0.002 0.000 0.300 465 F C 1.614 177.409 175.800 -0.008 0.000 1.103 465 F CA -0.453 57.539 58.000 -0.014 0.000 1.342 465 F CB 0.289 39.287 39.000 -0.004 0.000 1.098 465 F HN 0.238 nan 8.300 nan 0.000 0.586 466 Q N 0.777 120.639 119.800 0.104 0.000 3.853 466 Q HA 0.157 4.498 4.340 0.002 0.000 0.220 466 Q C -2.183 173.801 176.000 -0.026 0.000 0.826 466 Q CA -1.173 54.662 55.803 0.052 0.000 0.821 466 Q CB 1.003 29.796 28.738 0.092 0.000 1.546 466 Q HN -0.061 nan 8.270 nan 0.000 0.410 467 P HA -0.199 nan 4.420 nan 0.000 0.225 467 P C 0.760 178.012 177.300 -0.080 0.000 1.148 467 P CA 1.068 64.128 63.100 -0.066 0.000 0.779 467 P CB 0.333 31.994 31.700 -0.065 0.000 0.780 468 E N 0.035 120.190 120.200 -0.075 0.000 2.358 468 E HA -0.005 4.346 4.350 0.002 0.000 0.195 468 E C 0.228 176.751 176.600 -0.128 0.000 1.010 468 E CA 0.287 56.641 56.400 -0.076 0.000 0.856 468 E CB -0.567 29.107 29.700 -0.045 0.000 0.795 468 E HN 0.078 nan 8.360 nan 0.000 0.504 469 S N 0.881 116.443 115.700 -0.230 0.000 2.528 469 S HA 0.401 4.872 4.470 0.002 0.000 0.277 469 S C 0.789 175.127 174.600 -0.438 0.000 1.297 469 S CA 0.074 57.999 58.200 -0.459 0.000 1.052 469 S CB 1.569 64.169 63.200 -1.001 0.000 0.917 469 S HN 0.422 nan 8.310 nan 0.000 0.492 470 A N 2.931 125.566 122.820 -0.307 0.000 2.072 470 A HA 0.081 4.402 4.320 0.002 0.000 0.216 470 A C 1.444 178.985 177.584 -0.072 0.000 1.156 470 A CA 0.606 52.560 52.037 -0.138 0.000 0.701 470 A CB -0.612 18.372 19.000 -0.027 0.000 0.816 470 A HN 0.867 nan 8.150 nan 0.000 0.458 471 F N 0.151 120.161 119.950 0.100 0.000 2.641 471 F HA 0.041 4.569 4.527 0.001 0.000 0.298 471 F C 1.088 176.996 175.800 0.180 0.000 1.146 471 F CA 0.761 58.845 58.000 0.141 0.000 1.464 471 F CB -1.460 37.657 39.000 0.195 0.000 1.101 471 F HN 0.196 nan 8.300 nan 0.000 0.585 472 N N -0.341 118.446 118.700 0.145 0.000 2.412 472 N HA -0.050 4.691 4.740 0.002 0.000 0.184 472 N C -0.549 174.976 175.510 0.026 0.000 1.101 472 N CA 0.076 53.280 53.050 0.257 0.000 0.881 472 N CB -0.047 38.548 38.487 0.180 0.000 0.969 472 N HN 0.163 nan 8.380 nan 0.000 0.459 473 D N 1.468 121.855 120.400 -0.021 0.000 2.325 473 D HA 0.159 4.800 4.640 0.002 0.000 0.251 473 D C 0.008 176.253 176.300 -0.093 0.000 1.196 473 D CA 0.219 54.192 54.000 -0.046 0.000 0.866 473 D CB 1.143 41.929 40.800 -0.023 0.000 1.101 473 D HN 0.114 nan 8.370 nan 0.000 0.476 474 L N 1.394 122.542 121.223 -0.125 0.000 2.365 474 L HA 0.357 4.699 4.340 0.002 0.000 0.267 474 L C 0.747 177.638 176.870 0.033 0.000 1.033 474 L CA -1.055 53.718 54.840 -0.113 0.000 0.802 474 L CB 