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 2rkv_1_A DATA FIRST_RESID 2 DATA SEQUENCE AFKIQLDTLG QLPGLLSIYT QISLLYPVSD SSQYPTIVST FEQGLKRFSE DATA SEQUENCE AVPWVAGQVK AEGISEGNTG TSFIVPFEDV PRVVVKDLRD DPSAPTIEGM DATA SEQUENCE RKAGYPMAMF DENIIAPRKT LPIGPGTGPD DPKPVILLQL NFIKGGLILT DATA SEQUENCE VNGQHGAMDM VGQDAVIRLL SKACRNDPFT EEEMTAMNLD RKTIVPYLEN DATA SEQUENCE YTIGPEVDHQ IVKADVAGXX XXXXXVSASW AFFTFSPKAM SELKDAATKT DATA SEQUENCE LDASTKFVST DDALSAFIWK SASRVRLERI DGSAPTEFCR AVDARPAMGV DATA SEQUENCE SNNYPGLLQN MTYHNSTIGE IANESLGATA SRLRSELDPA SMRQRTRGLA DATA SEQUENCE TYLHNNPDKS NVSLTADADP STSVMLSSWA KVGLWDYDFG LGLGKPETVR DATA SEQUENCE RPIFEPVESL MYFMPKKPDG EFCAALSLRD EDMDRLKADK EWTKYAQYVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.622 177.584 0.063 0.000 1.274 2 A CA 0.000 51.967 52.037 -0.116 0.000 0.836 2 A CB 0.000 18.946 19.000 -0.090 0.000 0.831 3 F N -1.135 118.856 119.950 0.068 0.000 2.703 3 F HA 0.827 5.355 4.527 0.002 0.000 0.308 3 F C -0.814 175.027 175.800 0.067 0.000 1.126 3 F CA -0.775 57.274 58.000 0.081 0.000 0.959 3 F CB 1.857 40.936 39.000 0.131 0.000 1.297 3 F HN 0.611 nan 8.300 nan 0.000 0.441 4 K N 3.403 123.967 120.400 0.273 0.000 2.803 4 K HA 0.562 4.883 4.320 0.002 0.000 0.229 4 K C -2.119 174.663 176.600 0.302 0.000 1.084 4 K CA -0.281 56.128 56.287 0.203 0.000 1.063 4 K CB 0.864 33.359 32.500 -0.008 0.000 1.254 4 K HN 0.807 nan 8.250 nan 0.000 0.551 5 I N 3.475 124.235 120.570 0.318 0.000 2.307 5 I HA 0.165 4.336 4.170 0.002 0.000 0.289 5 I C 0.273 176.477 176.117 0.145 0.000 1.021 5 I CA -0.762 60.633 61.300 0.159 0.000 1.224 5 I CB 1.533 39.485 38.000 -0.080 0.000 1.376 5 I HN 0.524 nan 8.210 nan 0.000 0.470 6 Q N 5.936 125.801 119.800 0.109 0.000 2.330 6 Q HA 0.195 4.536 4.340 0.002 0.000 0.279 6 Q C -0.435 175.417 176.000 -0.247 0.000 1.024 6 Q CA -0.199 55.407 55.803 -0.328 0.000 0.900 6 Q CB 0.811 29.360 28.738 -0.315 0.000 1.221 6 Q HN 0.561 nan 8.270 nan 0.000 0.396 7 L N 3.065 124.107 121.223 -0.302 0.000 2.482 7 L HA 0.016 4.358 4.340 0.002 0.000 0.273 7 L C 0.489 177.284 176.870 -0.125 0.000 1.228 7 L CA -0.051 54.679 54.840 -0.184 0.000 0.827 7 L CB 0.172 42.136 42.059 -0.159 0.000 1.099 7 L HN 0.742 nan 8.230 nan 0.000 0.494 8 D N 1.053 121.415 120.400 -0.063 0.000 2.548 8 D HA -0.081 4.560 4.640 0.002 0.000 0.231 8 D C 1.138 177.434 176.300 -0.006 0.000 1.142 8 D CA 0.332 54.329 54.000 -0.005 0.000 0.866 8 D CB 0.982 41.810 40.800 0.047 0.000 1.190 8 D HN 0.607 nan 8.370 nan 0.000 0.469 9 T N 2.494 117.065 114.554 0.030 0.000 2.759 9 T HA -0.152 4.199 4.350 0.002 0.000 0.269 9 T C 2.091 176.829 174.700 0.064 0.000 1.042 9 T CA 0.842 62.987 62.100 0.074 0.000 1.140 9 T CB -0.050 68.930 68.868 0.188 0.000 0.864 9 T HN 0.344 nan 8.240 nan 0.000 0.455 10 L N 0.593 121.854 121.223 0.063 0.000 2.191 10 L HA 0.014 4.356 4.340 0.002 0.000 0.212 10 L C 2.789 179.681 176.870 0.035 0.000 1.103 10 L CA 1.082 55.958 54.840 0.059 0.000 0.769 10 L CB -0.667 41.431 42.059 0.065 0.000 0.908 10 L HN 0.337 nan 8.230 nan 0.000 0.438 11 G N -1.306 107.506 108.800 0.020 0.000 2.848 11 G HA2 -0.113 3.849 3.960 0.002 0.000 0.208 11 G HA3 -0.113 3.849 3.960 0.002 0.000 0.208 11 G C 1.334 176.220 174.900 -0.023 0.000 1.152 11 G CA -0.111 44.988 45.100 -0.002 0.000 0.789 11 G HN 0.293 nan 8.290 nan 0.000 0.531 12 Q N -0.040 119.751 119.800 -0.015 0.000 2.444 12 Q HA 0.188 4.530 4.340 0.002 0.000 0.206 12 Q C 0.759 176.756 176.000 -0.004 0.000 0.948 12 Q CA -0.142 55.648 55.803 -0.022 0.000 0.946 12 Q CB 0.214 28.939 28.738 -0.023 0.000 1.027 12 Q HN 0.422 nan 8.270 nan 0.000 0.513 13 L N 2.982 124.206 121.223 0.003 0.000 2.559 13 L HA -0.062 4.280 4.340 0.002 0.000 0.274 13 L C -1.222 175.642 176.870 -0.009 0.000 1.205 13 L CA -0.833 54.010 54.840 0.006 0.000 0.907 13 L CB 0.135 42.193 42.059 -0.002 0.000 1.153 13 L HN -0.061 nan 8.230 nan 0.000 0.490 14 P HA -0.165 nan 4.420 nan 0.000 0.216 14 P C 1.437 178.734 177.300 -0.004 0.000 1.150 14 P CA 1.372 64.474 63.100 0.002 0.000 0.843 14 P CB 0.191 31.899 31.700 0.014 0.000 0.787 15 G N -0.305 108.489 108.800 -0.010 0.000 2.418 15 G HA2 -0.209 3.753 3.960 0.002 0.000 0.217 15 G HA3 -0.209 3.753 3.960 0.002 0.000 0.217 15 G C 1.468 176.338 174.900 -0.051 0.000 1.158 15 G CA 0.498 45.588 45.100 -0.016 0.000 0.771 15 G HN 0.230 nan 8.290 nan 0.000 0.545 16 L N -0.072 121.092 121.223 -0.098 0.000 2.156 16 L HA 0.103 4.445 4.340 0.002 0.000 0.208 16 L C 2.708 179.534 176.870 -0.073 0.000 1.095 16 L CA 0.302 55.044 54.840 -0.162 0.000 0.770 16 L CB -0.332 41.605 42.059 -0.203 0.000 0.914 16 L HN 0.167 nan 8.230 nan 0.000 0.439 17 L N -0.244 120.948 121.223 -0.052 0.000 2.456 17 L HA -0.114 4.228 4.340 0.002 0.000 0.224 17 L C 2.218 179.064 176.870 -0.040 0.000 1.148 17 L CA 1.037 55.849 54.840 -0.047 0.000 0.825 17 L CB -0.274 41.768 42.059 -0.029 0.000 0.937 17 L HN 0.371 nan 8.230 nan 0.000 0.450 18 S N -1.843 113.848 115.700 -0.016 0.000 2.539 18 S HA 0.322 4.793 4.470 0.002 0.000 0.221 18 S C 0.459 175.089 174.600 0.050 0.000 0.987 18 S CA -0.468 57.746 58.200 0.024 0.000 0.929 18 S CB 0.139 63.364 63.200 0.041 0.000 0.832 18 S HN 0.142 nan 8.310 nan 0.000 0.492 19 I N 1.480 122.053 120.570 0.005 0.000 2.493 19 I HA 0.470 4.641 4.170 0.002 0.000 0.298 19 I C -1.246 174.840 176.117 -0.052 0.000 0.998 19 I CA -1.166 60.165 61.300 0.052 0.000 1.137 19 I CB 1.746 39.797 38.000 0.086 0.000 1.310 19 I HN 0.093 nan 8.210 nan 0.000 0.445 20 Y N 2.691 122.999 120.300 0.013 0.000 2.335 20 Y HA 0.312 4.863 4.550 0.002 0.000 0.338 20 Y C 0.339 176.199 175.900 -0.067 0.000 0.977 20 Y CA -0.562 57.525 58.100 -0.021 0.000 1.114 20 Y CB 2.002 40.436 38.460 -0.043 0.000 1.182 20 Y HN 0.387 nan 8.280 nan 0.000 0.463 21 T N 4.853 119.414 114.554 0.013 0.000 2.761 21 T HA 0.280 4.631 4.350 0.002 0.000 0.296 21 T C -0.369 174.285 174.700 -0.077 0.000 0.934 21 T CA -0.609 61.450 62.100 -0.068 0.000 1.091 21 T CB 0.176 68.905 68.868 -0.232 0.000 0.896 21 T HN 0.514 nan 8.240 nan 0.000 0.515 22 Q N 2.067 121.815 119.800 -0.088 0.000 2.309 22 Q HA 0.760 5.102 4.340 0.002 0.000 0.264 22 Q C -0.974 174.971 176.000 -0.092 0.000 1.008 22 Q CA -0.924 54.832 55.803 -0.079 0.000 0.853 22 Q CB 2.405 31.101 28.738 -0.070 0.000 1.314 22 Q HN 0.529 nan 8.270 nan 0.000 0.448 23 I N 0.215 120.726 120.570 -0.099 0.000 2.752 23 I HA 0.384 4.556 4.170 0.002 0.000 0.295 23 I C -1.470 174.597 176.117 -0.084 0.000 1.219 23 I CA -0.095 61.143 61.300 -0.103 0.000 1.030 23 I CB 2.601 40.489 38.000 -0.187 0.000 1.259 23 I HN 0.554 nan 8.210 nan 0.000 0.423 24 S N 6.651 122.278 115.700 -0.121 0.000 2.482 24 S HA 0.796 5.267 4.470 0.002 0.000 0.303 24 S C -1.200 173.306 174.600 -0.155 0.000 1.091 24 S CA -0.488 57.667 58.200 -0.074 0.000 1.057 24 S CB 1.479 64.715 63.200 0.061 0.000 1.031 24 S HN 0.386 nan 8.310 nan 0.000 0.485 25 L N 2.963 124.132 121.223 -0.089 0.000 2.333 25 L HA 0.583 4.925 4.340 0.002 0.000 0.280 25 L C -0.738 176.047 176.870 -0.142 0.000 1.004 25 L CA -0.407 54.303 54.840 -0.215 0.000 0.820 25 L CB 1.368 43.349 42.059 -0.130 0.000 1.247 25 L HN 0.563 nan 8.230 nan 0.000 0.416 26 L N 4.239 125.310 121.223 -0.255 0.000 2.295 26 L HA 0.598 4.940 4.340 0.002 0.000 0.285 26 L C -1.422 175.267 176.870 -0.301 0.000 1.035 26 L CA 0.055 54.838 54.840 -0.095 0.000 0.806 26 L CB 0.760 42.847 42.059 0.047 0.000 1.214 26 L HN 0.405 nan 8.230 nan 0.000 0.426 27 Y N 5.281 125.605 120.300 0.041 0.000 2.462 27 Y HA 0.599 5.150 4.550 0.002 0.000 0.346 27 Y C -2.210 173.725 175.900 0.058 0.000 0.976 27 Y CA -2.221 55.906 58.100 0.044 0.000 1.044 27 Y CB 1.654 40.142 38.460 0.046 0.000 1.230 27 Y HN 0.533 nan 8.280 nan 0.000 0.455 28 P HA 0.165 nan 4.420 nan 0.000 0.275 28 P C -0.944 176.412 177.300 0.094 0.000 1.228 28 P CA -0.139 63.043 63.100 0.136 0.000 0.786 28 P CB 1.768 33.534 31.700 0.109 0.000 0.927 29 V N 2.432 122.366 119.914 0.034 0.000 2.409 29 V HA 0.083 4.205 4.120 0.002 0.000 0.290 29 V C 1.696 177.734 176.094 -0.092 0.000 1.017 29 V CA -0.065 62.180 62.300 -0.092 0.000 0.841 29 V CB 1.111 32.785 31.823 -0.247 0.000 1.003 29 V HN 0.721 nan 8.190 nan 0.000 0.426 30 S N 2.159 117.805 115.700 -0.090 0.000 2.383 30 S HA -0.027 4.445 4.470 0.002 0.000 0.227 30 S C 0.540 175.092 174.600 -0.080 0.000 1.026 30 S CA 1.012 59.177 58.200 -0.060 0.000 0.981 30 S CB 0.139 63.313 63.200 -0.044 0.000 0.818 30 S HN 0.744 nan 8.310 nan 0.000 0.472 31 D N -0.584 119.730 120.400 -0.145 0.000 2.964 31 D HA 0.413 5.055 4.640 0.002 0.000 0.234 31 D C -0.069 176.086 176.300 -0.240 0.000 1.223 31 D CA -0.349 53.570 54.000 -0.134 0.000 0.889 31 D CB 2.308 43.047 40.800 -0.102 0.000 1.609 31 D HN 0.059 nan 8.370 nan 0.000 0.523 32 S N 0.797 116.416 115.700 -0.134 0.000 2.465 32 S HA -0.165 4.306 4.470 0.002 0.000 0.241 32 S C 1.914 176.449 174.600 -0.108 0.000 1.000 32 S CA 1.385 59.540 58.200 -0.075 0.000 0.964 32 S CB -0.073 63.208 63.200 0.135 0.000 0.763 32 S HN 0.639 nan 8.310 nan 0.000 0.512 33 S N 1.356 116.990 115.700 -0.111 0.000 2.465 33 S HA -0.158 4.313 4.470 0.002 0.000 0.241 33 S C 1.526 176.042 174.600 -0.139 0.000 1.000 33 S CA 0.823 58.969 58.200 -0.089 0.000 0.964 33 S CB -0.390 62.770 63.200 -0.067 0.000 0.763 33 S HN 0.600 nan 8.310 nan 0.000 0.512 34 Q N -0.779 118.859 119.800 -0.269 0.000 2.389 34 Q HA 0.093 4.434 4.340 0.002 0.000 0.204 34 Q C 1.282 177.100 176.000 -0.303 0.000 0.944 34 Q CA 0.717 56.345 55.803 -0.291 0.000 0.908 34 Q CB -0.242 28.280 28.738 -0.360 0.000 1.002 34 Q HN 0.685 nan 8.270 nan 0.000 0.493 35 Y N 0.539 120.679 120.300 -0.266 0.000 2.181 35 Y HA -0.143 4.409 4.550 0.002 0.000 0.288 35 Y C -0.615 175.159 175.900 -0.210 0.000 1.146 35 Y CA 0.897 58.743 58.100 -0.423 0.000 1.164 35 Y CB -1.561 36.326 38.460 -0.955 0.000 0.982 35 Y HN 0.165 nan 8.280 nan 0.000 0.515 36 P HA -0.142 nan 4.420 nan 0.000 0.215 36 P C 1.542 178.871 177.300 0.047 0.000 1.153 36 P CA 2.392 65.525 