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 1x38_1_A DATA FIRST_RESID 1 DATA SEQUENCE DYVLYKDATK PVEDRVADLL GRMTLAEKIG QMTQIERLVA TPDVLRDNFI DATA SEQUENCE GSLLSGGGSV PRKGATAKEW QDMVDGFQKA CMSTRLGIPM IYGIDAVHGQ DATA SEQUENCE NNVYGATIFP HNVGLGATRD PYLVKRIGEA TALEVRATGI QYAFAPCIAV DATA SEQUENCE cRDPRWGRcY ESYSEDRRIV QSMTELIPGL QGDVPKDFTS GMPFVAGKNK DATA SEQUENCE VAACAKHFVG DGGTVDGINE NNTIINREGL MNIHMPAYKN AMDKGVSTVM DATA SEQUENCE ISYSSWNGVK MHANQDLVTG YLKDTLKFKG FVISDWEGID RITTPAGSDY DATA SEQUENCE SYSVKASILA GLDMIMVPNK YQQFISILTG HVNGGVIPMS RIDDAVTRIL DATA SEQUENCE RVKFTMGLFE NPYADPAMAE QLGKQEHRDL AREAARKSLV LLKNGKTSTD DATA SEQUENCE APLLPLPKKA PKILVAGSHA DNLGYQCGGW TIEWQGDTGR TTVGTTILEA DATA SEQUENCE VKAAVDPSTV VVFAENPDAE FVKSGGFSYA IVAVGEHPYT ETKGDNLNLT DATA SEQUENCE IPEPGLSTVQ AVcGGVRcAT VLISGRPVVV QPLLAASDAL VAAWLPGSEG DATA SEQUENCE QGVTDALFGD FGFTGRLPRT WFKSVDQLPM NVGDAHYDPL FRLGYGLTTN DATA SEQUENCE AT 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.343 176.300 0.072 0.000 2.045 1 D CA 0.000 54.035 54.000 0.058 0.000 0.868 1 D CB 0.000 40.826 40.800 0.044 0.000 0.688 2 Y N 1.415 121.706 120.300 -0.016 0.000 2.610 2 Y HA 0.401 4.954 4.550 0.005 0.000 0.332 2 Y C -0.559 175.319 175.900 -0.037 0.000 1.201 2 Y CA 0.300 58.383 58.100 -0.029 0.000 1.465 2 Y CB 0.554 38.997 38.460 -0.027 0.000 1.283 2 Y HN 0.087 nan 8.280 nan 0.000 0.563 3 V N 9.730 129.215 119.914 -0.715 0.000 2.275 3 V HA 0.056 4.179 4.120 0.006 0.000 0.272 3 V C 0.900 176.431 176.094 -0.938 0.000 1.028 3 V CA -0.457 61.462 62.300 -0.634 0.000 0.810 3 V CB 0.783 32.345 31.823 -0.435 0.000 1.043 3 V HN 1.057 nan 8.190 nan 0.000 0.453 4 L N 4.720 125.475 121.223 -0.779 0.000 2.042 4 L HA -0.192 4.151 4.340 0.006 0.000 0.210 4 L C 2.372 179.058 176.870 -0.308 0.000 1.076 4 L CA 2.355 56.886 54.840 -0.515 0.000 0.749 4 L CB -0.190 41.816 42.059 -0.090 0.000 0.893 4 L HN 0.889 nan 8.230 nan 0.000 0.432 5 Y N -0.815 119.328 120.300 -0.261 0.000 2.403 5 Y HA -0.142 4.413 4.550 0.007 0.000 0.291 5 Y C 2.015 177.832 175.900 -0.138 0.000 1.143 5 Y CA 1.020 58.971 58.100 -0.249 0.000 1.257 5 Y CB -0.723 37.659 38.460 -0.131 0.000 0.984 5 Y HN 0.055 nan 8.280 nan 0.000 0.550 6 K N 0.180 120.237 120.400 -0.572 0.000 2.426 6 K HA -0.043 4.281 4.320 0.006 0.000 0.193 6 K C -0.036 176.477 176.600 -0.145 0.000 1.028 6 K CA 0.419 56.497 56.287 -0.349 0.000 1.047 6 K CB 0.039 32.258 32.500 -0.468 0.000 0.821 6 K HN 0.187 nan 8.250 nan 0.000 0.513 7 D N 0.667 120.975 120.400 -0.153 0.000 2.365 7 D HA 0.112 4.756 4.640 0.006 0.000 0.237 7 D C 0.605 176.905 176.300 0.000 0.000 1.190 7 D CA -0.180 53.806 54.000 -0.025 0.000 0.867 7 D CB 1.280 42.125 40.800 0.075 0.000 1.050 7 D HN 0.119 nan 8.370 nan 0.000 0.491 8 A N 2.925 125.766 122.820 0.035 0.000 2.178 8 A HA -0.123 4.201 4.320 0.006 0.000 0.218 8 A C 1.896 179.500 177.584 0.035 0.000 1.157 8 A CA 1.653 53.721 52.037 0.052 0.000 0.689 8 A CB -0.481 18.563 19.000 0.074 0.000 0.787 8 A HN 0.622 nan 8.150 nan 0.000 0.465 9 T N -3.370 111.203 114.554 0.031 0.000 3.100 9 T HA 0.138 4.492 4.350 0.006 0.000 0.253 9 T C 0.764 175.469 174.700 0.009 0.000 1.118 9 T CA 0.024 62.139 62.100 0.024 0.000 1.058 9 T CB -0.001 68.883 68.868 0.028 0.000 0.953 9 T HN 0.081 nan 8.240 nan 0.000 0.515 10 K N 2.634 123.030 120.400 -0.006 0.000 2.118 10 K HA 0.451 4.775 4.320 0.006 0.000 0.264 10 K C -2.702 173.856 176.600 -0.070 0.000 1.000 10 K CA -2.636 53.632 56.287 -0.032 0.000 0.929 10 K CB 0.710 33.188 32.500 -0.038 0.000 1.021 10 K HN 0.124 nan 8.250 nan 0.000 0.463 11 P HA -0.005 nan 4.420 nan 0.000 0.268 11 P C 1.033 178.246 177.300 -0.145 0.000 1.205 11 P CA -0.182 62.873 63.100 -0.075 0.000 0.771 11 P CB 0.537 32.202 31.700 -0.059 0.000 0.858 12 V N 2.289 122.130 119.914 -0.123 0.000 2.278 12 V HA -0.271 3.853 4.120 0.006 0.000 0.251 12 V C 2.185 178.140 176.094 -0.232 0.000 1.062 12 V CA 1.913 64.104 62.300 -0.182 0.000 1.038 12 V CB -0.868 30.935 31.823 -0.032 0.000 0.646 12 V HN 0.608 nan 8.190 nan 0.000 0.447 13 E N -0.094 120.025 120.200 -0.135 0.000 2.118 13 E HA -0.209 4.145 4.350 0.006 0.000 0.195 13 E C 1.984 178.494 176.600 -0.150 0.000 0.992 13 E CA 1.391 57.719 56.400 -0.119 0.000 0.804 13 E CB -0.500 29.153 29.700 -0.078 0.000 0.741 13 E HN 0.636 nan 8.360 nan 0.000 0.458 14 D N 0.313 120.619 120.400 -0.156 0.000 2.117 14 D HA -0.098 4.545 4.640 0.006 0.000 0.198 14 D C 2.081 178.245 176.300 -0.225 0.000 0.982 14 D CA 0.800 54.712 54.000 -0.146 0.000 0.828 14 D CB -0.191 40.546 40.800 -0.106 0.000 0.967 14 D HN 0.143 nan 8.370 nan 0.000 0.464 15 R N 0.359 120.618 120.500 -0.402 0.000 2.075 15 R HA -0.044 4.300 4.340 0.006 0.000 0.232 15 R C 2.433 178.318 176.300 -0.691 0.000 1.126 15 R CA 0.607 56.292 56.100 -0.692 0.000 0.963 15 R CB -0.447 29.072 30.300 -1.302 0.000 0.858 15 R HN 0.069 nan 8.270 nan 0.000 0.435 16 V N 1.264 120.839 119.914 -0.566 0.000 2.255 16 V HA -0.283 3.841 4.120 0.006 0.000 0.247 16 V C 2.484 178.516 176.094 -0.103 0.000 1.051 16 V CA 2.137 64.336 62.300 -0.168 0.000 1.018 16 V CB -0.790 31.007 31.823 -0.044 0.000 0.641 16 V HN 0.430 nan 8.190 nan 0.000 0.445 17 A N -0.143 122.608 122.820 -0.115 0.000 1.933 17 A HA -0.292 4.031 4.320 0.006 0.000 0.218 17 A C 2.030 179.574 177.584 -0.067 0.000 1.175 17 A CA 2.155 54.147 52.037 -0.075 0.000 0.628 17 A CB -0.721 18.239 19.000 -0.066 0.000 0.814 17 A HN 0.634 nan 8.150 nan 0.000 0.444 18 D N -0.779 119.576 120.400 -0.075 0.000 2.097 18 D HA -0.155 4.488 4.640 0.006 0.000 0.195 18 D C 1.777 178.062 176.300 -0.025 0.000 0.989 18 D CA 1.378 55.362 54.000 -0.025 0.000 0.827 18 D CB -0.128 40.672 40.800 0.001 0.000 0.966 18 D HN 0.242 nan 8.370 nan 0.000 0.456 19 L N 0.087 121.248 121.223 -0.104 0.000 2.027 19 L HA -0.000 4.344 4.340 0.006 0.000 0.206 19 L C 2.102 178.857 176.870 -0.190 0.000 1.074 19 L CA 1.365 56.013 54.840 -0.319 0.000 0.745 19 L CB -1.082 40.722 42.059 -0.424 0.000 0.898 19 L HN 0.223 nan 8.230 nan 0.000 0.433 20 L N 0.171 121.331 121.223 -0.106 0.000 2.043 20 L HA -0.113 4.230 4.340 0.006 0.000 0.212 20 L C 2.302 179.127 176.870 -0.075 0.000 1.075 20 L CA 2.194 56.986 54.840 -0.079 0.000 0.752 20 L CB -1.413 40.615 42.059 -0.051 0.000 0.891 20 L HN 0.363 nan 8.230 nan 0.000 0.432 21 G N -1.382 107.382 108.800 -0.060 0.000 2.498 21 G HA2 -0.213 3.751 3.960 0.006 0.000 0.219 21 G HA3 -0.213 3.751 3.960 0.006 0.000 0.219 21 G C 1.657 176.532 174.900 -0.042 0.000 1.119 21 G CA 0.595 45.669 45.100 -0.043 0.000 0.766 21 G HN 0.441 nan 8.290 nan 0.000 0.552 22 R N -0.996 119.469 120.500 -0.058 0.000 2.290 22 R HA 0.317 4.660 4.340 0.006 0.000 0.197 22 R C 0.660 176.913 176.300 -0.079 0.000 0.913 22 R CA -0.184 55.887 56.100 -0.048 0.000 1.040 22 R CB 0.195 30.481 30.300 -0.022 0.000 0.992 22 R HN 0.325 nan 8.270 nan 0.000 0.500 23 M N 1.284 120.820 119.600 -0.107 0.000 2.249 23 M HA 0.103 4.586 4.480 0.006 0.000 0.351 23 M C 0.588 176.807 176.300 -0.135 0.000 1.180 23 M CA -0.196 55.018 55.300 -0.143 0.000 1.127 23 M CB 1.516 34.026 32.600 -0.150 0.000 1.546 23 M HN 0.023 nan 8.290 nan 0.000 0.461 24 T N -0.395 114.049 114.554 -0.183 0.000 2.788 24 T HA 0.186 4.540 4.350 0.006 0.000 0.287 24 T C 0.847 175.456 174.700 -0.151 0.000 1.007 24 T CA -0.904 61.101 62.100 -0.159 0.000 1.005 24 T CB 0.827 69.580 68.868 -0.192 0.000 1.012 24 T HN 0.630 nan 8.240 nan 0.000 0.530 25 L N 1.561 122.723 121.223 -0.102 0.000 2.042 25 L HA 0.075 4.418 4.340 0.006 0.000 0.210 25 L C 2.766 179.586 176.870 -0.083 0.000 1.076 25 L CA 2.392 57.185 54.840 -0.078 0.000 0.749 25 L CB -1.632 40.397 42.059 -0.049 0.000 0.893 25 L HN 0.938 nan 8.230 nan 0.000 0.432 26 A N -0.852 121.913 122.820 -0.092 0.000 1.908 26 A HA -0.245 4.079 4.320 0.006 0.000 0.218 26 A C 2.178 179.689 177.584 -0.122 0.000 1.181 26 A CA 1.911 53.928 52.037 -0.035 0.000 0.627 26 A CB -0.634 18.404 19.000 0.065 0.000 0.818 26 A HN 0.617 nan 8.150 nan 0.000 0.445 27 E N -0.283 119.659 120.200 -0.430 0.000 2.106 27 E HA -0.165 4.189 4.350 0.006 0.000 0.192 27 E C 2.080 178.580 176.600 -0.168 0.000 0.984 27 E CA 1.286 57.404 56.400 -0.471 0.000 0.806 27 E CB -0.109 29.235 29.700 -0.595 0.000 0.750 27 E HN 0.595 nan 8.360 nan 0.000 0.458 28 K N 0.528 120.848 120.400 -0.133 0.000 2.026 28 K HA -0.102 4.221 4.320 0.006 0.000 0.208 28 K C 2.156 178.740 176.600 -0.026 0.000 1.048 28 K CA 1.088 57.331 56.287 -0.073 0.000 0.929 28 K CB -0.115 32.345 32.500 -0.067 0.000 0.713 28 K HN 0.106 nan 8.250 nan 0.000 0.439 29 I N 0.765 121.328 120.570 -0.011 0.000 2.315 29 I HA -0.188 3.986 4.170 0.006 0.000 0.248 29 I C 2.468 178.643 176.117 0.096 0.000 1.117 29 I CA 1.167 62.484 61.300 0.029 0.000 1.404 29 I CB -0.623 37.367 38.000 -0.016 0.000 1.071 29 I HN 0.316 nan 8.210 nan 0.000 0.419 30 G N 0.165 109.025 108.800 0.100 0.000 2.469 30 G HA2 -0.265 3.698 3.960 0.006 0.000 0.219 30 G HA3 -0.265 3.698 3.960 0.006 0.000 0.219 30 G C 1.553 176.494 174.900 0.069 0.000 1.150 30 G CA 0.448 45.629 45.100 0.135 0.000 0.763 30 G HN 0.283 nan 8.290 nan 0.000 0.561 31 Q N -0.133 119.679 119.800 0.020 0.000 2.181 31 Q HA 0.024 4.367 4.340 0.006 0.000 0.205 31 Q C 2.533 178.495 176.000 -0.064 0.000 0.980 31 Q CA 0.972 56.749 55.803 -0.044 0.000 0.862 31 Q CB -0.285 28.410 28.738 -0.072 0.000 0.905 31 Q HN 0.570 nan 8.270 nan 0.000 0.429 32 M N -0.120 119.486 119.600 0.011 0.000 2.618 32 M HA 0.001 4.485 4.480 0.006 0.000 0.240 32 M C 0.001 176.348 176.300 0.078 0.000 1.123 32 M CA 0.452 55.777 55.300 0.043 0.000 1.060 32 M CB 0.315 33.000 32.600 0.142 0.000 1.535 32 M HN -0.200 nan 8.290 nan 0.000 0.507 33 T N 1.333 115.934 114.554 0.078 0.000 2.756 33 T HA 0.287 4.641 4.350 0.006 0.000 0.290 33 T C -0.498 174.167 174.700 -0.058 0.000 0.985 33 T CA -0.512 61.614 62.100 0.044 0.000 0.955 33 T CB 1.497 70.479 68.868 0.191 0.000 0.930 33 T HN 0.212 nan 8.240 nan 0.000 0.451 34 Q N 4.135 123.867 119.800 -0.115 0.000 2.322 34 Q HA 0.663 5.006 4.340 0.006 0.000 0.265 34 Q C -0.841 175.072 176.000 -0.145 0.000 0.985 34 Q CA -0.835 54.907 55.803 -0.102 0.000 0.849 34 Q CB 0.870 29.590 28.738 -0.031 0.000 1.274 34 Q HN 0.829 nan 8.270 nan 0.000 0.449 35 I N -0.425 120.044 120.570 -0.168 0.000 2.740 35 I HA 0.565 4.738 4.170 0.006 0.000 0.303 35 I C -0.256 175.735 176.117 -0.210 0.000 1.044 35 I CA -1.071 60.120 61.300 -0.182 0.000 1.064 35 I CB 2.020 39.914 38.000 -0.178 0.000 1.249 35 I HN 0.449 nan 8.210 nan 0.000 0.433 36 E N 3.366 123.453 120.200 -0.188 0.000 2.392 36 E HA 0.020 4.374 4.350 0.006 0.000 0.264 36 E C 0.904 177.429 176.600 -0.126 0.000 1.024 36 E CA 0.075 56.406 56.400 -0.115 0.000 0.903 36 E CB 1.298 30.957 29.700 -0.067 0.000 0.963 36 E HN 0.754 nan 8.360 nan 0.000 0.432 37 R N 3.351 123.801 120.500 -0.083 0.000 2.170 37 R HA -0.161 4.182 4.340 0.006 0.000 0.242 37 R C 1.996 178.322 176.300 0.044 0.000 1.145 37 R CA 1.225 57.279 56.100 -0.077 0.000 0.984 37 R CB -0.437 30.015 30.300 0.253 0.000 0.869 37 R HN 0.411 nan 8.270 nan 0.000 0.455 38 L N 1.544 122.815 121.223 0.079 0.000 2.265 38 L HA -0.080 4.263 4.340 0.006 0.000 0.215 38 L C 2.009 178.919 176.870 0.066 0.000 1.117 38 L CA 0.838 55.732 54.840 0.091 0.000 0.782 38 L CB -0.077 42.044 42.059 0.103 0.000 0.914 38 L HN 0.291 nan 8.230 nan 0.000 0.441 39 V N -4.554 115.380 119.914 0.034 0.000 3.578 39 V HA 0.457 4.581 4.120 0.006 0.000 0.290 39 V C 0.872 176.980 176.094 0.022 0.000 1.376 39 V CA -0.170 62.172 62.300 0.070 0.000 1.083 39 V CB -0.350 31.560 31.823 0.145 0.000 0.911 39 V HN 0.116 nan 8.190 nan 0.000 0.433 40 A N 0.177 122.955 122.820 -0.070 0.000 2.316 40 A HA 0.768 5.092 4.320 0.006 0.000 0.284 40 A C 0.126 177.732 177.584 0.037 0.000 1.115 40 A CA 0.092 52.032 52.037 -0.163 0.000 0.812 40 A CB 0.997 19.690 19.000 -0.512 0.000 1.064 40 A HN 0.429 nan 8.150 nan 0.000 0.489 41 T N 1.702 116.275 114.554 0.031 0.000 2.868 41 T HA 0.524 4.877 4.350 0.006 0.000 0.306 41 T C -2.212 172.540 174.700 0.086 0.000 1.224 41 T CA -0.787 61.376 62.100 0.105 0.000 1.012 41 T CB 1.797 70.697 68.868 0.053 0.000 1.221 41 T HN 0.310 nan 8.240 nan 0.000 0.499 42 P HA -0.095 nan 4.420 nan 0.000 0.215 42 P C 0.857 178.159 177.300 0.002 0.000 1.157 42 P CA 1.169 64.309 63.100 0.067 0.000 0.874 42 P CB 0.206 31.936 31.700 0.050 0.000 0.790 43 D N -1.078 119.316 120.400 -0.009 0.000 2.117 43 D HA -0.104 4.540 4.640 0.006 0.000 0.197 43 D C 2.042 178.293 176.300 -0.082 0.000 0.987 43 D CA 0.916 54.892 54.000 -0.041 0.000 0.829 43 D CB -0.846 39.942 40.800 -0.021 0.000 0.961 43 D HN -0.057 nan 8.370 nan 0.000 0.460 44 V N 0.977 120.840 119.914 -0.084 0.000 2.332 44 V HA -0.222 3.902 4.120 0.006 0.000 0.248 44 V C 2.611 178.562 176.094 -0.237 0.000 1.055 44 V CA 1.196 63.394 62.300 -0.170 0.000 1.038 44 V CB -0.427 31.260 31.823 -0.227 0.000 0.651 44 V HN 0.209 nan 8.190 nan 0.000 0.450 45 L N -0.865 120.250 121.223 -0.180 0.000 2.056 45 L HA -0.143 4.200 4.340 0.006 0.000 0.207 45 L C 2.733 179.498 176.870 -0.174 0.000 1.078 45 L CA 1.594 56.333 54.840 -0.168 0.000 0.749 45 L CB -0.544 41.467 42.059 -0.080 0.000 0.901 45 L HN 0.217 nan 8.230 nan 0.000 0.433 46 R N 0.138 120.537 120.500 -0.168 0.000 2.057 46 R HA -0.144 4.199 4.340 0.006 0.000 0.229 46 R C 1.944 177.956 176.300 -0.480 0.000 1.136 46 R CA 1.724 57.686 56.100 -0.230 0.000 0.952 46 R CB -0.098 30.118 30.300 -0.139 0.000 0.848 46 R HN 0.288 nan 8.270 nan 0.000 0.430 47 D N 0.203 120.379 120.400 -0.374 0.000 2.178 47 D HA -0.121 4.523 4.640 0.006 0.000 0.201 47 D C 0.888 176.858 176.300 -0.551 0.000 0.980 47 D CA 1.086 54.831 54.000 -0.426 0.000 0.842 47 D CB -0.193 40.489 40.800 -0.196 0.000 0.948 47 D HN 0.279 nan 8.370 nan 0.000 0.472 48 N N -0.175 118.293 118.700 -0.387 0.000 2.230 48 N HA 0.028 4.771 4.740 0.006 0.000 0.202 48 N C -0.179 175.317 175.510 -0.024 0.000 1.119 48 N CA -0.129 52.821 53.050 -0.166 0.000 0.851 48 N CB 0.607 39.046 38.487 -0.080 0.000 0.990 48 N HN 0.103 nan 8.380 nan 0.000 0.497 49 F N 0.653 120.580 119.950 -0.039 0.000 3.067 49 F HA -0.220 4.311 4.527 0.006 0.000 0.279 49 F C 0.159 175.924 175.800 -0.059 0.000 0.945 49 F CA -0.043 57.932 58.000 -0.041 0.000 0.948 49 F CB -1.659 37.325 39.000 -0.027 0.000 0.898 49 F HN 0.042 nan 8.300 nan 0.000 0.746 50 I N 0.803 121.377 120.570 0.006 0.000 2.710 50 I HA -0.018 4.155 4.170 0.006 0.000 0.286 50 I C 1.733 177.826 176.117 -0.041 0.000 1.181 50 I CA 1.096 62.370 61.300 -0.043 0.000 1.430 50 I CB 0.447 38.358 38.000 -0.148 0.000 1.367 50 I HN 0.387 nan 8.210 nan 0.000 0.577 51 G N 4.045 112.815 108.800 -0.050 0.000 2.662 51 G HA2 0.073 4.037 3.960 0.006 0.000 0.212 51 G HA3 0.073 4.037 3.960 0.006 0.000 0.212 51 G C 0.564 175.407 174.900 -0.096 0.000 1.141 51 G CA 0.316 45.367 45.100 -0.082 0.000 0.797 51 G HN 0.574 nan 8.290 nan 0.000 0.531 52 S N -1.357 114.291 115.700 -0.088 0.000 2.547 52 S HA 0.693 5.167 4.470 0.006 0.000 0.270 52 S C -1.898 172.625 174.600 -0.128 0.000 1.150 52 S CA -0.604 57.558 58.200 -0.063 0.000 0.850 52 S CB 1.285 64.486 63.200 0.002 0.000 1.118 52 S HN 0.024 nan 8.310 nan 0.000 0.461 53 L N 3.025 124.128 121.223 -0.200 0.000 2.333 53 L HA 0.825 5.169 4.340 0.006 0.000 0.263 53 L C -0.728 175.798 176.870 -0.573 0.000 1.014 53 L CA -0.624 53.969 54.840 -0.412 0.000 0.820 53 L CB 1.885 43.608 42.059 -0.560 0.000 1.352 53 L HN 0.786 nan 8.230 nan 0.000 0.421 54 L N -2.116 118.816 121.223 -0.485 0.000 2.376 54 L HA 0.799 5.142 4.340 0.006 0.000 0.258 54 L C -0.867 175.939 176.870 -0.106 0.000 1.013 54 L CA -0.484 54.157 54.840 -0.332 0.000 0.822 54 L CB 2.398 44.576 42.059 0.199 0.000 1.388 54 L HN 0.392 nan 8.230 nan 0.000 0.413 55 S N 0.806 116.646 115.700 0.234 0.000 2.422 55 S HA 0.628 5.102 4.470 0.006 0.000 0.308 55 S C 0.351 175.221 174.600 0.450 0.000 1.097 55 S CA -0.204 58.264 58.200 0.448 0.000 1.099 55 S CB 1.195 64.792 63.200 0.662 0.000 0.976 55 S HN 0.991 nan 8.310 nan 0.000 0.471 56 G N 2.051 111.117 108.800 0.442 0.000 2.684 56 G HA2 0.453 4.417 3.960 0.006 0.000 0.255 56 G HA3 0.453 4.417 3.960 0.006 0.000 0.255 56 G C 0.505 175.563 174.900 0.263 0.000 1.219 56 G CA -0.517 44.758 45.100 0.292 0.000 0.901 56 G HN 0.824 nan 8.290 nan 0.000 0.548 57 G N -1.589 107.327 108.800 0.193 0.000 2.225 57 G HA2 0.496 4.460 3.960 0.006 0.000 0.245 57 G HA3 0.496 4.460 3.960 0.006 0.000 0.245 57 G C 1.284 176.323 174.900 0.232 0.000 1.249 57 G CA 0.751 46.059 45.100 0.347 0.000 0.919 57 G HN 2.007 nan 8.290 nan 0.000 0.486 58 G N 1.015 110.001 108.800 0.311 0.000 2.184 58 G HA2 -0.261 3.702 3.960 0.006 0.000 0.264 58 G HA3 -0.261 3.702 3.960 0.006 0.000 0.264 58 G C 0.825 175.870 174.900 0.243 0.000 0.975 58 G CA 0.700 45.956 45.100 0.260 0.000 0.642 58 G HN 1.498 nan 8.290 nan 0.000 0.536 59 S N 0.509 116.378 115.700 0.283 0.000 2.681 59 S HA 0.580 5.054 4.470 0.006 0.000 0.313 59 S C 0.360 175.135 174.600 0.292 0.000 1.137 59 S CA 0.193 58.551 58.200 0.264 0.000 1.045 59 S CB 0.066 63.442 63.200 0.293 0.000 1.208 59 S HN 1.653 nan 8.310 nan 0.000 0.523 60 V N 3.804 123.810 119.914 0.153 0.000 2.914 60 V HA 0.706 4.829 4.120 0.006 0.000 0.314 60 V C -1.952 174.002 176.094 -0.233 0.000 1.084 60 V CA -2.033 60.233 62.300 -0.056 0.000 0.963 60 V CB 1.433 33.364 31.823 0.180 0.000 1.025 60 V HN 0.436 nan 8.190 nan 0.000 0.432 61 P HA -0.009 nan 4.420 nan 0.000 0.218 61 P C 0.182 177.357 177.300 -0.209 0.000 1.149 61 P CA 1.137 64.020 63.100 -0.361 0.000 0.817 61 P CB 0.117 31.504 31.700 -0.522 0.000 0.785 62 R N -2.142 118.242 120.500 -0.193 0.000 2.728 62 R HA 0.319 4.662 4.340 0.006 0.000 0.274 62 R C -1.070 175.207 176.300 -0.037 0.000 1.032 62 R CA -1.111 54.937 56.100 -0.087 0.000 0.866 62 R CB 0.626 30.876 30.300 -0.083 0.000 1.263 62 R HN -0.296 nan 8.270 nan 0.000 0.475 63 K N 0.619 121.011 120.400 -0.013 0.000 2.401 63 K HA 0.230 4.553 4.320 0.006 0.000 0.278 63 K C 0.752 177.317 176.600 -0.058 0.000 1.018 63 K CA 0.540 56.830 56.287 0.005 0.000 0.981 63 K CB 0.539 33.038 32.500 -0.001 0.000 0.933 63 K HN 0.981 nan 8.250 nan 0.000 0.477 64 G N 0.855 109.613 108.800 -0.071 0.000 2.153 64 G HA2 -0.316 3.647 3.960 0.006 0.000 0.252 64 G HA3 -0.316 3.647 3.960 0.006 0.000 0.252 64 G C 0.362 175.222 174.900 -0.068 0.000 0.994 64 G CA 0.261 45.185 45.100 -0.295 0.000 0.698 64 G HN 1.039 nan 8.290 nan 0.000 0.521 65 A N 0.400 123.262 122.820 0.070 0.000 2.498 65 A HA 0.615 4.938 4.320 0.006 0.000 0.239 65 A C 1.215 178.939 177.584 0.234 0.000 1.068 65 A CA 1.193 53.275 52.037 0.075 0.000 0.766 65 A CB 0.125 19.076 19.000 -0.081 0.000 1.003 65 A HN 1.861 nan 8.150 nan 0.000 0.497 66 T N -0.492 114.163 114.554 0.168 0.000 2.788 66 T HA 0.477 4.830 4.350 0.006 0.000 0.287 66 T C 1.425 176.305 174.700 0.300 0.000 1.007 66 T CA -0.033 62.187 62.100 0.201 0.000 1.005 66 T CB 0.974 69.908 68.868 0.111 0.000 1.012 66 T HN 1.296 nan 8.240 nan 0.000 0.530 67 A N 0.859 123.809 122.820 0.218 0.000 1.917 67 A HA -0.128 4.196 4.320 0.006 0.000 0.219 67 A C 2.341 180.037 177.584 0.186 0.000 1.182 67 A CA 2.143 54.292 52.037 0.187 0.000 0.633 67 A CB -1.031 18.020 19.000 0.084 0.000 0.819 67 A HN 0.999 nan 8.150 nan 0.000 0.448 68 K N -0.233 120.240 120.400 0.122 0.000 2.097 68 K HA -0.203 4.121 4.320 0.006 0.000 0.206 68 K C 1.886 178.530 176.600 0.072 0.000 1.049 68 K CA 1.710 58.044 56.287 0.080 0.000 0.933 68 K CB -0.196 32.331 32.500 0.045 0.000 0.717 68 K HN 0.648 nan 8.250 nan 0.000 0.442 69 E N -0.538 119.708 120.200 0.076 0.000 2.077 69 E HA -0.201 4.152 4.350 0.006 0.000 0.193 69 E C 1.774 178.353 176.600 -0.035 0.000 0.989 69 E CA 1.537 57.930 56.400 -0.011 0.000 0.800 69 E CB -0.168 29.497 29.700 -0.058 0.000 0.746 69 E HN 0.430 nan 8.360 nan 0.000 0.452 70 W N 1.584 122.865 121.300 -0.031 0.000 2.355 70 W HA -0.173 4.490 4.660 0.006 0.000 0.309 70 W C 2.477 178.945 176.519 -0.086 0.000 1.206 70 W CA 1.039 58.351 57.345 -0.055 0.000 1.284 70 W CB -0.283 29.155 29.460 -0.037 0.000 1.145 70 W HN 0.106 nan 8.180 nan 0.000 0.502 71 Q N -0.145 119.764 119.800 0.182 0.000 2.061 71 Q HA -0.220 4.124 4.340 0.006 0.000 0.204 71 Q C 1.660 177.674 176.000 0.024 0.000 0.984 71 Q CA 1.717 57.571 55.803 0.086 0.000 0.846 71 Q CB -0.530 28.251 28.738 0.071 0.000 0.902 71 Q HN 0.265 nan 8.270 nan 0.000 0.421 72 D N 0.339 120.733 120.400 -0.010 0.000 2.144 72 D HA -0.160 4.484 4.640 0.006 0.000 0.199 72 D C 1.744 177.958 176.300 -0.142 0.000 0.984 72 D CA 0.940 54.901 54.000 -0.065 0.000 0.834 72 D CB -0.203 40.554 40.800 -0.072 0.000 0.955 72 D HN 0.228 nan 8.370 nan 0.000 0.465 73 M N 0.394 119.883 119.600 -0.186 0.000 2.067 73 M HA -0.166 4.318 4.480 0.006 0.000 0.260 73 M C 1.929 177.993 176.300 -0.393 0.000 1.069 73 M CA 1.315 56.401 55.300 -0.356 0.000 1.117 73 M CB 0.038 32.447 32.600 -0.320 0.000 1.334 73 M HN -0.142 nan 8.290 nan 0.000 0.407 74 V N 0.967 120.800 119.914 -0.136 0.000 2.295 74 V HA -0.281 3.843 4.120 0.006 0.000 0.246 74 V C 1.852 177.993 176.094 0.080 0.000 1.049 74 V CA 2.101 64.408 