0.901 42.828 42.059 -0.221 0.000 1.267 474 L HN 0.104 nan 8.230 nan 0.000 0.457 475 D N -0.307 120.180 120.400 0.144 0.000 2.377 475 D HA 0.080 4.721 4.640 0.002 0.000 0.245 475 D C -0.656 175.785 176.300 0.234 0.000 1.196 475 D CA 0.019 54.104 54.000 0.141 0.000 0.962 475 D CB 0.672 41.512 40.800 0.066 0.000 1.127 475 D HN 0.424 nan 8.370 nan 0.000 0.471 476 D N 0.401 120.871 120.400 0.116 0.000 2.411 476 D HA 0.141 4.783 4.640 0.002 0.000 0.225 476 D C -1.076 175.271 176.300 0.078 0.000 1.156 476 D CA -0.505 53.560 54.000 0.108 0.000 0.874 476 D CB 0.098 40.918 40.800 0.034 0.000 1.034 476 D HN 0.119 nan 8.370 nan 0.000 0.502 477 W N 3.607 124.734 121.300 -0.289 0.000 2.365 477 W HA 0.385 5.046 4.660 0.002 0.000 0.316 477 W C 0.697 176.846 176.519 -0.616 0.000 1.164 477 W CA -0.882 56.138 57.345 -0.541 0.000 1.204 477 W CB 0.887 29.742 29.460 -1.008 0.000 1.213 477 W HN 0.131 nan 8.180 nan 0.000 0.539 478 R N 4.324 124.712 120.500 -0.186 0.000 3.657 478 R HA 0.109 4.450 4.340 0.002 0.000 0.220 478 R C 0.608 176.899 176.300 -0.015 0.000 1.548 478 R CA -0.304 55.746 56.100 -0.083 0.000 1.465 478 R CB -0.744 29.541 30.300 -0.026 0.000 1.330 478 R HN 0.500 nan 8.270 nan 0.000 0.707 479 F N 0.866 120.899 119.950 0.137 0.000 2.134 479 F HA -0.207 4.321 4.527 0.002 0.000 0.299 479 F C 2.465 178.295 175.800 0.050 0.000 1.097 479 F CA 1.582 59.617 58.000 0.058 0.000 1.264 479 F CB -0.536 38.300 39.000 -0.274 0.000 1.001 479 F HN 0.404 nan 8.300 nan 0.000 0.479 480 A N -0.032 122.908 122.820 0.200 0.000 1.933 480 A HA -0.192 4.129 4.320 0.002 0.000 0.218 480 A C 1.919 179.583 177.584 0.133 0.000 1.175 480 A CA 2.029 54.148 52.037 0.136 0.000 0.628 480 A CB -0.839 18.211 19.000 0.084 0.000 0.814 480 A HN 0.283 nan 8.150 nan 0.000 0.444 481 D N -0.556 119.915 120.400 0.118 0.000 2.264 481 D HA -0.083 4.559 4.640 0.002 0.000 0.208 481 D C 1.779 178.163 176.300 0.140 0.000 0.966 481 D CA 1.105 55.164 54.000 0.098 0.000 0.864 481 D CB -0.247 40.592 40.800 0.065 0.000 0.933 481 D HN 0.530 nan 8.370 nan 0.000 0.499 482 M N -0.181 119.551 119.600 0.220 0.000 2.541 482 M HA 0.135 4.616 4.480 0.002 0.000 0.252 482 M C 2.086 178.593 176.300 0.344 0.000 1.125 482 M CA 0.123 55.602 55.300 0.299 0.000 1.091 482 M CB 0.302 33.181 32.600 0.464 0.000 1.420 482 M HN -0.081 nan 8.290 nan 0.000 0.486 483 A N 1.026 124.037 122.820 0.317 0.000 1.908 483 A HA -0.108 4.213 4.320 0.002 0.000 0.218 483 A C 2.393 180.096 177.584 0.199 0.000 1.181 483 A CA 2.045 54.292 52.037 0.350 0.000 0.627 483 A CB -0.835 18.315 19.000 0.250 0.000 0.818 