63.100 0.055 0.000 0.853 36 P CB -0.097 31.624 31.700 0.036 0.000 0.788 37 T N -0.881 113.679 114.554 0.010 0.000 2.857 37 T HA -0.043 4.309 4.350 0.002 0.000 0.266 37 T C 1.740 176.458 174.700 0.029 0.000 1.048 37 T CA 0.796 62.903 62.100 0.012 0.000 1.139 37 T CB -0.832 68.029 68.868 -0.013 0.000 0.874 37 T HN 0.044 nan 8.240 nan 0.000 0.455 38 I N 0.895 121.471 120.570 0.010 0.000 2.118 38 I HA -0.206 3.965 4.170 0.002 0.000 0.241 38 I C 2.435 178.619 176.117 0.113 0.000 1.070 38 I CA 1.180 62.501 61.300 0.034 0.000 1.327 38 I CB -0.460 37.542 38.000 0.004 0.000 1.034 38 I HN 0.098 nan 8.210 nan 0.000 0.405 39 V N 0.709 120.709 119.914 0.144 0.000 2.307 39 V HA -0.257 3.864 4.120 0.002 0.000 0.245 39 V C 2.605 178.802 176.094 0.171 0.000 1.045 39 V CA 2.190 64.600 62.300 0.183 0.000 1.024 39 V CB -0.815 31.133 31.823 0.208 0.000 0.651 39 V HN 0.608 nan 8.190 nan 0.000 0.449 40 S N -0.599 115.172 115.700 0.119 0.000 2.383 40 S HA -0.218 4.253 4.470 0.002 0.000 0.227 40 S C 1.953 176.609 174.600 0.092 0.000 1.026 40 S CA 1.867 60.122 58.200 0.091 0.000 0.981 40 S CB -0.856 62.379 63.200 0.059 0.000 0.818 40 S HN 0.547 nan 8.310 nan 0.000 0.472 41 T N 1.499 116.114 114.554 0.102 0.000 2.708 41 T HA 0.003 4.355 4.350 0.002 0.000 0.266 41 T C 1.276 176.060 174.700 0.140 0.000 1.037 41 T CA 1.511 63.672 62.100 0.100 0.000 1.146 41 T CB -0.582 68.345 68.868 0.097 0.000 0.865 41 T HN 0.462 nan 8.240 nan 0.000 0.435 42 F N 1.624 121.590 119.950 0.026 0.000 2.134 42 F HA -0.072 4.456 4.527 0.003 0.000 0.299 42 F C 2.485 178.303 175.800 0.031 0.000 1.097 42 F CA 1.284 59.297 58.000 0.023 0.000 1.264 42 F CB -0.026 38.968 39.000 -0.010 0.000 1.001 42 F HN 0.177 nan 8.300 nan 0.000 0.479 43 E N -0.383 119.904 120.200 0.143 0.000 2.106 43 E HA -0.259 4.092 4.350 0.002 0.000 0.192 43 E C 2.098 178.692 176.600 -0.009 0.000 0.984 43 E CA 1.354 57.787 56.400 0.055 0.000 0.806 43 E CB -0.250 29.501 29.700 0.085 0.000 0.750 43 E HN 0.587 nan 8.360 nan 0.000 0.458 44 Q N -0.088 119.714 119.800 0.003 0.000 2.119 44 Q HA -0.096 4.246 4.340 0.002 0.000 0.201 44 Q C 2.266 178.241 176.000 -0.041 0.000 0.972 44 Q CA 1.294 57.088 55.803 -0.014 0.000 0.847 44 Q CB -0.197 28.540 28.738 -0.001 0.000 0.903 44 Q HN 0.314 nan 8.270 nan 0.000 0.433 45 G N 0.719 109.476 108.800 -0.071 0.000 2.421 45 G HA2 -0.235 3.727 3.960 0.002 0.000 0.216 45 G HA3 -0.235 3.727 3.960 0.002 0.000 0.216 45 G C 1.352 176.205 174.900 -0.079 0.000 1.171 45 G CA 0.564 45.606 45.100 -0.097 0.000 0.775 45 G HN 0.195 nan 8.290 nan 0.000 0.543 46 L N 0.126 121.257 121.223 -0.155 0.000 2.046 46 L HA -0.077 4.265 4.340 0.002 0.000 0.208 46 L C 2.821 179.679 176.870 -0.020 0.000 1.077 46 L CA 1.654 56.443 54.840 -0.085 0.000 0.747 46 L CB -0.310 41.666 42.059 -0.137 0.000 0.896 46 L HN 0.240 nan 8.230 nan 0.000 0.432 47 K N 0.196 120.578 120.400 -0.030 0.000 2.002 47 K HA -0.190 4.131 4.320 0.002 0.000 0.209 47 K C 2.331 178.923 176.600 -0.013 0.000 1.048 47 K CA 1.350 57.623 56.287 -0.023 0.000 0.930 47 K CB -0.015 32.471 32.500 -0.023 0.000 0.714 47 K HN 0.149 nan 8.250 nan 0.000 0.438 48 R N -0.369 120.122 120.500 -0.015 0.000 2.091 48 R HA -0.151 4.190 4.340 0.002 0.000 0.238 48 R C 2.345 178.664 176.300 0.030 0.000 1.136 48 R CA 1.816 57.896 56.100 -0.034 0.000 0.959 48 R CB -0.466 29.785 30.300 -0.081 0.000 0.856 48 R HN 0.352 nan 8.270 nan 0.000 0.437 49 F N 1.149 121.036 119.950 -0.105 0.000 2.102 49 F HA -0.234 4.294 4.527 0.002 0.000 0.298 49 F C 2.214 177.958 175.800 -0.093 0.000 1.105 49 F CA 1.013 58.987 58.000 -0.044 0.000 1.239 49 F CB 0.123 39.103 39.000 -0.034 0.000 0.991 49 F HN -0.003 nan 8.300 nan 0.000 0.474 50 S N 0.271 115.934 115.700 -0.060 0.000 2.382 50 S HA -0.212 4.260 4.470 0.002 0.000 0.228 50 S C 1.512 176.052 174.600 -0.100 0.000 1.027 50 S CA 1.513 59.604 58.200 -0.182 0.000 0.991 50 S CB -0.376 62.754 63.200 -0.117 0.000 0.823 50 S HN 0.496 nan 8.310 nan 0.000 0.469 51 E N 1.267 121.441 120.200 -0.043 0.000 2.072 51 E HA -0.064 4.288 4.350 0.002 0.000 0.191 51 E C 2.357 178.939 176.600 -0.029 0.000 0.985 51 E CA 1.006 57.387 56.400 -0.032 0.000 0.801 51 E CB -0.230 29.449 29.700 -0.035 0.000 0.750 51 E HN 0.518 nan 8.360 nan 0.000 0.452 52 A N 0.786 123.595 122.820 -0.017 0.000 1.897 52 A HA -0.040 4.282 4.320 0.002 0.000 0.215 52 A C 1.309 178.913 177.584 0.033 0.000 1.181 52 A CA 0.839 52.885 52.037 0.014 0.000 0.620 52 A CB 0.371 19.370 19.000 -0.001 0.000 0.821 52 A HN 0.093 nan 8.150 nan 0.000 0.443 53 V N 0.267 120.145 119.914 -0.061 0.000 2.383 53 V HA 0.204 4.325 4.120 0.002 0.000 0.264 53 V C -2.192 173.582 176.094 -0.534 0.000 1.001 53 V CA -0.781 61.336 62.300 -0.305 0.000 0.828 53 V CB 1.220 32.789 31.823 -0.422 0.000 1.069 53 V HN 0.171 nan 8.190 nan 0.000 0.451 54 P HA -0.177 nan 4.420 nan 0.000 0.217 54 P C 1.701 178.725 177.300 -0.459 0.000 1.148 54 P CA 1.696 64.666 63.100 -0.217 0.000 0.834 54 P CB 0.058 31.796 31.700 0.063 0.000 0.783 55 W N 0.239 121.045 121.300 -0.823 0.000 2.421 55 W HA -0.073 4.588 4.660 0.002 0.000 0.270 55 W C 1.283 177.519 176.519 -0.471 0.000 1.233 55 W CA 0.942 57.602 57.345 -1.143 0.000 1.226 55 W CB -1.550 27.286 29.460 -1.039 0.000 1.121 55 W HN -0.116 nan 8.180 nan 0.000 0.579 56 V N 0.784 120.182 119.914 -0.859 0.000 2.720 56 V HA 0.013 4.134 4.120 0.002 0.000 0.256 56 V C 2.174 178.121 176.094 -0.245 0.000 1.082 56 V CA 2.022 63.896 62.300 -0.709 0.000 1.101 56 V CB -1.397 29.681 31.823 -1.241 0.000 0.693 56 V HN 0.137 nan 8.190 nan 0.000 0.479 57 A N 0.465 123.202 122.820 -0.138 0.000 2.278 57 A HA 0.598 4.920 4.320 0.002 0.000 0.212 57 A C 1.384 179.140 177.584 0.287 0.000 1.213 57 A CA 0.531 52.606 52.037 0.062 0.000 0.840 57 A CB -0.901 18.121 19.000 0.036 0.000 0.866 57 A HN 0.723 nan 8.150 nan 0.000 0.489 58 G N -0.360 108.650 108.800 0.350 0.000 2.510 58 G HA2 0.483 4.445 3.960 0.002 0.000 0.280 58 G HA3 0.483 4.445 3.960 0.002 0.000 0.280 58 G C -0.194 174.904 174.900 0.331 0.000 1.386 58 G CA -0.182 45.224 45.100 0.511 0.000 1.047 58 G HN 0.623 nan 8.290 nan 0.000 0.527 59 Q N -2.059 117.880 119.800 0.232 0.000 2.451 59 Q HA 0.619 4.961 4.340 0.002 0.000 0.281 59 Q C -1.617 174.418 176.000 0.057 0.000 1.099 59 Q CA -0.952 54.842 55.803 -0.014 0.000 0.806 59 Q CB 2.272 30.815 28.738 -0.325 0.000 1.419 59 Q HN 0.281 nan 8.270 nan 0.000 0.427 60 V N 1.773 121.691 119.914 0.007 0.000 2.406 60 V HA 0.383 4.504 4.120 0.002 0.000 0.272 60 V C -0.444 175.667 176.094 0.028 0.000 1.043 60 V CA -0.254 62.062 62.300 0.027 0.000 0.915 60 V CB 0.838 32.652 31.823 -0.016 0.000 0.988 60 V HN 0.722 nan 8.190 nan 0.000 0.466 61 K N 3.990 124.439 120.400 0.082 0.000 2.507 61 K HA 0.753 5.074 4.320 0.002 0.000 0.252 61 K C -0.367 176.316 176.600 0.139 0.000 0.943 61 K CA -0.352 55.986 56.287 0.086 0.000 0.808 61 K CB 1.713 34.260 32.500 0.079 0.000 1.142 61 K HN 0.777 nan 8.250 nan 0.000 0.426 62 A N 3.638 126.516 122.820 0.097 0.000 2.340 62 A HA 0.461 4.782 4.320 0.002 0.000 0.268 62 A C -0.684 176.973 177.584 0.120 0.000 1.100 62 A CA -0.238 51.866 52.037 0.111 0.000 0.803 62 A CB 0.343 19.379 19.000 0.060 0.000 1.043 62 A HN 0.886 nan 8.150 nan 0.000 0.488 63 E N -0.048 120.245 120.200 0.155 0.000 2.446 63 E HA 0.587 4.939 4.350 0.002 0.000 0.276 63 E C 0.273 176.933 176.600 0.102 0.000 0.969 63 E CA -0.815 55.653 56.400 0.112 0.000 0.800 63 E CB 1.035 30.793 29.700 0.098 0.000 1.341 63 E HN 1.866 nan 8.360 nan 0.000 0.460 64 G N 0.905 109.743 108.800 0.063 0.000 2.160 64 G HA2 -0.264 3.697 3.960 0.002 0.000 0.251 64 G HA3 -0.264 3.697 3.960 0.002 0.000 0.251 64 G C 0.013 174.933 174.900 0.034 0.000 1.008 64 G CA 0.373 45.502 45.100 0.048 0.000 0.724 64 G HN 0.472 nan 8.290 nan 0.000 0.514 65 I N 1.547 122.136 120.570 0.032 0.000 2.496 65 I HA 0.478 4.650 4.170 0.002 0.000 0.285 65 I C 0.988 177.114 176.117 0.014 0.000 1.080 65 I CA 0.795 62.108 61.300 0.022 0.000 1.404 65 I CB 1.189 39.203 38.000 0.024 0.000 1.403 65 I HN 0.480 nan 8.210 nan 0.000 0.539 66 S N 3.541 119.246 115.700 0.009 0.000 2.757 66 S HA 0.428 4.899 4.470 0.002 0.000 0.285 66 S C -1.035 173.567 174.600 0.002 0.000 1.196 66 S CA -1.199 57.004 58.200 0.005 0.000 0.856 66 S CB 0.921 64.123 63.200 0.003 0.000 1.212 66 S HN 0.447 nan 8.310 nan 0.000 0.516 67 E N 0.979 121.180 120.200 0.001 0.000 2.417 67 E HA 0.450 4.802 4.350 0.002 0.000 0.261 67 E C 1.167 177.764 176.600 -0.005 0.000 1.000 67 E CA 1.385 57.784 56.400 -0.001 0.000 0.919 67 E CB -0.236 29.464 29.700 -0.001 0.000 0.955 67 E HN 1.401 nan 8.360 nan 0.000 0.455 68 G N 3.399 112.196 108.800 -0.005 0.000 2.203 68 G HA2 -0.331 3.630 3.960 0.002 0.000 0.263 68 G HA3 -0.331 3.630 3.960 0.002 0.000 0.263 68 G C -0.103 174.787 174.900 -0.016 0.000 1.012 68 G CA 0.325 45.419 45.100 -0.010 0.000 0.749 68 G HN 0.515 nan 8.290 nan 0.000 0.512 69 N N -0.240 118.454 118.700 -0.011 0.000 2.558 69 N HA 0.348 5.089 4.740 0.002 0.000 0.285 69 N C 1.149 176.656 175.510 -0.004 0.000 1.112 69 N CA 0.280 53.321 53.050 -0.014 0.000 0.857 69 N CB 1.021 39.501 38.487 -0.013 0.000 1.376 69 N HN 0.208 nan 8.380 nan 0.000 0.526 70 T N -0.197 114.354 114.554 -0.006 0.000 3.148 70 T HA 0.327 4.679 4.350 0.002 0.000 0.253 70 T C 1.053 175.757 174.700 0.008 0.000 1.134 70 T CA 0.453 62.554 62.100 0.002 0.000 1.051 70 T CB -0.359 68.510 68.868 0.001 0.000 0.959 70 T HN 0.774 nan 8.240 nan 0.000 0.525 71 G N 0.602 109.407 108.800 0.009 0.000 2.741 71 G HA2 -0.044 3.917 3.960 0.002 0.000 0.222 71 G HA3 -0.044 3.917 3.960 0.002 0.000 0.222 71 G C -0.520 174.393 174.900 0.021 0.000 1.364 71 G CA -0.419 44.698 45.100 0.028 0.000 0.866 71 G HN 0.707 nan 8.290 nan 0.000 0.555 72 T N 0.559 115.145 114.554 0.054 0.000 2.921 72 T HA 0.676 5.027 4.350 0.002 0.000 0.297 72 T C -0.130 174.566 174.700 -0.006 0.000 1.013 72 T CA 0.077 62.165 62.100 -0.019 0.000 0.990 72 T CB 1.760 70.623 68.868 -0.009 0.000 1.023 72 T HN 0.854 nan 8.240 