62.300 0.011 0.000 1.024 74 V CB -1.040 30.748 31.823 -0.060 0.000 0.648 74 V HN 0.464 nan 8.190 nan 0.000 0.447 75 D N 0.719 121.155 120.400 0.060 0.000 2.149 75 D HA -0.124 4.519 4.640 0.006 0.000 0.198 75 D C 2.196 178.564 176.300 0.114 0.000 0.990 75 D CA 1.609 55.712 54.000 0.171 0.000 0.839 75 D CB -0.581 40.295 40.800 0.127 0.000 0.948 75 D HN 0.475 nan 8.370 nan 0.000 0.460 76 G N -0.271 108.484 108.800 -0.075 0.000 2.418 76 G HA2 -0.232 3.732 3.960 0.006 0.000 0.217 76 G HA3 -0.232 3.732 3.960 0.006 0.000 0.217 76 G C 1.594 176.482 174.900 -0.020 0.000 1.158 76 G CA 0.196 45.219 45.100 -0.129 0.000 0.771 76 G HN 0.280 nan 8.290 nan 0.000 0.545 77 F N 0.284 120.281 119.950 0.078 0.000 2.134 77 F HA -0.085 4.446 4.527 0.006 0.000 0.299 77 F C 2.981 178.820 175.800 0.065 0.000 1.097 77 F CA 1.166 59.212 58.000 0.076 0.000 1.264 77 F CB -0.097 38.981 39.000 0.130 0.000 1.001 77 F HN 0.138 nan 8.300 nan 0.000 0.479 78 Q N 1.357 121.316 119.800 0.265 0.000 2.084 78 Q HA -0.218 4.126 4.340 0.006 0.000 0.202 78 Q C 2.030 178.118 176.000 0.148 0.000 0.978 78 Q CA 1.717 57.591 55.803 0.119 0.000 0.844 78 Q CB -0.306 28.422 28.738 -0.018 0.000 0.898 78 Q HN 0.268 nan 8.270 nan 0.000 0.426 79 K N -0.865 119.701 120.400 0.277 0.000 2.074 79 K HA -0.185 4.138 4.320 0.006 0.000 0.209 79 K C 1.826 178.508 176.600 0.137 0.000 1.048 79 K CA 1.364 57.800 56.287 0.248 0.000 0.926 79 K CB -0.307 32.287 32.500 0.157 0.000 0.713 79 K HN 0.279 nan 8.250 nan 0.000 0.444 80 A N 0.508 123.398 122.820 0.116 0.000 1.898 80 A HA -0.154 4.170 4.320 0.006 0.000 0.216 80 A C 2.401 180.013 177.584 0.047 0.000 1.181 80 A CA 1.580 53.661 52.037 0.075 0.000 0.620 80 A CB -0.891 18.161 19.000 0.086 0.000 0.819 80 A HN 0.560 nan 8.150 nan 0.000 0.442 81 C N -0.826 118.502 119.300 0.046 0.000 2.440 81 C HA -0.070 4.394 4.460 0.006 0.000 0.278 81 C C 2.727 177.723 174.990 0.011 0.000 1.295 81 C CA 1.112 60.136 59.018 0.009 0.000 1.738 81 C CB -1.004 26.724 27.740 -0.020 0.000 1.987 81 C HN 0.550 nan 8.230 nan 0.000 0.492 82 M N 1.768 121.378 119.600 0.017 0.000 2.460 82 M HA -0.052 4.432 4.480 0.006 0.000 0.263 82 M C 2.224 178.566 176.300 0.070 0.000 1.071 82 M CA 1.371 56.688 55.300 0.029 0.000 1.096 82 M CB -1.379 31.256 32.600 0.059 0.000 1.408 82 M HN 0.606 nan 8.290 nan 0.000 0.463 83 S N -0.770 114.971 115.700 0.068 0.000 2.558 83 S HA 0.005 4.479 4.470 0.006 0.000 0.217 83 S C 1.039 175.680 174.600 0.069 0.000 0.975 83 S CA 0.127 58.366 58.200 0.065 0.000 0.912 83 S CB -0.890 62.340 63.200 0.051 0.000 0.776 83 S HN 0.549 nan 8.310 nan 0.000 0.526 84 T N -0.428 114.177 114.554 0.084 0.000 2.748 84 T HA 0.251 4.605 4.350 0.006 0.000 0.304 84 T C 1.011 175.810 174.700 0.166 0.000 1.041 84 T CA -0.501 61.686 62.100 0.143 0.000 1.033 84 T CB 0.695 69.704 68.868 0.235 0.000 0.995 84 T HN 0.324 nan 8.240 nan 0.000 0.536 85 R N -0.079 120.551 120.500 0.217 0.000 2.103 85 R HA -0.064 4.279 4.340 0.006 0.000 0.242 85 R C 2.018 178.411 176.300 0.154 0.000 1.142 85 R CA 1.658 57.856 56.100 0.163 0.000 0.960 85 R CB -0.494 29.900 30.300 0.157 0.000 0.858 85 R HN 0.782 nan 8.270 nan 0.000 0.439 86 L N -0.935 120.384 121.223 0.160 0.000 2.477 86 L HA 0.245 4.588 4.340 0.006 0.000 0.220 86 L C 1.057 178.082 176.870 0.257 0.000 1.106 86 L CA 0.365 55.327 54.840 0.204 0.000 0.851 86 L CB 0.291 42.395 42.059 0.074 0.000 0.994 86 L HN 0.551 nan 8.230 nan 0.000 0.462 87 G N 1.881 110.784 108.800 0.171 0.000 2.295 87 G HA2 -0.289 3.675 3.960 0.006 0.000 0.287 87 G HA3 -0.289 3.675 3.960 0.006 0.000 0.287 87 G C 0.109 175.040 174.900 0.052 0.000 1.055 87 G CA -0.101 45.072 45.100 0.121 0.000 0.922 87 G HN 0.318 nan 8.290 nan 0.000 0.503 88 I N 2.179 122.752 120.570 0.005 0.000 2.436 88 I HA 0.194 4.368 4.170 0.006 0.000 0.289 88 I C -1.189 174.731 176.117 -0.327 0.000 1.083 88 I CA -1.909 59.275 61.300 -0.194 0.000 1.372 88 I CB 0.776 38.721 38.000 -0.092 0.000 1.408 88 I HN 0.027 nan 8.210 nan 0.000 0.516 89 P HA 0.089 nan 4.420 nan 0.000 0.271 89 P C -0.632 176.477 177.300 -0.320 0.000 1.216 89 P CA -0.524 62.311 63.100 -0.441 0.000 0.776 89 P CB 0.924 32.279 31.700 -0.575 0.000 0.881 90 M N 2.884 122.377 119.600 -0.178 0.000 2.228 90 M HA 0.424 4.908 4.480 0.006 0.000 0.326 90 M C -0.229 176.034 176.300 -0.061 0.000 1.122 90 M CA -0.067 55.172 55.300 -0.101 0.000 1.161 90 M CB 0.251 32.830 32.600 -0.035 0.000 1.437 90 M HN 0.258 nan 8.290 nan 0.000 0.465 91 I N 1.814 122.377 120.570 -0.011 0.000 2.377 91 I HA 0.418 4.592 4.170 0.006 0.000 0.293 91 I C -1.837 174.393 176.117 0.188 0.000 0.987 91 I CA -0.885 60.463 61.300 0.080 0.000 1.185 91 I CB 1.010 39.045 38.000 0.058 0.000 1.341 91 I HN 0.820 nan 8.210 nan 0.000 0.455 92 Y N 6.292 126.671 120.300 0.132 0.000 2.331 92 Y HA 0.644 5.197 4.550 0.006 0.000 0.338 92 Y C 0.254 176.221 175.900 0.112 0.000 0.976 92 Y CA -0.415 57.768 58.100 0.138 0.000 1.137 92 Y CB 1.523 40.071 38.460 0.146 0.000 1.172 92 Y HN 0.593 nan 8.280 nan 0.000 0.478 93 G N 5.708 114.493 108.800 -0.025 0.000 2.441 93 G HA2 0.674 4.637 3.960 0.006 0.000 0.334 93 G HA3 0.674 4.637 3.960 0.006 0.000 0.334 93 G C -1.850 172.803 174.900 -0.411 0.000 1.161 93 G CA -0.719 44.075 45.100 -0.511 0.000 0.935 93 G HN 0.747 nan 8.290 nan 0.000 0.488 94 I N -0.610 119.508 120.570 -0.752 0.000 2.908 94 I HA 0.229 4.402 4.170 0.006 0.000 0.300 94 I C -1.299 174.699 176.117 -0.198 0.000 1.385 94 I CA -0.951 60.247 61.300 -0.170 0.000 1.004 94 I CB 2.561 40.598 38.000 0.062 0.000 1.309 94 I HN 0.375 nan 8.210 nan 0.000 0.449 95 D N 6.679 127.166 120.400 0.145 0.000 2.470 95 D HA 0.246 4.889 4.640 0.006 0.000 0.226 95 D C -0.175 176.100 176.300 -0.042 0.000 1.196 95 D CA 0.092 54.089 54.000 -0.005 0.000 0.979 95 D CB 1.023 41.657 40.800 -0.277 0.000 1.059 95 D HN 0.473 nan 8.370 nan 0.000 0.515 96 A N 2.155 124.925 122.820 -0.084 0.000 2.774 96 A HA 0.282 4.605 4.320 0.006 0.000 0.326 96 A C 1.163 178.721 177.584 -0.044 0.000 1.478 96 A CA -0.610 51.399 52.037 -0.047 0.000 1.099 96 A CB -0.071 18.881 19.000 -0.081 0.000 1.148 96 A HN 0.405 nan 8.150 nan 0.000 0.519 97 V N -0.416 119.498 119.914 0.001 0.000 3.645 97 V HA 0.275 4.398 4.120 0.006 0.000 0.275 97 V C 0.489 176.674 176.094 0.152 0.000 1.356 97 V CA 1.168 63.456 62.300 -0.021 0.000 1.051 97 V CB -1.570 30.115 31.823 -0.229 0.000 0.828 97 V HN 0.963 nan 8.190 nan 0.000 0.441 98 H N -1.234 117.841 119.070 0.008 0.000 2.806 98 H HA 0.683 5.243 4.556 0.006 0.000 0.218 98 H C 0.276 175.714 175.328 0.183 0.000 1.392 98 H CA -0.226 55.843 56.048 0.035 0.000 1.358 98 H CB 0.380 30.049 29.762 -0.154 0.000 1.944 98 H HN 0.693 nan 8.280 nan 0.000 0.530 99 G N 1.493 110.429 108.800 0.228 0.000 2.685 99 G HA2 -0.273 3.690 3.960 0.006 0.000 0.387 99 G HA3 -0.273 3.690 3.960 0.006 0.000 0.387 99 G C -0.521 174.400 174.900 0.035 0.000 1.324 99 G CA -0.408 44.822 45.100 0.215 0.000 0.878 99 G HN 0.631 nan 8.290 nan 0.000 0.527 100 Q N 0.790 120.582 119.800 -0.014 0.000 3.181 100 Q HA 0.310 4.654 4.340 0.006 0.000 0.293 100 Q C 1.623 177.577 176.000 -0.076 0.000 1.406 100 Q CA 0.868 56.625 55.803 -0.077 0.000 1.026 100 Q CB -0.973 27.687 28.738 -0.131 0.000 1.630 100 Q HN 0.691 nan 8.270 nan 0.000 0.553 101 N N -0.104 118.594 118.700 -0.002 0.000 2.453 101 N HA -0.123 4.621 4.740 0.006 0.000 0.183 101 N C 0.649 176.234 175.510 0.124 0.000 1.041 101 N CA 0.798 53.866 53.050 0.030 0.000 0.900 101 N CB 0.002 38.576 38.487 0.145 0.000 0.961 101 N HN 0.268 nan 8.380 nan 0.000 0.443 102 N N -0.025 118.759 118.700 0.139 0.000 2.457 102 N HA 0.011 4.754 4.740 0.006 0.000 0.180 102 N C -0.506 175.127 175.510 0.205 0.000 1.050 102 N CA 0.325 53.509 53.050 0.224 0.000 0.906 102 N CB 0.367 39.028 38.487 0.289 0.000 0.968 102 N HN 0.134 nan 8.380 nan 0.000 0.445 103 V N 1.765 121.701 119.914 0.037 0.000 2.439 103 V HA 0.092 4.216 4.120 0.006 0.000 0.282 103 V C -0.181 175.981 176.094 0.114 0.000 1.039 103 V CA -0.918 61.404 62.300 0.036 0.000 0.913 103 V CB 0.863 32.491 31.823 -0.326 0.000 0.983 103 V HN 0.132 nan 8.190 nan 0.000 0.460 104 Y N 4.025 124.407 120.300 0.137 0.000 2.620 104 Y HA 0.407 4.960 4.550 0.006 0.000 0.330 104 Y C 1.314 177.239 175.900 0.040 0.000 1.186 104 Y CA 1.395 59.548 58.100 0.089 0.000 1.467 104 Y CB 0.586 39.114 38.460 0.113 0.000 1.262 104 Y HN 0.956 nan 8.280 nan 0.000 0.550 105 G N 3.156 111.578 108.800 -0.629 0.000 2.176 105 G HA2 -0.252 3.711 3.960 0.006 0.000 0.253 105 G HA3 -0.252 3.711 3.960 0.006 0.000 0.253 105 G C 0.201 174.973 174.900 -0.213 0.000 0.979 105 G CA -0.021 44.834 45.100 -0.410 0.000 0.641 105 G HN 1.263 nan 8.290 nan 0.000 0.530 106 A N 0.568 123.282 122.820 -0.176 0.000 2.425 106 A HA 0.629 4.953 4.320 0.006 0.000 0.249 106 A C 0.913 178.382 177.584 -0.191 0.000 1.084 106 A CA 1.008 52.960 52.037 -0.142 0.000 0.781 106 A CB 0.224 19.148 19.000 -0.127 0.000 1.019 106 A HN 0.885 nan 8.150 nan 0.000 0.490 107 T N 3.413 117.856 114.554 -0.184 0.000 2.871 107 T HA 0.233 4.587 4.350 0.006 0.000 0.296 107 T C 0.214 174.651 174.700 -0.438 0.000 0.998 107 T CA 0.509 62.405 62.100 -0.341 0.000 1.162 107 T CB -0.215 68.410 68.868 -0.405 0.000 0.947 107 T HN 0.331 nan 8.240 nan 0.000 0.536 108 I N 4.577 124.859 120.570 -0.481 0.000 2.328 108 I HA 0.355 4.529 4.170 0.006 0.000 0.287 108 I C 0.039 175.866 176.117 -0.483 0.000 1.012 108 I CA -0.902 60.108 61.300 -0.484 0.000 1.195 108 I CB 0.281 38.031 38.000 -0.417 0.000 1.350 108 I HN 0.517 nan 8.210 nan 0.000 0.464 109 F N 6.901 126.715 119.950 -0.226 0.000 2.370 109 F HA 0.414 4.944 4.527 0.006 0.000 0.319 109 F C -1.705 174.088 175.800 -0.013 0.000 1.129 109 F CA -1.982 55.966 58.000 -0.088 0.000 1.109 109 F CB 0.002 38.970 39.000 -0.055 0.000 1.262 109 F HN 0.272 nan 8.300 nan 0.000 0.534 110 P HA -0.019 nan 4.420 nan 0.000 0.267 110 P C -0.389 177.022 177.300 0.185 0.000 1.200 110 P CA 0.289 63.504 63.100 0.190 0.000 0.772 110 P CB 0.291 32.106 31.700 0.193 0.000 0.855 111 H N 1.687 120.872 119.070 0.191 0.000 2.730 111 H HA 0.059 4.619 4.556 0.006 0.000 0.376 111 H C 1.450 176.803 175.328 0.042 0.000 1.299 111 H CA 0.689 56.788 56.048 0.085 0.000 1.447 111 H CB 0.324 30.112 29.762 0.044 0.000 1.493 111 H HN 0.516 nan 8.280 nan 0.000 0.619 112 N N -0.022 118.746 118.700 0.114 0.000 2.094 112 N HA -0.189 4.555 4.740 0.006 0.000 0.191 112 N C 1.896 177.358 175.510 -0.080 0.000 1.023 112 N CA 1.068 54.034 53.050 -0.140 0.000 0.857 112 N CB 0.083 38.194 38.487 -0.628 0.000 1.013 112 N HN 0.234 nan 8.380 nan 0.000 0.426 113 V N 1.106 120.955 119.914 -0.108 0.000 2.332 113 V HA -0.160 3.964 4.120 0.006 0.000 0.248 113 V C 2.104 177.892 176.094 -0.511 0.000 1.055 113 V CA 2.366 64.495 62.300 -0.286 0.000 1.038 113 V CB -0.918 30.719 31.823 -0.311 0.000 0.651 113 V HN 0.407 nan 8.190 nan 0.000 0.450 114 G N -0.496 108.088 108.800 -0.359 0.000 2.402 114 G HA2 -0.191 3.772 3.960 0.006 0.000 0.216 114 G HA3 -0.191 3.772 3.960 0.006 0.000 0.216 114 G C 1.541 176.408 174.900 -0.055 0.000 1.162 114 G CA 1.078 46.012 45.100 -0.276 0.000 0.777 114 G HN 0.531 nan 8.290 nan 0.000 0.539 115 L N 0.855 122.105 121.223 0.046 0.000 2.079 115 L HA -0.045 4.299 4.340 0.006 0.000 0.210 115 L C 3.165 180.081 176.870 0.077 0.000 1.081 115 L CA 1.073 55.977 54.840 0.107 0.000 0.752 115 L CB -0.792 41.396 42.059 0.215 0.000 0.896 115 L HN 0.335 nan 8.230 nan 0.000 0.433 116 G N -0.256 108.597 108.800 0.088 0.000 2.442 116 G HA2 -0.262 3.702 3.960 0.006 0.000 0.219 116 G HA3 -0.262 3.702 3.960 0.006 0.000 0.219 116 G C 1.746 176.636 174.900 -0.017 0.000 1.141 116 G CA 0.799 45.922 45.100 0.038 0.000 0.763 116 G HN 0.483 nan 8.290 nan 0.000 0.554 117 A N 0.725 123.504 122.820 -0.068 0.000 2.070 117 A HA -0.013 4.311 4.320 0.006 0.000 0.220 117 A C 2.590 180.220 177.584 0.077 0.000 1.159 117 A CA 2.474 54.528 52.037 0.027 0.000 0.656 117 A CB -0.887 18.174 19.000 0.102 0.000 0.800 117 A HN 0.562 nan 8.150 nan 0.000 0.453 118 T N -3.823 110.763 114.554 0.054 0.000 2.995 118 T HA -0.086 4.268 4.350 0.006 0.000 0.269 118 T C 0.945 175.663 174.700 0.030 0.000 1.091 118 T CA 0.675 62.805 62.100 0.050 0.000 1.128 118 T CB -0.281 68.607 68.868 0.033 0.000 0.891 118 T HN 0.442 nan 8.240 nan 0.000 0.492 119 R N 1.463 121.971 120.500 0.014 0.000 3.502 119 R HA -0.139 4.205 4.340 0.006 0.000 0.266 119 R C -0.743 175.553 176.300 -0.007 0.000 1.077 119 R CA 1.023 57.123 56.100 -0.001 0.000 0.718 119 R CB -2.619 27.691 30.300 0.016 0.000 1.120 119 R HN 0.626 nan 8.270 nan 0.000 0.457 120 D N -0.519 119.871 120.400 -0.016 0.000 2.412 120 D HA 0.304 4.948 4.640 0.006 0.000 0.276 120 D C -1.730 174.554 176.300 -0.028 0.000 1.196 120 D CA -2.297 51.700 54.000 -0.005 0.000 0.905 120 D CB 1.172 41.976 40.800 0.006 0.000 1.081 120 D HN -0.076 nan 8.370 nan 0.000 0.502 121 P HA -0.145 nan 4.420 nan 0.000 0.218 121 P C 1.092 178.392 177.300 0.001 0.000 1.148 121 P CA 0.691 63.757 63.100 -0.058 0.000 0.822 121 P CB 0.098 31.766 31.700 -0.054 0.000 0.784 122 Y N 0.445 120.698 120.300 -0.077 0.000 2.263 122 Y HA -0.092 4.461 4.550 0.005 0.000 0.292 122 Y C 2.074 177.932 175.900 -0.068 0.000 1.130 122 Y CA 0.733 58.792 58.100 -0.068 0.000 1.179 122 Y CB -1.086 37.344 38.460 -0.050 0.000 0.998 122 Y HN -0.218 nan 8.280 nan 0.000 0.532 123 L N -0.476 120.648 121.223 -0.165 0.000 2.013 123 L HA -0.192 4.152 4.340 0.006 0.000 0.212 123 L C 2.213 178.942 176.870 -0.236 0.000 1.073 123 L CA 1.980 56.686 54.840 -0.223 0.000 0.753 123 L CB -1.049 40.952 42.059 -0.098 0.000 0.890 123 L HN 0.092 nan 8.230 nan 0.000 0.432 124 V N -0.166 119.644 119.914 -0.174 0.000 2.407 124 V HA -0.302 3.821 4.120 0.006 0.000 0.248 124 V C 2.646 178.615 176.094 -0.209 0.000 1.055 124 V CA 2.081 64.276 62.300 -0.176 0.000 1.049 124 V CB -0.803 30.923 31.823 -0.162 0.000 0.662 124 V HN 0.540 nan 8.190 nan 0.000 0.455 125 K N 0.189 120.474 120.400 -0.192 0.000 2.032 125 K HA -0.223 4.101 4.320 0.006 0.000 0.209 125 K C 2.416 178.865 176.600 -0.252 0.000 1.048 125 K CA 1.705 57.889 56.287 -0.172 0.000 0.927 125 K CB -0.147 32.316 32.500 -0.063 0.000 0.712 125 K HN 0.351 nan 8.250 nan 0.000 0.441 126 R N 0.284 120.552 120.500 -0.387 0.000 2.096 126 R HA -0.083 4.261 4.340 0.006 0.000 0.235 126 R C 2.381 178.476 176.300 -0.342 0.000 1.127 126 R CA 1.538 57.416 56.100 -0.371 0.000 0.968 126 R CB -0.325 29.699 30.300 -0.460 0.000 0.861 126 R HN 0.292 nan 8.270 nan 0.000 0.440 127 I N -0.037 120.287 120.570 -0.410 0.000 2.226 127 I HA -0.207 3.966 4.170 0.006 0.000 0.245 127 I C 2.559 178.337 176.117 -0.566 0.000 1.100 127 I CA 1.494 62.383 61.300 -0.686 0.000 1.374 127 I CB -0.720 36.842 38.000 -0.730 0.000 1.057 127 I HN 0.317 nan 8.210 nan 0.000 0.413 128 G N 0.497 109.088 108.800 -0.349 0.000 2.469 128 G HA2 -0.256 3.708 3.960 0.006 0.000 0.219 128 G HA3 -0.256 3.708 3.960 0.006 0.000 0.219 128 G C 1.495 176.268 174.900 -0.212 0.000 1.150 128 G CA 0.808 45.766 45.100 -0.237 0.000 0.763 128 G HN 0.439 nan 8.290 nan 0.000 0.561 129 E N 0.562 120.637 120.200 -0.208 0.000 2.051 129 E HA -0.053 4.300 4.350 0.006 0.000 0.192 129 E C 2.951 179.421 176.600 -0.217 0.000 0.991 129 E CA 0.857 57.158 56.400 -0.164 0.000 0.799 129 E CB -0.226 29.395 29.700 -0.132 0.000 0.748 129 E HN 0.419 nan 8.360 nan 0.000 0.449 130 A N 0.947 123.572 122.820 -0.324 0.000 1.898 130 A HA -0.161 4.163 4.320 0.006 0.000 0.216 130 A C 2.386 179.763 177.584 -0.345 0.000 1.181 130 A CA 1.816 53.543 52.037 -0.516 0.000 0.620 130 A CB -0.844 17.867 19.000 -0.482 0.000 0.819 130 A HN 0.173 nan 8.150 nan 0.000 0.442 131 T N 0.427 114.821 114.554 -0.267 0.000 2.708 131 T HA -0.047 4.307 4.350 0.006 0.000 0.266 131 T C 2.240 176.874 174.700 -0.111 0.000 1.037 131 T CA 1.617 63.628 62.100 -0.147 0.000 1.146 131 T CB -0.505 68.252 68.868 -0.186 0.000 0.865 131 T HN 0.605 nan 8.240 nan 0.000 0.435 132 A N 1.317 124.067 122.820 -0.117 0.000 1.917 132 A HA -0.065 4.258 4.320 0.006 0.000 0.219 132 A C 2.315 179.867 177.584 -0.054 0.000 1.182 132 A CA 1.401 53.394 52.037 -0.074 0.000 0.633 132 A CB -0.928 18.035 19.000 -0.063 0.000 0.819 132 A HN 0.489 nan 8.150 nan 0.000 0.448 133 L N -0.808 120.379 121.223 -0.060 0.000 2.046 133 L HA -0.189 4.155 4.340 0.006 0.000 0.208 133 L C 2.619 179.500 176.870 0.018 0.000 1.077 133 L CA 1.613 56.452 54.840 -0.003 0.000 0.747 133 L CB -0.604 41.481 42.059 0.043 0.000 0.896 133 L HN 0.471 nan 8.230 nan 0.000 0.432 134 E N -0.409 119.794 120.200 0.005 0.000 2.152 134 E HA -0.142 4.212 4.350 0.006 0.000 0.192 134 E C 2.294 178.859 176.600 -0.058 0.000 0.983 134 E CA 0.978 57.384 56.400 0.010 0.000 0.818 134 E CB 0.015 29.739 29.700 0.040 0.000 0.758 134 E HN 0.311 nan 8.360 nan 0.000 0.467 135 V N 1.512 121.384 119.914 -0.070 0.000 2.307 135 V HA -0.201 3.923 4.120 0.006 0.000 0.245 135 V C 2.262 178.313 176.094 -0.072 0.000 1.045 135 V CA 1.422 63.664 62.300 -0.098 0.000 1.024 135 V CB -0.380 31.392 31.823 -0.084 0.000 0.651 135 V HN 0.162 nan 8.190 nan 0.000 0.449 136 R N 0.296 120.774 120.500 -0.036 0.000 2.152 136 R HA -0.010 4.334 4.340 0.006 0.000 0.232 136 R C 2.328 178.624 176.300 -0.006 0.000 1.117 136 R CA 1.289 57.381 56.100 -0.012 0.000 0.981 136 R CB -1.071 29.229 30.300 0.000 0.000 0.870 136 R HN 0.539 nan 8.270 nan 0.000 0.451 137 A N 0.741 123.555 122.820 -0.011 0.000 1.978 137 A HA -0.149 4.175 4.320 0.006 0.000 0.220 137 A C 1.952 179.532 177.584 -0.006 0.000 1.170 137 A CA 2.085 54.121 52.037 -0.001 0.000 0.636 137 A CB -0.545 18.455 19.000 -0.000 0.000 0.810 137 A HN 0.458 nan 8.150 nan 0.000 0.448 138 T N -5.032 109.490 114.554 -0.054 0.000 3.122 138 T HA 0.434 4.788 4.350 0.006 0.000 0.250 138 T C 1.280 175.995 174.700 0.025 0.000 1.067 138 T CA 0.970 63.044 62.100 -0.043 0.000 0.966 138 T CB 0.159 68.825 68.868 -0.338 0.000 1.002 138 T HN 1.680 nan 8.240 nan 0.000 0.542 139 G N 1.357 110.164 108.800 0.012 0.000 2.179 139 G HA2 -0.216 3.747 3.960 0.006 0.000 0.260 139 G HA3 -0.216 3.747 3.960 0.006 0.000 0.260 139 G C -0.007 174.897 174.900 0.007 0.000 0.977 139 G CA 0.081 45.196 45.100 0.025 0.000 0.641 139 G HN 0.652 nan 8.290 nan 0.000 0.533 140 I N 0.208 120.768 120.570 -0.016 0.000 2.440 140 I HA 0.383 4.557 4.170 0.006 0.000 0.294 140 I C 1.184 177.331 176.117 0.050 0.000 0.995 140 I CA -0.472 60.841 61.300 0.022 0.000 1.306 140 I CB 1.658 39.656 38.000 -0.002 0.000 1.407 140 I HN 0.061 nan 8.210 nan 0.000 0.501 141 Q N 4.629 124.497 119.800 0.113 0.000 2.217 141 Q HA 0.238 4.582 4.340 0.006 0.000 0.217 141 Q C -0.924 175.164 176.000 0.146 0.000 0.844 141 Q CA 0.142 56.002 55.803 0.095 0.000 0.957 141 Q CB 0.731 29.517 28.738 0.079 0.000 1.127 141 Q HN 0.617 nan 8.270 nan 0.000 0.503 142 Y N -0.021 120.247 120.300 -0.052 0.000 2.358 142 Y HA 0.640 5.194 4.550 0.006 0.000 0.324 142 Y C -1.771 173.966 175.900 -0.271 0.000 1.123 142 Y CA -1.413 56.613 58.100 -0.124 0.000 1.067 142 Y CB 1.065 39.476 38.460 -0.082 0.000 1.230 142 Y HN -0.053 nan 8.280 nan 0.000 0.429 143 A N 5.962 128.681 122.820 -0.167 0.000 2.318 143 A HA 0.552 4.875 4.320 0.006 0.000 0.324 143 A C -1.448 175.899 177.584 -0.394 0.000 1.170 143 A CA -0.637 51.189 52.037 -0.352 0.000 0.810 143 A CB 0.275 19.191 19.000 -0.139 0.000 1.198 143 A HN 0.813 nan 8.150 nan 0.000 0.484 144 F N 2.348 122.123 119.950 -0.292 0.000 2.659 144 F HA 0.453 4.984 4.527 0.007 0.000 0.360 144 F C 1.005 176.684 175.800 -0.202 0.000 1.218 144 F CA 0.677 58.519 58.000 -0.263 0.000 1.317 144 F CB 0.059 38.908 39.000 -0.250 0.000 1.697 144 F HN 0.713 nan 8.300 nan 0.000 0.637 145 A N 2.292 125.113 122.820 0.003 0.000 2.605 145 A HA 0.686 5.010 4.320 0.006 0.000 0.294 145 A C -3.019 174.553 177.584 -0.020 0.000 1.062 145 A CA -1.530 50.479 52.037 -0.047 0.000 0.682 145 A CB 1.730 20.688 19.000 -0.069 0.000 1.278 145 A HN 0.047 nan 8.150 nan 0.000 0.410 146 P HA 0.356 nan 4.420 nan 0.000 0.286 146 P C -0.155 177.082 177.300 -0.104 0.000 1.261 146 P CA -0.441 62.636 63.100 -0.038 0.000 0.821 146 P CB 1.267 33.005 31.700 0.063 0.000 1.013 147 C N 5.046 124.248 119.300 -0.163 0.000 2.619 147 C HA 0.246 4.709 4.460 0.006 0.000 0.389 147 C C 1.672 176.590 174.990 -0.120 0.000 1.314 147 C CA -0.365 58.541 59.018 -0.186 0.000 1.678 147 C CB -2.564 25.059 27.740 -0.195 0.000 2.398 147 C HN 0.517 nan 8.230 nan 0.000 0.582 148 I N 4.160 124.681 120.570 -0.081 0.000 3.856 148 I HA 0.411 4.585 4.170 0.006 0.000 0.333 148 I C 1.004 177.146 176.117 0.041 0.000 1.525 148 I CA -0.363 60.916 61.300 -0.036 0.000 1.173 148 I CB -0.595 37.281 38.000 -0.207 0.000 1.175 148 I HN 0.611 nan 8.210 nan 0.000 0.424 149 A N 1.278 124.175 122.820 0.129 0.000 2.531 149 A HA 0.385 4.708 4.320 0.006 0.000 0.236 149 A C 0.256 177.963 177.584 0.205 0.000 1.062 149 A CA 0.107 52.294 52.037 0.249 0.000 0.760 149 A CB 0.320 19.594 19.000 0.456 0.000 0.995 149 A HN 0.303 nan 8.150 nan 0.000 0.501 150 V N 3.219 123.260 119.914 0.212 0.000 2.277 150 V HA 0.139 4.262 4.120 0.006 0.000 0.269 150 V C 0.364 