483 A HN 0.477 nan 8.150 nan 0.000 0.445 484 A N -0.550 122.332 122.820 0.103 0.000 1.972 484 A HA 0.105 4.426 4.320 0.002 0.000 0.219 484 A C 2.364 180.003 177.584 0.091 0.000 1.169 484 A CA 1.858 53.922 52.037 0.045 0.000 0.635 484 A CB -1.331 17.686 19.000 0.029 0.000 0.810 484 A HN 0.797 nan 8.150 nan 0.000 0.446 485 G N 0.129 109.014 108.800 0.141 0.000 2.448 485 G HA2 -0.106 3.855 3.960 0.002 0.000 0.219 485 G HA3 -0.106 3.855 3.960 0.002 0.000 0.219 485 G C 1.318 176.324 174.900 0.178 0.000 1.127 485 G CA 1.109 46.294 45.100 0.142 0.000 0.766 485 G HN 0.774 nan 8.290 nan 0.000 0.552 486 M N -1.640 118.118 119.600 0.263 0.000 2.576 486 M HA 0.569 5.050 4.480 0.002 0.000 0.322 486 M C 1.025 177.536 176.300 0.352 0.000 1.184 486 M CA 0.256 55.747 55.300 0.318 0.000 0.967 486 M CB 0.679 33.523 32.600 0.407 0.000 1.372 486 M HN 0.213 nan 8.290 nan 0.000 0.509 487 G N 0.081 108.986 108.800 0.176 0.000 2.136 487 G HA2 -0.135 3.827 3.960 0.002 0.000 0.242 487 G HA3 -0.135 3.827 3.960 0.002 0.000 0.242 487 G C 0.026 174.782 174.900 -0.240 0.000 0.989 487 G CA -0.192 44.941 45.100 0.055 0.000 0.682 487 G HN 0.912 nan 8.290 nan 0.000 0.522 488 G N -1.215 107.210 108.800 -0.625 0.000 2.788 488 G HA2 0.606 4.568 3.960 0.002 0.000 0.293 488 G HA3 0.606 4.568 3.960 0.002 0.000 0.293 488 G C -1.497 173.003 174.900 -0.667 0.000 1.305 488 G CA -0.471 43.752 45.100 -1.461 0.000 1.005 488 G HN 0.073 nan 8.290 nan 0.000 0.496 489 D N 0.083 120.155 120.400 -0.546 0.000 2.392 489 D HA 0.502 5.143 4.640 0.002 0.000 0.228 489 D C 0.258 176.485 176.300 -0.122 0.000 1.074 489 D CA 0.066 53.930 54.000 -0.227 0.000 0.838 489 D CB 1.478 42.186 40.800 -0.153 0.000 1.067 489 D HN 0.536 nan 8.370 nan 0.000 0.511 490 G N 0.188 108.963 108.800 -0.042 0.000 2.420 490 G HA2 0.582 4.543 3.960 0.002 0.000 0.331 490 G HA3 0.582 4.543 3.960 0.002 0.000 0.331 490 G C -1.053 173.862 174.900 0.025 0.000 1.168 490 G CA -0.702 44.417 45.100 0.031 0.000 0.936 490 G HN 0.329 nan 8.290 nan 0.000 0.479 491 V N 1.731 121.664 119.914 0.031 0.000 2.777 491 V HA 0.691 4.812 4.120 0.002 0.000 0.306 491 V C -0.607 175.503 176.094 0.026 0.000 1.112 491 V CA -1.105 61.209 62.300 0.023 0.000 0.917 491 V CB 1.861 33.692 31.823 0.013 0.000 1.018 491 V HN 0.899 nan 8.190 nan 0.000 0.426 492 R N 5.005 125.521 120.500 0.027 0.000 2.265 492 R HA 0.773 5.114 4.340 0.002 0.000 0.319 492 R C -1.024 175.283 176.300 0.012 0.000 1.006 492 R CA -0.245 55.870 56.100 0.026 0.000 0.880 492 R CB 1.604 31.924 30.300 0.033 0.000 1.077 492 R HN 0.834 nan 8.270 nan 0.000 0.454 