nan 0.000 0.447 73 S N 1.960 117.565 115.700 -0.159 0.000 2.565 73 S HA 0.838 5.309 4.470 0.002 0.000 0.290 73 S C -1.085 173.324 174.600 -0.319 0.000 1.150 73 S CA -0.592 57.564 58.200 -0.074 0.000 1.058 73 S CB 0.448 63.622 63.200 -0.044 0.000 1.032 73 S HN 0.504 nan 8.310 nan 0.000 0.510 74 F N 0.682 120.637 119.950 0.008 0.000 2.588 74 F HA 0.527 5.056 4.527 0.002 0.000 0.310 74 F C -0.194 175.625 175.800 0.032 0.000 1.082 74 F CA -0.915 57.095 58.000 0.016 0.000 0.929 74 F CB 0.995 40.013 39.000 0.030 0.000 1.254 74 F HN 0.331 nan 8.300 nan 0.000 0.455 75 I N 3.889 124.588 120.570 0.215 0.000 2.396 75 I HA 0.437 4.608 4.170 0.002 0.000 0.289 75 I C -0.385 175.978 176.117 0.410 0.000 1.056 75 I CA -0.499 60.943 61.300 0.235 0.000 1.365 75 I CB 0.501 38.563 38.000 0.104 0.000 1.407 75 I HN 0.389 nan 8.210 nan 0.000 0.509 76 V N 4.418 124.551 119.914 0.365 0.000 3.102 76 V HA 0.680 4.801 4.120 0.002 0.000 0.312 76 V C -2.816 173.337 176.094 0.098 0.000 1.135 76 V CA -2.792 59.608 62.300 0.166 0.000 1.022 76 V CB 1.581 33.429 31.823 0.042 0.000 1.056 76 V HN 0.381 nan 8.190 nan 0.000 0.436 77 P HA 0.259 nan 4.420 nan 0.000 0.268 77 P C -0.689 176.712 177.300 0.168 0.000 1.208 77 P CA 0.535 63.503 63.100 -0.219 0.000 0.777 77 P CB 0.445 31.902 31.700 -0.406 0.000 0.875 78 F N 0.405 120.389 119.950 0.057 0.000 1.855 78 F HA 0.305 4.834 4.527 0.002 0.000 0.228 78 F C 0.017 175.842 175.800 0.042 0.000 1.236 78 F CA -0.059 57.975 58.000 0.057 0.000 1.308 78 F CB 0.806 39.863 39.000 0.096 0.000 1.877 78 F HN 0.200 nan 8.300 nan 0.000 0.272 79 E N 0.288 120.376 120.200 -0.186 0.000 2.393 79 E HA 0.164 4.515 4.350 0.002 0.000 0.265 79 E C -0.547 176.016 176.600 -0.062 0.000 0.941 79 E CA -0.517 55.720 56.400 -0.272 0.000 0.801 79 E CB 1.743 31.155 29.700 -0.481 0.000 1.313 79 E HN 0.157 nan 8.360 nan 0.000 0.435 80 D N -0.210 120.149 120.400 -0.068 0.000 2.144 80 D HA -0.073 4.569 4.640 0.002 0.000 0.199 80 D C 0.729 177.020 176.300 -0.015 0.000 0.984 80 D CA 1.308 55.293 54.000 -0.024 0.000 0.834 80 D CB 0.150 40.930 40.800 -0.034 0.000 0.955 80 D HN 0.204 nan 8.370 nan 0.000 0.465 81 V N -3.482 116.416 119.914 -0.027 0.000 3.040 81 V HA 0.594 4.716 4.120 0.002 0.000 0.312 81 V C -2.890 173.200 176.094 -0.005 0.000 1.115 81 V CA -2.463 59.820 62.300 -0.028 0.000 0.998 81 V CB 1.874 33.680 31.823 -0.029 0.000 1.042 81 V HN -0.303 nan 8.190 nan 0.000 0.433 82 P HA 0.298 nan 4.420 nan 0.000 0.268 82 P C -0.651 176.680 177.300 0.053 0.000 1.205 82 P CA -0.033 63.089 63.100 0.038 0.000 0.771 82 P CB 0.265 31.965 31.700 -0.000 0.000 0.858 83 R N 1.352 121.905 120.500 0.088 0.000 2.401 83 R HA 0.338 4.680 4.340 0.002 0.000 0.299 83 R C -0.271 176.075 176.300 0.077 0.000 1.064 83 R CA -0.346 55.797 56.100 0.072 0.000 1.000 83 R CB 0.339 30.693 30.300 0.090 0.000 0.973 83 R HN 0.272 nan 8.270 nan 0.000 0.438 84 V N 5.004 124.965 119.914 0.078 0.000 2.495 84 V HA 0.373 4.495 4.120 0.002 0.000 0.298 84 V C -0.584 175.529 176.094 0.031 0.000 1.031 84 V CA -0.716 61.641 62.300 0.094 0.000 0.871 84 V CB 2.044 33.993 31.823 0.211 0.000 0.988 84 V HN 0.434 nan 8.190 nan 0.000 0.432 85 V N 6.978 126.885 119.914 -0.011 0.000 2.435 85 V HA 0.494 4.616 4.120 0.002 0.000 0.290 85 V C -0.231 175.794 176.094 -0.114 0.000 1.030 85 V CA -0.477 61.789 62.300 -0.057 0.000 0.881 85 V CB 1.895 33.679 31.823 -0.065 0.000 0.983 85 V HN 0.665 nan 8.190 nan 0.000 0.445 86 V N 5.657 125.479 119.914 -0.154 0.000 2.370 86 V HA 0.538 4.659 4.120 0.002 0.000 0.283 86 V C -0.082 175.790 176.094 -0.371 0.000 1.023 86 V CA -0.803 61.321 62.300 -0.294 0.000 0.857 86 V CB 1.590 33.263 31.823 -0.250 0.000 0.985 86 V HN 0.710 nan 8.190 nan 0.000 0.443 87 K N 2.760 122.862 120.400 -0.496 0.000 2.376 87 K HA 0.401 4.722 4.320 0.002 0.000 0.257 87 K C -1.100 175.139 176.600 -0.600 0.000 0.939 87 K CA -0.642 55.394 56.287 -0.418 0.000 0.809 87 K CB 2.408 34.755 32.500 -0.255 0.000 1.121 87 K HN 0.693 nan 8.250 nan 0.000 0.425 88 D N 3.978 124.105 120.400 -0.454 0.000 2.396 88 D HA 0.189 4.830 4.640 0.002 0.000 0.225 88 D C 0.244 176.458 176.300 -0.143 0.000 1.121 88 D CA -0.306 53.505 54.000 -0.315 0.000 0.853 88 D CB 0.529 41.257 40.800 -0.120 0.000 1.043 88 D HN 0.402 nan 8.370 nan 0.000 0.500 89 L N 3.524 124.685 121.223 -0.103 0.000 2.769 89 L HA 0.296 4.637 4.340 0.002 0.000 0.240 89 L C 2.124 178.981 176.870 -0.021 0.000 1.163 89 L CA -0.309 54.495 54.840 -0.061 0.000 0.962 89 L CB 0.176 42.195 42.059 -0.066 0.000 1.258 89 L HN 0.214 nan 8.230 nan 0.000 0.513 90 R N 0.470 120.969 120.500 -0.000 0.000 2.127 90 R HA -0.129 4.212 4.340 0.002 0.000 0.238 90 R C 0.519 176.827 176.300 0.013 0.000 1.134 90 R CA 1.250 57.362 56.100 0.021 0.000 0.975 90 R CB -0.020 30.301 30.300 0.035 0.000 0.865 90 R HN 0.287 nan 8.270 nan 0.000 0.447 91 D N -0.189 120.213 120.400 0.003 0.000 2.462 91 D HA 0.020 4.662 4.640 0.002 0.000 0.221 91 D C -0.630 175.666 176.300 -0.007 0.000 1.173 91 D CA 0.160 54.160 54.000 0.001 0.000 0.831 91 D CB 0.253 41.055 40.800 0.004 0.000 1.001 91 D HN 0.028 nan 8.370 nan 0.000 0.499 92 D N 1.472 121.864 120.400 -0.014 0.000 2.347 92 D HA 0.097 4.738 4.640 0.002 0.000 0.235 92 D C -1.445 174.846 176.300 -0.016 0.000 1.149 92 D CA -1.916 52.072 54.000 -0.019 0.000 0.850 92 D CB 2.090 42.873 40.800 -0.029 0.000 1.061 92 D HN -0.067 nan 8.370 nan 0.000 0.487 93 P HA -0.096 nan 4.420 nan 0.000 0.226 93 P C 0.963 178.255 177.300 -0.014 0.000 1.153 93 P CA 0.564 63.658 63.100 -0.010 0.000 0.777 93 P CB 0.213 31.909 31.700 -0.007 0.000 0.794 94 S N -1.621 114.069 115.700 -0.017 0.000 2.548 94 S HA 0.329 4.801 4.470 0.002 0.000 0.215 94 S C 1.093 175.676 174.600 -0.028 0.000 0.976 94 S CA -0.211 57.978 58.200 -0.019 0.000 0.908 94 S CB -0.505 62.686 63.200 -0.015 0.000 0.781 94 S HN 0.154 nan 8.310 nan 0.000 0.519 95 A N 3.153 125.954 122.820 -0.032 0.000 2.286 95 A HA 0.693 5.015 4.320 0.002 0.000 0.286 95 A C -2.071 175.481 177.584 -0.053 0.000 1.097 95 A CA -1.727 50.282 52.037 -0.046 0.000 0.821 95 A CB -0.117 18.856 19.000 -0.044 0.000 1.076 95 A HN 0.408 nan 8.150 nan 0.000 0.490 96 P HA 0.348 nan 4.420 nan 0.000 0.274 96 P C -0.279 176.987 177.300 -0.057 0.000 1.246 96 P CA 0.079 63.124 63.100 -0.092 0.000 0.795 96 P CB 0.765 32.359 31.700 -0.177 0.000 1.006 97 T N -2.561 111.968 114.554 -0.042 0.000 2.916 97 T HA 0.309 4.660 4.350 0.002 0.000 0.292 97 T C 1.019 175.721 174.700 0.003 0.000 1.064 97 T CA -0.693 61.403 62.100 -0.008 0.000 1.011 97 T CB 1.057 69.924 68.868 -0.001 0.000 1.152 97 T HN 0.144 nan 8.240 nan 0.000 0.510 98 I N 0.883 121.475 120.570 0.037 0.000 2.208 98 I HA -0.094 4.077 4.170 0.002 0.000 0.245 98 I C 2.198 178.337 176.117 0.038 0.000 1.097 98 I CA 1.684 63.023 61.300 0.064 0.000 1.363 98 I CB -0.417 37.636 38.000 0.088 0.000 1.051 98 I HN 0.699 nan 8.210 nan 0.000 0.413 99 E N 0.271 120.481 120.200 0.018 0.000 2.107 99 E HA -0.076 4.276 4.350 0.002 0.000 0.191 99 E C 2.251 178.831 176.600 -0.033 0.000 0.982 99 E CA 1.103 57.501 56.400 -0.003 0.000 0.809 99 E CB -0.847 28.854 29.700 0.003 0.000 0.756 99 E HN 0.605 nan 8.360 nan 0.000 0.459 100 G N 0.986 109.765 108.800 -0.034 0.000 2.418 100 G HA2 -0.258 3.703 3.960 0.002 0.000 0.217 100 G HA3 -0.258 3.703 3.960 0.002 0.000 0.217 100 G C 1.715 176.562 174.900 -0.089 0.000 1.158 100 G CA 0.916 45.985 45.100 -0.052 0.000 0.771 100 G HN 0.156 nan 8.290 nan 0.000 0.545 101 M N -0.235 119.311 119.600 -0.091 0.000 2.086 101 M HA -0.019 4.463 4.480 0.002 0.000 0.261 101 M C 2.826 178.875 176.300 -0.417 0.000 1.067 101 M CA 1.303 56.516 55.300 -0.145 0.000 1.116 101 M CB -0.213 32.402 32.600 0.025 0.000 1.348 101 M HN 0.129 nan 8.290 nan 0.000 0.407 102 R N -0.288 120.022 120.500 -0.317 0.000 2.073 102 R HA -0.152 4.189 4.340 0.002 0.000 0.234 102 R C 2.489 178.619 176.300 -0.284 0.000 1.134 102 R CA 1.734 57.604 56.100 -0.383 0.000 0.952 102 R CB -0.517 29.723 30.300 -0.100 0.000 0.850 102 R HN 0.142 nan 8.270 nan 0.000 0.433 103 K N 0.472 120.775 120.400 -0.162 0.000 2.097 103 K HA -0.046 4.275 4.320 0.002 0.000 0.206 103 K C 1.829 178.363 176.600 -0.109 0.000 1.049 103 K CA 1.400 57.625 56.287 -0.103 0.000 0.933 103 K CB -0.308 32.156 32.500 -0.060 0.000 0.717 103 K HN 0.416 nan 8.250 nan 0.000 0.442 104 A N -1.045 121.694 122.820 -0.136 0.000 2.251 104 A HA 0.432 4.754 4.320 0.002 0.000 0.209 104 A C 1.565 179.080 177.584 -0.116 0.000 1.187 104 A CA 0.835 52.814 52.037 -0.096 0.000 0.823 104 A CB -0.532 18.429 19.000 -0.065 0.000 0.846 104 A HN 1.245 nan 8.150 nan 0.000 0.486 105 G N -0.963 107.686 108.800 -0.251 0.000 2.198 105 G HA2 -0.269 3.693 3.960 0.002 0.000 0.257 105 G HA3 -0.269 3.693 3.960 0.002 0.000 0.257 105 G C 0.171 175.056 174.900 -0.025 0.000 1.042 105 G CA -0.038 44.930 45.100 -0.221 0.000 0.791 105 G HN 1.178 nan 8.290 nan 0.000 0.502 106 Y N -3.400 117.000 120.300 0.167 0.000 3.057 106 Y HA -0.188 4.364 4.550 0.003 0.000 0.192 106 Y C -1.318 174.852 175.900 0.451 0.000 1.448 106 Y CA 0.013 58.303 58.100 0.316 0.000 1.065 106 Y CB -2.158 36.502 38.460 0.334 0.000 1.369 106 Y HN 0.484 nan 8.280 nan 0.000 0.460 107 P HA 0.027 nan 4.420 nan 0.000 0.274 107 P C 0.936 178.397 177.300 0.268 0.000 1.231 107 P CA -0.296 62.965 63.100 0.269 0.000 0.790 107 P CB 1.046 32.772 31.700 0.043 0.000 0.951 108 M N 2.417 121.827 119.600 -0.316 0.000 2.149 108 M HA -0.208 4.273 4.480 0.002 0.000 0.261 108 M C 1.844 178.110 176.300 -0.057 0.000 1.064 108 M CA 2.310 57.301 55.300 -0.514 0.000 1.102 108 M CB -0.596 31.288 32.600 -1.193 0.000 1.369 108 M HN 0.470 nan 8.290 nan 0.000 0.408 109 A N -0.128 122.657 122.820 -0.058 0.000 2.070 109 A HA -0.164 4.157 4.320 0.002 0.000 0.220 109 A C 1.895 179.488 177.584 0.015 0.000 1.159 109 A CA 1.446 53.481 52.037 -0.004 0.000 0.656 109 A CB -0.639 18.359 19.000 -0.003 0.000 0.800 109 A HN 0.621 nan 8.150 nan 0.000 0.453 110 M N -1.652 117.959 119.600 0.020 0.000 