176.556 176.094 0.162 0.000 1.036 150 V CA -0.672 61.706 62.300 0.130 0.000 0.821 150 V CB 0.386 32.201 31.823 -0.014 0.000 1.052 150 V HN 0.985 nan 8.190 nan 0.000 0.462 151 c N 7.300 126.024 118.600 0.205 0.000 2.624 151 c HA 0.266 4.840 4.570 0.006 0.000 0.397 151 c C 1.667 175.843 174.090 0.144 0.000 1.331 151 c CA -0.332 56.141 56.329 0.240 0.000 1.716 151 c CB -0.620 42.118 42.510 0.380 0.000 2.452 151 c HN 0.837 nan 8.230 nan 0.000 0.586 152 R N 2.964 123.523 120.500 0.098 0.000 2.362 152 R HA 0.262 4.605 4.340 0.006 0.000 0.227 152 R C -0.321 176.021 176.300 0.071 0.000 0.905 152 R CA 0.178 56.325 56.100 0.079 0.000 1.067 152 R CB -0.047 30.301 30.300 0.080 0.000 1.078 152 R HN 0.795 nan 8.270 nan 0.000 0.516 153 D N 0.173 120.622 120.400 0.081 0.000 2.591 153 D HA 0.132 4.775 4.640 0.006 0.000 0.222 153 D C -2.228 174.150 176.300 0.130 0.000 1.360 153 D CA -1.533 52.507 54.000 0.068 0.000 0.967 153 D CB 2.392 43.198 40.800 0.010 0.000 1.456 153 D HN -0.180 nan 8.370 nan 0.000 0.588 154 P HA 0.015 nan 4.420 nan 0.000 0.237 154 P C 0.986 178.354 177.300 0.113 0.000 1.178 154 P CA 0.184 63.375 63.100 0.152 0.000 0.766 154 P CB 0.347 32.152 31.700 0.174 0.000 0.876 155 R N -1.879 118.654 120.500 0.055 0.000 2.285 155 R HA -0.075 4.269 4.340 0.006 0.000 0.213 155 R C 0.776 177.140 176.300 0.107 0.000 1.068 155 R CA 0.164 56.278 56.100 0.023 0.000 1.004 155 R CB -0.393 29.888 30.300 -0.033 0.000 0.873 155 R HN 0.235 nan 8.270 nan 0.000 0.467 156 W N 1.220 122.491 121.300 -0.047 0.000 2.251 156 W HA 0.083 4.746 4.660 0.006 0.000 0.327 156 W C 1.203 177.700 176.519 -0.037 0.000 1.361 156 W CA -0.689 56.631 57.345 -0.041 0.000 1.234 156 W CB 0.459 29.909 29.460 -0.017 0.000 1.212 156 W HN 0.060 nan 8.180 nan 0.000 0.557 157 G N 4.828 113.524 108.800 -0.173 0.000 2.535 157 G HA2 -0.209 3.754 3.960 0.006 0.000 0.218 157 G HA3 -0.209 3.754 3.960 0.006 0.000 0.218 157 G C 1.152 175.782 174.900 -0.450 0.000 1.122 157 G CA 0.321 45.253 45.100 -0.280 0.000 0.769 157 G HN 0.562 nan 8.290 nan 0.000 0.549 158 R N -0.901 118.858 120.500 -1.235 0.000 2.509 158 R HA 0.210 4.553 4.340 0.006 0.000 0.300 158 R C 1.531 177.149 176.300 -1.137 0.000 0.985 158 R CA -0.291 54.928 56.100 -1.468 0.000 1.092 158 R CB -0.432 28.738 30.300 -1.883 0.000 1.237 158 R HN 0.258 nan 8.270 nan 0.000 0.546 159 c N 1.443 119.752 118.600 -0.485 0.000 2.413 159 c HA -0.189 4.385 4.570 0.006 0.000 0.277 159 c C 2.500 176.525 174.090 -0.109 0.000 1.265 159 c CA 1.105 57.407 56.329 -0.044 0.000 1.752 159 c CB -0.795 41.809 42.510 0.156 0.000 1.998 159 c HN 0.693 nan 8.230 nan 0.000 0.489 160 Y N 0.479 120.699 120.300 -0.134 0.000 2.497 160 Y HA 0.048 4.601 4.550 0.006 0.000 0.292 160 Y C 1.937 177.688 175.900 -0.249 0.000 1.137 160 Y CA 1.388 59.384 58.100 -0.173 0.000 1.285 160 Y CB -0.999 37.330 38.460 -0.219 0.000 0.991 160 Y HN 0.353 nan 8.280 nan 0.000 0.556 161 E N 0.668 120.497 120.200 -0.619 0.000 2.502 161 E HA 0.009 4.362 4.350 0.006 0.000 0.194 161 E C 0.249 176.633 176.600 -0.361 0.000 1.062 161 E CA 0.324 56.438 56.400 -0.478 0.000 0.867 161 E CB 0.213 29.575 29.700 -0.564 0.000 0.888 161 E HN 0.291 nan 8.360 nan 0.000 0.510 162 S N -0.586 114.966 115.700 -0.246 0.000 2.462 162 S HA 0.165 4.638 4.470 0.006 0.000 0.294 162 S C 0.541 175.038 174.600 -0.172 0.000 1.144 162 S CA -0.639 57.474 58.200 -0.144 0.000 1.088 162 S CB 0.511 63.761 63.200 0.082 0.000 1.009 162 S HN 0.097 nan 8.310 nan 0.000 0.484 163 Y N 3.249 123.532 120.300 -0.029 0.000 2.333 163 Y HA 0.109 4.663 4.550 0.006 0.000 0.290 163 Y C 1.565 177.420 175.900 -0.075 0.000 1.144 163 Y CA 0.888 58.950 58.100 -0.062 0.000 1.228 163 Y CB 0.207 38.634 38.460 -0.056 0.000 0.985 163 Y HN 0.617 nan 8.280 nan 0.000 0.542 164 S N -1.513 114.250 115.700 0.106 0.000 2.597 164 S HA 0.087 4.560 4.470 0.006 0.000 0.274 164 S C 0.183 174.822 174.600 0.064 0.000 1.132 164 S CA -0.472 57.763 58.200 0.060 0.000 0.835 164 S CB 0.648 63.883 63.200 0.059 0.000 1.092 164 S HN 0.394 nan 8.310 nan 0.000 0.457 165 E N 1.029 121.265 120.200 0.059 0.000 2.347 165 E HA -0.029 4.324 4.350 0.006 0.000 0.196 165 E C -0.063 176.547 176.600 0.017 0.000 1.008 165 E CA 0.415 56.848 56.400 0.054 0.000 0.852 165 E CB -0.023 29.724 29.700 0.078 0.000 0.783 165 E HN 0.409 nan 8.360 nan 0.000 0.505 166 D N 1.209 121.620 120.400 0.019 0.000 2.359 166 D HA 0.037 4.681 4.640 0.006 0.000 0.230 166 D C 0.992 177.286 176.300 -0.010 0.000 1.118 166 D CA -0.513 53.484 54.000 -0.004 0.000 0.844 166 D CB 1.097 41.901 40.800 0.006 0.000 1.059 166 D HN 0.137 nan 8.370 nan 0.000 0.493 167 R N 3.857 124.335 120.500 -0.037 0.000 2.139 167 R HA -0.156 4.188 4.340 0.006 0.000 0.243 167 R C 1.613 177.897 176.300 -0.026 0.000 1.145 167 R CA 1.313 57.391 56.100 -0.036 0.000 0.976 167 R CB -0.425 29.837 30.300 -0.065 0.000 0.866 167 R HN 0.305 nan 8.270 nan 0.000 0.449 168 R N 0.442 120.926 120.500 -0.026 0.000 2.096 168 R HA -0.001 4.342 4.340 0.006 0.000 0.235 168 R C 2.316 178.595 176.300 -0.035 0.000 1.127 168 R CA 1.887 57.971 56.100 -0.027 0.000 0.968 168 R CB -0.520 29.767 30.300 -0.021 0.000 0.861 168 R HN 0.301 nan 8.270 nan 0.000 0.440 169 I N 0.106 120.660 120.570 -0.026 0.000 2.252 169 I HA -0.232 3.942 4.170 0.006 0.000 0.245 169 I C 2.227 178.299 176.117 -0.074 0.000 1.102 169 I CA 0.986 62.262 61.300 -0.040 0.000 1.385 169 I CB -0.249 37.746 38.000 -0.007 0.000 1.064 169 I HN -0.045 nan 8.210 nan 0.000 0.414 170 V N 0.546 120.451 119.914 -0.015 0.000 2.287 170 V HA -0.336 3.787 4.120 0.006 0.000 0.248 170 V C 2.458 178.501 176.094 -0.086 0.000 1.053 170 V CA 1.905 64.214 62.300 0.014 0.000 1.027 170 V CB -0.827 31.050 31.823 0.090 0.000 0.646 170 V HN 0.475 nan 8.190 nan 0.000 0.447 171 Q N 0.376 120.135 119.800 -0.068 0.000 2.061 171 Q HA -0.234 4.110 4.340 0.006 0.000 0.204 171 Q C 2.538 178.471 176.000 -0.111 0.000 0.984 171 Q CA 2.303 58.059 55.803 -0.077 0.000 0.846 171 Q CB -0.380 28.329 28.738 -0.048 0.000 0.902 171 Q HN 0.826 nan 8.270 nan 0.000 0.421 172 S N 0.134 115.762 115.700 -0.120 0.000 2.382 172 S HA -0.122 4.351 4.470 0.006 0.000 0.228 172 S C 1.794 176.270 174.600 -0.207 0.000 1.027 172 S CA 1.007 59.127 58.200 -0.132 0.000 0.991 172 S CB -0.099 63.037 63.200 -0.107 0.000 0.823 172 S HN 0.223 nan 8.310 nan 0.000 0.469 173 M N 2.700 122.088 119.600 -0.353 0.000 2.618 173 M HA 0.079 4.563 4.480 0.006 0.000 0.240 173 M C 1.957 177.997 176.300 -0.434 0.000 1.123 173 M CA 1.156 56.101 55.300 -0.592 0.000 1.060 173 M CB -1.815 29.921 32.600 -1.440 0.000 1.535 173 M HN 0.701 nan 8.290 nan 0.000 0.507 174 T N -2.252 112.152 114.554 -0.250 0.000 3.077 174 T HA -0.078 4.275 4.350 0.006 0.000 0.269 174 T C 1.368 175.999 174.700 -0.116 0.000 1.146 174 T CA 0.720 62.734 62.100 -0.143 0.000 1.091 174 T CB -0.232 68.572 68.868 -0.107 0.000 0.892 174 T HN 0.250 nan 8.240 nan 0.000 0.533 175 E N 0.794 120.915 120.200 -0.132 0.000 2.331 175 E HA -0.063 4.291 4.350 0.006 0.000 0.199 175 E C 1.873 178.417 176.600 -0.093 0.000 1.008 175 E CA 0.390 56.733 56.400 -0.095 0.000 0.843 175 E CB -0.432 29.221 29.700 -0.079 0.000 0.761 175 E HN 0.491 nan 8.360 nan 0.000 0.507 176 L N 0.734 121.893 121.223 -0.106 0.000 2.081 176 L HA -0.195 4.149 4.340 0.006 0.000 0.212 176 L C 2.086 178.918 176.870 -0.063 0.000 1.080 176 L CA 1.301 56.092 54.840 -0.082 0.000 0.754 176 L CB -0.259 41.783 42.059 -0.029 0.000 0.893 176 L HN 0.068 nan 8.230 nan 0.000 0.433 177 I N 0.264 120.805 120.570 -0.049 0.000 2.099 177 I HA -0.205 3.969 4.170 0.006 0.000 0.239 177 I C -0.397 175.708 176.117 -0.021 0.000 1.066 177 I CA 1.553 62.836 61.300 -0.028 0.000 1.324 177 I CB -1.716 36.269 38.000 -0.025 0.000 1.037 177 I HN 0.269 nan 8.210 nan 0.000 0.401 178 P HA -0.096 nan 4.420 nan 0.000 0.226 178 P C 1.507 178.797 177.300 -0.017 0.000 1.153 178 P CA 1.617 64.701 63.100 -0.027 0.000 0.777 178 P CB -0.213 31.450 31.700 -0.062 0.000 0.794 179 G N 0.896 109.671 108.800 -0.043 0.000 2.414 179 G HA2 -0.194 3.770 3.960 0.006 0.000 0.215 179 G HA3 -0.194 3.770 3.960 0.006 0.000 0.215 179 G C 1.635 176.500 174.900 -0.059 0.000 1.188 179 G CA 0.453 45.514 45.100 -0.066 0.000 0.783 179 G HN 0.218 nan 8.290 nan 0.000 0.537 180 L N -0.331 120.859 121.223 -0.055 0.000 2.056 180 L HA -0.071 4.272 4.340 0.006 0.000 0.207 180 L C 3.038 179.900 176.870 -0.013 0.000 1.078 180 L CA 1.280 56.093 54.840 -0.044 0.000 0.749 180 L CB -0.232 41.805 42.059 -0.035 0.000 0.901 180 L HN 0.279 nan 8.230 nan 0.000 0.433 181 Q N -0.870 118.941 119.800 0.018 0.000 2.392 181 Q HA 0.254 4.597 4.340 0.006 0.000 0.219 181 Q C 0.586 176.654 176.000 0.114 0.000 0.895 181 Q CA 0.428 56.260 55.803 0.049 0.000 0.929 181 Q CB 1.057 29.855 28.738 0.100 0.000 1.077 181 Q HN 0.471 nan 8.270 nan 0.000 0.532 182 G N 1.615 110.489 108.800 0.124 0.000 2.675 182 G HA2 -0.137 3.826 3.960 0.006 0.000 0.686 182 G HA3 -0.137 3.826 3.960 0.006 0.000 0.686 182 G C -1.400 173.597 174.900 0.162 0.000 1.215 182 G CA -0.888 44.325 45.100 0.190 0.000 0.777 182 G HN 0.047 nan 8.290 nan 0.000 0.638 183 D N 0.187 120.598 120.400 0.019 0.000 2.389 183 D HA 0.366 5.009 4.640 0.006 0.000 0.247 183 D C 1.417 177.397 176.300 -0.533 0.000 1.128 183 D CA 0.585 54.478 54.000 -0.179 0.000 0.884 183 D CB 1.603 42.332 40.800 -0.119 0.000 1.194 183 D HN 1.058 nan 8.370 nan 0.000 0.441 184 V N 0.892 120.312 119.914 -0.822 0.000 2.924 184 V HA 0.337 4.460 4.120 0.006 0.000 0.305 184 V C -2.177 173.510 176.094 -0.678 0.000 1.073 184 V CA -1.355 60.135 62.300 -1.351 0.000 1.098 184 V CB 0.031 30.894 31.823 -1.600 0.000 1.000 184 V HN 0.354 nan 8.190 nan 0.000 0.484 185 P HA 0.240 nan 4.420 nan 0.000 0.271 185 P C 0.192 177.461 177.300 -0.051 0.000 1.238 185 P CA -0.365 62.650 63.100 -0.141 0.000 0.794 185 P CB 0.372 32.078 31.700 0.009 0.000 0.959 186 K N 0.692 121.082 120.400 -0.017 0.000 2.057 186 K HA -0.138 4.185 4.320 0.006 0.000 0.207 186 K C 1.326 177.947 176.600 0.035 0.000 1.049 186 K CA 1.820 58.108 56.287 0.001 0.000 0.931 186 K CB -0.767 31.732 32.500 -0.002 0.000 0.714 186 K HN 0.583 nan 8.250 nan 0.000 0.440 187 D N -0.143 120.288 120.400 0.051 0.000 2.371 187 D HA -0.146 4.497 4.640 0.006 0.000 0.221 187 D C 0.100 176.438 176.300 0.063 0.000 0.986 187 D CA -0.012 54.016 54.000 0.047 0.000 0.899 187 D CB -0.283 40.540 40.800 0.038 0.000 0.902 187 D HN 0.054 nan 8.370 nan 0.000 0.530 188 F N 2.800 122.714 119.950 -0.061 0.000 2.608 188 F HA 0.025 4.555 4.527 0.005 0.000 0.380 188 F C 0.497 176.275 175.800 -0.038 0.000 1.083 188 F CA 0.195 58.158 58.000 -0.062 0.000 1.266 188 F CB 0.623 39.553 39.000 -0.118 0.000 1.076 188 F HN -0.323 nan 8.300 nan 0.000 0.574 189 T N 5.586 119.721 114.554 -0.698 0.000 2.749 189 T HA 0.094 4.448 4.350 0.006 0.000 0.295 189 T C 0.062 174.466 174.700 -0.495 0.000 0.936 189 T CA -0.432 61.390 62.100 -0.463 0.000 1.060 189 T CB 0.827 69.478 68.868 -0.363 0.000 0.904 189 T HN 0.692 nan 8.240 nan 0.000 0.500 190 S N 2.654 118.278 115.700 -0.127 0.000 2.563 190 S HA 0.335 4.808 4.470 0.006 0.000 0.294 190 S C 1.616 176.218 174.600 0.004 0.000 1.279 190 S CA 1.060 59.278 58.200 0.031 0.000 1.069 190 S CB -0.437 62.793 63.200 0.050 0.000 0.828 190 S HN 1.197 nan 8.310 nan 0.000 0.497 191 G N 4.226 113.104 108.800 0.130 0.000 2.234 191 G HA2 -0.198 3.765 3.960 0.006 0.000 0.235 191 G HA3 -0.198 3.765 3.960 0.006 0.000 0.235 191 G C 0.235 175.198 174.900 0.106 0.000 0.997 191 G CA 0.151 45.352 45.100 0.168 0.000 0.623 191 G HN 0.628 nan 8.290 nan 0.000 0.514 192 M N 2.444 122.026 119.600 -0.030 0.000 2.243 192 M HA 0.313 4.797 4.480 0.006 0.000 0.341 192 M C -1.865 174.624 176.300 0.314 0.000 1.130 192 M CA -2.099 53.180 55.300 -0.034 0.000 1.162 192 M CB 0.183 32.569 32.600 -0.355 0.000 1.497 192 M HN 0.125 nan 8.290 nan 0.000 0.456 193 P HA 0.364 nan 4.420 nan 0.000 0.277 193 P C -1.339 176.211 177.300 0.416 0.000 1.240 193 P CA -0.190 63.068 63.100 0.262 0.000 0.798 193 P CB 0.891 32.639 31.700 0.080 0.000 0.979 194 F N 1.644 121.678 119.950 0.140 0.000 2.604 194 F HA 0.469 4.998 4.527 0.005 0.000 0.316 194 F C -1.832 173.971 175.800 0.005 0.000 1.136 194 F CA -0.568 57.471 58.000 0.064 0.000 0.989 194 F CB 1.616 40.542 39.000 -0.122 0.000 1.258 194 F HN 0.039 nan 8.300 nan 0.000 0.451 195 V N 5.844 125.272 119.914 -0.811 0.000 2.733 195 V HA 0.504 4.628 4.120 0.006 0.000 0.306 195 V C 0.465 176.001 176.094 -0.931 0.000 1.084 195 V CA -0.179 61.735 62.300 -0.642 0.000 0.905 195 V CB 1.328 32.995 31.823 -0.259 0.000 1.010 195 V HN 0.994 nan 8.190 nan 0.000 0.424 196 A N 2.918 125.357 122.820 -0.635 0.000 2.015 196 A HA 0.533 4.857 4.320 0.006 0.000 0.219 196 A C 1.214 178.692 177.584 -0.176 0.000 1.163 196 A CA 1.719 53.551 52.037 -0.342 0.000 0.646 196 A CB -0.272 18.748 19.000 0.033 0.000 0.806 196 A HN 1.884 nan 8.150 nan 0.000 0.448 197 G N -1.275 107.440 108.800 -0.142 0.000 2.356 197 G HA2 0.192 4.156 3.960 0.006 0.000 0.266 197 G HA3 0.192 4.156 3.960 0.006 0.000 0.266 197 G C 0.331 175.209 174.900 -0.038 0.000 1.312 197 G CA 0.048 45.109 45.100 -0.065 0.000 0.922 197 G HN 0.427 nan 8.290 nan 0.000 0.480 198 K N -0.437 119.957 120.400 -0.010 0.000 2.442 198 K HA 0.056 4.379 4.320 0.006 0.000 0.198 198 K C 1.097 177.699 176.600 0.004 0.000 1.042 198 K CA 1.749 58.037 56.287 0.002 0.000 0.958 198 K CB -0.134 32.377 32.500 0.017 0.000 0.766 198 K HN 0.316 nan 8.250 nan 0.000 0.474 199 N N 0.045 118.746 118.700 0.001 0.000 2.230 199 N HA 0.061 4.804 4.740 0.006 0.000 0.202 199 N C -0.605 174.902 175.510 -0.005 0.000 1.119 199 N CA -0.139 52.914 53.050 0.005 0.000 0.851 199 N CB 0.456 38.952 38.487 0.014 0.000 0.990 199 N HN 0.023 nan 8.380 nan 0.000 0.497 200 K N 0.634 121.024 120.400 -0.016 0.000 2.346 200 K HA 0.542 4.866 4.320 0.006 0.000 0.238 200 K C -0.559 176.027 176.600 -0.024 0.000 1.039 200 K CA -0.817 55.455 56.287 -0.024 0.000 0.861 200 K CB 2.062 34.544 32.500 -0.030 0.000 1.278 200 K HN -0.160 nan 8.250 nan 0.000 0.460 201 V N -2.365 117.538 119.914 -0.018 0.000 2.914 201 V HA 0.798 4.921 4.120 0.006 0.000 0.314 201 V C -0.179 175.922 176.094 0.011 0.000 1.084 201 V CA -1.307 60.995 62.300 0.004 0.000 0.963 201 V CB 1.545 33.375 31.823 0.012 0.000 1.025 201 V HN 0.791 nan 8.190 nan 0.000 0.432 202 A N 2.158 124.997 122.820 0.031 0.000 2.477 202 A HA 0.788 5.112 4.320 0.006 0.000 0.246 202 A C 0.566 178.243 177.584 0.156 0.000 1.078 202 A CA 0.418 52.468 52.037 0.021 0.000 0.770 202 A CB -0.011 18.894 19.000 -0.158 0.000 1.011 202 A HN 2.183 nan 8.150 nan 0.000 0.494 203 A N 0.706 123.590 122.820 0.107 0.000 2.284 203 A HA 0.693 5.017 4.320 0.006 0.000 0.317 203 A C -0.256 177.437 177.584 0.181 0.000 1.120 203 A CA -0.120 51.991 52.037 0.123 0.000 0.900 203 A CB 0.913 19.944 19.000 0.052 0.000 1.319 203 A HN 1.901 nan 8.150 nan 0.000 0.494 204 C N 0.418 119.801 119.300 0.140 0.000 2.789 204 C HA 0.659 5.123 4.460 0.006 0.000 0.367 204 C C 0.171 175.187 174.990 0.043 0.000 1.062 204 C CA -0.082 59.026 59.018 0.150 0.000 1.297 204 C CB -0.503 27.407 27.740 0.284 0.000 1.794 204 C HN 1.320 nan 8.230 nan 0.000 0.474 205 A N 6.444 129.267 122.820 0.005 0.000 2.404 205 A HA 0.648 4.972 4.320 0.006 0.000 0.273 205 A C -0.057 177.563 177.584 0.060 0.000 1.144 205 A CA 0.114 52.126 52.037 -0.041 0.000 0.806 205 A CB 0.171 19.113 19.000 -0.098 0.000 1.080 205 A HN 0.962 nan 8.150 nan 0.000 0.509 206 K N 2.470 122.844 120.400 -0.043 0.000 2.512 206 K HA 0.623 4.947 4.320 0.006 0.000 0.263 206 K C -1.676 174.856 176.600 -0.114 0.000 0.966 206 K CA -0.925 55.301 56.287 -0.103 0.000 0.851 206 K CB 1.199 33.411 32.500 -0.481 0.000 1.395 206 K HN 0.672 nan 8.250 nan 0.000 0.440 207 H N 0.804 120.036 119.070 0.270 0.000 2.481 207 H HA 0.304 4.864 4.556 0.006 0.000 0.333 207 H C -1.417 174.058 175.328 0.244 0.000 1.066 207 H CA -0.570 55.616 56.048 0.230 0.000 1.209 207 H CB 0.943 30.798 29.762 0.156 0.000 1.445 207 H HN 0.484 nan 8.280 nan 0.000 0.488 208 F N 4.353 124.347 119.950 0.075 0.000 2.472 208 F HA 0.375 4.906 4.527 0.006 0.000 0.364 208 F C -0.440 175.258 175.800 -0.170 0.000 1.090 208 F CA -0.103 57.743 58.000 -0.257 0.000 1.188 208 F CB 0.171 38.893 39.000 -0.464 0.000 1.105 208 F HN 0.357 nan 8.300 nan 0.000 0.536 209 V N 5.892 125.422 119.914 -0.640 0.000 3.049 209 V HA 0.699 4.822 4.120 0.006 0.000 0.309 209 V C 0.076 175.905 176.094 -0.442 0.000 1.148 209 V CA 0.033 61.913 62.300 -0.701 0.000 0.990 209 V CB 1.646 32.626 31.823 -1.404 0.000 1.039 209 V HN 1.152 nan 8.190 nan 0.000 0.430 210 G N 4.174 112.782 108.800 -0.320 0.000 2.136 210 G HA2 -0.219 3.745 3.960 0.006 0.000 0.242 210 G HA3 -0.219 3.745 3.960 0.006 0.000 0.242 210 G C 0.352 174.994 174.900 -0.429 0.000 0.989 210 G CA 0.854 45.607 45.100 -0.578 0.000 0.682 210 G HN 1.284 nan 8.290 nan 0.000 0.522 211 D N 0.349 120.641 120.400 -0.181 0.000 2.190 211 D HA -0.043 4.600 4.640 0.006 0.000 0.200 211 D C 2.042 177.959 176.300 -0.638 0.000 0.992 211 D CA 1.695 55.597 54.000 -0.164 0.000 0.854 211 D CB -1.070 39.859 40.800 0.215 0.000 0.936 211 D HN 0.858 nan 8.370 nan 0.000 0.462 212 G N -0.528 107.985 108.800 -0.478 0.000 3.088 212 G HA2 0.269 4.233 3.960 0.006 0.000 0.212 212 G HA3 0.269 4.233 3.960 0.006 0.000 0.212 212 G C 1.160 175.840 174.900 -0.366 0.000 1.173 212 G CA 0.174 44.911 45.100 -0.605 0.000 0.779 212 G HN 0.479 nan 8.290 nan 0.000 0.540 213 G N 0.517 109.050 108.800 -0.445 0.000 3.575 213 G HA2 0.318 4.282 3.960 0.006 0.000 0.273 213 G HA3 0.318 4.282 3.960 0.006 0.000 0.273 213 G C 0.707 175.447 174.900 -0.266 0.000 1.053 213 G CA 0.373 45.302 45.100 -0.284 0.000 0.803 213 G HN 0.418 nan 8.290 nan 0.000 0.528 214 T N -1.295 113.040 114.554 -0.365 0.000 2.898 214 T HA 0.401 4.755 4.350 0.006 0.000 0.301 214 T C 0.468 175.067 174.700 -0.169 0.000 1.049 214 T CA -0.563 61.383 62.100 -0.257 0.000 1.095 214 T CB 1.967 70.659 68.868 -0.294 0.000 0.976 214 T HN -0.037 nan 8.240 nan 0.000 0.539 215 V N 3.773 123.623 119.914 -0.107 0.000 2.584 215 V HA 0.023 4.146 4.120 0.006 0.000 0.303 215 V C 0.684 176.737 176.094 -0.070 0.000 1.035 215 V CA 0.615 62.872 62.300 -0.072 0.000 1.172 215 V CB -0.743 31.048 31.823 -0.053 0.000 0.896 215 V HN 1.121 nan 8.190 nan 0.000 0.486 216 D N 3.679 124.043 120.400 -0.060 0.000 2.983 216 D HA -0.221 4.423 4.640 0.006 0.000 0.225 216 D C 1.310 177.585 176.300 -0.041 0.000 1.174 216 D CA 1.644 55.613 54.000 -0.052 0.000 0.831 216 D CB -1.317 39.455 40.800 -0.047 0.000 1.104 216 D HN 1.442 nan 8.370 nan 0.000 0.421 217 G N -0.263 108.497 108.800 -0.066 0.000 2.203 217 G HA2 -0.352 3.611 3.960 0.006 0.000 0.263 217 G HA3 -0.352 3.611 3.960 0.006 0.000 0.263 217 G C 0.421 175.339 174.900 0.031 0.000 1.012 217 G CA 0.311 45.385 45.100 -0.043 0.000 0.749 217 G HN 0.588 nan 8.290 nan 0.000 0.512 218 I N 0.788 121.346 120.570 -0.021 0.000 2.517 218 I HA 0.049 4.223 4.170 0.006 0.000 0.285 218 I C 0.928 177.082 176.117 0.062 0.000 1.106 218 I CA -0.573 60.745 61.300 0.029 0.000 1.402 218 I CB 0.393 38.388 38.000 -0.007 0.000 1.399 218 I HN 0.184 nan 8.210 nan 0.000 0.535 219 N N 5.924 124.752 118.700 0.212 0.000 2.458 219 N HA -0.055 4.688 4.740 0.006 0.000 0.258 219 N C 0.332 175.934 175.510 0.152 0.000 1.219 219 N CA 0.609 53.859 53.050 0.333 0.000 0.902 219 N CB 0.265 38.940 38.487 0.313 0.000 1.076 219 N HN 0.638 nan 8.380 nan 0.000 0.455 220 E N -1.430 118.871 120.200 0.169 0.000 3.801 220 E HA -0.347 4.007 4.350 0.006 0.000 0.319 220 E C -0.182 176.454 176.600 0.060 0.000 0.784 220 E CA 0.459 56.932 56.400 0.122 0.000 1.183 220 E CB -1.542 28.168 29.700 0.016 0.000 1.601 220 E HN 0.710 nan 8.360 nan 0.000 0.441 221 N N 0.680 119.387 118.700 0.011 0.000 2.465 221 N HA 0.122 4.866 4.740 0.006 0.000 0.294 221 N C -0.110 175.386 175.510 -0.023 0.000 1.333 221 N CA -0.322 52.721 53.050 -0.012 0.000 0.932 221 N CB 0.490 38.959 38.487 -0.031 0.000 1.092 221 N HN -0.040 nan 8.380 nan 0.000 0.519 222 N N -0.337 118.342 118.700 -0.035 0.000 2.426 222 N HA 0.196 4.940 4.740 0.006 0.000 0.275 222 N C -1.608 173.872 175.510 -0.050 0.000 1.019 222 N CA 0.035 53.067 53.050 -0.029 0.000 0.941 222 N CB 0.906 39.376 38.487 -0.029 0.000 1.123 222 N HN 0.216 nan 8.380 nan 0.000 0.486 223 T N 4.563 119.100 114.554 -0.028 0.000 2.762 223 T HA 0.399 4.753 4.350 0.006 0.000 0.303 223 T C 0.401 175.137 174.700 0.061 0.000 0.977 223 T CA -0.286 61.796 62.100 -0.029 0.000 0.961 223 T CB -0.215 68.590 68.868 -0.105 0.000 0.944 223 T HN 0.349 nan 8.240 nan 0.000 0.481 224 I N 5.361 125.940 120.570 0.015 0.000 2.307 224 I HA 0.546 4.719 4.170 0.006 0.000 0.287 224 I C -0.224 175.925 176.117 0.054 0.000 1.054 224 I CA -0.339 60.961 61.300 0.000 0.000 1.218 224 I CB 0.408 38.389 38.000 -0.032 0.000 1.398 224 I HN 0.508 nan 8.210 nan 0.000 0.475 225 I N 6.346 126.993 120.570 0.128 0.000 2.842 225 I HA 0.218 4.392 4.170 0.006 0.000 0.297 225 I C -0.665 175.615 176.117 0.273 0.000 1.380 225 I CA -0.538 60.876 61.300 0.189 0.000 