493 V N 2.074 121.990 119.914 0.003 0.000 2.604 493 V HA 0.561 4.682 4.120 0.002 0.000 0.305 493 V C 0.198 176.286 176.094 -0.011 0.000 1.043 493 V CA -0.824 61.473 62.300 -0.006 0.000 0.888 493 V CB 2.028 33.843 31.823 -0.013 0.000 0.995 493 V HN 0.933 nan 8.190 nan 0.000 0.429 494 R N 1.361 121.855 120.500 -0.009 0.000 2.453 494 R HA 0.257 4.598 4.340 0.002 0.000 0.233 494 R C 0.586 176.878 176.300 -0.014 0.000 0.895 494 R CA 0.725 56.819 56.100 -0.010 0.000 1.028 494 R CB 1.068 31.366 30.300 -0.003 0.000 1.255 494 R HN 0.935 nan 8.270 nan 0.000 0.571 495 T N -2.665 111.881 114.554 -0.013 0.000 2.942 495 T HA 0.347 4.698 4.350 0.002 0.000 0.289 495 T C 0.826 175.516 174.700 -0.017 0.000 1.044 495 T CA -0.924 61.168 62.100 -0.013 0.000 1.023 495 T CB 2.503 71.366 68.868 -0.008 0.000 1.123 495 T HN -0.092 nan 8.240 nan 0.000 0.512 496 R N 0.555 121.045 120.500 -0.016 0.000 2.120 496 R HA -0.015 4.326 4.340 0.002 0.000 0.234 496 R C 2.605 178.899 176.300 -0.010 0.000 1.123 496 R CA 1.282 57.372 56.100 -0.016 0.000 0.975 496 R CB -0.803 29.489 30.300 -0.013 0.000 0.866 496 R HN 0.802 nan 8.270 nan 0.000 0.446 497 A N 1.564 124.380 122.820 -0.007 0.000 1.898 497 A HA -0.183 4.139 4.320 0.002 0.000 0.216 497 A C 1.892 179.475 177.584 -0.002 0.000 1.181 497 A CA 1.287 53.322 52.037 -0.003 0.000 0.620 497 A CB -0.253 18.745 19.000 -0.002 0.000 0.819 497 A HN 0.315 nan 8.150 nan 0.000 0.442 498 E N -0.669 119.529 120.200 -0.004 0.000 2.106 498 E HA -0.161 4.190 4.350 0.002 0.000 0.192 498 E C 1.940 178.540 176.600 -0.001 0.000 0.984 498 E CA 1.098 57.497 56.400 -0.001 0.000 0.806 498 E CB -0.265 29.433 29.700 -0.003 0.000 0.750 498 E HN 0.526 nan 8.360 nan 0.000 0.458 499 L N 1.804 123.022 121.223 -0.009 0.000 2.017 499 L HA -0.187 4.154 4.340 0.002 0.000 0.208 499 L C 2.182 179.055 176.870 0.005 0.000 1.073 499 L CA 1.865 56.698 54.840 -0.011 0.000 0.745 499 L CB -0.322 41.719 42.059 -0.030 0.000 0.894 499 L HN -0.114 nan 8.230 nan 0.000 0.432 500 K N -0.002 120.401 120.400 0.005 0.000 2.032 500 K HA -0.149 4.172 4.320 0.002 0.000 0.209 500 K C 1.982 178.595 176.600 0.022 0.000 1.048 500 K CA 1.626 57.921 56.287 0.012 0.000 0.927 500 K CB -0.463 32.040 32.500 0.004 0.000 0.712 500 K HN 0.498 nan 8.250 nan 0.000 0.441 501 A N 0.813 123.644 122.820 0.017 0.000 1.933 501 A HA -0.064 4.257 4.320 0.002 0.000 0.218 501 A C 2.355 179.958 177.584 0.033 0.000 1.175 501 A CA 2.041 54.091 52.037 0.022 0.000 0.628 501 A CB -0.605 18.403 19.000 0.014 0.000 0.814 501 A HN 0.426 nan 8.150 nan 0.000 0.444 502 A N -0.704 122.134 