2.561 110 M HA 0.175 4.657 4.480 0.002 0.000 0.238 110 M C -0.605 175.524 176.300 -0.284 0.000 1.131 110 M CA 0.449 55.675 55.300 -0.124 0.000 1.046 110 M CB 0.178 32.667 32.600 -0.186 0.000 1.532 110 M HN 0.368 nan 8.290 nan 0.000 0.497 111 F N 0.468 120.426 119.950 0.012 0.000 2.434 111 F HA 0.215 4.743 4.527 0.003 0.000 0.316 111 F C 0.195 175.992 175.800 -0.005 0.000 1.222 111 F CA -1.336 56.673 58.000 0.016 0.000 1.207 111 F CB 0.057 39.083 39.000 0.044 0.000 1.466 111 F HN -0.132 nan 8.300 nan 0.000 0.545 112 D N 2.051 122.505 120.400 0.090 0.000 2.339 112 D HA -0.021 4.620 4.640 0.002 0.000 0.256 112 D C 1.392 177.734 176.300 0.069 0.000 1.214 112 D CA 0.091 54.131 54.000 0.067 0.000 0.877 112 D CB 0.924 41.741 40.800 0.029 0.000 1.111 112 D HN 0.706 nan 8.370 nan 0.000 0.478 113 E N 2.734 122.983 120.200 0.081 0.000 2.209 113 E HA -0.267 4.084 4.350 0.002 0.000 0.196 113 E C 0.753 177.373 176.600 0.033 0.000 0.993 113 E CA 1.225 57.661 56.400 0.060 0.000 0.819 113 E CB -0.316 29.425 29.700 0.067 0.000 0.745 113 E HN 0.483 nan 8.360 nan 0.000 0.477 114 N N 0.275 118.997 118.700 0.037 0.000 2.396 114 N HA 0.009 4.750 4.740 0.002 0.000 0.180 114 N C 1.545 177.055 175.510 -0.001 0.000 1.028 114 N CA 1.102 54.163 53.050 0.019 0.000 0.893 114 N CB 0.067 38.571 38.487 0.027 0.000 0.967 114 N HN 0.272 nan 8.380 nan 0.000 0.440 115 I N -0.443 120.126 120.570 -0.001 0.000 3.039 115 I HA 0.044 4.215 4.170 0.002 0.000 0.270 115 I C 0.943 177.042 176.117 -0.031 0.000 1.150 115 I CA 0.490 61.778 61.300 -0.021 0.000 1.448 115 I CB 0.243 38.229 38.000 -0.024 0.000 1.197 115 I HN 0.103 nan 8.210 nan 0.000 0.450 116 I N -1.391 119.174 120.570 -0.009 0.000 4.082 116 I HA 0.482 4.654 4.170 0.002 0.000 0.337 116 I C 0.608 176.723 176.117 -0.003 0.000 1.352 116 I CA -0.712 60.583 61.300 -0.008 0.000 1.097 116 I CB -0.298 37.716 38.000 0.023 0.000 1.048 116 I HN -0.098 nan 8.210 nan 0.000 0.393 117 A N 2.163 124.978 122.820 -0.008 0.000 2.340 117 A HA 0.847 5.168 4.320 0.002 0.000 0.331 117 A C -1.941 175.613 177.584 -0.050 0.000 1.140 117 A CA -1.309 50.714 52.037 -0.024 0.000 0.801 117 A CB 0.807 19.796 19.000 -0.019 0.000 1.234 117 A HN 0.090 nan 8.150 nan 0.000 0.469 118 P HA 0.046 nan 4.420 nan 0.000 0.236 118 P C 0.213 177.445 177.300 -0.114 0.000 1.177 118 P CA 0.694 63.746 63.100 -0.080 0.000 0.773 118 P CB 0.329 31.987 31.700 -0.071 0.000 0.878 119 R N -0.749 119.663 120.500 -0.146 0.000 2.629 119 R HA 0.334 4.676 4.340 0.002 0.000 0.266 119 R C -0.873 175.342 176.300 -0.141 0.000 1.051 119 R CA -0.730 55.254 56.100 -0.195 0.000 0.895 119 R CB 1.617 31.669 30.300 -0.414 0.000 1.246 119 R HN -0.299 nan 8.270 nan 0.000 0.459 120 K N 0.700 121.049 120.400 -0.085 0.000 2.319 120 K HA 0.111 4.432 4.320 0.002 0.000 0.265 120 K C 0.582 177.169 176.600 -0.021 0.000 1.000 120 K CA 0.091 56.363 56.287 -0.025 0.000 0.943 120 K CB 0.786 33.302 32.500 0.028 0.000 0.950 120 K HN 0.549 nan 8.250 nan 0.000 0.485 121 T N 1.343 115.859 114.554 -0.063 0.000 2.708 121 T HA -0.085 4.267 4.350 0.002 0.000 0.266 121 T C 0.827 175.531 174.700 0.007 0.000 1.037 121 T CA 1.085 63.100 62.100 -0.141 0.000 1.146 121 T CB -0.022 68.443 68.868 -0.670 0.000 0.865 121 T HN 0.296 nan 8.240 nan 0.000 0.435 122 L N 1.753 123.015 121.223 0.065 0.000 2.375 122 L HA 0.342 4.684 4.340 0.002 0.000 0.268 122 L C -1.999 174.942 176.870 0.119 0.000 1.058 122 L CA -2.509 52.408 54.840 0.128 0.000 0.803 122 L CB 0.727 42.905 42.059 0.198 0.000 1.212 122 L HN -0.105 nan 8.230 nan 0.000 0.451 123 P HA 0.195 nan 4.420 nan 0.000 0.235 123 P C -0.697 176.652 177.300 0.082 0.000 1.765 123 P CA 0.466 63.623 63.100 0.096 0.000 1.034 123 P CB -0.347 31.405 31.700 0.087 0.000 1.984 124 I N 0.619 121.237 120.570 0.081 0.000 2.498 124 I HA 0.612 4.784 4.170 0.002 0.000 0.290 124 I C 0.793 176.944 176.117 0.056 0.000 1.032 124 I CA -0.187 61.157 61.300 0.073 0.000 1.073 124 I CB 2.068 40.124 38.000 0.092 0.000 1.251 124 I HN 0.326 nan 8.210 nan 0.000 0.426 125 G N 6.439 115.266 108.800 0.046 0.000 2.660 125 G HA2 -0.112 3.849 3.960 0.002 0.000 0.247 125 G HA3 -0.112 3.849 3.960 0.002 0.000 0.247 125 G C -3.040 171.876 174.900 0.028 0.000 1.328 125 G CA -1.221 43.900 45.100 0.035 0.000 0.884 125 G HN 0.420 nan 8.290 nan 0.000 0.531 126 P HA 0.410 nan 4.420 nan 0.000 0.266 126 P C 0.928 178.236 177.300 0.013 0.000 1.195 126 P CA 1.897 65.007 63.100 0.017 0.000 0.768 126 P CB 0.590 32.297 31.700 0.012 0.000 0.838 127 G N 1.782 110.591 108.800 0.016 0.000 2.198 127 G HA2 -0.242 3.719 3.960 0.002 0.000 0.260 127 G HA3 -0.242 3.719 3.960 0.002 0.000 0.260 127 G C 0.492 175.402 174.900 0.017 0.000 1.025 127 G CA 0.590 45.699 45.100 0.015 0.000 0.769 127 G HN 0.763 nan 8.290 nan 0.000 0.507 128 T N -2.815 111.756 114.554 0.028 0.000 3.200 128 T HA 0.582 4.933 4.350 0.002 0.000 0.284 128 T C 1.159 175.889 174.700 0.049 0.000 1.009 128 T CA 0.823 62.950 62.100 0.045 0.000 0.907 128 T CB 0.992 69.891 68.868 0.052 0.000 1.120 128 T HN 1.314 nan 8.240 nan 0.000 0.534 129 G N 2.172 110.996 108.800 0.039 0.000 2.539 129 G HA2 0.482 4.444 3.960 0.002 0.000 0.258 129 G HA3 0.482 4.444 3.960 0.002 0.000 0.258 129 G C -1.491 173.432 174.900 0.037 0.000 1.202 129 G CA -1.492 43.630 45.100 0.037 0.000 0.851 129 G HN 0.017 nan 8.290 nan 0.000 0.556 130 P HA 0.008 nan 4.420 nan 0.000 0.219 130 P C 1.427 178.743 177.300 0.028 0.000 1.146 130 P CA 1.945 65.063 63.100 0.031 0.000 0.808 130 P CB 0.155 31.872 31.700 0.028 0.000 0.779 131 D N -1.441 118.975 120.400 0.027 0.000 2.348 131 D HA -0.035 4.607 4.640 0.002 0.000 0.211 131 D C 0.579 176.895 176.300 0.027 0.000 0.998 131 D CA 0.226 54.242 54.000 0.026 0.000 0.873 131 D CB -0.419 nan 40.800 nan 0.000 0.925 131 D HN 0.154 nan 8.370 nan 0.000 0.524 132 D N 1.018 121.434 120.400 0.027 0.000 2.345 132 D HA 0.300 4.942 4.640 0.002 0.000 0.247 132 D C -2.252 174.050 176.300 0.004 0.000 1.108 132 D CA -1.440 52.575 54.000 0.026 0.000 0.894 132 D CB 1.316 42.133 40.800 0.028 0.000 1.203 132 D HN 0.134 nan 8.370 nan 0.000 0.430 133 P HA 0.087 nan 4.420 nan 0.000 0.269 133 P C -0.553 176.660 177.300 -0.145 0.000 1.209 133 P CA 0.021 63.031 63.100 -0.150 0.000 0.776 133 P CB 0.505 32.056 31.700 -0.247 0.000 0.876 134 K N 3.316 123.614 120.400 -0.169 0.000 2.499 134 K HA 0.334 4.655 4.320 0.002 0.000 0.215 134 K C -2.501 174.062 176.600 -0.062 0.000 1.041 134 K CA -1.790 54.498 56.287 0.001 0.000 1.031 134 K CB 0.832 33.360 32.500 0.047 0.000 1.479 134 K HN 0.327 nan 8.250 nan 0.000 0.518 135 P HA -0.071 nan 4.420 nan 0.000 0.266 135 P C 1.067 178.456 177.300 0.148 0.000 1.195 135 P CA -0.158 62.903 63.100 -0.065 0.000 0.768 135 P CB 0.891 32.622 31.700 0.053 0.000 0.838 136 V N 3.401 123.393 119.914 0.130 0.000 2.287 136 V HA -0.146 3.975 4.120 0.002 0.000 0.248 136 V C 1.331 177.522 176.094 0.162 0.000 1.053 136 V CA 1.737 64.121 62.300 0.139 0.000 1.027 136 V CB -0.483 31.453 31.823 0.188 0.000 0.646 136 V HN 0.511 nan 8.190 nan 0.000 0.447 137 I N -1.016 119.649 120.570 0.158 0.000 2.769 137 I HA 0.518 4.689 4.170 0.002 0.000 0.298 137 I C -1.521 174.674 176.117 0.130 0.000 1.128 137 I CA -0.652 60.733 61.300 0.142 0.000 1.031 137 I CB 2.118 40.166 38.000 0.079 0.000 1.235 137 I HN -0.013 nan 8.210 nan 0.000 0.423 138 L N 6.941 128.227 121.223 0.104 0.000 2.422 138 L HA 0.606 4.947 4.340 0.002 0.000 0.264 138 L C -1.492 175.411 176.870 0.056 0.000 0.984 138 L CA -0.657 54.217 54.840 0.057 0.000 0.819 138 L CB 2.155 44.197 42.059 -0.027 0.000 1.330 138 L HN 0.431 nan 8.230 nan 0.000 0.410 139 L N 2.102 123.367 121.223 0.069 0.000 2.354 139 L HA 0.649 4.991 4.340 0.002 0.000 0.264 139 L C -0.698 176.184 176.870 0.019 0.000 1.008 139 L CA -0.296 54.594 54.840 0.084 0.000 0.819 139 L CB 2.079 44.279 42.059 0.234 0.000 1.339 139 L HN 0.510 nan 8.230 nan 0.000 0.420 140 Q N 1.818 121.593 119.800 -0.040 0.000 2.285 140 Q HA 0.619 4.960 4.340 0.002 0.000 0.269 140 Q C -1.920 173.981 176.000 -0.166 0.000 1.030 140 Q CA -0.458 55.290 55.803 -0.093 0.000 0.788 140 Q CB 1.942 30.632 28.738 -0.079 0.000 1.266 140 Q HN 0.581 nan 8.270 nan 0.000 0.438 141 L N 4.031 125.124 121.223 -0.217 0.000 2.265 141 L HA 0.519 4.860 4.340 0.002 0.000 0.289 141 L C -0.588 176.130 176.870 -0.252 0.000 1.033 141 L CA -0.625 54.070 54.840 -0.242 0.000 0.814 141 L CB 1.118 43.029 42.059 -0.246 0.000 1.203 141 L HN 0.584 nan 8.230 nan 0.000 0.423 142 N N 4.018 122.631 118.700 -0.144 0.000 2.446 142 N HA 0.352 5.093 4.740 0.002 0.000 0.265 142 N C -1.008 174.504 175.510 0.003 0.000 0.975 142 N CA -0.551 52.401 53.050 -0.164 0.000 0.928 142 N CB 1.658 40.093 38.487 -0.086 0.000 1.160 142 N HN 0.207 nan 8.380 nan 0.000 0.495 143 F N 3.105 122.929 119.950 -0.209 0.000 2.445 143 F HA 0.383 4.911 4.527 0.002 0.000 0.359 143 F C 1.172 176.870 175.800 -0.171 0.000 1.101 143 F CA -1.258 56.546 58.000 -0.327 0.000 1.177 143 F CB -0.129 38.392 39.000 -0.797 0.000 1.110 143 F HN 0.305 nan 8.300 nan 0.000 0.522 144 I N -0.536 120.119 120.570 0.142 0.000 2.957 144 I HA 0.525 4.697 4.170 0.002 0.000 0.310 144 I C -0.166 176.024 176.117 0.123 0.000 1.063 144 I CA -1.488 59.864 61.300 0.085 0.000 1.033 144 I CB 1.918 39.946 38.000 0.046 0.000 1.230 144 I HN 0.402 nan 8.210 nan 0.000 0.447 145 K N 2.484 122.931 120.400 0.079 0.000 2.430 145 K HA 0.188 4.509 4.320 0.002 0.000 0.280 145 K C 0.937 177.596 176.600 0.098 0.000 1.063 145 K CA 1.303 57.641 56.287 0.085 0.000 1.071 145 K CB -0.228 32.301 32.500 0.049 0.000 0.899 145 K HN 1.109 nan 8.250 nan 0.000 0.473 146 G N 2.382 111.254 108.800 0.120 0.000 2.155 146 G HA2 -0.232 3.730 3.960 0.002 0.000 0.257 146 G HA3 -0.232 3.730 3.960 0.002 0.000 0.257 146 G C 0.221 175.189 174.900 0.114 0.000 0.983 146 G CA 0.083 45.239 45.100 0.094 0.000 0.676 146 G HN 1.075 nan 8.290 nan 0.000 0.528 147 G N -1.676 107.233 108.800 0.181 0.000 2.606 147 G HA2 0.749 4.711 3.960 0.002 0.000 0.300 147 