1.018 225 I CB 2.126 40.257 38.000 0.218 0.000 1.311 225 I HN 0.671 nan 8.210 nan 0.000 0.439 226 N N 5.822 124.629 118.700 0.177 0.000 2.326 226 N HA 0.129 4.873 4.740 0.006 0.000 0.239 226 N C 0.680 176.383 175.510 0.320 0.000 1.301 226 N CA -0.682 52.481 53.050 0.189 0.000 0.909 226 N CB 0.778 39.319 38.487 0.090 0.000 1.156 226 N HN 0.669 nan 8.380 nan 0.000 0.462 227 R N 0.288 120.997 120.500 0.347 0.000 2.091 227 R HA -0.234 4.110 4.340 0.006 0.000 0.238 227 R C 1.963 178.306 176.300 0.072 0.000 1.136 227 R CA 1.827 58.101 56.100 0.289 0.000 0.959 227 R CB -0.281 30.172 30.300 0.255 0.000 0.856 227 R HN 0.845 nan 8.270 nan 0.000 0.437 228 E N -0.899 119.342 120.200 0.069 0.000 2.070 228 E HA -0.183 4.171 4.350 0.006 0.000 0.197 228 E C 1.775 178.382 176.600 0.013 0.000 1.004 228 E CA 1.611 58.028 56.400 0.027 0.000 0.805 228 E CB -0.324 29.395 29.700 0.031 0.000 0.744 228 E HN 0.532 nan 8.360 nan 0.000 0.451 229 G N 1.732 110.558 108.800 0.043 0.000 2.402 229 G HA2 -0.227 3.737 3.960 0.006 0.000 0.216 229 G HA3 -0.227 3.737 3.960 0.006 0.000 0.216 229 G C 1.562 176.478 174.900 0.027 0.000 1.162 229 G CA 0.478 45.601 45.100 0.039 0.000 0.777 229 G HN 0.285 nan 8.290 nan 0.000 0.539 230 L N 0.161 121.388 121.223 0.008 0.000 2.012 230 L HA -0.068 4.276 4.340 0.006 0.000 0.210 230 L C 2.731 179.501 176.870 -0.167 0.000 1.073 230 L CA 1.705 56.460 54.840 -0.141 0.000 0.748 230 L CB -0.343 41.397 42.059 -0.533 0.000 0.891 230 L HN 0.192 nan 8.230 nan 0.000 0.431 231 M N -1.033 118.466 119.600 -0.169 0.000 2.319 231 M HA -0.142 4.342 4.480 0.006 0.000 0.265 231 M C 1.781 178.044 176.300 -0.062 0.000 1.068 231 M CA 1.255 56.471 55.300 -0.141 0.000 1.118 231 M CB -1.555 30.966 32.600 -0.132 0.000 1.395 231 M HN 0.346 nan 8.290 nan 0.000 0.435 232 N N 0.212 118.880 118.700 -0.054 0.000 2.395 232 N HA 0.102 4.846 4.740 0.006 0.000 0.175 232 N C 1.386 176.849 175.510 -0.079 0.000 1.029 232 N CA 0.622 53.645 53.050 -0.046 0.000 0.897 232 N CB 0.487 38.953 38.487 -0.034 0.000 0.991 232 N HN 0.277 nan 8.380 nan 0.000 0.441 233 I N -1.898 118.592 120.570 -0.133 0.000 3.366 233 I HA 0.067 4.240 4.170 0.006 0.000 0.267 233 I C 1.108 177.041 176.117 -0.308 0.000 1.149 233 I CA 0.268 61.402 61.300 -0.277 0.000 1.436 233 I CB 0.002 37.721 38.000 -0.469 0.000 1.379 233 I HN 0.097 nan 8.210 nan 0.000 0.460 234 H N -0.639 118.395 119.070 -0.060 0.000 2.547 234 H HA 0.104 4.663 4.556 0.006 0.000 0.272 234 H C 1.756 177.099 175.328 0.025 0.000 0.971 234 H CA 0.778 56.796 56.048 -0.050 0.000 1.245 234 H CB 0.510 30.186 29.762 -0.143 0.000 1.440 234 H HN 0.132 nan 8.280 nan 0.000 0.540 235 M N 0.385 120.033 119.600 0.080 0.000 2.447 235 M HA 0.145 4.628 4.480 0.006 0.000 0.266 235 M C -1.259 175.176 176.300 0.226 0.000 1.120 235 M CA 0.194 55.585 55.300 0.152 0.000 1.166 235 M CB -0.112 32.480 32.600 -0.014 0.000 1.349 235 M HN -0.053 nan 8.290 nan 0.000 0.463 236 P HA -0.158 nan 4.420 nan 0.000 0.216 236 P C 1.066 178.416 177.300 0.082 0.000 1.154 236 P CA 2.297 65.450 63.100 0.088 0.000 0.865 236 P CB -0.291 31.427 31.700 0.030 0.000 0.789 237 A N -2.146 120.698 122.820 0.041 0.000 2.070 237 A HA -0.203 4.120 4.320 0.006 0.000 0.220 237 A C 1.893 179.414 177.584 -0.105 0.000 1.159 237 A CA 1.246 53.250 52.037 -0.056 0.000 0.656 237 A CB -1.750 17.180 19.000 -0.117 0.000 0.800 237 A HN 0.174 nan 8.150 nan 0.000 0.453 238 Y N -0.096 120.245 120.300 0.069 0.000 2.293 238 Y HA -0.176 4.378 4.550 0.006 0.000 0.291 238 Y C 2.416 178.343 175.900 0.045 0.000 1.137 238 Y CA 1.802 59.943 58.100 0.069 0.000 1.202 238 Y CB -0.125 38.432 38.460 0.162 0.000 0.990 238 Y HN 0.318 nan 8.280 nan 0.000 0.537 239 K N 0.752 121.268 120.400 0.193 0.000 2.057 239 K HA -0.128 4.196 4.320 0.006 0.000 0.206 239 K C 1.552 178.195 176.600 0.071 0.000 1.050 239 K CA 1.680 58.039 56.287 0.121 0.000 0.935 239 K CB -0.389 32.179 32.500 0.113 0.000 0.715 239 K HN 0.236 nan 8.250 nan 0.000 0.439 240 N N 0.495 119.218 118.700 0.039 0.000 2.104 240 N HA -0.192 4.552 4.740 0.006 0.000 0.190 240 N C 1.713 177.226 175.510 0.005 0.000 1.024 240 N CA 1.451 54.506 53.050 0.008 0.000 0.853 240 N CB -0.258 38.214 38.487 -0.025 0.000 1.008 240 N HN 0.348 nan 8.380 nan 0.000 0.424 241 A N 1.946 124.760 122.820 -0.009 0.000 1.902 241 A HA -0.124 4.200 4.320 0.006 0.000 0.217 241 A C 2.306 179.926 177.584 0.061 0.000 1.181 241 A CA 1.264 53.295 52.037 -0.010 0.000 0.623 241 A CB -0.327 18.632 19.000 -0.068 0.000 0.818 241 A HN 0.109 nan 8.150 nan 0.000 0.443 242 M N 0.080 119.736 119.600 0.092 0.000 2.080 242 M HA -0.147 4.337 4.480 0.006 0.000 0.260 242 M C 1.406 177.820 176.300 0.190 0.000 1.068 242 M CA 1.524 56.920 55.300 0.159 0.000 1.109 242 M CB -1.655 31.023 32.600 0.130 0.000 1.342 242 M HN 0.330 nan 8.290 nan 0.000 0.405 243 D N 0.511 120.987 120.400 0.127 0.000 2.218 243 D HA -0.109 4.535 4.640 0.006 0.000 0.204 243 D C 1.504 177.873 176.300 0.114 0.000 0.976 243 D CA 1.106 55.182 54.000 0.128 0.000 0.853 243 D CB -0.135 40.703 40.800 0.063 0.000 0.939 243 D HN 0.402 nan 8.370 nan 0.000 0.481 244 K N -0.626 119.804 120.400 0.050 0.000 2.387 244 K HA 0.266 4.590 4.320 0.006 0.000 0.198 244 K C 0.831 177.376 176.600 -0.092 0.000 1.022 244 K CA 0.267 56.517 56.287 -0.063 0.000 1.128 244 K CB 0.945 33.411 32.500 -0.056 0.000 0.853 244 K HN 0.052 nan 8.250 nan 0.000 0.523 245 G N 1.901 110.766 108.800 0.109 0.000 2.198 245 G HA2 -0.247 3.716 3.960 0.006 0.000 0.257 245 G HA3 -0.247 3.716 3.960 0.006 0.000 0.257 245 G C 0.113 175.149 174.900 0.226 0.000 1.042 245 G CA 0.127 45.375 45.100 0.247 0.000 0.791 245 G HN 0.245 nan 8.290 nan 0.000 0.502 246 V N 0.364 120.386 119.914 0.181 0.000 2.644 246 V HA 0.262 4.386 4.120 0.006 0.000 0.305 246 V C 1.660 177.898 176.094 0.240 0.000 1.053 246 V CA 1.520 63.909 62.300 0.148 0.000 1.186 246 V CB 1.082 32.944 31.823 0.066 0.000 0.895 246 V HN 0.504 nan 8.190 nan 0.000 0.490 247 S N 3.419 119.199 115.700 0.134 0.000 2.414 247 S HA 0.024 4.498 4.470 0.006 0.000 0.227 247 S C 0.658 175.263 174.600 0.009 0.000 1.022 247 S CA 0.993 59.227 58.200 0.057 0.000 0.958 247 S CB -0.017 63.135 63.200 -0.080 0.000 0.797 247 S HN 1.064 nan 8.310 nan 0.000 0.493 248 T N -1.466 113.090 114.554 0.003 0.000 2.864 248 T HA 0.716 5.070 4.350 0.006 0.000 0.299 248 T C -1.148 173.535 174.700 -0.029 0.000 1.166 248 T CA -0.751 61.296 62.100 -0.089 0.000 1.007 248 T CB 1.917 70.492 68.868 -0.488 0.000 1.219 248 T HN -0.176 nan 8.240 nan 0.000 0.506 249 V N 2.456 122.326 119.914 -0.074 0.000 2.638 249 V HA 0.559 4.682 4.120 0.006 0.000 0.306 249 V C -0.391 175.705 176.094 0.004 0.000 1.052 249 V CA -0.879 61.340 62.300 -0.135 0.000 0.885 249 V CB 1.855 33.390 31.823 -0.481 0.000 0.999 249 V HN 1.080 nan 8.190 nan 0.000 0.424 250 M N 5.397 125.032 119.600 0.059 0.000 2.300 250 M HA 0.564 5.048 4.480 0.006 0.000 0.348 250 M C -0.964 175.388 176.300 0.087 0.000 1.151 250 M CA -0.612 54.732 55.300 0.073 0.000 1.046 250 M CB 1.029 33.663 32.600 0.058 0.000 1.647 250 M HN 0.433 nan 8.290 nan 0.000 0.451 251 I N 2.671 123.237 120.570 -0.006 0.000 2.519 251 I HA 0.146 4.320 4.170 0.006 0.000 0.287 251 I C 0.582 176.682 176.117 -0.028 0.000 1.047 251 I CA 0.084 61.323 61.300 -0.101 0.000 1.381 251 I CB 1.151 38.861 38.000 -0.485 0.000 1.417 251 I HN 0.680 nan 8.210 nan 0.000 0.540 252 S N 3.937 119.678 115.700 0.068 0.000 2.580 252 S HA 0.184 4.657 4.470 0.006 0.000 0.274 252 S C 1.055 175.809 174.600 0.257 0.000 1.329 252 S CA -0.113 58.173 58.200 0.143 0.000 1.036 252 S CB 0.318 63.597 63.200 0.132 0.000 0.919 252 S HN 0.404 nan 8.310 nan 0.000 0.515 253 Y N 2.634 123.082 120.300 0.247 0.000 2.333 253 Y HA -0.095 4.459 4.550 0.006 0.000 0.290 253 Y C 1.946 177.927 175.900 0.135 0.000 1.144 253 Y CA 0.629 58.836 58.100 0.178 0.000 1.228 253 Y CB -0.263 38.249 38.460 0.087 0.000 0.985 253 Y HN 0.685 nan 8.280 nan 0.000 0.542 254 S N -0.434 115.414 115.700 0.245 0.000 2.606 254 S HA 0.239 4.712 4.470 0.006 0.000 0.257 254 S C 0.142 174.811 174.600 0.114 0.000 1.327 254 S CA -0.877 57.397 58.200 0.124 0.000 0.984 254 S CB 1.305 64.516 63.200 0.019 0.000 0.941 254 S HN 0.056 nan 8.310 nan 0.000 0.576 255 S N -0.020 115.726 115.700 0.076 0.000 2.621 255 S HA 0.553 5.027 4.470 0.006 0.000 0.302 255 S C -1.423 173.251 174.600 0.122 0.000 1.093 255 S CA -0.590 57.665 58.200 0.092 0.000 1.017 255 S CB 0.806 64.043 63.200 0.062 0.000 1.077 255 S HN 0.779 nan 8.310 nan 0.000 0.517 256 W N 2.505 123.758 121.300 -0.078 0.000 2.411 256 W HA 0.430 5.094 4.660 0.006 0.000 0.317 256 W C -0.337 176.139 176.519 -0.072 0.000 1.030 256 W CA -1.176 56.105 57.345 -0.106 0.000 1.239 256 W CB -0.681 28.695 29.460 -0.139 0.000 1.304 256 W HN 0.927 nan 8.180 nan 0.000 0.437 257 N N 4.540 123.024 118.700 -0.360 0.000 2.714 257 N HA -0.213 4.531 4.740 0.006 0.000 0.252 257 N C 1.013 176.375 175.510 -0.247 0.000 1.014 257 N CA 1.193 53.994 53.050 -0.416 0.000 0.735 257 N CB -0.955 37.080 38.487 -0.753 0.000 0.924 257 N HN 1.118 nan 8.380 nan 0.000 0.540 258 G N -2.472 106.255 108.800 -0.122 0.000 2.179 258 G HA2 -0.322 3.642 3.960 0.006 0.000 0.260 258 G HA3 -0.322 3.642 3.960 0.006 0.000 0.260 258 G C 0.114 174.998 174.900 -0.026 0.000 0.977 258 G CA 0.264 45.325 45.100 -0.065 0.000 0.641 258 G HN 0.416 nan 8.290 nan 0.000 0.533 259 V N 2.395 122.297 119.914 -0.019 0.000 2.370 259 V HA 0.400 4.524 4.120 0.006 0.000 0.279 259 V C 0.650 176.801 176.094 0.095 0.000 1.029 259 V CA -1.249 61.075 62.300 0.040 0.000 0.870 259 V CB 1.661 33.508 31.823 0.039 0.000 0.984 259 V HN 0.211 nan 8.190 nan 0.000 0.451 260 K N 4.799 125.266 120.400 0.112 0.000 2.451 260 K HA 0.126 4.450 4.320 0.006 0.000 0.280 260 K C 1.097 177.795 176.600 0.164 0.000 1.020 260 K CA -0.162 56.215 56.287 0.149 0.000 1.008 260 K CB 0.637 33.238 32.500 0.168 0.000 0.917 260 K HN 0.499 nan 8.250 nan 0.000 0.478 261 M N 1.974 121.676 119.600 0.170 0.000 2.108 261 M HA -0.171 4.313 4.480 0.006 0.000 0.261 261 M C 1.665 178.028 176.300 0.104 0.000 1.066 261 M CA 1.767 57.138 55.300 0.118 0.000 1.107 261 M CB -0.812 31.827 32.600 0.064 0.000 1.356 261 M HN 0.554 nan 8.290 nan 0.000 0.406 262 H N -1.114 118.012 119.070 0.094 0.000 2.543 262 H HA 0.062 4.622 4.556 0.006 0.000 0.286 262 H C 1.115 176.474 175.328 0.052 0.000 1.037 262 H CA 1.205 57.298 56.048 0.076 0.000 1.250 262 H CB 0.250 30.057 29.762 0.075 0.000 1.373 262 H HN 0.363 nan 8.280 nan 0.000 0.580 263 A N 0.507 123.419 122.820 0.152 0.000 2.538 263 A HA 0.032 4.355 4.320 0.006 0.000 0.269 263 A C 0.597 178.234 177.584 0.088 0.000 1.231 263 A CA -0.360 51.729 52.037 0.087 0.000 0.948 263 A CB 0.219 19.272 19.000 0.088 0.000 1.110 263 A HN 0.067 nan 8.150 nan 0.000 0.529 264 N N 1.182 119.945 118.700 0.105 0.000 2.645 264 N HA 0.085 4.829 4.740 0.006 0.000 0.233 264 N C 0.694 176.274 175.510 0.117 0.000 1.058 264 N CA 0.018 53.140 53.050 0.120 0.000 0.942 264 N CB 0.776 39.351 38.487 0.147 0.000 1.210 264 N HN 0.558 nan 8.380 nan 0.000 0.512 265 Q N 2.082 121.939 119.800 0.096 0.000 2.119 265 Q HA -0.131 4.212 4.340 0.006 0.000 0.201 265 Q C 0.174 176.241 176.000 0.111 0.000 0.972 265 Q CA 1.322 57.177 55.803 0.087 0.000 0.847 265 Q CB 0.335 29.110 28.738 0.063 0.000 0.903 265 Q HN 0.493 nan 8.270 nan 0.000 0.433 266 D N 0.460 120.935 120.400 0.125 0.000 2.104 266 D HA -0.176 4.468 4.640 0.006 0.000 0.194 266 D C 1.868 178.281 176.300 0.187 0.000 0.994 266 D CA 1.130 55.218 54.000 0.147 0.000 0.830 266 D CB -0.124 40.770 40.800 0.156 0.000 0.959 266 D HN 0.299 nan 8.370 nan 0.000 0.452 267 L N -0.125 121.218 121.223 0.200 0.000 2.127 267 L HA -0.054 4.290 4.340 0.006 0.000 0.203 267 L C 2.446 179.542 176.870 0.376 0.000 1.080 267 L CA 0.388 55.385 54.840 0.261 0.000 0.768 267 L CB -0.139 41.994 42.059 0.123 0.000 0.924 267 L HN -0.058 nan 8.230 nan 0.000 0.444 268 V N -0.760 119.316 119.914 0.270 0.000 2.283 268 V HA -0.203 3.920 4.120 0.006 0.000 0.243 268 V C 2.423 178.558 176.094 0.069 0.000 1.039 268 V CA 2.237 64.621 62.300 0.140 0.000 1.016 268 V CB -0.456 31.425 31.823 0.097 0.000 0.650 268 V HN 0.419 nan 8.190 nan 0.000 0.449 269 T N 0.001 114.609 114.554 0.089 0.000 2.866 269 T HA 0.046 4.400 4.350 0.006 0.000 0.250 269 T C 1.916 176.662 174.700 0.076 0.000 1.033 269 T CA 1.210 63.350 62.100 0.066 0.000 1.145 269 T CB -0.602 68.299 68.868 0.055 0.000 0.866 269 T HN 0.548 nan 8.240 nan 0.000 0.434 270 G N -0.467 108.399 108.800 0.110 0.000 2.418 270 G HA2 -0.200 3.764 3.960 0.006 0.000 0.217 270 G HA3 -0.200 3.764 3.960 0.006 0.000 0.217 270 G C 1.333 176.324 174.900 0.153 0.000 1.158 270 G CA 0.754 45.927 45.100 0.122 0.000 0.771 270 G HN 0.505 nan 8.290 nan 0.000 0.545 271 Y N -0.522 119.821 120.300 0.072 0.000 2.265 271 Y HA 0.298 4.852 4.550 0.006 0.000 0.290 271 Y C 2.454 178.384 175.900 0.049 0.000 1.137 271 Y CA 0.508 58.653 58.100 0.075 0.000 1.147 271 Y CB -0.205 38.318 38.460 0.105 0.000 1.104 271 Y HN 0.078 nan 8.280 nan 0.000 0.514 272 L N 1.163 122.440 121.223 0.089 0.000 1.994 272 L HA -0.185 4.158 4.340 0.006 0.000 0.208 272 L C 1.945 178.776 176.870 -0.066 0.000 1.071 272 L CA 2.069 56.818 54.840 -0.152 0.000 0.745 272 L CB -0.677 41.039 42.059 -0.572 0.000 0.892 272 L HN 0.130 nan 8.230 nan 0.000 0.431 273 K N -0.952 119.446 120.400 -0.005 0.000 2.044 273 K HA -0.065 4.259 4.320 0.006 0.000 0.204 273 K C 1.649 178.241 176.600 -0.014 0.000 1.049 273 K CA 1.395 57.702 56.287 0.033 0.000 0.945 273 K CB -0.145 32.377 32.500 0.037 0.000 0.724 273 K HN 0.305 nan 8.250 nan 0.000 0.440 274 D N -0.426 119.958 120.400 -0.027 0.000 2.305 274 D HA -0.017 4.627 4.640 0.006 0.000 0.206 274 D C 1.409 177.663 176.300 -0.076 0.000 0.974 274 D CA 0.989 54.969 54.000 -0.033 0.000 0.871 274 D CB 0.374 41.173 40.800 -0.002 0.000 0.947 274 D HN 0.107 nan 8.370 nan 0.000 0.516 275 T N -0.110 114.346 114.554 -0.163 0.000 3.071 275 T HA 0.187 4.540 4.350 0.006 0.000 0.239 275 T C 1.974 176.505 174.700 -0.282 0.000 0.997 275 T CA -0.058 61.889 62.100 -0.256 0.000 1.134 275 T CB 0.282 68.892 68.868 -0.430 0.000 0.928 275 T HN 0.008 nan 8.240 nan 0.000 0.453 276 L N 0.803 121.819 121.223 -0.345 0.000 2.478 276 L HA 0.145 4.489 4.340 0.006 0.000 0.223 276 L C 0.458 177.296 176.870 -0.055 0.000 1.140 276 L CA 0.372 55.098 54.840 -0.190 0.000 0.842 276 L CB -0.261 41.698 42.059 -0.166 0.000 0.953 276 L HN 0.170 nan 8.230 nan 0.000 0.452 277 K N -0.443 119.928 120.400 -0.049 0.000 3.129 277 K HA -0.235 4.088 4.320 0.006 0.000 0.273 277 K C -0.091 176.533 176.600 0.040 0.000 1.123 277 K CA 0.513 56.788 56.287 -0.020 0.000 0.800 277 K CB -2.511 29.965 32.500 -0.041 0.000 1.238 277 K HN 0.173 nan 8.250 nan 0.000 0.492 278 F N 2.060 121.957 119.950 -0.088 0.000 2.578 278 F HA 0.011 4.542 4.527 0.006 0.000 0.381 278 F C 1.175 176.947 175.800 -0.047 0.000 1.069 278 F CA 0.175 58.136 58.000 -0.066 0.000 1.231 278 F CB 0.575 39.516 39.000 -0.099 0.000 1.086 278 F HN -0.096 nan 8.300 nan 0.000 0.564 279 K N 4.688 124.706 120.400 -0.637 0.000 2.402 279 K HA 0.250 4.574 4.320 0.006 0.000 0.204 279 K C 0.879 177.060 176.600 -0.697 0.000 1.056 279 K CA 0.343 56.311 56.287 -0.532 0.000 1.069 279 K CB 0.595 32.945 32.500 -0.250 0.000 0.888 279 K HN 0.767 nan 8.250 nan 0.000 0.546 280 G N 1.193 109.144 108.800 -1.416 0.000 2.494 280 G HA2 0.333 4.297 3.960 0.006 0.000 0.270 280 G HA3 0.333 4.297 3.960 0.006 0.000 0.270 280 G C -0.394 174.155 174.900 -0.586 0.000 1.423 280 G CA -0.494 44.103 45.100 -0.837 0.000 1.055 280 G HN 0.121 nan 8.290 nan 0.000 0.536 281 F N -1.222 118.673 119.950 -0.091 0.000 2.450 281 F HA 0.710 5.241 4.527 0.005 0.000 0.332 281 F C -0.508 175.480 175.800 0.313 0.000 1.093 281 F CA -1.702 56.344 58.000 0.077 0.000 1.003 281 F CB 1.642 40.658 39.000 0.026 0.000 1.151 281 F HN 0.213 nan 8.300 nan 0.000 0.474 282 V N 5.604 125.815 119.914 0.494 0.000 2.407 282 V HA 0.360 4.483 4.120 0.006 0.000 0.278 282 V C -0.003 176.298 176.094 0.346 0.000 1.037 282 V CA -0.638 61.855 62.300 0.322 0.000 0.900 282 V CB 1.130 33.064 31.823 0.185 0.000 0.983 282 V HN 0.895 nan 8.190 nan 0.000 0.459 283 I N 4.350 125.098 120.570 0.296 0.000 2.493 283 I HA 0.550 4.723 4.170 0.006 0.000 0.298 283 I C 0.781 176.977 176.117 0.131 0.000 0.998 283 I CA -0.180 61.289 61.300 0.282 0.000 1.137 283 I CB 2.160 40.417 38.000 0.428 0.000 1.310 283 I HN 0.798 nan 8.210 nan 0.000 0.445 284 S N 4.885 120.654 115.700 0.116 0.000 2.608 284 S HA 0.181 4.655 4.470 0.006 0.000 0.261 284 S C -0.092 174.593 174.600 0.142 0.000 1.314 284 S CA -0.552 57.754 58.200 0.176 0.000 0.992 284 S CB 1.117 64.459 63.200 0.238 0.000 0.935 284 S HN 0.689 nan 8.310 nan 0.000 0.564 285 D N -0.244 120.292 120.400 0.228 0.000 2.433 285 D HA 0.100 4.744 4.640 0.006 0.000 0.255 285 D C -0.553 175.777 176.300 0.051 0.000 1.226 285 D CA -0.633 53.336 54.000 -0.052 0.000 1.015 285 D CB 0.513 40.987 40.800 -0.544 0.000 1.091 285 D HN 0.720 nan 8.370 nan 0.000 0.527 286 W N 1.819 123.078 121.300 -0.069 0.000 2.529 286 W HA 0.107 4.771 4.660 0.006 0.000 0.319 286 W C -0.049 176.558 176.519 0.146 0.000 1.362 286 W CA 0.090 57.462 57.345 0.045 0.000 1.348 286 W CB -0.616 28.885 29.460 0.068 0.000 1.403 286 W HN 0.658 nan 8.180 nan 0.000 0.519 287 E N 2.253 122.496 120.200 0.072 0.000 2.722 287 E HA -0.256 4.098 4.350 0.006 0.000 0.265 287 E C 1.455 178.160 176.600 0.175 0.000 1.081 287 E CA 0.642 57.111 56.400 0.116 0.000 0.781 287 E CB -1.273 28.526 29.700 0.165 0.000 1.372 287 E HN 0.726 nan 8.360 nan 0.000 0.423 288 G N 1.072 109.908 108.800 0.059 0.000 2.422 288 G HA2 -0.218 3.745 3.960 0.006 0.000 0.218 288 G HA3 -0.218 3.745 3.960 0.006 0.000 0.218 288 G C 1.452 176.091 174.900 -0.435 0.000 1.146 288 G CA 0.976 45.842 45.100 -0.389 0.000 0.769 288 G HN 0.548 nan 8.290 nan 0.000 0.547 289 I N -0.879 119.620 120.570 -0.118 0.000 2.439 289 I HA -0.028 4.146 4.170 0.006 0.000 0.251 289 I C 1.730 177.881 176.117 0.057 0.000 1.139 289 I CA 1.757 63.054 61.300 -0.005 0.000 1.438 289 I CB -0.348 37.658 38.000 0.010 0.000 1.085 289 I HN -0.074 nan 8.210 nan 0.000 0.427 290 D N 1.740 122.232 120.400 0.153 0.000 2.149 290 D HA -0.160 4.484 4.640 0.006 0.000 0.198 290 D C 2.043 178.429 176.300 0.144 0.000 0.990 290 D CA 1.387 55.522 54.000 0.225 0.000 0.839 290 D CB -0.302 40.629 40.800 0.218 0.000 0.948 290 D HN 0.450 nan 8.370 nan 0.000 0.460 291 R N 0.021 120.580 120.500 0.099 0.000 2.313 291 R HA 0.215 4.558 4.340 0.006 0.000 0.199 291 R C 1.759 178.114 176.300 0.091 0.000 0.958 291 R CA -0.077 56.072 56.100 0.082 0.000 1.047 291 R CB -0.004 30.336 30.300 0.068 0.000 0.955 291 R HN 0.278 nan 8.270 nan 0.000 0.481 292 I N 0.757 121.389 120.570 0.103 0.000 2.286 292 I HA -0.192 3.982 4.170 0.006 0.000 0.248 292 I C 1.358 177.574 176.117 0.164 0.000 1.115 292 I CA 1.129 62.516 61.300 0.144 0.000 1.392 292 I CB -0.369 37.720 38.000 0.149 0.000 1.065 292 I HN 0.184 nan 8.210 nan 0.000 0.418 293 T N -1.821 112.831 114.554 0.163 0.000 2.902 293 T HA 0.376 4.730 4.350 0.006 0.000 0.280 293 T C -0.052 174.700 174.700 0.087 0.000 0.992 293 T CA -0.563 61.620 62.100 0.139 0.000 1.015 293 T CB 1.745 70.709 68.868 0.159 0.000 1.044 293 T HN -0.075 nan 8.240 nan 0.000 0.520 294 T N 3.244 117.833 114.554 0.059 0.000 2.815 294 T HA 0.544 4.898 4.350 0.006 0.000 0.289 294 T C -2.398 172.321 174.700 0.030 0.000 1.000 294 T CA -0.785 61.338 62.100 0.039 0.000 0.958 294 T CB 1.037 69.920 68.868 0.025 0.000 0.944 294 T HN 0.593 nan 8.240 nan 0.000 0.442 295 P HA 0.424 nan 4.420 nan 0.000 0.270 295 P C -0.456 176.876 177.300 0.054 0.000 1.223 295 P CA -0.640 62.481 63.100 0.035 0.000 0.785 295 P CB 0.320 32.037 31.700 0.028 0.000 0.923 296 A N 1.345 124.197 122.820 0.053 0.000 2.540 296 A HA 0.405 4.729 4.320 0.006 0.000 0.239 296 A C 1.497 179.133 177.584 0.087 0.000 1.061 296 A CA 0.599 52.680 52.037 0.073 0.000 0.758 296 A CB -1.286 17.749 19.000 0.057 0.000 0.991 296 A HN 0.981 nan 8.150 nan 0.000 0.502 297 G N 1.258 110.139 108.800 0.135 0.000 2.184 297 G HA2 -0.293 3.671 3.960 0.006 0.000 0.264 297 G HA3 -0.293 3.671 3.960 0.006 0.000 0.264 297 G C 1.185 176.167 174.900 0.137 0.000 0.975 297 G CA 1.317 46.511 45.100 0.157 0.000 0.642 297 G HN 2.098 nan 8.290 nan 0.000 0.536 298 S N -1.270 114.500 115.700 0.117 0.000 2.481 298 S HA 0.208 4.681 4.470 0.006 0.000 0.231 298 S C 0.733 175.402 174.600 0.114 0.000 0.996 298 S CA 1.286 59.540 58.200 0.091 0.000 0.942 298 S CB 0.405 63.643 63.200 0.063 0.000 0.768 298 S HN 0.464 nan 8.310 nan 0.000 0.520 299 D N -0.303 120.199 120.400 0.170 0.000 2.586 299 D HA 0.196 4.840 4.640 0.006 0.000 0.254 299 D C -0.322 176.141 176.300 0.271 0.000 1.248 299 D CA -0.630 53.488 54.000 0.197 0.000 0.843 299 D CB -0.018 40.882 40.800 0.167 0.000 1.332 299 D HN 0.101 nan 8.370 nan 0.000 0.523 300 Y N 1.513 121.884 120.300 0.118 0.000 2.352 300 Y HA -0.116 4.438 4.550 0.006 0.000 0.292 300 Y C 2.212 178.198 175.900 0.142 0.000 1.136 300 