122.820 0.030 0.000 1.930 502 A HA 0.015 4.336 4.320 0.002 0.000 0.217 502 A C 2.104 179.725 177.584 0.061 0.000 1.175 502 A CA 1.622 53.679 52.037 0.034 0.000 0.627 502 A CB -0.535 18.477 19.000 0.020 0.000 0.815 502 A HN 0.571 nan 8.150 nan 0.000 0.443 503 L N -0.025 121.247 121.223 0.083 0.000 2.056 503 L HA -0.137 4.204 4.340 0.002 0.000 0.207 503 L C 1.639 178.655 176.870 0.243 0.000 1.078 503 L CA 2.244 57.182 54.840 0.163 0.000 0.749 503 L CB -0.532 41.624 42.059 0.162 0.000 0.901 503 L HN 0.314 nan 8.230 nan 0.000 0.433 504 D N -0.881 119.607 120.400 0.147 0.000 2.117 504 D HA -0.195 4.446 4.640 0.002 0.000 0.197 504 D C 2.285 178.670 176.300 0.142 0.000 0.987 504 D CA 1.327 55.408 54.000 0.136 0.000 0.829 504 D CB -0.059 40.778 40.800 0.061 0.000 0.961 504 D HN 0.174 nan 8.370 nan 0.000 0.460 505 K N 0.635 121.091 120.400 0.093 0.000 2.097 505 K HA -0.028 4.294 4.320 0.002 0.000 0.206 505 K C 2.131 178.766 176.600 0.057 0.000 1.049 505 K CA 1.164 57.488 56.287 0.063 0.000 0.933 505 K CB -0.602 31.919 32.500 0.035 0.000 0.717 505 K HN 0.223 nan 8.250 nan 0.000 0.442 506 A N -0.477 122.376 122.820 0.054 0.000 1.877 506 A HA 0.013 4.334 4.320 0.002 0.000 0.216 506 A C 2.112 179.654 177.584 -0.069 0.000 1.186 506 A CA 1.811 53.832 52.037 -0.027 0.000 0.620 506 A CB -0.779 18.178 19.000 -0.072 0.000 0.822 506 A HN 0.553 nan 8.150 nan 0.000 0.443 507 F N -0.030 119.928 119.950 0.013 0.000 2.293 507 F HA -0.030 4.498 4.527 0.002 0.000 0.300 507 F C 2.551 178.356 175.800 0.009 0.000 1.086 507 F CA 1.022 59.029 58.000 0.012 0.000 1.375 507 F CB -0.023 38.982 39.000 0.009 0.000 1.045 507 F HN 0.258 nan 8.300 nan 0.000 0.516 508 A N -1.313 121.606 122.820 0.164 0.000 2.208 508 A HA 0.105 4.426 4.320 0.002 0.000 0.209 508 A C 0.696 178.309 177.584 0.049 0.000 1.161 508 A CA 0.633 52.727 52.037 0.096 0.000 0.782 508 A CB -0.586 18.459 19.000 0.075 0.000 0.816 508 A HN 0.117 nan 8.150 nan 0.000 0.477 509 T N 1.879 116.449 114.554 0.026 0.000 2.809 509 T HA 0.490 4.841 4.350 0.002 0.000 0.296 509 T C -0.405 174.285 174.700 -0.016 0.000 1.015 509 T CA -0.690 61.410 62.100 -0.001 0.000 0.954 509 T CB 0.909 69.768 68.868 -0.015 0.000 0.950 509 T HN 0.205 nan 8.240 nan 0.000 0.450 510 R N 1.222 121.719 120.500 -0.006 0.000 2.720 510 R HA 0.796 5.137 4.340 0.002 0.000 0.272 510 R C 1.242 177.536 176.300 -0.011 0.000 0.991 510 R CA -0.509 55.586 56.100 -0.008 0.000 1.010 510 R CB 1.020 31.323 30.300 0.005 0.000 1.141 510 R HN 0.894 nan 8.270 nan 0.000 0.494 511 G N 0.790 109.586 108.800 -0.007 0.000 2.307 511 G HA2 -0.220 3.741 3.960 0.002 0.000 0.210 511 G HA3 -0.220 3.741 3.960 0.002 0.000 0.210 511 G C -0.017 174.878 174.900 -0.007 0.000 1.005 511 G CA -0.327 44.770 45.100 -0.005 0.000 0.634 511 G HN 0.454 nan 8.290 nan 0.000 0.496 512 R N -0.136 120.346 120.500 -0.029 0.000 2.725 512 R HA 0.598 4.939 4.340 0.002 0.000 0.277 512 R C 0.107 176.380 176.300 -0.046 0.000 0.987 512 R CA -0.748 55.312 56.100 -0.066 0.000 0.901 512 R CB 1.320 31.522 30.300 -0.164 0.000 1.207 512 R HN 0.411 nan 8.270 nan 0.000 0.463 513 F N 0.272 120.221 119.950 -0.002 0.000 2.553 513 F HA 0.185 4.713 4.527 0.002 0.000 0.356 513 F C -0.274 175.519 175.800 -0.012 0.000 1.142 513 F CA -0.392 57.600 58.000 -0.013 0.000 1.322 513 F CB 0.550 39.553 39.000 0.004 0.000 1.126 513 F HN 0.088 nan 8.300 nan 0.000 0.599 514 Q N 4.220 124.125 119.800 0.175 0.000 2.348 514 Q HA 0.412 4.753 4.340 0.002 0.000 0.265 514 Q C -1.399 174.707 176.000 0.176 0.000 0.998 514 Q CA -0.790 55.050 55.803 0.062 0.000 0.831 514 Q CB 2.107 30.831 28.738 -0.025 0.000 1.251 514 Q HN 0.840 nan 8.270 nan 0.000 0.456 515 L N 4.404 125.739 121.223 0.187 0.000 2.276 515 L HA 0.491 4.832 4.340 0.002 0.000 0.286 515 L C -0.991 175.920 176.870 0.069 0.000 1.024 515 L CA -0.160 54.788 54.840 0.179 0.000 0.826 515 L CB 0.754 42.988 42.059 0.292 0.000 1.211 515 L HN 0.537 nan 8.230 nan 0.000 0.422 516 I N 4.874 125.466 120.570 0.037 0.000 2.306 516 I HA 0.276 4.447 4.170 0.002 0.000 0.288 516 I C 0.091 176.202 176.117 -0.010 0.000 1.036 516 I CA -0.294 61.014 61.300 0.014 0.000 1.221 516 I CB 1.182 39.189 38.000 0.012 0.000 1.385 516 I HN 0.613 nan 8.210 nan 0.000 0.472 517 E N 6.630 126.826 120.200 -0.006 0.000 2.001 517 E HA 0.451 4.802 4.350 0.002 0.000 0.279 517 E C -0.540 176.054 176.600 -0.010 0.000 1.045 517 E CA -0.615 55.781 56.400 -0.008 0.000 0.833 517 E CB 0.883 30.610 29.700 0.044 0.000 1.077 517 E HN 0.711 nan 8.360 nan 0.000 0.397 518 A N 6.466 129.258 122.820 -0.047 0.000 2.302 518 A HA 0.323 4.644 4.320 0.002 0.000 0.295 518 A C -0.016 177.537 177.584 -0.052 0.000 1.235 518 A CA -0.628 51.358 52.037 -0.085 0.000 0.876 518 A CB 0.260 19.135 19.000 -0.208 0.000 1.133 518 A HN 0.626 nan 8.150 nan 0.000 0.533 519 M N 3.358 122.944 119.600 -0.023 0.000 2.184 519 M HA 0.347 4.828 4.480 0.002 0.000 0.351 519 M C -0.451 175.840 176.300 -0.016 0.000 1.395 519 M CA 0.256 55.558 55.300 0.002 0.000 1.117 519 M CB -0.350 32.257 32.600 0.012 0.000 1.708 519 M HN 0.468 nan 8.290 nan 0.000 0.468 520 I N 5.464 126.036 120.570 0.003 0.000 2.498 520 I HA 0.381 4.552 4.170 0.002 0.000 