G HA3 0.749 4.711 3.960 0.002 0.000 0.300 147 G C -1.768 173.304 174.900 0.288 0.000 1.360 147 G CA -0.133 45.083 45.100 0.193 0.000 0.783 147 G HN 1.346 nan 8.290 nan 0.000 0.484 148 L N -0.273 121.109 121.223 0.264 0.000 2.464 148 L HA 0.781 5.123 4.340 0.002 0.000 0.266 148 L C -1.336 175.672 176.870 0.229 0.000 0.965 148 L CA -0.636 54.377 54.840 0.287 0.000 0.833 148 L CB 1.858 44.081 42.059 0.275 0.000 1.296 148 L HN 0.481 nan 8.230 nan 0.000 0.405 149 I N 5.605 126.268 120.570 0.154 0.000 2.355 149 I HA 0.360 4.532 4.170 0.002 0.000 0.288 149 I C -0.984 175.168 176.117 0.057 0.000 0.999 149 I CA -0.720 60.656 61.300 0.127 0.000 1.163 149 I CB 1.734 39.796 38.000 0.103 0.000 1.316 149 I HN 0.465 nan 8.210 nan 0.000 0.454 150 L N 7.169 128.423 121.223 0.052 0.000 2.264 150 L HA 0.543 4.885 4.340 0.002 0.000 0.289 150 L C -0.339 176.508 176.870 -0.038 0.000 1.044 150 L CA 0.556 55.347 54.840 -0.081 0.000 0.807 150 L CB 1.302 43.265 42.059 -0.160 0.000 1.192 150 L HN 0.484 nan 8.230 nan 0.000 0.425 151 T N 4.702 119.224 114.554 -0.052 0.000 2.807 151 T HA 0.655 5.007 4.350 0.002 0.000 0.279 151 T C -0.785 173.906 174.700 -0.015 0.000 0.993 151 T CA -0.432 61.657 62.100 -0.019 0.000 0.970 151 T CB 1.582 70.450 68.868 -0.001 0.000 0.950 151 T HN 0.363 nan 8.240 nan 0.000 0.441 152 V N 3.870 123.781 119.914 -0.005 0.000 2.487 152 V HA 0.480 4.602 4.120 0.002 0.000 0.298 152 V C -0.434 175.662 176.094 0.002 0.000 1.028 152 V CA -1.052 61.260 62.300 0.020 0.000 0.860 152 V CB 1.713 33.564 31.823 0.046 0.000 0.991 152 V HN 0.748 nan 8.190 nan 0.000 0.427 153 N N 2.620 121.339 118.700 0.032 0.000 2.421 153 N HA 0.714 5.455 4.740 0.002 0.000 0.285 153 N C 0.033 175.641 175.510 0.164 0.000 1.027 153 N CA -0.049 53.052 53.050 0.085 0.000 0.918 153 N CB 2.002 40.516 38.487 0.044 0.000 1.152 153 N HN 0.937 nan 8.380 nan 0.000 0.485 154 G N 0.672 109.556 108.800 0.140 0.000 2.530 154 G HA2 0.213 4.174 3.960 0.002 0.000 0.316 154 G HA3 0.213 4.174 3.960 0.002 0.000 0.316 154 G C -0.837 174.005 174.900 -0.097 0.000 1.298 154 G CA -0.438 44.695 45.100 0.056 0.000 0.948 154 G HN 0.297 nan 8.290 nan 0.000 0.486 155 Q N 0.938 120.583 119.800 -0.258 0.000 2.262 155 Q HA -0.022 4.319 4.340 0.002 0.000 0.272 155 Q C 0.810 176.623 176.000 -0.312 0.000 1.076 155 Q CA -0.186 55.202 55.803 -0.691 0.000 0.905 155 Q CB 0.421 28.886 28.738 -0.456 0.000 1.182 155 Q HN 0.760 nan 8.270 nan 0.000 0.390 156 H N 3.202 122.063 119.070 -0.348 0.000 2.491 156 H HA -0.037 4.521 4.556 0.002 0.000 0.290 156 H C 1.367 176.622 175.328 -0.122 0.000 1.050 156 H CA 1.353 57.301 56.048 -0.167 0.000 1.309 156 H CB 0.259 29.963 29.762 -0.097 0.000 1.392 156 H HN 0.771 nan 8.280 nan 0.000 0.554 157 G N -0.414 108.392 108.800 0.010 0.000 2.422 157 G HA2 -0.164 3.797 3.960 0.002 0.000 0.218 157 G HA3 -0.164 3.797 3.960 0.002 0.000 0.218 157 G C 1.814 176.693 174.900 -0.036 0.000 1.140 157 G CA 0.739 45.829 45.100 -0.017 0.000 0.775 157 G HN 0.500 nan 8.290 nan 0.000 0.545 158 A N -0.274 122.505 122.820 -0.069 0.000 2.081 158 A HA 0.584 4.905 4.320 0.002 0.000 0.214 158 A C 1.041 178.561 177.584 -0.107 0.000 1.158 158 A CA 1.109 53.087 52.037 -0.098 0.000 0.724 158 A CB -0.269 18.685 19.000 -0.077 0.000 0.826 158 A HN 0.634 nan 8.150 nan 0.000 0.463 159 M N -0.476 119.076 119.600 -0.081 0.000 2.373 159 M HA 0.464 4.946 4.480 0.002 0.000 0.290 159 M C -2.211 174.000 176.300 -0.149 0.000 1.143 159 M CA -0.951 54.282 55.300 -0.111 0.000 0.949 159 M CB 1.408 33.938 32.600 -0.116 0.000 1.756 159 M HN 0.093 nan 8.290 nan 0.000 0.494 160 D N 2.502 122.843 120.400 -0.098 0.000 2.478 160 D HA 0.327 4.968 4.640 0.002 0.000 0.269 160 D C 0.752 176.915 176.300 -0.228 0.000 1.232 160 D CA -0.628 53.291 54.000 -0.135 0.000 1.059 160 D CB 0.584 41.432 40.800 0.080 0.000 1.104 160 D HN 0.808 nan 8.370 nan 0.000 0.566 161 M N 0.044 119.495 119.600 -0.247 0.000 2.296 161 M HA -0.038 4.444 4.480 0.002 0.000 0.265 161 M C 1.179 177.329 176.300 -0.249 0.000 1.064 161 M CA 1.205 56.251 55.300 -0.422 0.000 1.109 161 M CB -0.349 31.705 32.600 -0.910 0.000 1.396 161 M HN 0.344 nan 8.290 nan 0.000 0.430 162 V N -0.053 119.798 119.914 -0.105 0.000 2.307 162 V HA -0.152 3.969 4.120 0.002 0.000 0.245 162 V C 2.461 178.527 176.094 -0.048 0.000 1.045 162 V CA 1.985 64.263 62.300 -0.036 0.000 1.024 162 V CB -1.845 29.998 31.823 0.032 0.000 0.651 162 V HN 0.630 nan 8.190 nan 0.000 0.449 163 G N -1.316 107.442 108.800 -0.069 0.000 2.418 163 G HA2 -0.326 3.636 3.960 0.002 0.000 0.217 163 G HA3 -0.326 3.636 3.960 0.002 0.000 0.217 163 G C 1.534 176.388 174.900 -0.077 0.000 1.158 163 G CA 0.966 46.011 45.100 -0.092 0.000 0.771 163 G HN 0.523 nan 8.290 nan 0.000 0.545 164 Q N -0.043 119.688 119.800 -0.114 0.000 2.084 164 Q HA -0.148 4.193 4.340 0.002 0.000 0.202 164 Q C 2.165 178.128 176.000 -0.062 0.000 0.978 164 Q CA 1.796 57.537 55.803 -0.103 0.000 0.844 164 Q CB -0.216 28.404 28.738 -0.196 0.000 0.898 164 Q HN 0.448 nan 8.270 nan 0.000 0.426 165 D N -0.409 119.947 120.400 -0.073 0.000 2.117 165 D HA -0.154 4.487 4.640 0.002 0.000 0.197 165 D C 1.686 177.990 176.300 0.007 0.000 0.987 165 D CA 1.566 55.574 54.000 0.013 0.000 0.829 165 D CB -0.205 40.604 40.800 0.015 0.000 0.961 165 D HN 0.379 nan 8.370 nan 0.000 0.460 166 A N -0.127 122.676 122.820 -0.027 0.000 1.902 166 A HA -0.127 4.195 4.320 0.002 0.000 0.217 166 A C 2.569 180.090 177.584 -0.105 0.000 1.181 166 A CA 1.728 53.727 52.037 -0.065 0.000 0.623 166 A CB -0.860 18.115 19.000 -0.040 0.000 0.818 166 A HN 0.216 nan 8.150 nan 0.000 0.443 167 V N 0.243 120.140 119.914 -0.028 0.000 2.295 167 V HA -0.269 3.852 4.120 0.002 0.000 0.246 167 V C 2.432 178.530 176.094 0.006 0.000 1.049 167 V CA 2.078 64.413 62.300 0.059 0.000 1.024 167 V CB -0.683 31.201 31.823 0.102 0.000 0.648 167 V HN 0.581 nan 8.190 nan 0.000 0.447 168 I N -0.393 120.175 120.570 -0.004 0.000 2.226 168 I HA -0.258 3.913 4.170 0.002 0.000 0.245 168 I C 2.731 178.653 176.117 -0.326 0.000 1.100 168 I CA 1.699 63.015 61.300 0.027 0.000 1.374 168 I CB -0.480 37.634 38.000 0.190 0.000 1.057 168 I HN 0.217 nan 8.210 nan 0.000 0.413 169 R N 1.306 121.452 120.500 -0.591 0.000 2.083 169 R HA -0.177 4.165 4.340 0.002 0.000 0.237 169 R C 2.319 178.167 176.300 -0.754 0.000 1.137 169 R CA 1.566 57.033 56.100 -1.054 0.000 0.951 169 R CB -0.176 29.729 30.300 -0.658 0.000 0.851 169 R HN 0.340 nan 8.270 nan 0.000 0.434 170 L N 0.541 121.355 121.223 -0.681 0.000 2.156 170 L HA -0.154 4.187 4.340 0.002 0.000 0.208 170 L C 2.438 178.746 176.870 -0.937 0.000 1.095 170 L CA 0.393 54.665 54.840 -0.947 0.000 0.770 170 L CB -0.454 40.802 42.059 -1.339 0.000 0.914 170 L HN 0.290 nan 8.230 nan 0.000 0.439 171 L N -0.530 120.204 121.223 -0.814 0.000 2.046 171 L HA -0.209 4.132 4.340 0.002 0.000 0.208 171 L C 2.681 179.438 176.870 -0.189 0.000 1.077 171 L CA 1.913 56.494 54.840 -0.432 0.000 0.747 171 L CB -0.669 41.410 42.059 0.035 0.000 0.896 171 L HN 0.106 nan 8.230 nan 0.000 0.432 172 S N -0.821 114.679 115.700 -0.333 0.000 2.356 172 S HA -0.227 4.244 4.470 0.002 0.000 0.223 172 S C 2.071 176.510 174.600 -0.270 0.000 1.032 172 S CA 1.543 59.447 58.200 -0.494 0.000 1.005 172 S CB -0.217 62.346 63.200 -1.062 0.000 0.867 172 S HN 0.544 nan 8.310 nan 0.000 0.449 173 K N 0.748 120.987 120.400 -0.268 0.000 2.032 173 K HA -0.100 4.221 4.320 0.002 0.000 0.209 173 K C 2.405 178.977 176.600 -0.045 0.000 1.048 173 K CA 1.341 57.567 56.287 -0.100 0.000 0.927 173 K CB -0.469 32.042 32.500 0.018 0.000 0.712 173 K HN 0.446 nan 8.250 nan 0.000 0.441 174 A N 1.116 123.909 122.820 -0.045 0.000 1.902 174 A HA -0.191 4.130 4.320 0.002 0.000 0.217 174 A C 2.468 180.008 177.584 -0.073 0.000 1.181 174 A CA 1.569 53.552 52.037 -0.090 0.000 0.623 174 A CB -0.994 17.953 19.000 -0.089 0.000 0.818 174 A HN 0.434 nan 8.150 nan 0.000 0.443 175 C N -0.889 118.385 119.300 -0.043 0.000 2.413 175 C HA -0.088 4.374 4.460 0.002 0.000 0.277 175 C C 2.736 177.730 174.990 0.007 0.000 1.265 175 C CA 1.168 60.191 59.018 0.009 0.000 1.752 175 C CB -1.321 26.498 27.740 0.132 0.000 1.998 175 C HN 0.577 nan 8.230 nan 0.000 0.489 176 R N 0.390 120.880 120.500 -0.016 0.000 2.275 176 R HA 0.008 4.349 4.340 0.002 0.000 0.199 176 R C 0.795 177.073 176.300 -0.036 0.000 0.989 176 R CA 0.438 56.526 56.100 -0.020 0.000 1.016 176 R CB -0.253 30.028 30.300 -0.032 0.000 0.918 176 R HN 0.460 nan 8.270 nan 0.000 0.473 177 N N 1.254 119.919 118.700 -0.058 0.000 2.776 177 N HA -0.143 4.598 4.740 0.002 0.000 0.249 177 N C -1.604 173.856 175.510 -0.083 0.000 1.111 177 N CA 0.753 53.754 53.050 -0.082 0.000 0.711 177 N CB -1.010 37.439 38.487 -0.063 0.000 1.065 177 N HN 0.180 nan 8.380 nan 0.000 0.556 178 D N 0.637 120.994 120.400 -0.070 0.000 2.256 178 D HA 0.319 4.960 4.640 0.002 0.000 0.250 178 D C -1.941 174.324 176.300 -0.058 0.000 1.093 178 D CA -0.908 53.063 54.000 -0.049 0.000 0.882 178 D CB 0.792 41.576 40.800 -0.027 0.000 1.185 178 D HN 0.221 nan 8.370 nan 0.000 0.437 179 P HA 0.171 nan 4.420 nan 0.000 0.275 179 P C -0.446 176.914 177.300 0.100 0.000 1.228 179 P CA -0.385 62.673 63.100 -0.071 0.000 0.786 179 P CB 0.489 32.162 31.700 -0.045 0.000 0.927 180 F N 0.527 120.431 119.950 -0.077 0.000 2.389 180 F HA 0.204 4.732 4.527 0.002 0.000 0.337 180 F C 1.733 177.505 175.800 -0.046 0.000 1.112 180 F CA -0.839 57.115 58.000 -0.077 0.000 1.192 180 F CB -0.204 38.753 39.000 -0.071 0.000 1.185 180 F HN 0.240 nan 8.300 nan 0.000 0.552 181 T N -2.167 112.472 114.554 0.143 0.000 2.828 181 T HA 0.114 4.466 4.350 0.002 0.000 0.290 181 T C 1.131 175.878 174.700 0.078 0.000 1.019 181 T CA -0.092 62.053 62.100 0.075 0.000 1.031 181 T CB 1.434 70.322 68.868 0.033 0.000 1.001 181 T HN 0.545 nan 8.240 nan 0.000 0.531 182 E N 0.170 120.404 120.200 0.056 0.000 2.085 182 E HA -0.197 4.154 4.350 0.002 0.000 0.194 182 E C 1.998 178.627 176.600 0.049 0.000 0.994 182 E CA 1.719 58.151 56.400 0.053 0.000 