Y CA 1.806 59.976 58.100 0.118 0.000 1.227 300 Y CB 0.121 38.630 38.460 0.082 0.000 0.991 300 Y HN 0.319 nan 8.280 nan 0.000 0.545 301 S N -0.837 114.982 115.700 0.198 0.000 2.359 301 S HA -0.323 4.151 4.470 0.006 0.000 0.224 301 S C 2.055 176.799 174.600 0.240 0.000 1.035 301 S CA 1.768 60.078 58.200 0.184 0.000 1.018 301 S CB -0.889 62.424 63.200 0.188 0.000 0.876 301 S HN 0.686 nan 8.310 nan 0.000 0.448 302 Y N 1.678 122.034 120.300 0.092 0.000 2.181 302 Y HA -0.125 4.429 4.550 0.006 0.000 0.288 302 Y C 2.625 178.530 175.900 0.008 0.000 1.146 302 Y CA 1.947 60.074 58.100 0.045 0.000 1.164 302 Y CB -0.627 37.858 38.460 0.042 0.000 0.982 302 Y HN 0.284 nan 8.280 nan 0.000 0.515 303 S N -0.440 115.203 115.700 -0.095 0.000 2.374 303 S HA -0.231 4.242 4.470 0.006 0.000 0.227 303 S C 1.986 176.424 174.600 -0.269 0.000 1.037 303 S CA 1.603 59.675 58.200 -0.213 0.000 1.024 303 S CB -0.701 62.403 63.200 -0.161 0.000 0.861 303 S HN 0.356 nan 8.310 nan 0.000 0.456 304 V N 1.599 121.355 119.914 -0.262 0.000 2.307 304 V HA -0.150 3.974 4.120 0.006 0.000 0.245 304 V C 2.380 178.423 176.094 -0.084 0.000 1.045 304 V CA 1.720 63.949 62.300 -0.119 0.000 1.024 304 V CB -0.529 31.241 31.823 -0.090 0.000 0.651 304 V HN 0.410 nan 8.190 nan 0.000 0.449 305 K N 0.272 120.582 120.400 -0.149 0.000 2.009 305 K HA -0.218 4.105 4.320 0.006 0.000 0.210 305 K C 2.237 178.672 176.600 -0.275 0.000 1.049 305 K CA 1.769 57.875 56.287 -0.303 0.000 0.929 305 K CB -0.411 31.828 32.500 -0.435 0.000 0.714 305 K HN 0.412 nan 8.250 nan 0.000 0.440 306 A N 0.809 123.363 122.820 -0.444 0.000 1.908 306 A HA -0.196 4.128 4.320 0.006 0.000 0.218 306 A C 2.157 179.638 177.584 -0.172 0.000 1.181 306 A CA 2.444 54.238 52.037 -0.404 0.000 0.627 306 A CB -0.781 17.768 19.000 -0.752 0.000 0.818 306 A HN 0.591 nan 8.150 nan 0.000 0.445 307 S N -0.353 115.273 115.700 -0.123 0.000 2.362 307 S HA -0.051 4.422 4.470 0.006 0.000 0.221 307 S C 1.799 176.408 174.600 0.015 0.000 1.032 307 S CA 1.182 59.378 58.200 -0.006 0.000 0.973 307 S CB -0.470 62.761 63.200 0.051 0.000 0.849 307 S HN 0.299 nan 8.310 nan 0.000 0.465 308 I N 2.371 122.947 120.570 0.009 0.000 2.252 308 I HA -0.015 4.159 4.170 0.006 0.000 0.245 308 I C 2.444 178.562 176.117 0.001 0.000 1.102 308 I CA 0.912 62.230 61.300 0.029 0.000 1.385 308 I CB -1.456 36.568 38.000 0.040 0.000 1.064 308 I HN 0.313 nan 8.210 nan 0.000 0.414 309 L N 0.632 121.835 121.223 -0.034 0.000 2.131 309 L HA -0.146 4.197 4.340 0.006 0.000 0.210 309 L C 2.675 179.543 176.870 -0.002 0.000 1.092 309 L CA 1.115 55.938 54.840 -0.028 0.000 0.759 309 L CB -0.643 41.383 42.059 -0.054 0.000 0.903 309 L HN 0.176 nan 8.230 nan 0.000 0.435 310 A N -0.448 122.374 122.820 0.003 0.000 2.070 310 A HA 0.053 4.376 4.320 0.006 0.000 0.220 310 A C 1.848 179.457 177.584 0.041 0.000 1.159 310 A CA 1.467 53.522 52.037 0.030 0.000 0.656 310 A CB -0.416 18.607 19.000 0.037 0.000 0.800 310 A HN 0.562 nan 8.150 nan 0.000 0.453 311 G N -2.868 105.954 108.800 0.036 0.000 2.227 311 G HA2 -0.075 3.889 3.960 0.006 0.000 0.168 311 G HA3 -0.075 3.889 3.960 0.006 0.000 0.168 311 G C -0.129 174.804 174.900 0.056 0.000 1.006 311 G CA -0.117 45.009 45.100 0.043 0.000 0.684 311 G HN 0.291 nan 8.290 nan 0.000 0.489 312 L N 1.657 122.914 121.223 0.058 0.000 2.456 312 L HA 0.382 4.725 4.340 0.006 0.000 0.272 312 L C 1.204 178.132 176.870 0.096 0.000 1.189 312 L CA 0.730 55.616 54.840 0.078 0.000 0.846 312 L CB 0.628 42.731 42.059 0.074 0.000 1.111 312 L HN 0.123 nan 8.230 nan 0.000 0.475 313 D N 1.097 121.573 120.400 0.126 0.000 2.525 313 D HA 0.119 4.763 4.640 0.006 0.000 0.248 313 D C 0.338 176.674 176.300 0.061 0.000 1.000 313 D CA 0.680 54.741 54.000 0.102 0.000 0.923 313 D CB 0.526 41.411 40.800 0.141 0.000 1.101 313 D HN 0.398 nan 8.370 nan 0.000 0.493 314 M N 1.374 121.024 119.600 0.084 0.000 2.326 314 M HA 0.327 4.810 4.480 0.006 0.000 0.306 314 M C -1.873 174.441 176.300 0.023 0.000 1.054 314 M CA -0.609 54.696 55.300 0.009 0.000 0.922 314 M CB 2.335 34.889 32.600 -0.077 0.000 1.632 314 M HN -0.331 nan 8.290 nan 0.000 0.436 315 I N 5.579 126.086 120.570 -0.105 0.000 2.339 315 I HA 0.271 4.444 4.170 0.006 0.000 0.290 315 I C -0.113 175.852 176.117 -0.254 0.000 0.994 315 I CA -0.409 60.745 61.300 -0.243 0.000 1.191 315 I CB 1.383 38.994 38.000 -0.648 0.000 1.343 315 I HN 0.915 nan 8.210 nan 0.000 0.458 316 M N 7.251 126.767 119.600 -0.140 0.000 2.821 316 M HA 0.103 4.587 4.480 0.006 0.000 0.305 316 M C 0.414 176.554 176.300 -0.267 0.000 1.466 316 M CA -0.027 55.180 55.300 -0.155 0.000 1.526 316 M CB 0.280 32.837 32.600 -0.072 0.000 1.321 316 M HN 0.494 nan 8.290 nan 0.000 0.492 317 V N 6.001 125.718 119.914 -0.330 0.000 2.255 317 V HA -0.142 3.982 4.120 0.006 0.000 0.247 317 V C -0.860 174.999 176.094 -0.391 0.000 1.051 317 V CA 1.950 64.058 62.300 -0.319 0.000 1.018 317 V CB -1.705 29.976 31.823 -0.237 0.000 0.641 317 V HN 0.736 nan 8.190 nan 0.000 0.445 318 P HA 0.090 nan 4.420 nan 0.000 0.267 318 P C 0.591 177.693 177.300 -0.330 0.000 1.289 318 P CA 0.733 63.507 63.100 -0.543 0.000 0.866 318 P CB 0.124 31.242 31.700 -0.970 0.000 1.309 319 N N 0.169 118.695 118.700 -0.290 0.000 2.591 319 N HA 0.057 4.800 4.740 0.006 0.000 0.200 319 N C 0.443 175.879 175.510 -0.123 0.000 1.040 319 N CA 0.178 53.139 53.050 -0.150 0.000 0.911 319 N CB -0.028 38.361 38.487 -0.162 0.000 1.259 319 N HN -0.136 nan 8.380 nan 0.000 0.438 320 K N 1.903 122.185 120.400 -0.196 0.000 2.751 320 K HA 0.074 4.398 4.320 0.006 0.000 0.252 320 K C 0.029 176.509 176.600 -0.200 0.000 1.277 320 K CA -0.190 55.930 56.287 -0.277 0.000 1.226 320 K CB -0.547 31.778 32.500 -0.292 0.000 1.658 320 K HN 0.424 nan 8.250 nan 0.000 0.303 321 Y N -1.355 118.938 120.300 -0.012 0.000 2.293 321 Y HA -0.198 4.356 4.550 0.007 0.000 0.291 321 Y C 1.995 177.967 175.900 0.120 0.000 1.137 321 Y CA 0.802 58.949 58.100 0.079 0.000 1.202 321 Y CB -0.318 38.157 38.460 0.025 0.000 0.990 321 Y HN 0.365 nan 8.280 nan 0.000 0.537 322 Q N 0.667 120.235 119.800 -0.386 0.000 2.079 322 Q HA -0.265 4.078 4.340 0.006 0.000 0.200 322 Q C 2.552 178.539 176.000 -0.021 0.000 0.974 322 Q CA 1.799 57.533 55.803 -0.114 0.000 0.840 322 Q CB -0.158 28.440 28.738 -0.232 0.000 0.898 322 Q HN 0.752 nan 8.270 nan 0.000 0.430 323 Q N -0.504 119.260 119.800 -0.060 0.000 2.050 323 Q HA -0.218 4.125 4.340 0.006 0.000 0.202 323 Q C 1.927 178.033 176.000 0.178 0.000 0.980 323 Q CA 1.639 57.450 55.803 0.013 0.000 0.840 323 Q CB -0.301 28.384 28.738 -0.089 0.000 0.898 323 Q HN 0.451 nan 8.270 nan 0.000 0.424 324 F N 1.193 121.241 119.950 0.164 0.000 2.043 324 F HA -0.259 4.271 4.527 0.006 0.000 0.297 324 F C 1.908 177.783 175.800 0.125 0.000 1.121 324 F CA 1.864 60.019 58.000 0.258 0.000 1.199 324 F CB -0.419 38.719 39.000 0.231 0.000 0.968 324 F HN 0.092 nan 8.300 nan 0.000 0.478 325 I N -0.684 119.886 120.570 -0.000 0.000 2.226 325 I HA -0.322 3.851 4.170 0.006 0.000 0.245 325 I C 2.744 178.775 176.117 -0.144 0.000 1.100 325 I CA 1.575 62.804 61.300 -0.118 0.000 1.374 325 I CB -0.803 37.258 38.000 0.102 0.000 1.057 325 I HN 0.264 nan 8.210 nan 0.000 0.413 326 S N 0.895 116.554 115.700 -0.070 0.000 2.368 326 S HA -0.127 4.347 4.470 0.006 0.000 0.225 326 S C 2.089 176.605 174.600 -0.140 0.000 1.030 326 S CA 1.065 59.220 58.200 -0.074 0.000 0.999 326 S CB -0.085 63.091 63.200 -0.039 0.000 0.844 326 S HN 0.234 nan 8.310 nan 0.000 0.459 327 I N 1.389 121.861 120.570 -0.164 0.000 2.202 327 I HA -0.082 4.092 4.170 0.006 0.000 0.242 327 I C 2.365 178.249 176.117 -0.389 0.000 1.091 327 I CA 0.958 62.096 61.300 -0.269 0.000 1.368 327 I CB -1.284 36.623 38.000 -0.154 0.000 1.058 327 I HN 0.373 nan 8.210 nan 0.000 0.410 328 L N 0.806 121.800 121.223 -0.382 0.000 2.056 328 L HA -0.154 4.189 4.340 0.006 0.000 0.207 328 L C 2.460 179.220 176.870 -0.184 0.000 1.078 328 L CA 1.992 56.646 54.840 -0.311 0.000 0.749 328 L CB -1.082 40.645 42.059 -0.553 0.000 0.901 328 L HN 0.153 nan 8.230 nan 0.000 0.433 329 T N -0.534 113.912 114.554 -0.181 0.000 2.720 329 T HA -0.131 4.223 4.350 0.006 0.000 0.268 329 T C 1.699 176.350 174.700 -0.082 0.000 1.037 329 T CA 1.320 63.359 62.100 -0.102 0.000 1.144 329 T CB -0.892 67.931 68.868 -0.075 0.000 0.864 329 T HN 0.590 nan 8.240 nan 0.000 0.444 330 G N 0.315 109.038 108.800 -0.128 0.000 2.418 330 G HA2 -0.214 3.749 3.960 0.006 0.000 0.217 330 G HA3 -0.214 3.749 3.960 0.006 0.000 0.217 330 G C 1.220 176.089 174.900 -0.052 0.000 1.158 330 G CA 0.698 45.731 45.100 -0.112 0.000 0.771 330 G HN 0.595 nan 8.290 nan 0.000 0.545 331 H N -0.692 118.345 119.070 -0.054 0.000 2.387 331 H HA -0.033 4.526 4.556 0.006 0.000 0.299 331 H C 2.745 178.049 175.328 -0.042 0.000 1.090 331 H CA 0.795 56.815 56.048 -0.047 0.000 1.332 331 H CB 0.243 29.967 29.762 -0.063 0.000 1.386 331 H HN 0.236 nan 8.280 nan 0.000 0.516 332 V N 0.875 120.833 119.914 0.072 0.000 2.307 332 V HA -0.235 3.889 4.120 0.006 0.000 0.245 332 V C 1.644 177.746 176.094 0.014 0.000 1.045 332 V CA 1.923 64.237 62.300 0.024 0.000 1.024 332 V CB -0.471 31.349 31.823 -0.005 0.000 0.651 332 V HN 0.511 nan 8.190 nan 0.000 0.449 333 N N 0.395 119.098 118.700 0.004 0.000 2.205 333 N HA -0.140 4.603 4.740 0.006 0.000 0.186 333 N C 1.712 177.228 175.510 0.011 0.000 1.015 333 N CA 1.157 54.208 53.050 0.001 0.000 0.862 333 N CB -0.249 38.233 38.487 -0.008 0.000 0.986 333 N HN 0.548 nan 8.380 nan 0.000 0.429 334 G N -0.745 108.071 108.800 0.027 0.000 2.880 334 G HA2 0.231 4.195 3.960 0.006 0.000 0.209 334 G HA3 0.231 4.195 3.960 0.006 0.000 0.209 334 G C 0.953 175.872 174.900 0.030 0.000 1.157 334 G CA 0.413 45.534 45.100 0.035 0.000 0.779 334 G HN 0.386 nan 8.290 nan 0.000 0.539 335 G N -0.747 108.068 108.800 0.025 0.000 2.143 335 G HA2 -0.311 3.652 3.960 0.006 0.000 0.249 335 G HA3 -0.311 3.652 3.960 0.006 0.000 0.249 335 G C 1.092 175.996 174.900 0.007 0.000 0.981 335 G CA 0.501 45.609 45.100 0.013 0.000 0.665 335 G HN 0.477 nan 8.290 nan 0.000 0.528 336 V N -0.021 119.901 119.914 0.012 0.000 2.591 336 V HA 0.248 4.372 4.120 0.006 0.000 0.249 336 V C 1.432 177.490 176.094 -0.061 0.000 1.053 336 V CA 1.662 63.943 62.300 -0.031 0.000 1.068 336 V CB -0.010 31.778 31.823 -0.059 0.000 0.689 336 V HN 0.478 nan 8.190 nan 0.000 0.462 337 I N 2.438 122.990 120.570 -0.030 0.000 2.389 337 I HA 0.350 4.523 4.170 0.006 0.000 0.288 337 I C -2.445 173.666 176.117 -0.011 0.000 0.999 337 I CA -2.004 59.278 61.300 -0.030 0.000 1.129 337 I CB 2.302 40.288 38.000 -0.022 0.000 1.288 337 I HN 0.077 nan 8.210 nan 0.000 0.444 338 P HA 0.115 nan 4.420 nan 0.000 0.274 338 P C 0.455 177.749 177.300 -0.010 0.000 1.231 338 P CA -0.539 62.555 63.100 -0.010 0.000 0.790 338 P CB 1.039 32.733 31.700 -0.010 0.000 0.951 339 M N 3.042 122.635 119.600 -0.011 0.000 2.202 339 M HA -0.185 4.298 4.480 0.006 0.000 0.262 339 M C 1.942 178.234 176.300 -0.014 0.000 1.063 339 M CA 2.206 57.498 55.300 -0.014 0.000 1.097 339 M CB -1.448 31.142 32.600 -0.017 0.000 1.382 339 M HN 0.463 nan 8.290 nan 0.000 0.413 340 S N -0.609 115.084 115.700 -0.012 0.000 2.383 340 S HA -0.231 4.242 4.470 0.006 0.000 0.229 340 S C 2.067 176.661 174.600 -0.010 0.000 1.030 340 S CA 1.512 59.705 58.200 -0.012 0.000 1.002 340 S CB -0.624 62.570 63.200 -0.010 0.000 0.829 340 S HN 0.561 nan 8.310 nan 0.000 0.467 341 R N 1.419 121.915 120.500 -0.007 0.000 2.062 341 R HA 0.158 4.501 4.340 0.006 0.000 0.229 341 R C 2.159 178.460 176.300 0.000 0.000 1.128 341 R CA 1.445 57.544 56.100 -0.002 0.000 0.960 341 R CB -0.817 29.482 30.300 -0.002 0.000 0.855 341 R HN 0.426 nan 8.270 nan 0.000 0.432 342 I N 1.456 122.023 120.570 -0.005 0.000 2.163 342 I HA -0.261 3.912 4.170 0.006 0.000 0.243 342 I C 1.427 177.536 176.117 -0.013 0.000 1.085 342 I CA 1.635 62.931 61.300 -0.007 0.000 1.347 342 I CB -1.277 36.713 38.000 -0.015 0.000 1.044 342 I HN 0.194 nan 8.210 nan 0.000 0.408 343 D N 0.550 120.940 120.400 -0.017 0.000 2.144 343 D HA -0.211 4.432 4.640 0.006 0.000 0.199 343 D C 1.889 178.178 176.300 -0.018 0.000 0.984 343 D CA 1.420 55.407 54.000 -0.022 0.000 0.834 343 D CB -0.306 40.480 40.800 -0.023 0.000 0.955 343 D HN 0.413 nan 8.370 nan 0.000 0.465 344 D N 0.188 120.580 120.400 -0.012 0.000 2.097 344 D HA -0.090 4.553 4.640 0.006 0.000 0.195 344 D C 1.968 178.266 176.300 -0.004 0.000 0.989 344 D CA 1.744 55.738 54.000 -0.010 0.000 0.827 344 D CB -0.088 40.708 40.800 -0.006 0.000 0.966 344 D HN 0.074 nan 8.370 nan 0.000 0.456 345 A N -0.050 122.772 122.820 0.004 0.000 1.883 345 A HA -0.153 4.170 4.320 0.006 0.000 0.217 345 A C 2.534 180.109 177.584 -0.016 0.000 1.186 345 A CA 1.961 54.004 52.037 0.010 0.000 0.624 345 A CB -0.985 18.027 19.000 0.020 0.000 0.822 345 A HN 0.237 nan 8.150 nan 0.000 0.444 346 V N -0.515 119.385 119.914 -0.023 0.000 2.358 346 V HA -0.207 3.917 4.120 0.006 0.000 0.246 346 V C 2.702 178.786 176.094 -0.018 0.000 1.047 346 V CA 2.358 64.636 62.300 -0.036 0.000 1.035 346 V CB -1.330 30.470 31.823 -0.038 0.000 0.658 346 V HN 0.602 nan 8.190 nan 0.000 0.452 347 T N -0.070 114.478 114.554 -0.009 0.000 2.665 347 T HA -0.263 4.091 4.350 0.006 0.000 0.268 347 T C 2.091 176.802 174.700 0.018 0.000 1.035 347 T CA 1.958 64.059 62.100 0.003 0.000 1.151 347 T CB -0.252 68.608 68.868 -0.014 0.000 0.862 347 T HN 0.442 nan 8.240 nan 0.000 0.438 348 R N 0.116 120.622 120.500 0.010 0.000 2.075 348 R HA 0.074 4.417 4.340 0.006 0.000 0.232 348 R C 2.482 178.852 176.300 0.116 0.000 1.126 348 R CA 1.179 57.300 56.100 0.035 0.000 0.963 348 R CB -0.439 29.883 30.300 0.035 0.000 0.858 348 R HN 0.396 nan 8.270 nan 0.000 0.435 349 I N 0.808 121.388 120.570 0.016 0.000 2.179 349 I HA -0.291 3.883 4.170 0.006 0.000 0.242 349 I C 2.186 178.304 176.117 0.001 0.000 1.088 349 I CA 1.344 62.564 61.300 -0.133 0.000 1.357 349 I CB -0.280 37.496 38.000 -0.372 0.000 1.051 349 I HN 0.130 nan 8.210 nan 0.000 0.409 350 L N 0.231 121.473 121.223 0.032 0.000 2.083 350 L HA -0.222 4.122 4.340 0.006 0.000 0.209 350 L C 2.775 179.791 176.870 0.243 0.000 1.083 350 L CA 1.287 56.198 54.840 0.119 0.000 0.752 350 L CB -0.672 41.498 42.059 0.186 0.000 0.899 350 L HN 0.263 nan 8.230 nan 0.000 0.433 351 R N 0.224 120.838 120.500 0.191 0.000 2.083 351 R HA -0.164 4.180 4.340 0.006 0.000 0.237 351 R C 2.204 178.607 176.300 0.172 0.000 1.137 351 R CA 1.763 57.969 56.100 0.177 0.000 0.951 351 R CB -0.231 30.113 30.300 0.072 0.000 0.851 351 R HN 0.148 nan 8.270 nan 0.000 0.434 352 V N 1.449 121.460 119.914 0.162 0.000 2.295 352 V HA -0.243 3.880 4.120 0.006 0.000 0.246 352 V C 2.271 178.432 176.094 0.112 0.000 1.049 352 V CA 2.055 64.436 62.300 0.136 0.000 1.024 352 V CB -0.443 31.508 31.823 0.214 0.000 0.648 352 V HN 0.392 nan 8.190 nan 0.000 0.447 353 K N -0.570 119.896 120.400 0.109 0.000 2.032 353 K HA -0.163 4.161 4.320 0.006 0.000 0.209 353 K C 2.107 178.788 176.600 0.136 0.000 1.048 353 K CA 1.883 58.204 56.287 0.056 0.000 0.927 353 K CB -0.401 32.087 32.500 -0.020 0.000 0.712 353 K HN 0.392 nan 8.250 nan 0.000 0.441 354 F N 1.233 121.315 119.950 0.220 0.000 2.134 354 F HA -0.202 4.328 4.527 0.005 0.000 0.299 354 F C 2.692 178.527 175.800 0.058 0.000 1.097 354 F CA 1.187 59.252 58.000 0.108 0.000 1.264 354 F CB -0.538 38.417 39.000 -0.074 0.000 1.001 354 F HN 0.024 nan 8.300 nan 0.000 0.479 355 T N 1.003 115.690 114.554 0.222 0.000 2.720 355 T HA -0.249 4.105 4.350 0.006 0.000 0.268 355 T C 1.873 176.575 174.700 0.003 0.000 1.037 355 T CA 1.814 63.973 62.100 0.098 0.000 1.144 355 T CB -0.422 68.493 68.868 0.078 0.000 0.864 355 T HN 0.380 nan 8.240 nan 0.000 0.444 356 M N 0.155 119.754 119.600 -0.002 0.000 2.659 356 M HA 0.366 4.849 4.480 0.006 0.000 0.243 356 M C 1.533 177.821 176.300 -0.021 0.000 1.111 356 M CA 1.060 56.320 55.300 -0.067 0.000 1.070 356 M CB -0.089 32.475 32.600 -0.061 0.000 1.525 356 M HN 0.284 nan 8.290 nan 0.000 0.517 357 G N 1.556 110.389 108.800 0.054 0.000 2.141 357 G HA2 -0.225 3.739 3.960 0.006 0.000 0.242 357 G HA3 -0.225 3.739 3.960 0.006 0.000 0.242 357 G C 0.549 175.501 174.900 0.085 0.000 0.982 357 G CA 0.305 45.455 45.100 0.082 0.000 0.662 357 G HN 0.501 nan 8.290 nan 0.000 0.527 358 L N -0.996 120.266 121.223 0.066 0.000 2.131 358 L HA 0.029 4.373 4.340 0.006 0.000 0.210 358 L C 2.588 179.408 176.870 -0.084 0.000 1.092 358 L CA 1.911 56.726 54.840 -0.042 0.000 0.759 358 L CB -0.325 41.659 42.059 -0.125 0.000 0.903 358 L HN 0.355 nan 8.230 nan 0.000 0.435 359 F N 0.144 120.040 119.950 -0.090 0.000 2.325 359 F HA -0.154 4.377 4.527 0.005 0.000 0.299 359 F C 2.316 178.122 175.800 0.009 0.000 1.090 359 F CA 0.824 58.794 58.000 -0.050 0.000 1.392 359 F CB -0.041 38.964 39.000 0.008 0.000 1.053 359 F HN 0.078 nan 8.300 nan 0.000 0.521 360 E N -0.719 119.599 120.200 0.196 0.000 2.190 360 E HA 0.035 4.389 4.350 0.006 0.000 0.191 360 E C 0.245 176.893 176.600 0.079 0.000 0.978 360 E CA 0.645 57.124 56.400 0.131 0.000 0.839 360 E CB 0.004 29.777 29.700 0.122 0.000 0.787 360 E HN 0.134 nan 8.360 nan 0.000 0.473 361 N N 0.831 119.556 118.700 0.043 0.000 2.765 361 N HA 0.122 4.865 4.740 0.006 0.000 0.277 361 N C -2.268 173.211 175.510 -0.051 0.000 1.750 361 N CA -0.719 52.346 53.050 0.024 0.000 0.827 361 N CB 1.550 40.059 38.487 0.036 0.000 1.200 361 N HN 0.062 nan 8.380 nan 0.000 0.494 362 P HA -0.029 nan 4.420 nan 0.000 0.229 362 P C -0.293 176.744 177.300 -0.439 0.000 1.160 362 P CA 0.831 63.709 63.100 -0.371 0.000 0.777 362 P CB 0.278 31.629 31.700 -0.582 0.000 0.814 363 Y N 0.179 120.482 120.300 0.005 0.000 2.496 363 Y HA 0.566 5.118 4.550 0.005 0.000 0.331 363 Y C 1.066 176.973 175.900 0.012 0.000 1.140 363 Y CA -1.541 56.564 58.100 0.009 0.000 1.166 363 Y CB 0.525 38.989 38.460 0.006 0.000 1.249 363 Y HN -0.132 nan 8.280 nan 0.000 0.479 364 A N 0.981 123.919 122.820 0.196 0.000 2.425 364 A HA 0.189 4.513 4.320 0.006 0.000 0.242 364 A C -0.454 177.184 177.584 0.091 0.000 1.077 364 A CA -0.185 51.917 52.037 0.107 0.000 0.781 364 A CB -0.086 18.966 19.000 0.087 0.000 1.020 364 A HN 0.684 nan 8.150 nan 0.000 0.494 365 D N 1.688 122.126 120.400 0.062 0.000 2.412 365 D HA 0.332 4.976 4.640 0.006 0.000 0.224 365 D C -1.526 174.798 176.300 0.039 0.000 1.093 365 D CA -2.074 51.955 54.000 0.049 0.000 0.850 365 D CB 1.178 42.003 40.800 0.042 0.000 1.046 365 D HN 0.158 nan 8.370 nan 0.000 0.507 366 P HA -0.122 nan 4.420 nan 0.000 0.221 366 P C 0.907 178.221 177.300 0.023 0.000 1.145 366 P CA 0.626 63.742 63.100 0.026 0.000 0.795 366 P CB 0.217 31.927 31.700 0.016 0.000 0.775 367 A N -0.821 122.013 122.820 0.023 0.000 2.168 367 A HA -0.013 4.311 4.320 0.006 0.000 0.215 367 A C 2.055 179.652 177.584 0.022 0.000 1.152 367 A CA 0.956 53.005 52.037 0.020 0.000 0.716 367 A CB -0.967 18.045 19.000 0.019 0.000 0.794 367 A HN 0.036 nan 8.150 nan 0.000 0.465 368 M N -0.921 118.694 119.600 0.026 0.000 2.541 368 M HA 0.106 4.590 4.480 0.006 0.000 0.252 368 M C 2.299 178.615 176.300 0.027 0.000 1.125 368 M CA 0.921 56.238 55.300 0.028 0.000 1.091 368 M CB -1.137 31.481 32.600 0.029 0.000 1.420 368 M HN 0.474 nan 8.290 nan 0.000 0.486 369 A N 1.576 124.412 122.820 0.027 0.000 1.948 369 A HA -0.211 4.113 4.320 0.006 0.000 0.220 369 A C 1.943 179.540 177.584 0.022 0.000 1.177 369 A CA 2.061 54.115 52.037 0.029 0.000 0.636 369 A CB -0.790 18.232 19.000 0.036 0.000 0.815 369 A HN 0.702 nan 8.150 nan 0.000 0.449 370 E N -0.815 119.393 120.200 0.014 0.000 2.409 370 E HA -0.178 4.176 4.350 0.006 0.000 0.198 370 E C 1.492 178.084 176.600 -0.014 0.000 1.024 370 E CA 0.804 57.204 56.400 -0.001 0.000 0.861 370 E CB -0.194 29.503 29.700 -0.006 0.000 0.788 370 E HN 0.552 nan 8.360 nan 0.000 0.521 371 Q N 0.458 120.264 119.800 0.010 0.000 2.291 371 Q HA 0.004 4.348 4.340 0.006 0.000 0.205 371 Q C 0.630 176.656 176.000 0.044 0.000 0.970 371 Q CA 0.326 56.151 55.803 0.037 0.000 0.876 371 Q CB -0.239 28.564 28.738 0.108 0.000 0.935 371 Q HN 0.334 nan 8.270 nan 0.000 0.455 372 L N 0.981 122.216 121.223 0.021 0.000 2.534 372 L HA 0.141 4.484 4.340 0.006 0.000 0.271 372 L C 0.992 177.849 176.870 -0.022 0.000 1.178 372 L CA 1.451 56.296 54.840 0.008 0.000 0.907 372 L CB 0.202 42.257 42.059 -0.007 0.000 1.164 372 L HN 0.488 nan 8.230 nan 0.000 0.482 373 G N 2.968 111.755 108.800 -0.022 0.000 2.179 373 G HA2 -0.354 3.610 3.960 0.006 0.000 0.257 373 G HA3 -0.354 3.610 3.960 0.006 0.000 0.257 373 G C 0.614 175.445 174.900 -0.114 0.000 1.010 373 G CA 0.546 45.599 45.100 -0.077 0.000 0.736 373 G HN 0.695 nan 8.290 nan 0.000 0.513 374 K N -0.397 119.893 120.400 -0.183 0.000 2.489 374 K HA 0.163 4.487 4.320 0.006 0.000 0.278 374 K C 1.664 178.100 176.600 -0.275 0.000 1.000 374 K CA 0.193 56.285 56.287 -0.324 0.000 1.012 374 K CB 0.504 32.612 32.500 -0.653 0.000 0.903 374 K HN 0.203 nan 8.250 nan 0.000 0.485 375 Q N 2.749 122.441 119.800 -0.180 0.000 2.152 375 Q HA -0.235 4.108 4.340 0.006 0.000 0.206 375 Q C 0.788 176.731 176.000 -0.094 0.000 0.985 375 Q CA 2.044 57.777 55.803 -0.117 0.000 0.863 375 Q CB 0.091 28.781 28.738 -0.081 0.000 