0.290 520 I C -2.183 173.947 176.117 0.021 0.000 1.032 520 I CA -1.999 59.301 61.300 0.001 0.000 1.073 520 I CB 2.433 40.440 38.000 0.010 0.000 1.251 520 I HN 0.374 nan 8.210 nan 0.000 0.426 521 P HA 0.207 nan 4.420 nan 0.000 0.272 521 P C -0.711 176.601 177.300 0.020 0.000 1.223 521 P CA -0.421 62.687 63.100 0.014 0.000 0.784 521 P CB 0.483 32.186 31.700 0.006 0.000 0.923 522 R N 1.229 121.739 120.500 0.017 0.000 2.679 522 R HA 0.331 4.672 4.340 0.002 0.000 0.268 522 R C 1.418 177.719 176.300 0.003 0.000 1.044 522 R CA 1.044 57.153 56.100 0.015 0.000 1.105 522 R CB -0.501 29.803 30.300 0.008 0.000 0.989 522 R HN 0.869 nan 8.270 nan 0.000 0.447 523 G N 0.597 109.395 108.800 -0.003 0.000 2.199 523 G HA2 -0.261 3.700 3.960 0.002 0.000 0.254 523 G HA3 -0.261 3.700 3.960 0.002 0.000 0.254 523 G C -0.058 174.833 174.900 -0.014 0.000 0.982 523 G CA 0.034 45.123 45.100 -0.019 0.000 0.632 523 G HN 0.425 nan 8.290 nan 0.000 0.529 524 V N 2.395 122.311 119.914 0.003 0.000 2.333 524 V HA 0.682 4.803 4.120 0.002 0.000 0.274 524 V C 0.601 176.711 176.094 0.026 0.000 1.028 524 V CA -0.470 61.836 62.300 0.010 0.000 0.851 524 V CB 1.204 33.035 31.823 0.014 0.000 1.000 524 V HN 0.364 nan 8.190 nan 0.000 0.456 525 L N 3.475 124.708 121.223 0.017 0.000 2.303 525 L HA 0.682 5.023 4.340 0.002 0.000 0.266 525 L C 0.705 177.610 176.870 0.058 0.000 1.011 525 L CA -0.675 54.181 54.840 0.026 0.000 0.818 525 L CB 2.090 44.133 42.059 -0.028 0.000 1.326 525 L HN 0.675 nan 8.230 nan 0.000 0.435 526 S N -1.432 114.324 115.700 0.093 0.000 2.600 526 S HA 0.070 4.542 4.470 0.002 0.000 0.265 526 S C 0.387 175.053 174.600 0.109 0.000 1.325 526 S CA -0.533 57.747 58.200 0.134 0.000 1.002 526 S CB 0.949 64.274 63.200 0.209 0.000 0.921 526 S HN 0.611 nan 8.310 nan 0.000 0.554 527 D N 1.426 121.898 120.400 0.119 0.000 2.117 527 D HA -0.050 4.591 4.640 0.002 0.000 0.197 527 D C 1.965 178.350 176.300 0.141 0.000 0.987 527 D CA 1.707 55.770 54.000 0.106 0.000 0.829 527 D CB -0.902 39.956 40.800 0.096 0.000 0.961 527 D HN 0.716 nan 8.370 nan 0.000 0.460 528 T N 1.193 115.869 114.554 0.204 0.000 2.777 528 T HA -0.122 4.229 4.350 0.002 0.000 0.266 528 T C 1.883 176.805 174.700 0.371 0.000 1.040 528 T CA 0.467 62.748 62.100 0.302 0.000 1.141 528 T CB -0.256 68.827 68.868 0.358 0.000 0.868 528 T HN 0.036 nan 8.240 nan 0.000 0.444 529 L N 1.546 122.896 121.223 0.211 0.000 2.093 529 L HA 0.167 4.508 4.340 0.002 0.000 0.208 529 L C 2.571 179.445 176.870 0.007 0.000 1.085 529 L CA 1.646 56.382 54.840 -0.174 0.000 0.755 529 L CB -1.117 40.646 42.059 -0.493 