0.801 182 E CB -0.625 29.098 29.700 0.038 0.000 0.743 182 E HN 0.803 nan 8.360 nan 0.000 0.453 183 E N 0.253 120.474 120.200 0.035 0.000 2.110 183 E HA -0.220 4.131 4.350 0.002 0.000 0.193 183 E C 2.132 178.748 176.600 0.027 0.000 0.988 183 E CA 1.771 58.188 56.400 0.029 0.000 0.804 183 E CB -0.234 29.477 29.700 0.018 0.000 0.745 183 E HN 0.627 nan 8.360 nan 0.000 0.458 184 E N -0.372 119.834 120.200 0.009 0.000 2.051 184 E HA -0.158 4.194 4.350 0.002 0.000 0.192 184 E C 2.206 178.809 176.600 0.005 0.000 0.991 184 E CA 1.189 57.568 56.400 -0.036 0.000 0.799 184 E CB -0.073 29.548 29.700 -0.131 0.000 0.748 184 E HN 0.224 nan 8.360 nan 0.000 0.449 185 M N 0.374 120.013 119.600 0.065 0.000 2.159 185 M HA -0.121 4.360 4.480 0.002 0.000 0.263 185 M C 2.286 178.652 176.300 0.110 0.000 1.063 185 M CA 1.423 56.793 55.300 0.117 0.000 1.110 185 M CB -1.011 31.676 32.600 0.146 0.000 1.374 185 M HN 0.114 nan 8.290 nan 0.000 0.411 186 T N 1.194 115.800 114.554 0.086 0.000 2.708 186 T HA -0.056 4.296 4.350 0.002 0.000 0.266 186 T C 1.911 176.674 174.700 0.106 0.000 1.037 186 T CA 1.699 63.849 62.100 0.084 0.000 1.146 186 T CB -0.318 68.585 68.868 0.058 0.000 0.865 186 T HN 0.488 nan 8.240 nan 0.000 0.435 187 A N 1.811 124.692 122.820 0.103 0.000 1.908 187 A HA -0.068 4.254 4.320 0.002 0.000 0.218 187 A C 2.210 179.920 177.584 0.209 0.000 1.181 187 A CA 1.355 53.482 52.037 0.150 0.000 0.627 187 A CB -0.582 18.488 19.000 0.116 0.000 0.818 187 A HN 0.330 nan 8.150 nan 0.000 0.445 188 M N -0.558 119.150 119.600 0.180 0.000 2.549 188 M HA -0.049 4.433 4.480 0.002 0.000 0.260 188 M C 0.449 176.978 176.300 0.382 0.000 1.076 188 M CA 1.137 56.607 55.300 0.282 0.000 1.090 188 M CB -1.308 31.420 32.600 0.213 0.000 1.418 188 M HN 0.536 nan 8.290 nan 0.000 0.486 189 N N -0.873 117.977 118.700 0.249 0.000 2.160 189 N HA 0.256 4.998 4.740 0.002 0.000 0.226 189 N C -0.480 175.103 175.510 0.122 0.000 1.256 189 N CA -0.171 52.999 53.050 0.200 0.000 0.890 189 N CB 0.911 39.511 38.487 0.188 0.000 1.116 189 N HN 0.152 nan 8.380 nan 0.000 0.517 190 L N 1.151 122.461 121.223 0.146 0.000 2.525 190 L HA 0.023 4.365 4.340 0.002 0.000 0.278 190 L C 0.438 177.349 176.870 0.070 0.000 1.218 190 L CA 0.125 55.022 54.840 0.094 0.000 0.878 190 L CB 0.188 42.293 42.059 0.078 0.000 1.127 190 L HN 0.167 nan 8.230 nan 0.000 0.492 191 D N 1.915 122.323 120.400 0.013 0.000 2.458 191 D HA 0.020 4.661 4.640 0.002 0.000 0.243 191 D C 1.050 177.338 176.300 -0.019 0.000 1.146 191 D CA 0.248 54.244 54.000 -0.007 0.000 0.877 191 D CB 0.833 41.624 40.800 -0.016 0.000 1.176 191 D HN 0.343 nan 8.370 nan 0.000 0.461 192 R N 2.832 123.328 120.500 -0.008 0.000 2.112 192 R HA -0.013 4.328 4.340 0.002 0.000 0.216 192 R C 1.875 178.148 176.300 -0.046 0.000 1.080 192 R CA 0.571 56.681 56.100 0.017 0.000 0.996 192 R CB -0.092 30.219 30.300 0.018 0.000 0.902 192 R HN 0.488 nan 8.270 nan 0.000 0.449 193 K N 1.202 121.571 120.400 -0.051 0.000 2.442 193 K HA -0.034 4.287 4.320 0.002 0.000 0.198 193 K C 1.097 177.627 176.600 -0.116 0.000 1.042 193 K CA 1.695 57.951 56.287 -0.051 0.000 0.958 193 K CB 0.042 32.533 32.500 -0.014 0.000 0.766 193 K HN 0.112 nan 8.250 nan 0.000 0.474 194 T N -2.429 112.035 114.554 -0.150 0.000 3.044 194 T HA 0.226 4.578 4.350 0.002 0.000 0.260 194 T C 1.470 176.008 174.700 -0.269 0.000 1.019 194 T CA -0.498 61.461 62.100 -0.235 0.000 0.921 194 T CB -0.064 68.711 68.868 -0.154 0.000 1.053 194 T HN 0.205 nan 8.240 nan 0.000 0.533 195 I N 1.550 121.977 120.570 -0.239 0.000 2.676 195 I HA 0.107 4.278 4.170 0.002 0.000 0.259 195 I C -0.266 175.695 176.117 -0.260 0.000 1.194 195 I CA 0.689 61.831 61.300 -0.263 0.000 1.473 195 I CB 0.400 38.194 38.000 -0.343 0.000 1.096 195 I HN 0.081 nan 8.210 nan 0.000 0.443 196 V N 3.166 122.908 119.914 -0.287 0.000 2.313 196 V HA 0.306 4.427 4.120 0.002 0.000 0.278 196 V C -2.291 173.529 176.094 -0.455 0.000 1.017 196 V CA -1.598 60.536 62.300 -0.278 0.000 0.823 196 V CB 0.626 32.343 31.823 -0.178 0.000 1.010 196 V HN 0.065 nan 8.190 nan 0.000 0.443 197 P HA 0.161 nan 4.420 nan 0.000 0.267 197 P C -0.624 176.501 177.300 -0.292 0.000 1.205 197 P CA 0.146 63.035 63.100 -0.351 0.000 0.765 197 P CB 0.194 31.783 31.700 -0.185 0.000 0.828 198 Y N 1.248 121.483 120.300 -0.108 0.000 2.314 198 Y HA 0.205 4.756 4.550 0.002 0.000 0.334 198 Y C 1.163 177.018 175.900 -0.075 0.000 1.266 198 Y CA -0.951 57.088 58.100 -0.101 0.000 1.391 198 Y CB 0.392 38.791 38.460 -0.101 0.000 1.306 198 Y HN 0.105 nan 8.280 nan 0.000 0.558 199 L N 1.900 123.178 121.223 0.091 0.000 2.371 199 L HA 0.354 4.695 4.340 0.002 0.000 0.272 199 L C 0.461 177.401 176.870 0.116 0.000 1.124 199 L CA -0.493 54.366 54.840 0.032 0.000 0.816 199 L CB 0.542 42.526 42.059 -0.126 0.000 1.129 199 L HN 0.746 nan 8.230 nan 0.000 0.448 200 E N 2.474 122.739 120.200 0.110 0.000 2.313 200 E HA 0.147 4.499 4.350 0.002 0.000 0.276 200 E C 0.357 177.039 176.600 0.137 0.000 1.031 200 E CA -0.616 55.852 56.400 0.112 0.000 0.857 200 E CB 0.203 29.951 29.700 0.079 0.000 1.040 200 E HN 0.757 nan 8.360 nan 0.000 0.408 201 N N -0.048 118.724 118.700 0.119 0.000 2.727 201 N HA -0.197 4.545 4.740 0.002 0.000 0.249 201 N C -0.914 174.676 175.510 0.134 0.000 1.048 201 N CA 1.021 54.130 53.050 0.099 0.000 0.714 201 N CB -1.535 36.991 38.487 0.064 0.000 0.959 201 N HN 0.708 nan 8.380 nan 0.000 0.544 202 Y N 0.522 120.842 120.300 0.033 0.000 2.320 202 Y HA 0.390 4.941 4.550 0.002 0.000 0.334 202 Y C 1.758 177.683 175.900 0.040 0.000 1.055 202 Y CA 0.415 58.541 58.100 0.044 0.000 1.143 202 Y CB 0.932 39.431 38.460 0.065 0.000 1.193 202 Y HN 0.184 nan 8.280 nan 0.000 0.477 203 T N 3.615 117.916 114.554 -0.421 0.000 3.348 203 T HA 0.307 4.658 4.350 0.002 0.000 0.233 203 T C -0.112 174.341 174.700 -0.412 0.000 0.960 203 T CA 0.143 62.073 62.100 -0.283 0.000 1.343 203 T CB 0.102 68.868 68.868 -0.171 0.000 1.068 203 T HN 0.509 nan 8.240 nan 0.000 0.410 204 I N 0.626 120.855 120.570 -0.567 0.000 2.722 204 I HA 0.639 4.811 4.170 0.002 0.000 0.292 204 I C -1.013 174.878 176.117 -0.376 0.000 1.267 204 I CA -0.581 60.480 61.300 -0.398 0.000 1.036 204 I CB 1.865 39.797 38.000 -0.114 0.000 1.281 204 I HN 0.661 nan 8.210 nan 0.000 0.423 205 G N 5.300 114.004 108.800 -0.160 0.000 2.827 205 G HA2 0.480 4.442 3.960 0.002 0.000 0.296 205 G HA3 0.480 4.442 3.960 0.002 0.000 0.296 205 G C -2.694 172.223 174.900 0.028 0.000 1.362 205 G CA -0.652 44.441 45.100 -0.011 0.000 0.809 205 G HN 0.335 nan 8.290 nan 0.000 0.522 206 P HA -0.032 nan 4.420 nan 0.000 0.225 206 P C 0.933 178.241 177.300 0.013 0.000 1.148 206 P CA 0.952 64.046 63.100 -0.010 0.000 0.779 206 P CB 0.377 32.080 31.700 0.005 0.000 0.780 207 E N 0.223 120.471 120.200 0.081 0.000 2.171 207 E HA -0.131 4.221 4.350 0.002 0.000 0.197 207 E C 1.633 178.261 176.600 0.047 0.000 0.997 207 E CA 1.465 57.912 56.400 0.078 0.000 0.810 207 E CB -0.749 29.006 29.700 0.092 0.000 0.738 207 E HN 0.286 nan 8.360 nan 0.000 0.467 208 V N -1.610 118.306 119.914 0.004 0.000 3.271 208 V HA 0.171 4.293 4.120 0.002 0.000 0.327 208 V C -0.161 175.818 176.094 -0.191 0.000 1.389 208 V CA -0.513 61.733 62.300 -0.090 0.000 1.156 208 V CB -0.213 31.497 31.823 -0.189 0.000 1.103 208 V HN -0.141 nan 8.190 nan 0.000 0.453 209 D N 2.135 122.407 120.400 -0.214 0.000 2.525 209 D HA 0.084 4.726 4.640 0.002 0.000 0.235 209 D C 1.074 177.031 176.300 -0.571 0.000 1.137 209 D CA 1.102 54.829 54.000 -0.454 0.000 0.868 209 D CB -0.037 40.459 40.800 -0.507 0.000 1.180 209 D HN 0.577 nan 8.370 nan 0.000 0.465 210 H N 0.828 119.679 119.070 -0.366 0.000 3.211 210 H HA -0.186 4.371 4.556 0.003 0.000 0.240 210 H C 0.389 175.431 175.328 -0.477 0.000 1.148 210 H CA 1.005 56.726 56.048 -0.545 0.000 1.160 210 H CB -1.268 27.836 29.762 -1.097 0.000 1.232 210 H HN 0.591 nan 8.280 nan 0.000 0.321 211 Q N -0.038 119.617 119.800 -0.242 0.000 2.164 211 Q HA 0.397 4.739 4.340 0.002 0.000 0.226 211 Q C 0.288 176.216 176.000 -0.120 0.000 0.813 211 Q CA 0.113 55.837 55.803 -0.131 0.000 0.978 211 Q CB 1.596 30.296 28.738 -0.065 0.000 1.149 211 Q HN 0.323 nan 8.270 nan 0.000 0.489 212 I N 1.238 121.711 120.570 -0.161 0.000 2.418 212 I HA 0.252 4.423 4.170 0.002 0.000 0.287 212 I C -0.262 175.804 176.117 -0.085 0.000 1.008 212 I CA -1.035 60.185 61.300 -0.133 0.000 1.104 212 I CB 2.082 39.947 38.000 -0.225 0.000 1.264 212 I HN -0.228 nan 8.210 nan 0.000 0.438 213 V N 6.943 126.833 119.914 -0.041 0.000 2.585 213 V HA 0.104 4.226 4.120 0.002 0.000 0.296 213 V C 0.322 176.401 176.094 -0.026 0.000 1.035 213 V CA 0.143 62.427 62.300 -0.027 0.000 1.084 213 V CB 0.448 32.266 31.823 -0.007 0.000 0.953 213 V HN 0.666 nan 8.190 nan 0.000 0.483 214 K N 2.900 123.283 120.400 -0.029 0.000 2.375 214 K HA 0.641 4.963 4.320 0.002 0.000 0.249 214 K C 0.797 177.387 176.600 -0.016 0.000 0.942 214 K CA -0.365 55.908 56.287 -0.025 0.000 0.806 214 K CB 2.055 34.533 32.500 -0.037 0.000 1.227 214 K HN 0.595 nan 8.250 nan 0.000 0.430 215 A N 1.406 124.219 122.820 -0.012 0.000 2.067 215 A HA -0.145 4.176 4.320 0.002 0.000 0.219 215 A C 1.026 178.605 177.584 -0.009 0.000 1.158 215 A CA 1.835 53.867 52.037 -0.008 0.000 0.661 215 A CB -0.367 18.629 19.000 -0.006 0.000 0.801 215 A HN 0.818 nan 8.150 nan 0.000 0.452 216 D N -1.177 119.216 120.400 -0.012 0.000 2.368 216 D HA 0.212 4.853 4.640 0.002 0.000 0.218 216 D C -0.229 176.065 176.300 -0.011 0.000 1.112 216 D CA -0.048 53.946 54.000 -0.011 0.000 0.834 216 D CB -0.123 40.670 40.800 -0.012 0.000 0.953 216 D HN 0.076 nan 8.370 nan 0.000 0.505 217 V N 0.930 120.836 119.914 -0.013 0.000 2.443 217 V HA 0.636 4.757 4.120 0.002 0.000 0.293 217 V C 0.317 176.406 176.094 -0.009 0.000 1.021 217 V CA -1.466 60.828 62.300 -0.012 0.000 0.848 217 V CB 1.268 33.079 31.823 -0.019 0.000 0.998 217 V HN 0.327 nan 8.190 nan 0.000 0.424 218 A N 3.624 126.441 122.820 -0.005 0.000 2.498 218 A HA 0.755 5.076 4.320 0.002 0.000 0.239 218 A C 0.825 