0.904 375 Q HN 0.634 nan 8.270 nan 0.000 0.422 376 E N -0.992 119.135 120.200 -0.121 0.000 2.118 376 E HA -0.194 4.160 4.350 0.006 0.000 0.195 376 E C 1.885 178.548 176.600 0.105 0.000 0.992 376 E CA 1.546 57.932 56.400 -0.024 0.000 0.804 376 E CB -0.227 29.463 29.700 -0.017 0.000 0.741 376 E HN 0.540 nan 8.360 nan 0.000 0.458 377 H N 0.076 119.150 119.070 0.006 0.000 2.389 377 H HA 0.083 4.643 4.556 0.006 0.000 0.299 377 H C 1.959 177.245 175.328 -0.070 0.000 1.081 377 H CA 1.115 57.190 56.048 0.046 0.000 1.345 377 H CB -0.178 29.622 29.762 0.064 0.000 1.393 377 H HN 0.099 nan 8.280 nan 0.000 0.520 378 R N 0.499 120.985 120.500 -0.023 0.000 2.081 378 R HA -0.108 4.236 4.340 0.006 0.000 0.235 378 R C 1.647 177.903 176.300 -0.074 0.000 1.131 378 R CA 1.377 57.400 56.100 -0.128 0.000 0.960 378 R CB -0.042 30.184 30.300 -0.123 0.000 0.856 378 R HN 0.317 nan 8.270 nan 0.000 0.436 379 D N 0.954 121.342 120.400 -0.021 0.000 2.123 379 D HA -0.165 4.478 4.640 0.006 0.000 0.196 379 D C 1.841 178.148 176.300 0.012 0.000 0.992 379 D CA 0.876 54.873 54.000 -0.004 0.000 0.833 379 D CB -0.225 40.581 40.800 0.011 0.000 0.954 379 D HN 0.062 nan 8.370 nan 0.000 0.455 380 L N 0.872 122.135 121.223 0.066 0.000 2.046 380 L HA -0.063 4.280 4.340 0.006 0.000 0.208 380 L C 2.108 179.068 176.870 0.150 0.000 1.077 380 L CA 1.842 56.751 54.840 0.115 0.000 0.747 380 L CB -0.779 41.401 42.059 0.201 0.000 0.896 380 L HN -0.018 nan 8.230 nan 0.000 0.432 381 A N -0.353 122.523 122.820 0.095 0.000 1.933 381 A HA -0.252 4.071 4.320 0.006 0.000 0.218 381 A C 2.542 180.113 177.584 -0.021 0.000 1.175 381 A CA 1.797 53.820 52.037 -0.025 0.000 0.628 381 A CB -0.679 17.989 19.000 -0.553 0.000 0.814 381 A HN 0.540 nan 8.150 nan 0.000 0.444 382 R N -0.186 120.284 120.500 -0.051 0.000 2.081 382 R HA -0.181 4.163 4.340 0.006 0.000 0.235 382 R C 2.220 178.480 176.300 -0.068 0.000 1.131 382 R CA 1.777 57.847 56.100 -0.050 0.000 0.960 382 R CB -0.328 29.944 30.300 -0.046 0.000 0.856 382 R HN 0.717 nan 8.270 nan 0.000 0.436 383 E N -0.124 120.028 120.200 -0.080 0.000 2.058 383 E HA -0.226 4.128 4.350 0.006 0.000 0.194 383 E C 1.762 178.312 176.600 -0.084 0.000 0.997 383 E CA 1.388 57.703 56.400 -0.142 0.000 0.801 383 E CB -0.146 29.485 29.700 -0.115 0.000 0.746 383 E HN 0.487 nan 8.360 nan 0.000 0.450 384 A N 1.255 124.075 122.820 0.001 0.000 1.902 384 A HA -0.089 4.235 4.320 0.006 0.000 0.217 384 A C 2.421 180.041 177.584 0.059 0.000 1.181 384 A CA 1.889 53.953 52.037 0.045 0.000 0.623 384 A CB -0.827 18.250 19.000 0.129 0.000 0.818 384 A HN 0.433 nan 8.150 nan 0.000 0.443 385 A N -0.250 122.603 122.820 0.055 0.000 1.883 385 A HA -0.212 4.111 4.320 0.006 0.000 0.217 385 A C 2.312 179.928 177.584 0.053 0.000 1.186 385 A CA 1.840 53.921 52.037 0.072 0.000 0.624 385 A CB -0.584 18.442 19.000 0.044 0.000 0.822 385 A HN 0.477 nan 8.150 nan 0.000 0.444 386 R N 0.257 120.743 120.500 -0.023 0.000 2.083 386 R HA -0.137 4.207 4.340 0.006 0.000 0.237 386 R C 1.862 178.134 176.300 -0.046 0.000 1.137 386 R CA 2.045 58.098 56.100 -0.079 0.000 0.951 386 R CB -0.390 29.794 30.300 -0.194 0.000 0.851 386 R HN 0.565 nan 8.270 nan 0.000 0.434 387 K N 0.346 120.725 120.400 -0.035 0.000 2.283 387 K HA -0.053 4.271 4.320 0.006 0.000 0.202 387 K C 1.976 178.638 176.600 0.102 0.000 1.048 387 K CA 1.436 57.730 56.287 0.011 0.000 0.948 387 K CB 0.009 32.503 32.500 -0.011 0.000 0.742 387 K HN 0.301 nan 8.250 nan 0.000 0.458 388 S N 0.662 116.451 115.700 0.148 0.000 2.489 388 S HA 0.019 4.492 4.470 0.006 0.000 0.228 388 S C 0.814 175.664 174.600 0.417 0.000 0.995 388 S CA -0.091 58.266 58.200 0.262 0.000 0.934 388 S CB -0.368 63.005 63.200 0.288 0.000 0.771 388 S HN 0.089 nan 8.310 nan 0.000 0.522 389 L N 2.612 124.022 121.223 0.311 0.000 2.455 389 L HA 0.305 4.649 4.340 0.006 0.000 0.272 389 L C -0.611 176.470 176.870 0.352 0.000 1.174 389 L CA -0.540 54.493 54.840 0.322 0.000 0.869 389 L CB 0.638 42.903 42.059 0.343 0.000 1.130 389 L HN 0.056 nan 8.230 nan 0.000 0.474 390 V N 4.770 124.823 119.914 0.232 0.000 2.357 390 V HA 0.213 4.337 4.120 0.006 0.000 0.284 390 V C -0.016 176.007 176.094 -0.118 0.000 1.018 390 V CA -0.596 61.785 62.300 0.134 0.000 0.841 390 V CB 1.697 33.669 31.823 0.248 0.000 0.991 390 V HN 0.430 nan 8.190 nan 0.000 0.437 391 L N 6.000 127.067 121.223 -0.260 0.000 2.315 391 L HA 0.345 4.689 4.340 0.006 0.000 0.283 391 L C 0.673 177.325 176.870 -0.364 0.000 1.089 391 L CA 0.686 55.205 54.840 -0.535 0.000 0.833 391 L CB 0.434 41.971 42.059 -0.871 0.000 1.170 391 L HN 0.607 nan 8.230 nan 0.000 0.442 392 L N 3.755 124.749 121.223 -0.382 0.000 2.408 392 L HA 0.266 4.610 4.340 0.006 0.000 0.215 392 L C 0.674 177.408 176.870 -0.227 0.000 1.081 392 L CA 0.180 54.773 54.840 -0.413 0.000 0.840 392 L CB -0.101 41.492 42.059 -0.776 0.000 1.002 392 L HN 0.601 nan 8.230 nan 0.000 0.468 393 K N 0.180 120.448 120.400 -0.220 0.000 2.542 393 K HA 0.233 4.557 4.320 0.006 0.000 0.259 393 K C -1.239 175.263 176.600 -0.164 0.000 0.932 393 K CA -0.425 55.786 56.287 -0.125 0.000 0.820 393 K CB 1.879 34.319 32.500 -0.099 0.000 1.345 393 K HN -0.139 nan 8.250 nan 0.000 0.432 394 N N 2.596 121.225 118.700 -0.118 0.000 2.673 394 N HA 0.285 5.029 4.740 0.006 0.000 0.265 394 N C -1.430 174.036 175.510 -0.074 0.000 1.709 394 N CA -0.043 52.933 53.050 -0.124 0.000 0.792 394 N CB 1.158 39.555 38.487 -0.151 0.000 1.286 394 N HN 0.868 nan 8.380 nan 0.000 0.506 395 G N 1.286 110.050 108.800 -0.061 0.000 2.435 395 G HA2 -0.096 3.868 3.960 0.006 0.000 0.603 395 G HA3 -0.096 3.868 3.960 0.006 0.000 0.603 395 G C -0.092 174.792 174.900 -0.028 0.000 1.496 395 G CA -0.720 44.357 45.100 -0.038 0.000 0.896 395 G HN 0.216 nan 8.290 nan 0.000 0.657 396 K N -0.638 119.749 120.400 -0.021 0.000 2.296 396 K HA 0.123 4.447 4.320 0.006 0.000 0.200 396 K C 1.450 178.043 176.600 -0.012 0.000 1.048 396 K CA 1.493 57.770 56.287 -0.017 0.000 0.966 396 K CB 0.173 32.664 32.500 -0.014 0.000 0.754 396 K HN 0.890 nan 8.250 nan 0.000 0.466 397 T N -3.247 111.301 114.554 -0.009 0.000 2.883 397 T HA 0.123 4.477 4.350 0.006 0.000 0.296 397 T C 0.901 175.599 174.700 -0.004 0.000 1.117 397 T CA -0.614 61.483 62.100 -0.006 0.000 1.006 397 T CB 1.745 70.611 68.868 -0.004 0.000 1.191 397 T HN -0.026 nan 8.240 nan 0.000 0.508 398 S N -0.111 115.588 115.700 -0.001 0.000 2.507 398 S HA -0.065 4.409 4.470 0.006 0.000 0.235 398 S C 1.584 176.184 174.600 0.000 0.000 0.988 398 S CA 1.227 59.428 58.200 0.001 0.000 0.944 398 S CB -1.133 62.070 63.200 0.004 0.000 0.762 398 S HN 1.108 nan 8.310 nan 0.000 0.526 399 T N -2.783 111.771 114.554 -0.001 0.000 3.010 399 T HA 0.250 4.604 4.350 0.006 0.000 0.257 399 T C -0.157 174.543 174.700 -0.001 0.000 1.020 399 T CA -0.443 61.657 62.100 0.000 0.000 0.938 399 T CB -0.251 68.618 68.868 0.001 0.000 1.049 399 T HN 0.105 nan 8.240 nan 0.000 0.522 400 D N 2.722 123.120 120.400 -0.003 0.000 2.399 400 D HA 0.513 5.156 4.640 0.006 0.000 0.241 400 D C 0.415 176.712 176.300 -0.005 0.000 1.133 400 D CA 0.089 54.087 54.000 -0.003 0.000 0.890 400 D CB 0.799 41.595 40.800 -0.006 0.000 1.201 400 D HN 0.531 nan 8.370 nan 0.000 0.432 401 A N 2.961 125.780 122.820 -0.002 0.000 2.511 401 A HA 0.291 4.615 4.320 0.006 0.000 0.242 401 A C -1.941 175.636 177.584 -0.013 0.000 1.069 401 A CA -0.925 51.109 52.037 -0.004 0.000 0.763 401 A CB -0.384 18.617 19.000 0.002 0.000 1.001 401 A HN 0.383 nan 8.150 nan 0.000 0.498 402 P HA 0.035 nan 4.420 nan 0.000 0.267 402 P C 0.671 177.947 177.300 -0.039 0.000 1.205 402 P CA -0.283 62.799 63.100 -0.030 0.000 0.765 402 P CB 0.755 32.440 31.700 -0.025 0.000 0.828 403 L N 4.451 125.639 121.223 -0.057 0.000 2.044 403 L HA 0.011 4.355 4.340 0.006 0.000 0.205 403 L C 0.810 177.615 176.870 -0.108 0.000 1.075 403 L CA 1.629 56.421 54.840 -0.080 0.000 0.747 403 L CB -0.434 41.573 42.059 -0.087 0.000 0.903 403 L HN 0.280 nan 8.230 nan 0.000 0.435 404 L N 1.437 122.608 121.223 -0.088 0.000 2.325 404 L HA 0.397 4.741 4.340 0.006 0.000 0.279 404 L C -2.116 174.755 176.870 0.003 0.000 1.054 404 L CA -2.105 52.704 54.840 -0.052 0.000 0.804 404 L CB 0.765 42.825 42.059 0.002 0.000 1.200 404 L HN 0.013 nan 8.230 nan 0.000 0.436 405 P HA 0.237 nan 4.420 nan 0.000 0.278 405 P C -0.767 176.485 177.300 -0.080 0.000 1.238 405 P CA -0.386 62.707 63.100 -0.013 0.000 0.794 405 P CB 0.971 32.688 31.700 0.028 0.000 0.955 406 L N 4.093 125.200 121.223 -0.192 0.000 2.418 406 L HA 0.356 4.699 4.340 0.006 0.000 0.265 406 L C -1.708 175.200 176.870 0.063 0.000 1.143 406 L CA -1.985 52.686 54.840 -0.281 0.000 0.809 406 L CB 0.241 41.868 42.059 -0.720 0.000 1.124 406 L HN 0.270 nan 8.230 nan 0.000 0.456 407 P HA 0.138 nan 4.420 nan 0.000 0.280 407 P C -0.601 176.903 177.300 0.340 0.000 1.244 407 P CA -0.440 62.787 63.100 0.212 0.000 0.784 407 P CB 1.066 32.874 31.700 0.180 0.000 0.913 408 K N 1.294 121.802 120.400 0.180 0.000 2.288 408 K HA -0.041 4.282 4.320 0.006 0.000 0.201 408 K C 1.015 177.631 176.600 0.027 0.000 1.048 408 K CA 0.958 57.228 56.287 -0.028 0.000 0.956 408 K CB 0.100 32.509 32.500 -0.152 0.000 0.746 408 K HN 0.366 nan 8.250 nan 0.000 0.461 409 K N 0.947 121.396 120.400 0.082 0.000 2.293 409 K HA 0.426 4.749 4.320 0.006 0.000 0.267 409 K C -1.579 175.090 176.600 0.116 0.000 1.010 409 K CA -0.383 55.945 56.287 0.070 0.000 0.875 409 K CB 1.375 33.900 32.500 0.041 0.000 1.106 409 K HN 0.005 nan 8.250 nan 0.000 0.450 410 A N 4.959 127.838 122.820 0.098 0.000 2.594 410 A HA 0.462 4.785 4.320 0.006 0.000 0.295 410 A C -2.581 175.021 177.584 0.030 0.000 1.071 410 A CA -1.313 50.777 52.037 0.088 0.000 0.685 410 A CB 1.425 20.500 19.000 0.126 0.000 1.285 410 A HN 0.546 nan 8.150 nan 0.000 0.405 411 P HA -0.052 nan 4.420 nan 0.000 0.215 411 P C 0.087 177.381 177.300 -0.011 0.000 1.153 411 P CA 1.445 64.543 63.100 -0.004 0.000 0.853 411 P CB 0.262 31.952 31.700 -0.016 0.000 0.788 412 K N -0.357 120.035 120.400 -0.014 0.000 2.561 412 K HA 0.438 4.761 4.320 0.006 0.000 0.254 412 K C -1.362 175.288 176.600 0.082 0.000 0.942 412 K CA -0.770 55.536 56.287 0.031 0.000 0.818 412 K CB 1.223 33.702 32.500 -0.035 0.000 1.306 412 K HN -0.076 nan 8.250 nan 0.000 0.435 413 I N 0.829 121.457 120.570 0.097 0.000 2.934 413 I HA 0.614 4.788 4.170 0.006 0.000 0.306 413 I C -1.698 174.384 176.117 -0.059 0.000 1.110 413 I CA -1.320 59.926 61.300 -0.089 0.000 1.019 413 I CB 1.887 39.633 38.000 -0.425 0.000 1.227 413 I HN 0.473 nan 8.210 nan 0.000 0.434 414 L N 5.006 125.988 121.223 -0.401 0.000 2.322 414 L HA 0.707 5.051 4.340 0.006 0.000 0.281 414 L C -1.089 175.683 176.870 -0.164 0.000 1.014 414 L CA -0.434 54.067 54.840 -0.565 0.000 0.815 414 L CB 1.765 43.083 42.059 -1.235 0.000 1.247 414 L HN 0.540 nan 8.230 nan 0.000 0.421 415 V N 4.984 124.893 119.914 -0.008 0.000 2.448 415 V HA 0.959 5.083 4.120 0.006 0.000 0.295 415 V C 0.034 176.216 176.094 0.147 0.000 1.025 415 V CA -0.004 62.375 62.300 0.132 0.000 0.859 415 V CB 0.972 32.937 31.823 0.236 0.000 0.988 415 V HN 1.047 nan 8.190 nan 0.000 0.431 416 A N 3.238 126.118 122.820 0.102 0.000 2.569 416 A HA 1.059 5.382 4.320 0.006 0.000 0.290 416 A C -0.065 177.577 177.584 0.096 0.000 1.136 416 A CA -0.262 51.774 52.037 -0.002 0.000 0.710 416 A CB 1.838 20.780 19.000 -0.095 0.000 1.303 416 A HN 2.258 nan 8.150 nan 0.000 0.413 417 G N -0.886 107.946 108.800 0.053 0.000 2.617 417 G HA2 0.319 4.283 3.960 0.006 0.000 0.686 417 G HA3 0.319 4.283 3.960 0.006 0.000 0.686 417 G C 0.586 175.621 174.900 0.226 0.000 1.214 417 G CA 0.410 45.586 45.100 0.127 0.000 0.796 417 G HN 2.156 nan 8.290 nan 0.000 0.654 418 S N -0.433 115.431 115.700 0.273 0.000 2.440 418 S HA -0.151 4.322 4.470 0.006 0.000 0.238 418 S C 1.429 176.230 174.600 0.336 0.000 1.010 418 S CA 2.224 60.623 58.200 0.331 0.000 0.972 418 S CB -0.176 63.295 63.200 0.453 0.000 0.774 418 S HN 0.877 nan 8.310 nan 0.000 0.501 419 H N 0.289 119.507 119.070 0.246 0.000 2.652 419 H HA 0.630 5.190 4.556 0.006 0.000 0.274 419 H C 1.933 177.351 175.328 0.151 0.000 1.021 419 H CA 0.053 56.248 56.048 0.245 0.000 1.187 419 H CB -0.055 29.842 29.762 0.225 0.000 1.505 419 H HN 0.497 nan 8.280 nan 0.000 0.530 420 A N 0.024 122.998 122.820 0.257 0.000 1.968 420 A HA -0.077 4.246 4.320 0.006 0.000 0.217 420 A C 0.703 178.301 177.584 0.023 0.000 1.169 420 A CA 1.665 53.813 52.037 0.186 0.000 0.638 420 A CB 0.211 19.401 19.000 0.316 0.000 0.812 420 A HN 0.276 nan 8.150 nan 0.000 0.446 421 D N -1.146 119.221 120.400 -0.055 0.000 2.945 421 D HA 0.212 4.855 4.640 0.006 0.000 0.340 421 D C -0.894 175.296 176.300 -0.184 0.000 1.240 421 D CA -0.253 53.608 54.000 -0.232 0.000 0.749 421 D CB -0.565 39.868 40.800 -0.613 0.000 1.217 421 D HN 0.320 nan 8.370 nan 0.000 0.514 422 N N 1.503 120.115 118.700 -0.145 0.000 2.607 422 N HA 0.122 4.866 4.740 0.006 0.000 0.271 422 N C 0.435 175.862 175.510 -0.138 0.000 1.142 422 N CA -0.429 52.475 53.050 -0.243 0.000 0.810 422 N CB 0.802 38.980 38.487 -0.516 0.000 1.306 422 N HN 0.003 nan 8.380 nan 0.000 0.536 423 L N 3.582 124.737 121.223 -0.113 0.000 2.046 423 L HA 0.166 4.510 4.340 0.006 0.000 0.208 423 L C 2.156 179.014 176.870 -0.019 0.000 1.077 423 L CA 2.278 57.084 54.840 -0.057 0.000 0.747 423 L CB -0.680 41.340 42.059 -0.065 0.000 0.896 423 L HN 0.691 nan 8.230 nan 0.000 0.432 424 G N -1.594 107.183 108.800 -0.038 0.000 2.440 424 G HA2 -0.314 3.649 3.960 0.006 0.000 0.218 424 G HA3 -0.314 3.649 3.960 0.006 0.000 0.218 424 G C 1.594 176.584 174.900 0.151 0.000 1.154 424 G CA 1.139 46.259 45.100 0.034 0.000 0.767 424 G HN 0.544 nan 8.290 nan 0.000 0.552 425 Y N 1.136 121.382 120.300 -0.091 0.000 2.242 425 Y HA -0.189 4.365 4.550 0.006 0.000 0.291 425 Y C 3.277 179.190 175.900 0.022 0.000 1.137 425 Y CA 1.181 59.226 58.100 -0.093 0.000 1.181 425 Y CB 0.030 38.290 38.460 -0.333 0.000 0.989 425 Y HN 0.413 nan 8.280 nan 0.000 0.527 426 Q N -1.038 118.876 119.800 0.190 0.000 2.369 426 Q HA -0.107 4.237 4.340 0.006 0.000 0.206 426 Q C 1.926 177.994 176.000 0.114 0.000 0.963 426 Q CA 1.361 57.255 55.803 0.153 0.000 0.894 426 Q CB -0.484 28.321 28.738 0.112 0.000 0.965 426 Q HN 0.394 nan 8.270 nan 0.000 0.475 427 C N 0.470 119.831 119.300 0.101 0.000 2.504 427 C HA 0.397 4.861 4.460 0.006 0.000 0.279 427 C C 1.513 176.597 174.990 0.156 0.000 1.358 427 C CA 0.508 59.600 59.018 0.124 0.000 1.747 427 C CB -0.879 26.919 27.740 0.098 0.000 2.037 427 C HN 0.893 nan 8.230 nan 0.000 0.503 428 G N 0.169 109.003 108.800 0.057 0.000 2.645 428 G HA2 0.113 4.077 3.960 0.006 0.000 0.239 428 G HA3 0.113 4.077 3.960 0.006 0.000 0.239 428 G C 0.167 175.014 174.900 -0.088 0.000 1.331 428 G CA -0.414 44.605 45.100 -0.136 0.000 0.890 428 G HN 0.884 nan 8.290 nan 0.000 0.572 429 G N -2.634 105.958 108.800 -0.347 0.000 2.699 429 G HA2 0.439 4.403 3.960 0.006 0.000 0.246 429 G HA3 0.439 4.403 3.960 0.006 0.000 0.246 429 G C 0.502 175.530 174.900 0.214 0.000 1.219 429 G CA 0.708 45.694 45.100 -0.190 0.000 0.866 429 G HN 1.791 nan 8.290 nan 0.000 0.572 430 W N -1.499 119.882 121.300 0.134 0.000 5.963 430 W HA -0.174 4.490 4.660 0.007 0.000 0.400 430 W C 0.245 177.002 176.519 0.396 0.000 1.530 430 W CA 0.612 58.126 57.345 0.281 0.000 1.004 430 W CB -1.840 27.808 29.460 0.314 0.000 2.706 430 W HN 0.563 nan 8.180 nan 0.000 1.495 431 T N 0.836 115.647 114.554 0.428 0.000 2.965 431 T HA 0.404 4.757 4.350 0.006 0.000 0.306 431 T C 0.762 175.592 174.700 0.217 0.000 0.991 431 T CA -0.266 62.025 62.100 0.319 0.000 1.001 431 T CB 1.645 70.662 68.868 0.248 0.000 0.984 431 T HN 0.079 nan 8.240 nan 0.000 0.446 432 I N -0.321 120.380 120.570 0.219 0.000 4.497 432 I HA -0.249 3.925 4.170 0.006 0.000 0.059 432 I C 0.644 176.901 176.117 0.233 0.000 0.607 432 I CA 1.702 63.131 61.300 0.215 0.000 0.958 432 I CB -1.299 36.807 38.000 0.176 0.000 0.864 432 I HN 0.555 nan 8.210 nan 0.000 0.166 433 E N -0.007 120.311 120.200 0.197 0.000 2.232 433 E HA 0.091 4.444 4.350 0.006 0.000 0.265 433 E C 0.488 177.209 176.600 0.202 0.000 1.001 433 E CA -0.483 56.032 56.400 0.192 0.000 0.870 433 E CB 0.840 30.619 29.700 0.132 0.000 1.175 433 E HN 0.321 nan 8.360 nan 0.000 0.407 434 W N 2.088 123.349 121.300 -0.064 0.000 2.317 434 W HA -0.205 4.458 4.660 0.006 0.000 0.318 434 W C 1.358 177.618 176.519 -0.431 0.000 1.227 434 W CA 1.680 58.832 57.345 -0.322 0.000 1.269 434 W CB 0.047 29.298 29.460 -0.349 0.000 1.155 434 W HN 0.386 nan 8.180 nan 0.000 0.484 435 Q N 0.543 120.161 119.800 -0.304 0.000 2.365 435 Q HA 0.235 4.578 4.340 0.006 0.000 0.203 435 Q C 1.130 176.999 176.000 -0.219 0.000 0.929 435 Q CA 0.992 56.527 55.803 -0.448 0.000 0.948 435 Q CB -0.412 28.129 28.738 -0.328 0.000 1.043 435 Q HN 0.370 nan 8.270 nan 0.000 0.505 436 G N 1.473 110.218 108.800 -0.092 0.000 2.697 436 G HA2 -0.220 3.744 3.960 0.006 0.000 0.240 436 G HA3 -0.220 3.744 3.960 0.006 0.000 0.240 436 G C -0.599 174.317 174.900 0.026 0.000 1.346 436 G CA 0.061 45.165 45.100 0.007 0.000 0.887 436 G HN 0.352 nan 8.290 nan 0.000 0.569 437 D N -2.802 117.632 120.400 0.056 0.000 2.738 437 D HA 0.637 5.280 4.640 0.006 0.000 0.308 437 D C -0.433 175.910 176.300 0.071 0.000 1.311 437 D CA 0.558 54.593 54.000 0.058 0.000 0.799 437 D CB 1.366 42.198 40.800 0.054 0.000 1.332 437 D HN 0.716 nan 8.370 nan 0.000 0.441 438 T N -0.278 114.284 114.554 0.014 0.000 2.895 438 T HA 0.670 5.023 4.350 0.006 0.000 0.283 438 T C 0.471 175.070 174.700 -0.168 0.000 1.014 438 T CA 1.181 63.204 62.100 -0.129 0.000 1.037 438 T CB 0.439 69.204 68.868 -0.172 0.000 1.006 438 T HN 0.857 nan 8.240 nan 0.000 0.468 439 G N 3.299 111.935 108.800 -0.274 0.000 2.527 439 G HA2 -0.180 3.784 3.960 0.006 0.000 0.227 439 G HA3 -0.180 3.784 3.960 0.006 0.000 0.227 439 G C -0.255 174.578 174.900 -0.111 0.000 1.291 439 G CA -0.138 44.846 45.100 -0.194 0.000 0.904 439 G HN 0.901 nan 8.290 nan 0.000 0.577 440 R N 1.224 121.682 120.500 -0.069 0.000 2.891 440 R HA 0.441 4.785 4.340 0.006 0.000 0.248 440 R C 1.843 178.157 176.300 0.023 0.000 1.439 440 R CA 0.784 56.864 56.100 -0.032 0.000 1.288 440 R CB -0.539 29.745 30.300 -0.026 0.000 1.212 440 R HN 0.774 nan 8.270 nan 0.000 0.605 441 T N -1.814 112.755 114.554 0.026 0.000 3.081 441 T HA 0.048 4.402 4.350 0.006 0.000 0.255 441 T C 0.854 175.637 174.700 0.138 0.000 1.113 441 T CA 0.428 62.578 62.100 0.084 0.000 1.082 441 T CB 0.427 69.334 68.868 0.065 0.000 0.939 441 T HN 0.360 nan 8.240 nan 0.000 0.506 442 T N -0.141 114.424 114.554 0.018 0.000 2.648 442 T HA 0.496 4.849 4.350 0.006 0.000 0.304 442 T C -1.745 172.792 174.700 -0.272 0.000 1.312 442 T CA -0.562 61.402 62.100 -0.226 0.000 1.023 442 T CB 1.365 70.092 68.868 -0.235 0.000 1.612 442 T HN -0.048 nan 8.240 nan 0.000 0.487 443 V N 1.808 121.463 119.914 -0.432 0.000 2.461 443 V HA 0.741 4.864 4.120 0.006 0.000 0.275 443 V C 1.020 177.000 176.094 -0.190 0.000 1.047 443 V CA 0.800 62.943 62.300 -0.262 0.000 0.955 443 V CB 0.372 32.029 31.823 -0.275 0.000 0.988 443 V HN 1.182 nan 8.190 nan 0.000 0.471 444 G N 3.430 112.152 108.800 -0.131 0.000 2.428 444 G HA2 0.538 4.501 3.960 0.006 0.000 0.304 444 G HA3 0.538 4.501 3.960 0.006 0.000 0.304 444 G C -1.098 173.752 174.900 -0.084 0.000 1.303 444 G CA -0.433 44.598 45.100 -0.115 0.000 0.825 444 G HN 0.480 nan 8.290 nan 0.000 0.484 445 T N 1.179 115.690 114.554 -0.071 0.000 2.890 445 T HA 0.605 4.959 4.350 0.006 0.000 0.295 445 T C 0.527 175.202 174.700 -0.042 0.000 0.993 445 T CA 0.054 62.122 62.100 -0.053 0.000 0.979 445 T CB 1.082 69.926 68.868 -0.041 0.000 0.967 445 T HN 1.028 nan 8.240 nan 0.000 0.441 446 T N 0.812 115.336 114.554 -0.050 0.000 2.754 446 T HA 0.431 4.785 4.350 0.006 0.000 0.286 446 T C 1.739 176.431 174.700 -0.013 0.000 0.997 446 T CA -0.719 61.356 62.100 -0.042 0.000 0.982 446 T CB 0.417 69.234 68.868 -0.085 0.000 1.027 446 T HN 0.430 nan 8.240 nan 0.000 0.529 447 I N 0.330 120.907 120.570 0.012 0.000 2.226 447 I HA -0.091 4.083 4.170 0.006 0.000 0.245 447 I C 2.406 178.551 176.117 0.047 0.000 1.100 447 I CA 1.049 62.379 61.300 0.050 0.000 1.374 447 I CB -0.515 37.533 38.000 0.080 0.000 1.057 447 I HN 0.528 nan 8.210 nan 0.000 0.413 448 L N 1.061 122.277 121.223 -0.013 0.000 2.012 448 L HA -0.228 4.116 4.340 0.006 0.000 0.210 448 L C 2.349 179.203 176.870 -0.027 0.000 1.073 448 L CA 1.955 56.770 54.840 -0.042 0.000 0.748 448 L CB -0.669 41.245 42.059 -0.241 0.000 0.891 448 L HN 0.194 nan 8.230 nan 0.000 0.431 449 E N -0.408 119.759 120.200 -0.055 0.000 2.110 449 E HA -0.216 4.138 4.350 0.006 0.000 0.193 449 E C 2.157 178.756 176.600 -0.003 0.000 0.988 449 E CA 1.143 57.520 56.400 -0.039 0.000 0.804 449 E CB -0.336 29.332 29.700 -0.053 0.000 0.745 449 E HN 0.680 nan 8.360 nan 0.000 0.458 450 A N 0.875 123.707 122.820 0.021 0.000 1.898 450 A HA -0.131 4.193 4.320 0.006 0.000 0.216 450 A C 2.498 180.136 177.584 0.090 0.000 1.181 450 A CA 1.042 53.111 52.037 0.053 0.000 0.620 450 A CB -0.610 18.434 19.000 0.072 0.000 0.819 450 A HN 0.110 nan 8.150 nan 0.000 0.442 451 V N 0.316 120.311 119.914 0.134 