0.000 0.904 529 L HN 0.208 nan 8.230 nan 0.000 0.435 530 A N -0.323 122.515 122.820 0.029 0.000 1.883 530 A HA -0.245 4.076 4.320 0.002 0.000 0.217 530 A C 2.477 180.091 177.584 0.050 0.000 1.186 530 A CA 1.942 53.986 52.037 0.012 0.000 0.624 530 A CB -0.571 18.441 19.000 0.019 0.000 0.822 530 A HN 0.494 nan 8.150 nan 0.000 0.444 531 R N -2.178 118.391 120.500 0.115 0.000 2.092 531 R HA -0.087 4.254 4.340 0.002 0.000 0.231 531 R C 1.976 178.379 176.300 0.172 0.000 1.119 531 R CA 1.429 57.605 56.100 0.127 0.000 0.970 531 R CB -0.419 29.970 30.300 0.149 0.000 0.864 531 R HN 0.606 nan 8.270 nan 0.000 0.440 532 F N 1.062 121.076 119.950 0.106 0.000 2.102 532 F HA -0.204 4.324 4.527 0.002 0.000 0.298 532 F C 1.928 177.806 175.800 0.130 0.000 1.105 532 F CA 1.310 59.397 58.000 0.144 0.000 1.239 532 F CB -0.438 38.694 39.000 0.221 0.000 0.991 532 F HN -0.284 nan 8.300 nan 0.000 0.474 533 V N -0.109 119.770 119.914 -0.058 0.000 2.295 533 V HA -0.322 3.799 4.120 0.002 0.000 0.246 533 V C 2.503 178.511 176.094 -0.143 0.000 1.049 533 V CA 2.073 64.254 62.300 -0.199 0.000 1.024 533 V CB -1.520 30.126 31.823 -0.295 0.000 0.648 533 V HN 0.485 nan 8.190 nan 0.000 0.447 534 Q N 0.223 119.974 119.800 -0.082 0.000 2.170 534 Q HA -0.128 4.213 4.340 0.002 0.000 0.203 534 Q C 2.267 178.235 176.000 -0.054 0.000 0.976 534 Q CA 1.752 57.523 55.803 -0.054 0.000 0.858 534 Q CB -0.788 27.937 28.738 -0.021 0.000 0.907 534 Q HN 0.834 nan 8.270 nan 0.000 0.433 535 G N -0.457 108.303 108.800 -0.067 0.000 2.394 535 G HA2 -0.224 3.737 3.960 0.002 0.000 0.215 535 G HA3 -0.224 3.737 3.960 0.002 0.000 0.215 535 G C 1.479 176.313 174.900 -0.111 0.000 1.165 535 G CA 0.770 45.831 45.100 -0.065 0.000 0.784 535 G HN 0.464 nan 8.290 nan 0.000 0.535 536 Q N 0.533 120.210 119.800 -0.205 0.000 2.079 536 Q HA -0.073 4.268 4.340 0.002 0.000 0.200 536 Q C 2.926 178.878 176.000 -0.079 0.000 0.974 536 Q CA 1.904 57.598 55.803 -0.182 0.000 0.840 536 Q CB -0.840 27.758 28.738 -0.235 0.000 0.898 536 Q HN 0.575 nan 8.270 nan 0.000 0.430 537 K N 1.172 121.541 120.400 -0.052 0.000 2.127 537 K HA -0.177 4.144 4.320 0.002 0.000 0.208 537 K C 1.742 178.324 176.600 -0.030 0.000 1.047 537 K CA 1.947 58.216 56.287 -0.030 0.000 0.927 537 K CB -1.491 30.988 32.500 -0.035 0.000 0.716 537 K HN 0.478 nan 8.250 nan 0.000 0.450 538 R N 0.000 120.479 120.500 -0.035 0.000 2.786 538 R HA 0.000 4.341 4.340 0.002 0.000 0.208 538 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 538 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 538 R HN 0.000 nan 8.270 nan 0.000 0.535