178.405 177.584 -0.006 0.000 1.068 218 A CA 0.976 53.010 52.037 -0.005 0.000 0.766 218 A CB 0.023 19.021 19.000 -0.003 0.000 1.003 218 A HN 1.988 nan 8.150 nan 0.000 0.497 228 S N 2.375 118.053 115.700 -0.036 0.000 2.455 228 S HA 0.845 5.316 4.470 0.002 0.000 0.278 228 S C 0.157 174.725 174.600 -0.054 0.000 1.216 228 S CA 0.642 58.821 58.200 -0.035 0.000 1.055 228 S CB 0.205 63.390 63.200 -0.025 0.000 0.939 228 S HN 2.568 nan 8.310 nan 0.000 0.494 229 A N 3.812 126.591 122.820 -0.068 0.000 2.532 229 A HA 0.925 5.247 4.320 0.002 0.000 0.290 229 A C -0.345 177.176 177.584 -0.106 0.000 1.143 229 A CA -0.505 51.467 52.037 -0.109 0.000 0.728 229 A CB 1.587 20.489 19.000 -0.164 0.000 1.317 229 A HN 1.302 nan 8.150 nan 0.000 0.414 230 S N -1.496 114.117 115.700 -0.144 0.000 2.671 230 S HA 0.765 5.237 4.470 0.002 0.000 0.277 230 S C -1.608 172.885 174.600 -0.179 0.000 1.165 230 S CA -0.638 57.508 58.200 -0.090 0.000 0.822 230 S CB 0.704 63.913 63.200 0.015 0.000 1.150 230 S HN 0.830 nan 8.310 nan 0.000 0.479 231 W N 0.336 121.616 121.300 -0.034 0.000 2.570 231 W HA 0.779 5.439 4.660 0.001 0.000 0.337 231 W C 0.004 176.509 176.519 -0.023 0.000 1.067 231 W CA -0.236 57.087 57.345 -0.037 0.000 1.229 231 W CB 2.256 31.646 29.460 -0.117 0.000 1.355 231 W HN 1.073 nan 8.180 nan 0.000 0.555 232 A N 3.080 126.100 122.820 0.334 0.000 2.547 232 A HA 0.693 5.014 4.320 0.002 0.000 0.297 232 A C -1.677 175.996 177.584 0.148 0.000 1.056 232 A CA -0.800 51.289 52.037 0.086 0.000 0.688 232 A CB 0.730 19.779 19.000 0.082 0.000 1.282 232 A HN 0.564 nan 8.150 nan 0.000 0.400 233 F N 0.650 120.562 119.950 -0.063 0.000 2.384 233 F HA 0.621 5.150 4.527 0.003 0.000 0.338 233 F C -0.411 175.224 175.800 -0.274 0.000 1.103 233 F CA -0.241 57.770 58.000 0.018 0.000 1.157 233 F CB 1.308 40.322 39.000 0.024 0.000 1.167 233 F HN 0.473 nan 8.300 nan 0.000 0.529 234 F N 0.361 120.577 119.950 0.444 0.000 2.529 234 F HA 0.368 4.896 4.527 0.003 0.000 0.320 234 F C 0.151 176.027 175.800 0.127 0.000 1.118 234 F CA -0.908 57.249 58.000 0.261 0.000 0.915 234 F CB 2.153 41.392 39.000 0.398 0.000 1.161 234 F HN 0.302 nan 8.300 nan 0.000 0.445 235 T N -0.649 113.961 114.554 0.094 0.000 2.902 235 T HA 0.738 5.090 4.350 0.002 0.000 0.283 235 T C -0.997 173.556 174.700 -0.245 0.000 1.009 235 T CA -0.585 61.548 62.100 0.055 0.000 1.051 235 T CB 1.068 69.975 68.868 0.065 0.000 0.999 235 T HN 0.244 nan 8.240 nan 0.000 0.474 236 F N 1.713 121.704 119.950 0.069 0.000 2.499 236 F HA 0.473 5.002 4.527 0.003 0.000 0.333 236 F C 1.003 176.809 175.800 0.010 0.000 1.138 236 F CA -0.891 57.108 58.000 -0.002 0.000 0.945 236 F CB 1.844 40.790 39.000 -0.090 0.000 1.181 236 F HN 0.882 nan 8.300 nan 0.000 0.435 237 S N 2.824 118.584 115.700 0.101 0.000 2.584 237 S HA 0.218 4.689 4.470 0.002 0.000 0.270 237 S C -1.951 172.684 174.600 0.058 0.000 1.346 237 S CA -0.883 57.352 58.200 0.059 0.000 1.018 237 S CB 1.056 64.265 63.200 0.015 0.000 0.899 237 S HN 0.377 nan 8.310 nan 0.000 0.542 238 P HA -0.117 nan 4.420 nan 0.000 0.216 238 P C 1.386 178.683 177.300 -0.005 0.000 1.150 238 P CA 1.342 64.451 63.100 0.015 0.000 0.843 238 P CB 0.059 31.757 31.700 -0.002 0.000 0.787 239 K N -0.418 119.979 120.400 -0.005 0.000 2.057 239 K HA -0.090 4.231 4.320 0.002 0.000 0.206 239 K C 2.042 178.644 176.600 0.003 0.000 1.050 239 K CA 1.338 57.619 56.287 -0.011 0.000 0.935 239 K CB -0.613 31.875 32.500 -0.019 0.000 0.715 239 K HN -0.057 nan 8.250 nan 0.000 0.439 240 A N 1.227 124.064 122.820 0.028 0.000 1.883 240 A HA -0.204 4.117 4.320 0.002 0.000 0.217 240 A C 2.110 179.717 177.584 0.039 0.000 1.186 240 A CA 1.683 53.791 52.037 0.119 0.000 0.624 240 A CB -0.459 18.642 19.000 0.168 0.000 0.822 240 A HN 0.275 nan 8.150 nan 0.000 0.444 241 M N 0.723 120.286 119.600 -0.061 0.000 2.086 241 M HA -0.138 4.343 4.480 0.002 0.000 0.261 241 M C 2.534 178.718 176.300 -0.193 0.000 1.067 241 M CA 2.165 57.325 55.300 -0.233 0.000 1.116 241 M CB -1.709 30.723 32.600 -0.281 0.000 1.348 241 M HN 0.686 nan 8.290 nan 0.000 0.407 242 S N -0.264 115.374 115.700 -0.103 0.000 2.402 242 S HA -0.123 4.348 4.470 0.002 0.000 0.229 242 S C 1.729 176.292 174.600 -0.062 0.000 1.021 242 S CA 1.197 59.350 58.200 -0.078 0.000 0.974 242 S CB -0.557 62.616 63.200 -0.046 0.000 0.800 242 S HN 0.550 nan 8.310 nan 0.000 0.484 243 E N 1.224 121.409 120.200 -0.024 0.000 2.106 243 E HA 0.028 4.380 4.350 0.002 0.000 0.192 243 E C 2.061 178.639 176.600 -0.036 0.000 0.984 243 E CA 1.035 57.452 56.400 0.029 0.000 0.806 243 E CB -0.341 29.439 29.700 0.133 0.000 0.750 243 E HN 0.500 nan 8.360 nan 0.000 0.458 244 L N 1.031 122.136 121.223 -0.197 0.000 2.017 244 L HA -0.201 4.141 4.340 0.002 0.000 0.208 244 L C 2.655 179.380 176.870 -0.240 0.000 1.073 244 L CA 1.250 55.842 54.840 -0.414 0.000 0.745 244 L CB -0.331 41.338 42.059 -0.651 0.000 0.894 244 L HN 0.052 nan 8.230 nan 0.000 0.432 245 K N 0.190 120.476 120.400 -0.190 0.000 2.057 245 K HA -0.253 4.068 4.320 0.002 0.000 0.207 245 K C 1.777 178.333 176.600 -0.073 0.000 1.049 245 K CA 1.947 58.161 56.287 -0.123 0.000 0.931 245 K CB -0.064 32.373 32.500 -0.105 0.000 0.714 245 K HN 0.188 nan 8.250 nan 0.000 0.440 246 D N 0.125 120.489 120.400 -0.061 0.000 2.104 246 D HA -0.172 4.470 4.640 0.002 0.000 0.194 246 D C 1.685 177.968 176.300 -0.028 0.000 0.994 246 D CA 1.791 55.771 54.000 -0.032 0.000 0.830 246 D CB -0.105 40.683 40.800 -0.020 0.000 0.959 246 D HN 0.309 nan 8.370 nan 0.000 0.452 247 A N 0.389 123.186 122.820 -0.039 0.000 1.908 247 A HA 0.012 4.334 4.320 0.002 0.000 0.218 247 A C 2.397 179.963 177.584 -0.030 0.000 1.181 247 A CA 2.450 54.471 52.037 -0.027 0.000 0.627 247 A CB -1.143 17.836 19.000 -0.036 0.000 0.818 247 A HN 0.359 nan 8.150 nan 0.000 0.445 248 A N -1.154 121.636 122.820 -0.051 0.000 1.873 248 A HA -0.065 4.256 4.320 0.002 0.000 0.215 248 A C 2.300 179.871 177.584 -0.022 0.000 1.186 248 A CA 2.225 54.238 52.037 -0.040 0.000 0.616 248 A CB -1.292 17.676 19.000 -0.055 0.000 0.823 248 A HN 0.420 nan 8.150 nan 0.000 0.442 249 T N 0.069 114.614 114.554 -0.015 0.000 2.788 249 T HA -0.124 4.228 4.350 0.002 0.000 0.268 249 T C 1.790 176.492 174.700 0.004 0.000 1.044 249 T CA 1.730 63.833 62.100 0.005 0.000 1.139 249 T CB -0.204 68.671 68.868 0.011 0.000 0.867 249 T HN 0.522 nan 8.240 nan 0.000 0.454 250 K N 0.956 121.355 120.400 -0.002 0.000 2.442 250 K HA -0.019 4.302 4.320 0.002 0.000 0.198 250 K C 1.407 178.006 176.600 -0.001 0.000 1.042 250 K CA 1.159 57.446 56.287 0.000 0.000 0.958 250 K CB 0.113 32.613 32.500 0.000 0.000 0.766 250 K HN 0.440 nan 8.250 nan 0.000 0.474 251 T N -1.870 112.680 114.554 -0.006 0.000 3.380 251 T HA 0.320 4.672 4.350 0.002 0.000 0.289 251 T C 0.185 174.876 174.700 -0.014 0.000 1.012 251 T CA -0.544 61.551 62.100 -0.009 0.000 0.944 251 T CB -0.142 68.720 68.868 -0.010 0.000 1.172 251 T HN -0.119 nan 8.240 nan 0.000 0.502 252 L N 1.641 122.856 121.223 -0.012 0.000 2.439 252 L HA 0.369 4.710 4.340 0.002 0.000 0.269 252 L C 0.288 177.147 176.870 -0.019 0.000 1.179 252 L CA -0.661 54.168 54.840 -0.019 0.000 0.828 252 L CB 0.258 42.308 42.059 -0.015 0.000 1.106 252 L HN 0.205 nan 8.230 nan 0.000 0.467 253 D N 0.906 121.291 120.400 -0.025 0.000 2.419 253 D HA 0.048 4.689 4.640 0.002 0.000 0.236 253 D C 0.815 177.104 176.300 -0.018 0.000 1.165 253 D CA 0.339 54.326 54.000 -0.021 0.000 0.882 253 D CB 1.144 41.930 40.800 -0.023 0.000 1.201 253 D HN 0.625 nan 8.370 nan 0.000 0.443 254 A N 1.413 124.226 122.820 -0.013 0.000 1.978 254 A HA -0.184 4.138 4.320 0.002 0.000 0.220 254 A C 1.945 179.522 177.584 -0.012 0.000 1.170 254 A CA 1.988 54.020 52.037 -0.009 0.000 0.636 254 A CB -0.521 18.476 19.000 -0.005 0.000 0.810 254 A HN 0.524 nan 8.150 nan 0.000 0.448 255 S N -1.574 114.115 115.700 -0.017 0.000 2.561 255 S HA 0.064 4.536 4.470 0.002 0.000 0.225 255 S C 0.491 175.066 174.600 -0.043 0.000 0.977 255 S CA 0.733 58.920 58.200 -0.022 0.000 0.926 255 S CB -0.382 62.807 63.200 -0.018 0.000 0.769 255 S HN 0.298 nan 8.310 nan 0.000 0.533 256 T N 2.901 117.424 114.554 -0.053 0.000 2.809 256 T HA 0.378 4.729 4.350 0.002 0.000 0.296 256 T C 0.558 175.210 174.700 -0.081 0.000 1.015 256 T CA -0.837 61.204 62.100 -0.098 0.000 0.954 256 T CB 1.612 70.419 68.868 -0.102 0.000 0.950 256 T HN 0.057 nan 8.240 nan 0.000 0.450 257 K N 2.103 122.443 120.400 -0.100 0.000 2.097 257 K HA 0.080 4.402 4.320 0.002 0.000 0.205 257 K C 0.465 177.145 176.600 0.133 0.000 1.050 257 K CA 1.160 57.465 56.287 0.030 0.000 0.938 257 K CB 0.001 32.578 32.500 0.128 0.000 0.718 257 K HN 0.720 nan 8.250 nan 0.000 0.442 258 F N -1.914 118.035 119.950 -0.003 0.000 2.693 258 F HA 0.465 4.994 4.527 0.002 0.000 0.309 258 F C -0.831 174.964 175.800 -0.009 0.000 1.129 258 F CA -1.910 56.086 58.000 -0.007 0.000 0.948 258 F CB 0.894 39.892 39.000 -0.005 0.000 1.315 258 F HN -0.240 nan 8.300 nan 0.000 0.447 259 V N -0.605 119.418 119.914 0.182 0.000 3.126 259 V HA 0.936 5.058 4.120 0.002 0.000 0.314 259 V C -0.280 175.948 176.094 0.223 0.000 1.138 259 V CA -0.389 61.975 62.300 0.106 0.000 1.034 259 V CB 1.045 32.867 31.823 -0.000 0.000 1.075 259 V HN 1.373 nan 8.190 nan 0.000 0.442 260 S N -0.214 115.574 115.700 0.147 0.000 2.722 260 S HA 0.396 4.867 4.470 0.002 0.000 0.292 260 S C 0.945 175.558 174.600 0.022 0.000 1.135 260 S CA 0.259 58.528 58.200 0.116 0.000 1.003 260 S CB 1.148 64.430 63.200 0.137 0.000 1.067 260 S HN 0.908 nan 8.310 nan 0.000 0.546 261 T N 1.141 115.688 114.554 -0.011 0.000 2.665 261 T HA -0.173 4.179 4.350 0.002 0.000 0.268 261 T C 1.404 176.004 174.700 -0.166 0.000 1.035 261 T CA 1.897 63.920 62.100 -0.128 0.000 1.151 261 T CB -0.694 68.093 68.868 -0.134 0.000 0.862 261 T HN 0.792 nan 8.240 nan 0.000 0.438 262 D N 0.839 121.242 120.400 0.006 0.000 2.123 262 D HA -0.141 4.500 4.640 0.002 0.000 0.196 262 D C 1.703 178.078 176.300 0.126 0.000 0.992 262 D CA 1.115 55.207 54.000 0.154 0.000 0.833 262 D CB -0.184 