0.000 2.287 451 V HA -0.309 3.814 4.120 0.006 0.000 0.248 451 V C 2.447 178.568 176.094 0.045 0.000 1.053 451 V CA 2.466 64.879 62.300 0.188 0.000 1.027 451 V CB -0.718 31.256 31.823 0.253 0.000 0.646 451 V HN 0.568 nan 8.190 nan 0.000 0.447 452 K N 0.313 120.733 120.400 0.033 0.000 2.152 452 K HA -0.125 4.198 4.320 0.006 0.000 0.206 452 K C 2.135 178.719 176.600 -0.027 0.000 1.048 452 K CA 1.481 57.768 56.287 0.001 0.000 0.933 452 K CB -0.380 32.121 32.500 0.002 0.000 0.721 452 K HN 0.497 nan 8.250 nan 0.000 0.447 453 A N 0.771 123.577 122.820 -0.023 0.000 2.119 453 A HA 0.083 4.406 4.320 0.006 0.000 0.216 453 A C 2.112 179.659 177.584 -0.061 0.000 1.152 453 A CA 1.376 53.394 52.037 -0.032 0.000 0.708 453 A CB -0.220 18.771 19.000 -0.015 0.000 0.805 453 A HN 0.308 nan 8.150 nan 0.000 0.460 454 A N -0.226 122.530 122.820 -0.107 0.000 1.973 454 A HA 0.403 4.727 4.320 0.006 0.000 0.210 454 A C 1.227 178.622 177.584 -0.315 0.000 1.200 454 A CA 0.745 52.657 52.037 -0.208 0.000 0.707 454 A CB -0.949 17.881 19.000 -0.283 0.000 0.862 454 A HN 0.885 nan 8.150 nan 0.000 0.461 455 V N -0.774 118.943 119.914 -0.327 0.000 3.051 455 V HA 0.209 4.333 4.120 0.006 0.000 0.306 455 V C 0.203 176.210 176.094 -0.146 0.000 1.083 455 V CA -1.011 61.113 62.300 -0.294 0.000 1.104 455 V CB 0.344 32.050 31.823 -0.195 0.000 1.027 455 V HN 0.429 nan 8.190 nan 0.000 0.483 456 D N 3.872 124.210 120.400 -0.104 0.000 2.449 456 D HA 0.053 4.697 4.640 0.006 0.000 0.236 456 D C -1.356 174.921 176.300 -0.038 0.000 1.149 456 D CA -0.733 53.234 54.000 -0.055 0.000 0.878 456 D CB 1.705 42.487 40.800 -0.029 0.000 1.198 456 D HN 0.546 nan 8.370 nan 0.000 0.446 457 P HA -0.146 nan 4.420 nan 0.000 0.221 457 P C 1.153 178.447 177.300 -0.010 0.000 1.145 457 P CA 0.923 64.012 63.100 -0.019 0.000 0.795 457 P CB 0.024 31.714 31.700 -0.016 0.000 0.775 458 S N -1.490 114.205 115.700 -0.008 0.000 2.522 458 S HA -0.016 4.458 4.470 0.006 0.000 0.227 458 S C 1.096 175.696 174.600 0.001 0.000 0.986 458 S CA 0.271 58.470 58.200 -0.003 0.000 0.929 458 S CB -1.392 61.808 63.200 -0.001 0.000 0.769 458 S HN 0.240 nan 8.310 nan 0.000 0.529 459 T N 2.145 116.699 114.554 0.001 0.000 2.749 459 T HA 0.461 4.815 4.350 0.006 0.000 0.295 459 T C -0.281 174.428 174.700 0.016 0.000 0.936 459 T CA -0.588 61.517 62.100 0.008 0.000 1.060 459 T CB 0.629 69.506 68.868 0.016 0.000 0.904 459 T HN 0.092 nan 8.240 nan 0.000 0.500 460 V N 6.430 126.358 119.914 0.023 0.000 2.455 460 V HA 0.279 4.403 4.120 0.006 0.000 0.273 460 V C 0.315 176.454 176.094 0.075 0.000 1.045 460 V CA -0.495 61.830 62.300 0.043 0.000 0.976 460 V CB 1.094 32.938 31.823 0.036 0.000 0.993 460 V HN 0.800 nan 8.190 nan 0.000 0.475 461 V N 6.401 126.366 119.914 0.086 0.000 2.370 461 V HA 0.388 4.512 4.120 0.006 0.000 0.283 461 V C -0.027 176.163 176.094 0.160 0.000 1.023 461 V CA -0.498 61.869 62.300 0.113 0.000 0.857 461 V CB 1.695 33.574 31.823 0.094 0.000 0.985 461 V HN 0.601 nan 8.190 nan 0.000 0.443 462 V N 5.790 125.830 119.914 0.210 0.000 2.435 462 V HA 0.449 4.573 4.120 0.006 0.000 0.290 462 V C -0.508 175.730 176.094 0.241 0.000 1.030 462 V CA -0.562 61.897 62.300 0.264 0.000 0.881 462 V CB 1.593 33.678 31.823 0.436 0.000 0.983 462 V HN 0.703 nan 8.190 nan 0.000 0.445 463 F N 4.597 124.602 119.950 0.092 0.000 2.436 463 F HA 0.798 5.328 4.527 0.006 0.000 0.340 463 F C 0.116 175.930 175.800 0.024 0.000 1.113 463 F CA -0.851 57.174 58.000 0.041 0.000 1.022 463 F CB 1.217 40.233 39.000 0.026 0.000 1.128 463 F HN 0.548 nan 8.300 nan 0.000 0.466 464 A N 5.623 127.926 122.820 -0.861 0.000 2.414 464 A HA 0.334 4.657 4.320 0.006 0.000 0.286 464 A C 0.571 177.538 177.584 -1.029 0.000 1.073 464 A CA -0.467 51.032 52.037 -0.896 0.000 0.727 464 A CB 0.944 19.534 19.000 -0.683 0.000 1.215 464 A HN 0.947 nan 8.150 nan 0.000 0.430 465 E N 1.869 121.472 120.200 -0.995 0.000 2.077 465 E HA -0.170 4.184 4.350 0.006 0.000 0.193 465 E C 0.199 176.647 176.600 -0.255 0.000 0.989 465 E CA 1.424 57.517 56.400 -0.512 0.000 0.800 465 E CB 0.066 29.654 29.700 -0.188 0.000 0.746 465 E HN 0.596 nan 8.360 nan 0.000 0.452 466 N N 0.562 119.104 118.700 -0.264 0.000 2.726 466 N HA 0.180 4.923 4.740 0.006 0.000 0.253 466 N C -2.787 172.594 175.510 -0.214 0.000 1.530 466 N CA -1.395 51.555 53.050 -0.168 0.000 0.772 466 N CB 1.092 39.527 38.487 -0.087 0.000 1.220 466 N HN 0.007 nan 8.380 nan 0.000 0.508 467 P HA 0.227 nan 4.420 nan 0.000 0.275 467 P C -0.465 176.773 177.300 -0.104 0.000 1.228 467 P CA -0.130 62.769 63.100 -0.334 0.000 0.786 467 P CB 1.024 32.511 31.700 -0.356 0.000 0.927 468 D N 0.488 120.865 120.400 -0.038 0.000 2.387 468 D HA 0.241 4.884 4.640 0.006 0.000 0.251 468 D C 1.249 177.616 176.300 0.111 0.000 1.141 468 D CA -0.650 53.373 54.000 0.038 0.000 0.987 468 D CB 0.163 40.984 40.800 0.036 0.000 1.116 468 D HN 0.287 nan 8.370 nan 0.000 0.491 469 A N 0.001 122.872 122.820 0.084 0.000 1.908 469 A HA -0.263 4.060 4.320 0.006 0.000 0.218 469 A C 1.994 179.649 177.584 0.118 0.000 1.181 469 A CA 2.039 54.130 52.037 0.091 0.000 0.627 469 A CB -1.029 18.006 19.000 0.059 0.000 0.818 469 A HN 0.810 nan 8.150 nan 0.000 0.445 470 E N -1.345 118.924 120.200 0.115 0.000 2.072 470 E HA -0.201 4.153 4.350 0.006 0.000 0.191 470 E C 1.794 178.478 176.600 0.140 0.000 0.985 470 E CA 1.191 57.652 56.400 0.102 0.000 0.801 470 E CB -0.280 29.469 29.700 0.081 0.000 0.750 470 E HN 0.606 nan 8.360 nan 0.000 0.452 471 F N 0.961 120.940 119.950 0.048 0.000 2.091 471 F HA -0.275 4.256 4.527 0.006 0.000 0.299 471 F C 1.986 177.879 175.800 0.155 0.000 1.103 471 F CA 1.717 59.763 58.000 0.077 0.000 1.228 471 F CB -0.231 38.808 39.000 0.065 0.000 0.984 471 F HN -0.094 nan 8.300 nan 0.000 0.477 472 V N 0.459 120.591 119.914 0.364 0.000 2.270 472 V HA -0.288 3.836 4.120 0.006 0.000 0.245 472 V C 2.313 178.523 176.094 0.194 0.000 1.043 472 V CA 2.261 64.764 62.300 0.337 0.000 1.014 472 V CB -0.777 31.196 31.823 0.250 0.000 0.645 472 V HN 0.254 nan 8.190 nan 0.000 0.447 473 K N 0.265 120.731 120.400 0.109 0.000 2.103 473 K HA -0.122 4.202 4.320 0.006 0.000 0.207 473 K C 2.144 178.733 176.600 -0.018 0.000 1.048 473 K CA 1.739 58.056 56.287 0.050 0.000 0.930 473 K CB -0.235 32.289 32.500 0.040 0.000 0.716 473 K HN 0.358 nan 8.250 nan 0.000 0.444 474 S N -0.201 115.459 115.700 -0.065 0.000 2.548 474 S HA 0.033 4.507 4.470 0.006 0.000 0.215 474 S C 1.594 176.022 174.600 -0.286 0.000 0.976 474 S CA 0.361 58.476 58.200 -0.142 0.000 0.908 474 S CB 0.703 63.831 63.200 -0.120 0.000 0.781 474 S HN 0.502 nan 8.310 nan 0.000 0.519 475 G N 1.082 109.642 108.800 -0.400 0.000 2.650 475 G HA2 0.304 4.267 3.960 0.006 0.000 0.214 475 G HA3 0.304 4.267 3.960 0.006 0.000 0.214 475 G C 1.047 175.327 174.900 -1.033 0.000 1.136 475 G CA 0.266 44.830 45.100 -0.894 0.000 0.789 475 G HN 0.722 nan 8.290 nan 0.000 0.536 476 G N -0.560 107.899 108.800 -0.569 0.000 2.221 476 G HA2 -0.278 3.686 3.960 0.006 0.000 0.265 476 G HA3 -0.278 3.686 3.960 0.006 0.000 0.265 476 G C 0.108 174.774 174.900 -0.390 0.000 1.041 476 G CA -0.089 44.772 45.100 -0.399 0.000 0.807 476 G HN 0.380 nan 8.290 nan 0.000 0.502 477 F N 0.177 120.078 119.950 -0.081 0.000 2.399 477 F HA 0.471 5.002 4.527 0.006 0.000 0.342 477 F C 1.747 177.506 175.800 -0.069 0.000 1.106 477 F CA 0.038 57.985 58.000 -0.088 0.000 1.196 477 F CB 1.478 40.434 39.000 -0.073 0.000 1.163 477 F HN 0.029 nan 8.300 nan 0.000 0.547 478 S N 0.971 116.721 115.700 0.084 0.000 2.395 478 S HA 0.006 4.480 4.470 0.006 0.000 0.225 478 S C -0.754 173.957 174.600 0.185 0.000 1.027 478 S CA 0.755 58.997 58.200 0.071 0.000 0.965 478 S CB -0.116 63.096 63.200 0.020 0.000 0.812 478 S HN 0.643 nan 8.310 nan 0.000 0.482 479 Y N -2.078 118.309 120.300 0.144 0.000 2.779 479 Y HA 0.756 5.310 4.550 0.006 0.000 0.340 479 Y C -1.144 174.780 175.900 0.040 0.000 1.252 479 Y CA -1.903 56.248 58.100 0.084 0.000 1.072 479 Y CB 0.519 39.017 38.460 0.064 0.000 1.343 479 Y HN -0.068 nan 8.280 nan 0.000 0.450 480 A N 1.154 124.117 122.820 0.238 0.000 2.435 480 A HA 0.846 5.169 4.320 0.006 0.000 0.304 480 A C -1.693 175.987 177.584 0.161 0.000 1.064 480 A CA -0.881 51.209 52.037 0.088 0.000 0.727 480 A CB 1.225 20.197 19.000 -0.047 0.000 1.284 480 A HN 0.716 nan 8.150 nan 0.000 0.415 481 I N 1.636 122.282 120.570 0.127 0.000 2.362 481 I HA 0.475 4.649 4.170 0.006 0.000 0.289 481 I C -0.698 175.460 176.117 0.067 0.000 0.994 481 I CA -0.803 60.553 61.300 0.093 0.000 1.158 481 I CB 1.797 39.869 38.000 0.119 0.000 1.315 481 I HN 0.380 nan 8.210 nan 0.000 0.451 482 V N 6.697 126.637 119.914 0.044 0.000 2.444 482 V HA 0.836 4.959 4.120 0.006 0.000 0.294 482 V C -0.507 175.617 176.094 0.050 0.000 1.022 482 V CA -0.183 62.144 62.300 0.045 0.000 0.850 482 V CB 1.592 33.426 31.823 0.019 0.000 0.992 482 V HN 0.779 nan 8.190 nan 0.000 0.426 483 A N 6.789 129.665 122.820 0.093 0.000 2.318 483 A HA 0.918 5.241 4.320 0.006 0.000 0.317 483 A C -0.619 177.036 177.584 0.118 0.000 1.159 483 A CA -0.048 52.050 52.037 0.101 0.000 0.799 483 A CB 1.490 20.583 19.000 0.155 0.000 1.194 483 A HN 1.926 nan 8.150 nan 0.000 0.479 484 V N -0.306 119.584 119.914 -0.040 0.000 3.202 484 V HA 1.070 5.194 4.120 0.006 0.000 0.306 484 V C 0.139 175.855 176.094 -0.630 0.000 1.283 484 V CA 0.028 62.205 62.300 -0.205 0.000 1.065 484 V CB 1.203 32.986 31.823 -0.066 0.000 1.079 484 V HN 2.422 nan 8.190 nan 0.000 0.448 485 G N 0.427 108.733 108.800 -0.823 0.000 2.373 485 G HA2 0.247 4.211 3.960 0.006 0.000 0.250 485 G HA3 0.247 4.211 3.960 0.006 0.000 0.250 485 G C -1.209 173.506 174.900 -0.307 0.000 1.304 485 G CA -0.367 44.400 45.100 -0.554 0.000 0.948 485 G HN 0.985 nan 8.290 nan 0.000 0.474 486 E N 0.131 120.277 120.200 -0.089 0.000 2.373 486 E HA 0.379 4.733 4.350 0.006 0.000 0.263 486 E C -0.231 176.437 176.600 0.113 0.000 1.073 486 E CA -0.231 56.178 56.400 0.015 0.000 0.894 486 E CB 0.671 30.460 29.700 0.149 0.000 1.008 486 E HN 0.504 nan 8.360 nan 0.000 0.420 487 H N 0.879 119.893 119.070 -0.093 0.000 2.505 487 H HA 0.184 4.744 4.556 0.006 0.000 0.355 487 H C -2.014 173.226 175.328 -0.148 0.000 1.179 487 H CA -2.309 53.537 56.048 -0.337 0.000 1.343 487 H CB 0.431 30.027 29.762 -0.276 0.000 1.501 487 H HN 0.236 nan 8.280 nan 0.000 0.569 488 P HA -0.023 nan 4.420 nan 0.000 0.266 488 P C -1.331 175.906 177.300 -0.105 0.000 1.195 488 P CA 0.619 63.615 63.100 -0.174 0.000 0.768 488 P CB 0.196 31.852 31.700 -0.073 0.000 0.838 489 Y N -1.576 118.621 120.300 -0.171 0.000 2.656 489 Y HA 0.796 5.350 4.550 0.006 0.000 0.334 489 Y C -1.141 174.620 175.900 -0.231 0.000 1.179 489 Y CA -1.041 56.934 58.100 -0.208 0.000 1.050 489 Y CB 0.847 39.220 38.460 -0.145 0.000 1.308 489 Y HN 0.162 nan 8.280 nan 0.000 0.456 490 T N 1.718 116.153 114.554 -0.200 0.000 2.993 490 T HA 0.431 4.785 4.350 0.006 0.000 0.312 490 T C -0.819 173.618 174.700 -0.439 0.000 1.115 490 T CA -0.348 61.485 62.100 -0.445 0.000 1.027 490 T CB 2.126 70.289 68.868 -1.175 0.000 1.116 490 T HN 0.968 nan 8.240 nan 0.000 0.464 491 E N 0.536 120.569 120.200 -0.278 0.000 3.259 491 E HA -0.274 4.079 4.350 0.006 0.000 0.332 491 E C 1.054 177.560 176.600 -0.156 0.000 1.477 491 E CA 1.515 57.804 56.400 -0.184 0.000 1.742 491 E CB -1.290 28.389 29.700 -0.034 0.000 1.842 491 E HN 0.674 nan 8.360 nan 0.000 0.499 492 T N 0.975 115.472 114.554 -0.096 0.000 2.833 492 T HA -0.125 4.229 4.350 0.006 0.000 0.269 492 T C 1.419 176.053 174.700 -0.111 0.000 1.054 492 T CA 1.389 63.452 62.100 -0.063 0.000 1.135 492 T CB -0.097 68.754 68.868 -0.028 0.000 0.869 492 T HN 0.164 nan 8.240 nan 0.000 0.466 493 K N 0.873 121.174 120.400 -0.164 0.000 2.281 493 K HA -0.001 4.323 4.320 0.006 0.000 0.203 493 K C 2.319 178.806 176.600 -0.188 0.000 1.046 493 K CA 0.975 57.166 56.287 -0.160 0.000 0.938 493 K CB -0.535 31.846 32.500 -0.198 0.000 0.737 493 K HN 0.468 nan 8.250 nan 0.000 0.458 494 G N 0.791 109.459 108.800 -0.221 0.000 2.777 494 G HA2 -0.076 3.888 3.960 0.006 0.000 0.211 494 G HA3 -0.076 3.888 3.960 0.006 0.000 0.211 494 G C 0.006 174.622 174.900 -0.473 0.000 1.149 494 G CA -0.245 44.514 45.100 -0.568 0.000 0.785 494 G HN 0.163 nan 8.290 nan 0.000 0.536 495 D N 1.029 121.295 120.400 -0.223 0.000 2.493 495 D HA 0.180 4.823 4.640 0.006 0.000 0.240 495 D C -0.139 176.069 176.300 -0.153 0.000 1.142 495 D CA 0.607 54.537 54.000 -0.117 0.000 0.872 495 D CB 0.770 41.553 40.800 -0.029 0.000 1.173 495 D HN 0.140 nan 8.370 nan 0.000 0.467 496 N N 2.724 121.348 118.700 -0.126 0.000 2.616 496 N HA 0.081 4.825 4.740 0.006 0.000 0.281 496 N C -0.064 175.389 175.510 -0.095 0.000 1.145 496 N CA -0.371 52.599 53.050 -0.132 0.000 0.919 496 N CB 0.862 39.234 38.487 -0.193 0.000 1.509 496 N HN 0.201 nan 8.380 nan 0.000 0.537 497 L N 2.337 123.509 121.223 -0.084 0.000 2.492 497 L HA 0.061 4.405 4.340 0.006 0.000 0.223 497 L C 1.415 178.229 176.870 -0.093 0.000 1.132 497 L CA 0.750 55.539 54.840 -0.085 0.000 0.850 497 L CB -0.106 41.912 42.059 -0.069 0.000 0.966 497 L HN 0.573 nan 8.230 nan 0.000 0.454 498 N N -0.496 118.159 118.700 -0.076 0.000 2.407 498 N HA 0.006 4.750 4.740 0.006 0.000 0.182 498 N C 0.881 176.377 175.510 -0.024 0.000 1.079 498 N CA -0.274 52.743 53.050 -0.055 0.000 0.882 498 N CB -0.001 38.463 38.487 -0.038 0.000 1.106 498 N HN 0.029 nan 8.380 nan 0.000 0.461 499 L N 1.164 122.374 121.223 -0.021 0.000 3.742 499 L HA -0.204 4.140 4.340 0.006 0.000 0.431 499 L C -0.737 176.192 176.870 0.099 0.000 1.220 499 L CA 0.805 55.675 54.840 0.051 0.000 0.863 499 L CB -2.684 39.452 42.059 0.128 0.000 1.751 499 L HN 0.633 nan 8.230 nan 0.000 0.922 500 T N -1.853 112.725 114.554 0.039 0.000 2.824 500 T HA 0.706 5.060 4.350 0.006 0.000 0.280 500 T C 0.278 174.975 174.700 -0.004 0.000 0.995 500 T CA -0.889 61.234 62.100 0.038 0.000 1.009 500 T CB 2.286 71.170 68.868 0.026 0.000 0.955 500 T HN 0.325 nan 8.240 nan 0.000 0.452 501 I N 1.007 121.574 120.570 -0.005 0.000 2.696 501 I HA 0.457 4.631 4.170 0.006 0.000 0.284 501 I C -2.143 173.927 176.117 -0.078 0.000 1.129 501 I CA -2.138 59.130 61.300 -0.054 0.000 1.410 501 I CB -0.049 37.917 38.000 -0.057 0.000 1.399 501 I HN 0.394 nan 8.210 nan 0.000 0.579 502 P HA 0.105 nan 4.420 nan 0.000 0.269 502 P C -0.829 176.443 177.300 -0.047 0.000 1.215 502 P CA 0.067 63.079 63.100 -0.147 0.000 0.780 502 P CB 0.553 32.025 31.700 -0.380 0.000 0.898 503 E N 1.847 122.044 120.200 -0.005 0.000 2.214 503 E HA 0.374 4.727 4.350 0.006 0.000 0.274 503 E C -1.828 174.815 176.600 0.072 0.000 0.977 503 E CA -1.729 54.689 56.400 0.031 0.000 0.827 503 E CB 0.152 29.864 29.700 0.020 0.000 1.130 503 E HN 0.431 nan 8.360 nan 0.000 0.394 504 P HA 0.354 nan 4.420 nan 0.000 0.281 504 P C -0.074 177.273 177.300 0.078 0.000 1.252 504 P CA -0.282 62.856 63.100 0.063 0.000 0.778 504 P CB 1.528 33.259 31.700 0.052 0.000 0.895 505 G N 1.327 110.154 108.800 0.045 0.000 3.128 505 G HA2 -0.063 3.901 3.960 0.006 0.000 0.158 505 G HA3 -0.063 3.901 3.960 0.006 0.000 0.158 505 G C 0.722 175.630 174.900 0.013 0.000 1.289 505 G CA 0.065 45.185 45.100 0.034 0.000 0.829 505 G HN 0.457 nan 8.290 nan 0.000 0.618 506 L N 2.531 123.757 121.223 0.005 0.000 2.043 506 L HA -0.048 4.295 4.340 0.006 0.000 0.212 506 L C 2.985 179.858 176.870 0.005 0.000 1.075 506 L CA 3.187 58.028 54.840 0.001 0.000 0.752 506 L CB -0.611 41.450 42.059 0.002 0.000 0.891 506 L HN 0.393 nan 8.230 nan 0.000 0.432 507 S N -2.644 113.061 115.700 0.009 0.000 2.368 507 S HA -0.192 4.282 4.470 0.006 0.000 0.225 507 S C 1.855 176.460 174.600 0.007 0.000 1.030 507 S CA 1.551 59.756 58.200 0.009 0.000 0.999 507 S CB -1.295 61.911 63.200 0.010 0.000 0.844 507 S HN 0.547 nan 8.310 nan 0.000 0.459 508 T N 2.449 117.008 114.554 0.008 0.000 2.708 508 T HA -0.016 4.337 4.350 0.006 0.000 0.266 508 T C 1.950 176.651 174.700 0.002 0.000 1.037 508 T CA 1.397 63.498 62.100 0.002 0.000 1.146 508 T CB -0.679 68.193 68.868 0.008 0.000 0.865 508 T HN 0.276 nan 8.240 nan 0.000 0.435 509 V N 1.713 121.629 119.914 0.003 0.000 2.287 509 V HA -0.252 3.872 4.120 0.006 0.000 0.248 509 V C 2.651 178.746 176.094 0.002 0.000 1.053 509 V CA 1.755 64.055 62.300 -0.001 0.000 1.027 509 V CB -0.739 31.079 31.823 -0.009 0.000 0.646 509 V HN 0.524 nan 8.190 nan 0.000 0.447 510 Q N -0.353 119.449 119.800 0.004 0.000 2.084 510 Q HA -0.170 4.173 4.340 0.006 0.000 0.202 510 Q C 2.421 178.430 176.000 0.015 0.000 0.978 510 Q CA 1.764 57.572 55.803 0.007 0.000 0.844 510 Q CB -0.416 28.326 28.738 0.006 0.000 0.898 510 Q HN 0.689 nan 8.270 nan 0.000 0.426 511 A N 0.238 123.068 122.820 0.017 0.000 1.877 511 A HA -0.133 4.191 4.320 0.006 0.000 0.216 511 A C 2.318 179.927 177.584 0.041 0.000 1.186 511 A CA 1.360 53.414 52.037 0.029 0.000 0.620 511 A CB -0.656 18.358 19.000 0.024 0.000 0.822 511 A HN 0.204 nan 8.150 nan 0.000 0.443 512 V N -0.796 119.136 119.914 0.029 0.000 2.283 512 V HA -0.277 3.846 4.120 0.006 0.000 0.243 512 V C 2.629 178.745 176.094 0.037 0.000 1.039 512 V CA 2.037 64.356 62.300 0.032 0.000 1.016 512 V CB -1.009 30.816 31.823 0.004 0.000 0.650 512 V HN 0.696 nan 8.190 nan 0.000 0.449 513 c N 1.025 119.639 118.600 0.025 0.000 2.432 513 c HA -0.001 4.573 4.570 0.006 0.000 0.280 513 c C 2.810 176.918 174.090 0.030 0.000 1.353 513 c CA 0.494 56.837 56.329 0.024 0.000 1.766 513 c CB -1.744 40.772 42.510 0.009 0.000 1.924 513 c HN 0.696 nan 8.230 nan 0.000 0.509 514 G N 0.274 109.093 108.800 0.031 0.000 2.471 514 G HA2 0.119 4.083 3.960 0.006 0.000 0.219 514 G HA3 0.119 4.083 3.960 0.006 0.000 0.219 514 G C 1.605 176.531 174.900 0.044 0.000 1.125 514 G CA 1.139 46.259 45.100 0.033 0.000 0.775 514 G HN 0.592 nan 8.290 nan 0.000 0.548 515 G N -1.501 107.336 108.800 0.060 0.000 2.784 515 G HA2 0.404 4.368 3.960 0.006 0.000 0.208 515 G HA3 0.404 4.368 3.960 0.006 0.000 0.208 515 G C -0.198 174.757 174.900 0.091 0.000 1.120 515 G CA 0.790 45.937 45.100 0.078 0.000 0.774 515 G HN 0.478 nan 8.290 nan 0.000 0.528 516 V N -0.205 119.762 119.914 0.089 0.000 3.204 516 V HA 0.464 4.588 4.120 0.006 0.000 0.298 516 V C -1.073 175.074 176.094 0.088 0.000 1.328 516 V CA -1.320 61.043 62.300 0.104 0.000 1.035 516 V CB 2.156 34.070 31.823 0.151 0.000 1.095 516 V HN 0.275 nan 8.190 nan 0.000 0.442 517 R N 2.247 122.806 120.500 0.099 0.000 2.570 517 R HA 0.431 4.774 4.340 0.006 0.000 0.277 517 R C -0.345 176.012 176.300 0.094 0.000 1.039 517 R CA 0.494 56.643 56.100 0.082 0.000 1.065 517 R CB 0.119 30.469 30.300 0.084 0.000 0.964 517 R HN 0.872 nan 8.270 nan 0.000 0.428 518 c N -0.327 118.302 118.600 0.048 0.000 2.698 518 c HA 0.826 5.399 4.570 0.006 0.000 0.309 518 c C -0.183 173.904 174.090 -0.006 0.000 1.186 518 c CA -1.131 55.221 56.329 0.038 0.000 1.474 518 c CB 1.310 43.833 42.510 0.022 0.000 2.020 518 c HN 0.843 nan 8.230 nan 0.000 0.474 519 A N 2.822 125.634 122.820 -0.013 0.000 2.258 519 A HA 0.710 5.034 4.320 0.006 0.000 0.316 519 A C 0.177 177.738 177.584 -0.039 0.000 1.279 519 A CA -0.019 51.985 52.037 -0.055 0.000 0.876 519 A CB 0.250 19.196 19.000 -0.091 0.000 1.170 519 A HN 0.973 nan 8.150 nan 0.000 0.520 520 T N 2.387 116.906 114.554 -0.059 0.000 2.771 520 T HA 0.430 4.784 4.350 0.006 0.000 0.291 520 T C -0.119 174.541 174.700 -0.068 0.000 0.954 520 T CA -0.100 61.968 62.100 -0.053 0.000 1.045 520 T CB 0.863 69.692 68.868 -0.065 0.000 0.917 520 T HN 0.372 nan 8.240 nan 0.000 0.484 521 V N 5.286 125.177 119.914 -0.039 0.000 2.328 521 V HA 0.350 4.474 4.120 0.006 0.000 0.278 521 V C -0.209 175.849 176.094 -0.060 0.000 1.021 521 V CA -0.853 61.424 62.300 -0.039 0.000 0.838 521 V CB 1.107 32.936 31.823 0.010 0.000 0.999 521 V HN 0.649 nan 8.190 nan 0.000 0.447 522 L N 7.237 128.397 121.223 -0.105 0.000 2.257 522 L HA 0.536 4.879 4.340 0.006 0.000 0.290 522 L C -0.372 176.425 176.870 -0.122 0.000 1.044 522 L CA 0.233 55.001 54.840 -0.121 0.000 0.810 522 L CB 0.707 42.698 42.059 -0.114 0.000 1.193 522 L HN 0.396 nan 8.230 nan 0.000 0.425 523 I N 5.213 125.712 120.570 -0.118 0.000 2.312 523 I HA 0.479 4.652 4.170 0.006 0.000 0.290 523 I C 0.120 176.219 176.117 -0.031 0.000 1.008 523 I CA 0.045 61.326 61.300 -0.032 0.000 1.226 523 I CB 0.618 38.675 38.000 0.095 0.000 1.371 523 I HN 0.823 nan 8.210 nan 0.000 0.468 524 S N 3.052 118.773 115.700 0.035 0.000 2.588 524 S HA 0.592 5.066 4.470 0.006 0.000 0.269 524 S C 0.261 174.979 174.600 0.197 0.000 1.157 524 S CA -0.365 57.888 58.200 0.089 0.000 0.824 524 S CB 1.539 64.780 63.200 0.070 0.000 1.126 524 S HN 0.648 nan 8.310 nan 0.000 0.464 525 G N 0.255 109.180 108.800 0.208 0.000 3.042 525 G HA2 0.482 4.446 3.960 0.006 0.000 0.212 525 G HA3 0.482 4.446 3.960 0.006 0.000 0.212 525 G C 0.318 175.439 174.900 0.369 0.000 1.166 525 G CA -0.220 45.032 45.100 0.252 0.000 0.767 525 G HN 1.037 nan 8.290 nan 0.000 0.546 526 R N -2.252 118.470 120.500 0.370 0.000 2.828 526 R HA 0.280 4.623 4.340 0.006 0.000 0.280 526 R C -3.563 172.746 176.300 0.016 0.000 1.020 526 R CA -1.564 54.690 56.100 0.258 0.000 0.855 526 R CB -0.229 30.182 30.300 0.185 0.000 1.278 526 R HN -0.218 nan 8.270 nan 0.000 0.495 527 P HA 0.072 nan 4.420 nan 0.000 0.266 527 P C -0.407 176.560 177.300 -0.556 0.000 1.195 527 P CA -0.316 61.979 63.100 -1.341 0.000 0.768 527 P CB 0.738 31.468 31.700 -1.617 0.000 0.838 528 V N 0.328 120.009 119.914 -0.388 0.000 3.141 528 V HA 0.451 4.575 4.120 0.006 0.000 0.312 528 V C -0.144 176.074 176.094 0.206 0.000 1.157 528 V CA -1.289 61.071 62.300 0.101 0.000 1.041 528 V CB 1.660 33.559 31.823 0.126 0.000 1.071 528 V HN 0.155 nan 8.190 nan 0.000 0.441 529 V N 1.583 121.681 119.914 0.308 0.000 2.506 529 V HA 0.065 4.188 4.120 0.006 0.000 0.296 529 V C 1.032 177.246 176.094 0.201 0.000 1.004 529 V CA 1.340 63.809 62.300 0.282 0.000 1.150 529 V CB 0.792 32.753 31.823 0.231 0.000 0.911 529 V HN 0.871 nan 8.190 nan 0.000 0.476 530 V N 4.026 124.044 119.914 0.173 0.000 3.485 530 V HA 0.036 4.160 4.120 0.006 0.000 0.280 530 V C 1.713 177.788 176.094 -0.032 0.000 1.495 530 V CA 0.586 62.924 62.300 0.063 0.000 1.018 530 V CB 0.995 32.808 31.823 -0.016 0.000 0.818 530 V HN 0.941 nan 8.190 nan 0.000 0.436 531 Q N 1.367 121.151 119.800 -0.027 0.000 2.077 531 Q HA -0.180 4.164 4.340 0.006 0.000 0.206 531 Q C -0.431 175.546 176.000 -0.038 0.000 0.989 531 Q CA 2.911 58.681 55.803 -0.055 0.000 0.853 531 Q CB -1.524 27.184 28.738 -0.050 0.000 0.907 531 Q HN 0.522 nan 8.270 nan 0.000 0.418 532 P HA -0.146 nan 4.420 nan 0.000 0.217 532 P C 0.905 178.192 177.300 -0.022 0.000 1.150 532 P CA 1.045 64.137 63.100 -0.014 0.000 0.832 532 P CB 0.008 31.708 31.700 0.000 0.000 0.787 533 L N -1.634 119.574 121.223 -0.025 0.000 2.017 533 L HA -0.179 4.165 4.340 0.006 0.000 0.208 533 L C 2.275 179.111 176.870 -0.057 0.000 1.073 533 L CA 1.077 55.894 54.840 -0.039 0.000 0.745 533 L CB -1.039 40.994 42.059 -0.044 0.000 0.894 533 L HN -0.024 nan 8.230 nan 0.000 0.432 534 L N 0.065 121.245 121.223 -0.071 0.000 2.012 534 L HA -0.216 4.127 4.340 0.006 0.000 0.210 534 L C 2.813 179.651 176.870 -0.054 0.000 1.073 534 L CA 2.202 56.997 54.840 -0.074 0.000 0.748 534 L CB -1.469 40.544 42.059 -0.077 0.000 0.891 534 L HN 0.223 nan 8.230 nan 0.000 0.431 535 A N -1.005 121.788 122.820 -0.045 0.000 1.940 535 A HA -0.174 4.150 4.320 0.006 0.000 0.219 535 A C 2.408 179.977 177.584 -0.027 0.000 1.176 535 A CA 1.977 53.993 52.037 -0.034 0.000 0.631 535 A CB -0.771 18.212 19.000 -0.029 0.000 0.814 535 A HN 0.444 nan 8.150 nan 0.000 0.446 536 A N -0.923 121.882 122.820 -0.026 0.000 2.016 536 A HA 0.261 4.585 4.320 0.006 0.000 0.217 536 A C 1.385 178.957 177.584 -0.020 0.000 1.162 536 A CA 0.961 52.988 52.037 -0.018 0.000 0.662 536 A CB -0.269 18.723 19.000 -0.014 0.000 0.812 536 A HN 0.378 nan 8.150 nan 0.000 0.450 537 S N 0.520 116.201 115.700 -0.033 0.000 2.541 537 S HA 0.252 4.725 4.470 0.006 0.000 0.283 537 S C 0.102 174.678 174.600 -0.041 0.000 1.196 537 S CA -0.601 57.576 58.200 -0.039 0.000 1.062 537 S CB 1.295 64.459 63.200 -0.060 0.000 1.009 537 S HN 0.421 nan 8.310 nan 0.000 0.502 538 D N 1.393 121.771 120.400 -0.036 0.000 2.103 538 D HA 0.067 4.710 4.640 0.006 0.000 0.199 538 D C 0.641 176.901 176.300 -0.066 0.000 0.978 538 D CA 0.883 54.860 54.000 -0.039 0.000 0.829 538 D CB 0.217 41.002 40.800 -0.026 0.000 0.981 538 D HN 0.558 nan 8.370 nan 0.000 0.464 539 A N 0.285 123.054 122.820 -0.085 0.000 2.413 539 A HA 0.680 5.004 4.320 0.006 0.000 0.307 539 A C -1.279 176.219 177.584 -0.143 0.000 1.087 539 A CA -0.504 51.456 52.037 -0.129 0.000 0.750 539 A CB 1.998 20.908 19.000 -0.150 0.000 1.296 539 A HN 0.172 nan 8.150 nan 0.000 0.423 540 L N 1.846 122.952 121.223 -0.195 0.000 2.464 540 L HA 0.708 5.052 4.340 0.006 0.000 0.266 540 L C -1.687 175.013 176.870 -0.283 0.000 0.965 540 L CA -0.598 54.115 54.840 -0.211 0.000 0.833 540 L CB 2.177 44.110 42.059 -0.209 0.000 1.296 540 L HN 0.489 nan 8.230 nan 0.000 0.405 541 V N 3.992 123.761 119.914 -0.241 0.000 2.487 541 V HA 0.619 4.743 4.120 0.006 0.000 0.298 541 V C 0.236 176.181 176.094 -0.248 0.000 1.028 541 V CA -0.545 61.611 62.300 -0.240 0.000 0.860 541 V CB 1.678 33.440 31.823 -0.101 0.000 0.991 541 V HN 0.836 nan 8.190 nan 0.000 0.427 542 A N 3.741 126.358 122.820 -0.337 0.000 2.343 542 A HA 0.665 4.988 4.320 0.006 0.000 0.305 542 A C 1.033 178.246 177.584 -0.619 0.000 1.308 542 A CA 0.313 52.031 52.037 -0.532 0.000 0.949 542 A CB 0.553 19.144 19.000 -0.682 0.000 1.148 542 A HN 1.278 nan 8.150 nan 0.000 0.545 543 A N 2.662 125.230 122.820 -0.420 0.000 2.308 543 A HA 0.450 4.774 4.320 0.006 0.000 0.217 543 A C 0.682 178.239 177.584 -0.044 0.000 1.216 543 A CA 0.328 52.266 52.037 -0.165 0.000 0.864 543 A CB -0.803 18.189 19.000 -0.013 0.000 0.902 543 A HN 1.184 nan 8.150 nan 0.000 0.499 544 W N -1.811 119.561 121.300 0.119 0.000 1.922 544 W HA -0.296 4.368 4.660 0.006 0.000 0.275 544 W C 0.153 176.719 176.519 0.078 0.000 1.129 544 W CA 0.561 57.967 57.345 0.102 0.000 1.077 544 W CB -1.323 28.208 29.460 0.119 0.000 0.883 544 W HN 0.072 nan 8.180 nan 0.000 0.546 545 L N 2.540 123.981 121.223 0.364 0.000 2.445 545 L HA 0.238 4.582 4.340 0.006 0.000 0.252 545 L C -1.450 175.544 176.870 0.207 0.000 1.105 545 L CA -1.562 53.406 54.840 0.213 0.000 0.943 545 L CB 0.937 43.091 42.059 0.158 0.000 1.277 545 L HN 0.014 nan 8.230 nan 0.000 0.465 546 P HA 0.024 nan 4.420 nan 0.000 0.233 546 P C 0.850 178.201 177.300 0.085 0.000 1.167 546 P CA 0.903 64.092 63.100 0.148 0.000 0.770 546 P CB 0.762 32.538 31.700 0.126 0.000 0.837 547 G N 0.597 109.434 108.800 0.062 0.000 2.545 547 G HA2 -0.229 3.734 3.960 0.006 0.000 0.216 547 G HA3 -0.229 3.734 3.960 0.006 0.000 0.216 547 G C 0.874 175.738 174.900 -0.060 0.000 1.314 547 G CA 0.225 45.315 45.100 -0.018 0.000 0.906 547 G HN 0.212 nan 8.290 nan 0.000 0.563 548 S N -0.492 115.122 115.700 -0.142 0.000 2.489 548 S HA 0.143 4.617 4.470 0.006 0.000 0.228 548 S C 0.678 175.210 174.600 -0.112 0.000 0.995 548 S CA 1.721 59.838 58.200 -0.139 0.000 0.934 548 S CB 0.185 63.266 63.200 -0.198 0.000 0.771 548 S HN 0.601 nan 8.310 nan 0.000 0.522 549 E N 1.911 122.046 120.200 -0.109 0.000 2.206 549 E HA 0.346 4.700 4.350 0.006 0.000 0.244 549 E C 1.004 177.584 176.600 -0.034 0.000 1.055 549 E CA -0.165 56.185 56.400 -0.083 0.000 0.970 549 E CB 0.222 29.858 29.700 -0.108 0.000 1.256 549 E HN 0.473 nan 8.360 nan 0.000 0.456 550 G N 1.439 110.228 108.800 -0.019 0.000 2.498 550 G HA2 -0.285 3.678 3.960 0.006 0.000 0.219 550 G HA3 -0.285 3.678 3.960 0.006 0.000 0.219 550 G C 1.260 176.178 174.900 0.030 0.000 1.119 550 G CA 0.264 45.372 45.100 0.013 0.000 0.766 550 G HN 0.351 nan 8.290 nan 0.000 0.552 551 Q N -0.007 119.805 119.800 0.020 0.000 2.291 551 Q HA -0.016 4.328 4.340 0.006 0.000 0.206 551 Q C 2.739 178.766 176.000 0.044 0.000 0.976 551 Q CA 0.673 56.501 55.803 0.043 0.000 0.875 551 Q CB -0.211 28.545 28.738 0.030 0.000 0.927 551 Q HN 0.469 nan 8.270 nan 0.000 0.450 552 G N 0.198 109.007 108.800 0.015 0.000 2.442 552 G HA2 -0.239 3.725 3.960 0.006 0.000 0.219 552 G HA3 -0.239 3.725 3.960 0.006 0.000 0.219 552 G C 1.441 176.343 174.900 0.004 0.000 1.141 552 G CA 0.930 46.028 45.100 -0.004 0.000 0.763 552 G HN 0.227 nan 8.290 nan 0.000 0.554 553 V N 1.607 121.540 119.914 0.032 0.000 2.270 553 V HA -0.167 3.957 4.120 0.006 0.000 0.245 553 V C 3.301 179.415 176.094 0.033 0.000 1.043 553 V CA 2.419 64.742 62.300 0.038 0.000 1.014 553 V CB -1.076 30.784 31.823 0.061 0.000 0.645 553 V HN 0.627 nan 8.190 nan 0.000 0.447 554 T N -2.545 112.068 114.554 0.097 0.000 2.915 554 T HA -0.182 4.171 4.350 0.006 0.000 0.269 554 T C 1.500 176.331 174.700 0.218 0.000 1.071 554 T CA 1.315 63.538 62.100 0.204 0.000 1.132 554 T CB -0.451 68.634 68.868 0.361 0.000 0.878 554 T HN 0.363 nan 8.240 nan 0.000 0.479 555 D N 2.059 122.544 120.400 0.142 0.000 2.149 555 D HA -0.009 4.635 4.640 0.006 0.000 0.198 555 D C 2.295 178.654 176.300 0.098 0.000 0.990 555 D CA 1.529 55.638 54.000 0.183 0.000 0.839 555 D CB -0.440 40.486 40.800 0.208 0.000 0.948 555 D HN 0.614 nan 8.370 nan 0.000 0.460 556 A N 0.006 122.755 122.820 -0.118 0.000 1.911 556 A HA 0.058 4.381 4.320 0.006 0.000 0.212 556 A C 2.334 179.717 177.584 -0.334 0.000 1.189 556 A CA 0.210 51.962 52.037 -0.475 0.000 0.639 556 A CB -0.533 17.790 19.000 -1.127 0.000 0.839 556 A HN 0.153 nan 8.150 nan 0.000 0.449 557 L N -1.697 119.414 121.223 -0.186 0.000 2.079 557 L HA -0.152 4.192 4.340 0.006 0.000 0.210 557 L C 1.755 178.389 176.870 -0.393 0.000 1.081 557 L CA 1.313 56.006 54.840 -0.245 0.000 0.752 557 L CB -0.452 41.338 42.059 -0.448 0.000 0.896 557 L HN 0.431 nan 8.230 nan 0.000 0.433 558 F N -0.754 119.195 119.950 -0.002 0.000 2.693 558 F HA 0.268 4.798 4.527 0.006 0.000 0.303 558 F C 1.632 177.416 175.800 -0.025 0.000 1.097 558 F CA 0.363 58.357 58.000 -0.011 0.000 1.330 558 F CB 0.265 39.271 39.000 0.009 0.000 1.067 558 F HN 0.135 nan 8.300 nan 0.000 0.565 559 G N 0.427 109.270 108.800 0.071 0.000 2.143 559 G HA2 -0.313 3.651 3.960 0.006 0.000 0.248 559 G HA3 -0.313 3.651 3.960 0.006 0.000 0.248 559 G C 0.791 175.670 174.900 -0.036 0.000 0.991 559 G CA 0.546 45.658 45.100 0.019 0.000 0.689 559 G HN 0.304 nan 8.290 nan 0.000 0.522 560 D N -0.670 119.710 120.400 -0.034 0.000 2.178 560 D HA 0.083 4.726 4.640 0.006 0.000 0.201 560 D C 0.880 176.807 176.300 -0.622 0.000 0.980 560 D CA 1.142 54.993 54.000 -0.248 0.000 0.842 560 D CB 0.009 40.731 40.800 -0.130 0.000 0.948 560 D HN 0.499 nan 8.370 nan 0.000 0.472 561 F N -1.021 118.893 119.950 -0.061 0.000 2.613 561 F HA 0.537 5.068 4.527 0.006 0.000 0.314 561 F C 0.973 176.700 175.800 -0.121 0.000 1.075 561 F CA -1.300 56.654 58.000 -0.077 0.000 0.945 561 F CB 1.648 40.595 39.000 -0.088 0.000 1.310 561 F HN -0.296 nan 8.300 nan 0.000 0.467 562 G N 0.360 109.231 108.800 0.118 0.000 2.507 562 G HA2 0.439 4.403 3.960 0.006 0.000 0.271 562 G HA3 0.439 4.403 3.960 0.006 0.000 0.271 562 G C -1.147 173.766 174.900 0.022 0.000 1.189 562 G CA -0.407 44.733 45.100 0.066 0.000 0.859 562 G HN 0.372 nan 8.290 nan 0.000 0.542 563 F N 0.281 120.258 119.950 0.045 0.000 2.538 563 F HA 0.289 4.820 4.527 0.006 0.000 0.371 563 F C 1.806 177.619 175.800 0.021 0.000 1.087 563 F CA 0.875 58.891 58.000 0.026 0.000 1.250 563 F CB 1.580 40.574 39.000 -0.010 0.000 1.110 563 F HN 0.533 nan 8.300 nan 0.000 0.570 564 T N -1.119 113.554 114.554 0.200 0.000 3.046 564 T HA 0.257 4.611 4.350 0.006 0.000 0.270 564 T C 0.829 175.601 174.700 0.121 0.000 0.920 564 T CA 0.107 62.281 62.100 0.125 0.000 0.874 564 T CB -0.370 68.547 68.868 0.082 0.000 1.214 564 T HN 0.676 nan 8.240 nan 0.000 0.536 565 G N 1.544 110.446 108.800 0.170 0.000 2.491 565 G HA2 0.501 4.464 3.960 0.006 0.000 0.238 565 G HA3 0.501 4.464 3.960 0.006 0.000 0.238 565 G C -0.569 174.427 174.900 0.160 0.000 1.277 565 G CA -0.563 44.647 45.100 0.183 0.000 0.851 565 G HN 0.467 nan 8.290 nan 0.000 0.573 566 R N 0.976 121.573 120.500 0.161 0.000 2.686 566 R HA 0.277 4.620 4.340 0.006 0.000 0.286 566 R C -0.212 176.225 176.300 0.228 0.000 0.969 566 R CA -0.973 55.220 56.100 0.156 0.000 0.898 566 R CB 2.110 32.472 30.300 0.104 0.000 1.183 566 R HN 0.405 nan 8.270 nan 0.000 0.456 567 L N 4.552 125.957 121.223 0.302 0.000 2.601 567 L HA 0.011 4.355 4.340 0.006 0.000 0.277 567 L C -1.264 175.741 176.870 0.225 0.000 1.219 567 L CA -0.622 54.444 54.840 0.377 0.000 0.915 567 L CB 0.347 42.682 42.059 0.461 0.000 1.160 567 L HN 0.419 nan 8.230 nan 0.000 0.494 568 P HA 0.085 nan 4.420 nan 0.000 0.255 568 P C -0.078 177.257 177.300 0.058 0.000 1.248 568 P CA 0.436 63.557 63.100 0.036 0.000 0.807 568 P CB 0.594 32.242 31.700 -0.085 0.000 1.150 569 R N -1.446 119.129 120.500 0.126 0.000 2.774 569 R HA 0.429 4.772 4.340 0.006 0.000 0.272 569 R C -0.447 176.007 176.300 0.257 0.000 1.000 569 R CA -0.620 55.572 56.100 0.154 0.000 0.906 569 R CB 1.127 31.489 30.300 0.104 0.000 1.227 569 R HN -0.231 nan 8.270 nan 0.000 0.468 570 T N 1.521 116.240 114.554 0.276 0.000 2.916 570 T HA 0.025 4.379 4.350 0.006 0.000 0.303 570 T C -0.608 174.269 174.700 0.295 0.000 1.025 570 T CA 0.248 62.558 62.100 0.349 0.000 1.142 570 T CB 0.467 69.585 68.868 0.417 0.000 0.947 570 T HN 0.218 nan 8.240 nan 0.000 0.544 571 W N 6.928 128.321 121.300 0.156 0.000 2.291 571 W HA 0.356 5.020 4.660 0.006 0.000 0.312 571 W C -0.721 175.733 176.519 -0.109 0.000 1.061 571 W CA -2.187 55.155 57.345 -0.004 0.000 1.296 571 W CB 0.075 29.600 29.460 0.108 0.000 1.223 571 W HN 0.630 nan 8.180 nan 0.000 0.421 572 F N 3.313 123.388 119.950 0.208 0.000 2.444 572 F HA 0.299 4.830 4.527 0.006 0.000 0.331 572 F C 1.198 177.091 175.800 0.156 0.000 1.167 572 F CA -0.404 57.664 58.000 0.115 0.000 1.262 572 F CB 0.489 39.513 39.000 0.040 0.000 1.196 572 F HN 0.254 nan 8.300 nan 0.000 0.583 573 K N 0.421 120.981 120.400 0.265 0.000 2.076 573 K HA 0.071 4.395 4.320 0.006 0.000 0.204 573 K C 0.038 176.812 176.600 0.291 0.000 1.051 573 K CA 1.290 57.670 56.287 0.154 0.000 0.949 573 K CB -0.083 32.436 32.500 0.032 0.000 0.726 573 K HN 0.839 nan 8.250 nan 0.000 0.443 574 S N -1.280 114.631 115.700 0.350 0.000 2.570 574 S HA 0.165 4.638 4.470 0.006 0.000 0.270 574 S C 0.724 175.299 174.600 -0.042 0.000 1.149 574 S CA -0.690 57.644 58.200 0.224 0.000 0.837 574 S CB 1.587 64.835 63.200 0.079 0.000 1.124 574 S HN -0.065 nan 8.310 nan 0.000 0.465 575 V N -1.074 118.703 119.914 -0.228 0.000 2.759 575 V HA -0.044 4.079 4.120 0.006 0.000 0.256 575 V C 1.746 177.688 176.094 -0.253 0.000 1.080 575 V CA 1.938 63.963 62.300 -0.459 0.000 1.101 575 V CB -1.401 30.200 31.823 -0.371 0.000 0.698 575 V HN 0.966 nan 8.190 nan 0.000 0.477 576 D N 0.259 120.576 120.400 -0.139 0.000 2.378 576 D HA -0.192 4.452 4.640 0.006 0.000 0.222 576 D C 1.896 178.138 176.300 -0.096 0.000 0.980 576 D CA 1.068 55.007 54.000 -0.101 0.000 0.907 576 D CB -0.538 40.222 40.800 -0.065 0.000 0.899 576 D HN 0.611 nan 8.370 nan 0.000 0.527 577 Q N -0.215 119.528 119.800 -0.095 0.000 2.378 577 Q HA 0.125 4.468 4.340 0.006 0.000 0.205 577 Q C 0.616 176.564 176.000 -0.086 0.000 0.954 577 Q CA 0.191 55.951 55.803 -0.072 0.000 0.901 577 Q CB 0.311 29.042 28.738 -0.011 0.000 0.981 577 Q HN 0.378 nan 8.270 nan 0.000 0.483 578 L N 3.074 124.219 121.223 -0.129 0.000 2.397 578 L HA 0.214 4.557 4.340 0.006 0.000 0.271 578 L C -1.882 174.938 176.870 -0.082 0.000 1.148 578 L CA -1.855 52.918 54.840 -0.113 0.000 0.825 578 L CB -0.034 41.905 42.059 -0.200 0.000 1.117 578 L HN -0.008 nan 8.230 nan 0.000 0.456 579 P HA 0.210 nan 4.420 nan 0.000 0.279 579 P C -1.020 176.305 177.300 0.042 0.000 1.239 579 P CA -0.415 62.686 63.100 0.002 0.000 0.789 579 P CB 1.433 33.144 31.700 0.018 0.000 0.933 580 M N 2.823 122.486 119.600 0.106 0.000 2.182 580 M HA 0.310 4.794 4.480 0.006 0.000 0.266 580 M C -1.826 174.651 176.300 0.294 0.000 0.989 580 M CA -0.276 55.145 55.300 0.202 0.000 1.003 580 M CB 1.055 33.763 32.600 0.181 0.000 1.812 580 M HN 0.258 nan 8.290 nan 0.000 0.472 581 N N 1.878 120.740 118.700 0.271 0.000 2.328 581 N HA 0.632 5.375 4.740 0.006 0.000 0.299 581 N C -0.862 174.613 175.510 -0.058 0.000 1.179 581 N CA -0.864 52.297 53.050 0.185 0.000 0.793 581 N CB 2.163 40.699 38.487 0.082 0.000 1.366 581 N HN 0.427 nan 8.380 nan 0.000 0.493 582 V N -0.387 119.388 119.914 -0.231 0.000 2.720 582 V HA 0.330 4.454 4.120 0.006 0.000 0.307 582 V C 1.399 177.239 176.094 -0.422 0.000 1.071 582 V CA 0.564 62.461 62.300 -0.670 0.000 1.199 582 V CB -0.250 31.399 31.823 -0.290 0.000 0.900 582 V HN 1.017 nan 8.190 nan 0.000 0.494 583 G N 2.336 110.849 108.800 -0.479 0.000 2.195 583 G HA2 -0.204 3.760 3.960 0.006 0.000 0.246 583 G HA3 -0.204 3.760 3.960 0.006 0.000 0.246 583 G C -0.121 174.691 174.900 -0.146 0.000 0.984 583 G CA 0.153 45.118 45.100 -0.224 0.000 0.633 583 G HN 0.888 nan 8.290 nan 0.000 0.525 584 D N 0.324 120.646 120.400 -0.131 0.000 2.414 584 D HA 0.578 5.221 4.640 0.006 0.000 0.242 584 D C 1.607 177.899 176.300 -0.013 0.000 1.129 584 D CA 0.626 54.632 54.000 0.009 0.000 0.885 584 D CB 1.083 42.011 40.800 0.214 0.000 1.198 584 D HN 0.410 nan 8.370 nan 0.000 0.437 585 A N 2.922 125.644 122.820 -0.162 0.000 1.883 585 A HA -0.187 4.137 4.320 0.006 0.000 0.217 585 A C 0.431 177.939 177.584 -0.128 0.000 1.186 585 A CA 1.368 53.275 52.037 -0.216 0.000 0.624 585 A CB -0.853 17.931 19.000 -0.361 0.000 0.822 585 A HN 0.723 nan 8.150 nan 0.000 0.444 586 H N -3.232 115.897 119.070 0.098 0.000 2.741 586 H HA 0.586 5.146 4.556 0.006 0.000 0.282 586 H C -1.244 174.200 175.328 0.193 0.000 1.122 586 H CA -1.279 54.835 56.048 0.109 0.000 1.293 586 H CB -0.548 29.257 29.762 0.071 0.000 1.415 586 H HN 0.284 nan 8.280 nan 0.000 0.472 587 Y N 2.514 122.904 120.300 0.149 0.000 2.349 587 Y HA 0.307 4.861 4.550 0.006 0.000 0.324 587 Y C -1.041 174.912 175.900 0.088 0.000 1.005 587 Y CA -1.457 56.714 58.100 0.118 0.000 1.240 587 Y CB 1.523 40.039 38.460 0.094 0.000 1.117 587 Y HN 0.740 nan 8.280 nan 0.000 0.463 588 D N 8.267 128.535 120.400 -0.220 0.000 2.613 588 D HA 0.298 4.941 4.640 0.006 0.000 0.312 588 D C -3.009 173.125 176.300 -0.278 0.000 1.202 588 D CA -1.934 51.949 54.000 -0.196 0.000 0.825 588 D CB 1.025 41.788 40.800 -0.063 0.000 1.113 588 D HN 0.195 nan 8.370 nan 0.000 0.502 589 P HA 0.065 nan 4.420 nan 0.000 0.276 589 P C 0.936 178.089 177.300 -0.245 0.000 1.244 589 P CA -0.652 62.251 63.100 -0.329 0.000 0.801 589 P CB 1.821 33.270 31.700 -0.417 0.000 1.006 590 L N 1.708 122.802 121.223 -0.215 0.000 2.027 590 L HA 0.149 4.493 4.340 0.006 0.000 0.206 590 L C 0.394 176.756 176.870 -0.848 0.000 1.074 590 L CA 1.843 56.389 54.840 -0.491 0.000 0.745 590 L CB -0.497 41.289 42.059 -0.455 0.000 0.898 590 L HN 0.268 nan 8.230 nan 0.000 0.433 591 F N 0.216 120.064 119.950 -0.170 0.000 2.539 591 F HA 0.411 4.942 4.527 0.006 0.000 0.318 591 F C 0.103 175.912 175.800 0.016 0.000 1.135 591 F CA -1.143 56.704 58.000 -0.256 0.000 0.915 591 F CB 0.918 39.656 39.000 -0.437 0.000 1.176 591 F HN -0.078 nan 8.300 nan 0.000 0.440 592 R N 2.767 123.416 120.500 0.248 0.000 2.738 592 R HA 0.405 4.748 4.340 0.006 0.000 0.268 592 R C -0.376 176.168 176.300 0.406 0.000 1.062 592 R CA -0.773 55.539 56.100 0.352 0.000 1.158 592 R CB 0.884 31.402 30.300 0.363 0.000 1.046 592 R HN 0.831 nan 8.270 nan 0.000 0.493 593 L N 1.670 123.134 121.223 0.402 0.000 2.540 593 L HA 0.098 4.442 4.340 0.006 0.000 0.276 593 L C 1.052 178.079 176.870 0.262 0.000 1.212 593 L CA 1.864 56.886 54.840 0.304 0.000 0.893 593 L CB 0.342 42.535 42.059 0.223 0.000 1.138 593 L HN 1.096 nan 8.230 nan 0.000 0.491 594 G N 2.496 111.441 108.800 0.242 0.000 2.194 594 G HA2 -0.363 3.601 3.960 0.006 0.000 0.236 594 G HA3 -0.363 3.601 3.960 0.006 0.000 0.236 594 G C -0.012 175.013 174.900 0.209 0.000 0.987 594 G CA 0.195 45.410 45.100 0.191 0.000 0.635 594 G HN 0.783 nan 8.290 nan 0.000 0.520 595 Y N 1.632 122.025 120.300 0.156 0.000 2.511 595 Y HA 0.421 4.975 4.550 0.006 0.000 0.332 595 Y C 0.662 176.598 175.900 0.060 0.000 1.177 595 Y CA 1.145 59.318 58.100 0.121 0.000 1.422 595 Y CB 0.977 39.542 38.460 0.176 0.000 1.271 595 Y HN 0.820 nan 8.280 nan 0.000 0.550 596 G N 6.639 115.058 108.800 -0.636 0.000 2.617 596 G HA2 0.325 4.289 3.960 0.006 0.000 0.305 596 G HA3 0.325 4.289 3.960 0.006 0.000 0.305 596 G C -1.898 172.682 174.900 -0.533 0.000 1.436 596 G CA -1.011 43.808 45.100 -0.468 0.000 1.036 596 G HN 0.792 nan 8.290 nan 0.000 0.589 597 L N 1.376 122.295 121.223 -0.506 0.000 2.453 597 L HA 0.669 5.013 4.340 0.006 0.000 0.261 597 L C 1.208 177.979 176.870 -0.166 0.000 1.179 597 L CA -0.492 54.157 54.840 -0.319 0.000 0.813 597 L CB 1.309 43.205 42.059 -0.272 0.000 1.110 597 L HN 0.722 nan 8.230 nan 0.000 0.466 598 T N -2.215 112.288 114.554 -0.085 0.000 2.930 598 T HA 0.749 5.102 4.350 0.006 0.000 0.290 598 T C -0.294 174.441 174.700 0.060 0.000 1.052 598 T CA -0.682 61.434 62.100 0.027 0.000 1.017 598 T CB 2.041 70.927 68.868 0.030 0.000 1.137 598 T HN 0.730 nan 8.240 nan 0.000 0.511 599 T N -0.726 113.923 114.554 0.158 0.000 2.887 599 T HA 0.640 4.994 4.350 0.006 0.000 0.292 599 T C -0.859 173.904 174.700 0.104 0.000 1.087 599 T CA -1.061 61.121 62.100 0.137 0.000 1.009 599 T CB 1.130 70.137 68.868 0.232 0.000 1.203 599 T HN 0.708 nan 8.240 nan 0.000 0.518 600 N N -0.222 118.519 118.700 0.067 0.000 2.370 600 N HA 0.626 5.370 4.740 0.006 0.000 0.303 600 N C -0.367 175.159 175.510 0.027 0.000 1.103 600 N CA -0.916 52.161 53.050 0.044 0.000 0.848 600 N CB 1.482 39.986 38.487 0.027 0.000 1.235 600 N HN 1.009 nan 8.380 nan 0.000 0.496 601 A N 0.952 123.774 122.820 0.003 0.000 2.540 601 A HA 0.133 4.457 4.320 0.006 0.000 0.239 601 A C 0.950 178.512 177.584 -0.038 0.000 1.061 601 A CA -0.138 51.872 52.037 -0.045 0.000 0.758 601 A CB -0.448 18.485 19.000 -0.112 0.000 0.991 601 A HN 0.710 nan 8.150 nan 0.000 0.502 602 T N 0.000 114.532 114.554 -0.037 0.000 3.816 602 T HA 0.000 4.354 4.350 0.006 0.000 0.228 602 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 602 T CB 0.000 68.864 68.868 -0.006 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658