40.798 40.800 0.303 0.000 0.954 262 D HN 0.243 nan 8.370 nan 0.000 0.455 263 D N 0.383 120.814 120.400 0.053 0.000 2.116 263 D HA -0.156 4.486 4.640 0.002 0.000 0.193 263 D C 1.977 178.253 176.300 -0.041 0.000 0.998 263 D CA 1.486 55.480 54.000 -0.010 0.000 0.836 263 D CB -0.470 40.316 40.800 -0.023 0.000 0.951 263 D HN 0.278 nan 8.370 nan 0.000 0.449 264 A N 0.549 123.326 122.820 -0.072 0.000 1.877 264 A HA -0.134 4.188 4.320 0.002 0.000 0.216 264 A C 2.157 179.671 177.584 -0.117 0.000 1.186 264 A CA 1.069 53.038 52.037 -0.112 0.000 0.620 264 A CB -0.730 18.169 19.000 -0.168 0.000 0.822 264 A HN 0.240 nan 8.150 nan 0.000 0.443 265 L N 0.092 121.196 121.223 -0.199 0.000 2.056 265 L HA -0.081 4.261 4.340 0.002 0.000 0.207 265 L C 2.517 179.476 176.870 0.149 0.000 1.078 265 L CA 2.515 57.218 54.840 -0.227 0.000 0.749 265 L CB -0.796 40.874 42.059 -0.649 0.000 0.901 265 L HN 0.307 nan 8.230 nan 0.000 0.433 266 S N -0.002 115.863 115.700 0.275 0.000 2.359 266 S HA -0.210 4.262 4.470 0.002 0.000 0.224 266 S C 2.101 176.785 174.600 0.140 0.000 1.035 266 S CA 1.268 59.652 58.200 0.306 0.000 1.018 266 S CB -0.720 62.546 63.200 0.110 0.000 0.876 266 S HN 0.673 nan 8.310 nan 0.000 0.448 267 A N 0.866 123.706 122.820 0.033 0.000 1.902 267 A HA -0.060 4.262 4.320 0.002 0.000 0.217 267 A C 1.912 179.600 177.584 0.172 0.000 1.181 267 A CA 1.402 53.474 52.037 0.058 0.000 0.623 267 A CB -0.848 18.149 19.000 -0.005 0.000 0.818 267 A HN 0.490 nan 8.150 nan 0.000 0.443 268 F N 0.579 120.540 119.950 0.019 0.000 2.171 268 F HA -0.128 4.400 4.527 0.002 0.000 0.300 268 F C 1.888 177.821 175.800 0.221 0.000 1.090 268 F CA 1.526 59.549 58.000 0.038 0.000 1.293 268 F CB -0.188 38.742 39.000 -0.116 0.000 1.013 268 F HN 0.183 nan 8.300 nan 0.000 0.486 269 I N -1.492 119.262 120.570 0.308 0.000 2.252 269 I HA -0.280 3.892 4.170 0.002 0.000 0.245 269 I C 2.184 178.463 176.117 0.271 0.000 1.102 269 I CA 1.056 62.555 61.300 0.331 0.000 1.385 269 I CB -0.690 37.591 38.000 0.469 0.000 1.064 269 I HN 0.322 nan 8.210 nan 0.000 0.414 270 W N 2.441 123.832 121.300 0.151 0.000 2.358 270 W HA -0.231 4.430 4.660 0.002 0.000 0.303 270 W C 2.587 179.107 176.519 0.001 0.000 1.208 270 W CA 1.619 59.048 57.345 0.140 0.000 1.274 270 W CB -0.412 29.148 29.460 0.166 0.000 1.138 270 W HN 0.018 nan 8.180 nan 0.000 0.515 271 K N -0.255 120.179 120.400 0.057 0.000 2.026 271 K HA -0.150 4.172 4.320 0.002 0.000 0.208 271 K C 2.204 178.720 176.600 -0.141 0.000 1.048 271 K CA 2.079 58.288 56.287 -0.129 0.000 0.929 271 K CB -0.361 32.068 32.500 -0.118 0.000 0.713 271 K HN -0.039 nan 8.250 nan 0.000 0.439 272 S N 0.626 116.207 115.700 -0.197 0.000 2.368 272 S HA -0.109 4.362 4.470 0.002 0.000 0.224 272 S C 2.054 176.524 174.600 -0.216 0.000 1.029 272 S CA 1.089 59.147 58.200 -0.238 0.000 0.988 272 S CB -0.277 62.751 63.200 -0.288 0.000 0.838 272 S HN 0.521 nan 8.310 nan 0.000 0.462 273 A N 1.572 124.293 122.820 -0.165 0.000 1.908 273 A HA -0.109 4.213 4.320 0.002 0.000 0.218 273 A C 2.345 179.889 177.584 -0.067 0.000 1.181 273 A CA 2.004 53.966 52.037 -0.125 0.000 0.627 273 A CB -0.960 18.022 19.000 -0.031 0.000 0.818 273 A HN 0.449 nan 8.150 nan 0.000 0.445 274 S N -0.937 114.745 115.700 -0.030 0.000 2.368 274 S HA -0.161 4.310 4.470 0.002 0.000 0.225 274 S C 2.067 176.620 174.600 -0.078 0.000 1.030 274 S CA 1.324 59.494 58.200 -0.051 0.000 0.999 274 S CB -0.358 62.767 63.200 -0.125 0.000 0.844 274 S HN 0.673 nan 8.310 nan 0.000 0.459 275 R N 1.265 121.708 120.500 -0.095 0.000 2.094 275 R HA -0.142 4.199 4.340 0.002 0.000 0.239 275 R C 2.353 178.608 176.300 -0.074 0.000 1.137 275 R CA 2.096 58.147 56.100 -0.081 0.000 0.943 275 R CB -0.638 29.616 30.300 -0.077 0.000 0.850 275 R HN 0.428 nan 8.270 nan 0.000 0.433 276 V N -1.214 118.641 119.914 -0.098 0.000 2.515 276 V HA -0.113 4.008 4.120 0.002 0.000 0.250 276 V C 2.057 178.105 176.094 -0.076 0.000 1.058 276 V CA 1.687 63.930 62.300 -0.094 0.000 1.064 276 V CB -0.673 31.067 31.823 -0.138 0.000 0.675 276 V HN 0.281 nan 8.190 nan 0.000 0.461 277 R N -0.013 120.444 120.500 -0.071 0.000 2.189 277 R HA 0.166 4.508 4.340 0.002 0.000 0.223 277 R C 2.260 178.535 176.300 -0.042 0.000 1.092 277 R CA 1.345 57.414 56.100 -0.053 0.000 0.989 277 R CB -0.502 29.774 30.300 -0.040 0.000 0.876 277 R HN 0.485 nan 8.270 nan 0.000 0.457 278 L N 0.909 122.106 121.223 -0.044 0.000 2.261 278 L HA -0.176 4.165 4.340 0.002 0.000 0.216 278 L C 1.753 178.604 176.870 -0.032 0.000 1.114 278 L CA 0.956 55.774 54.840 -0.037 0.000 0.777 278 L CB -0.223 41.813 42.059 -0.039 0.000 0.910 278 L HN 0.143 nan 8.230 nan 0.000 0.440 279 E N 0.354 120.534 120.200 -0.035 0.000 2.418 279 E HA -0.146 4.205 4.350 0.002 0.000 0.197 279 E C 1.774 178.357 176.600 -0.028 0.000 1.026 279 E CA 0.705 57.087 56.400 -0.030 0.000 0.862 279 E CB 0.104 29.784 29.700 -0.032 0.000 0.799 279 E HN 0.667 nan 8.360 nan 0.000 0.518 280 R N -0.195 120.287 120.500 -0.029 0.000 2.513 280 R HA 0.290 4.631 4.340 0.002 0.000 0.245 280 R C 1.190 177.476 176.300 -0.022 0.000 0.908 280 R CA 0.050 56.135 56.100 -0.026 0.000 1.023 280 R CB 0.172 30.454 30.300 -0.030 0.000 1.338 280 R HN 0.042 nan 8.270 nan 0.000 0.575 281 I N -1.624 118.933 120.570 -0.022 0.000 3.074 281 I HA 0.553 4.724 4.170 0.002 0.000 0.310 281 I C -1.403 174.704 176.117 -0.017 0.000 1.153 281 I CA -1.377 59.913 61.300 -0.017 0.000 0.993 281 I CB 2.119 40.110 38.000 -0.015 0.000 1.237 281 I HN -0.251 nan 8.210 nan 0.000 0.443 282 D N 1.888 122.280 120.400 -0.014 0.000 2.372 282 D HA 0.304 4.946 4.640 0.002 0.000 0.243 282 D C 1.413 177.703 176.300 -0.017 0.000 1.121 282 D CA 0.701 54.692 54.000 -0.015 0.000 0.898 282 D CB 1.786 42.580 40.800 -0.011 0.000 1.202 282 D HN 0.774 nan 8.370 nan 0.000 0.428 283 G N 0.864 109.651 108.800 -0.021 0.000 2.479 283 G HA2 -0.250 3.711 3.960 0.002 0.000 0.220 283 G HA3 -0.250 3.711 3.960 0.002 0.000 0.220 283 G C 1.349 176.236 174.900 -0.023 0.000 1.115 283 G CA 1.055 46.138 45.100 -0.027 0.000 0.757 283 G HN 0.518 nan 8.290 nan 0.000 0.560 284 S N 0.065 115.756 115.700 -0.015 0.000 2.522 284 S HA 0.493 4.964 4.470 0.002 0.000 0.227 284 S C 1.371 175.971 174.600 -0.000 0.000 0.986 284 S CA 0.436 58.631 58.200 -0.009 0.000 0.929 284 S CB -0.029 63.168 63.200 -0.007 0.000 0.769 284 S HN 0.613 nan 8.310 nan 0.000 0.529 285 A N 3.464 126.284 122.820 0.000 0.000 2.548 285 A HA 0.456 4.778 4.320 0.002 0.000 0.247 285 A C -2.337 175.262 177.584 0.025 0.000 1.067 285 A CA -1.102 50.942 52.037 0.010 0.000 0.757 285 A CB -0.439 18.566 19.000 0.008 0.000 0.996 285 A HN 0.313 nan 8.150 nan 0.000 0.504 286 P HA 0.230 nan 4.420 nan 0.000 0.269 286 P C -0.102 177.254 177.300 0.094 0.000 1.209 286 P CA 0.276 63.414 63.100 0.062 0.000 0.776 286 P CB 0.813 32.546 31.700 0.056 0.000 0.876 287 T N 0.891 115.541 114.554 0.160 0.000 2.921 287 T HA 0.334 4.686 4.350 0.002 0.000 0.297 287 T C -1.546 173.368 174.700 0.357 0.000 1.013 287 T CA -0.654 61.604 62.100 0.264 0.000 0.990 287 T CB 0.685 69.776 68.868 0.372 0.000 1.023 287 T HN 0.384 nan 8.240 nan 0.000 0.447 288 E N 4.098 124.425 120.200 0.212 0.000 2.176 288 E HA 0.459 4.811 4.350 0.002 0.000 0.267 288 E C -1.475 175.050 176.600 -0.124 0.000 0.893 288 E CA -0.780 55.680 56.400 0.100 0.000 0.761 288 E CB 1.034 30.736 29.700 0.003 0.000 1.133 288 E HN 0.567 nan 8.360 nan 0.000 0.409 289 F N 4.526 124.134 119.950 -0.569 0.000 2.411 289 F HA 0.352 4.880 4.527 0.002 0.000 0.350 289 F C -0.780 174.806 175.800 -0.356 0.000 1.114 289 F CA -0.481 57.009 58.000 -0.849 0.000 1.135 289 F CB 0.616 38.598 39.000 -1.697 0.000 1.120 289 F HN 0.451 nan 8.300 nan 0.000 0.495 290 C N 7.000 126.031 119.300 -0.448 0.000 2.281 290 C HA 0.510 4.972 4.460 0.002 0.000 0.323 290 C C -0.052 174.729 174.990 -0.348 0.000 1.270 290 C CA -0.926 57.910 59.018 -0.303 0.000 1.559 290 C CB 0.440 28.059 27.740 -0.201 0.000 2.239 290 C HN 0.790 nan 8.230 nan 0.000 0.488 291 R N 2.325 122.743 120.500 -0.137 0.000 2.343 291 R HA 0.617 4.959 4.340 0.002 0.000 0.320 291 R C -0.108 176.140 176.300 -0.086 0.000 0.956 291 R CA -0.139 55.952 56.100 -0.015 0.000 0.836 291 R CB 1.147 31.582 30.300 0.226 0.000 1.151 291 R HN 0.885 nan 8.270 nan 0.000 0.450 292 A N 3.699 126.476 122.820 -0.072 0.000 2.488 292 A HA 0.379 4.700 4.320 0.002 0.000 0.249 292 A C -0.533 177.073 177.584 0.036 0.000 1.083 292 A CA -0.160 51.872 52.037 -0.008 0.000 0.768 292 A CB 0.695 19.728 19.000 0.055 0.000 1.017 292 A HN 0.466 nan 8.150 nan 0.000 0.496 293 V N 3.400 123.340 119.914 0.043 0.000 2.569 293 V HA 0.198 4.319 4.120 0.002 0.000 0.301 293 V C -0.508 175.633 176.094 0.078 0.000 1.044 293 V CA -0.849 61.488 62.300 0.062 0.000 0.874 293 V CB 1.833 33.680 31.823 0.040 0.000 1.002 293 V HN 1.005 nan 8.190 nan 0.000 0.424 294 D N 3.846 124.304 120.400 0.096 0.000 2.434 294 D HA 0.263 4.904 4.640 0.002 0.000 0.252 294 D C 0.845 177.190 176.300 0.075 0.000 1.185 294 D CA 0.541 54.598 54.000 0.095 0.000 0.886 294 D CB 1.854 42.715 40.800 0.101 0.000 1.148 294 D HN 0.687 nan 8.370 nan 0.000 0.483 295 A N 4.746 127.607 122.820 0.069 0.000 2.275 295 A HA 0.062 4.384 4.320 0.002 0.000 0.212 295 A C 2.043 179.649 177.584 0.036 0.000 1.201 295 A CA 0.064 52.129 52.037 0.047 0.000 0.843 295 A CB -0.023 19.001 19.000 0.040 0.000 0.873 295 A HN 0.634 nan 8.150 nan 0.000 0.492 296 R N 0.423 120.954 120.500 0.052 0.000 2.080 296 R HA -0.133 4.209 4.340 0.002 0.000 0.236 296 R C -0.792 175.519 176.300 0.018 0.000 1.137 296 R CA 2.101 58.222 56.100 0.036 0.000 0.943 296 R CB -1.448 28.895 30.300 0.073 0.000 0.846 296 R HN 0.364 nan 8.270 nan 0.000 0.431 297 P HA -0.147 nan 4.420 nan 0.000 0.215 297 P C 0.908 178.217 177.300 0.015 0.000 1.157 297 P CA 1.812 64.928 63.100 0.027 0.000 0.868 297 P CB -0.035 31.690 31.700 0.041 0.000 0.788 298 A N -1.409 121.421 122.820 0.017 0.000 1.972 298 A HA -0.161 4.161 4.320 0.002 0.000 0.219 298 A C 2.118 179.695 177.584 -0.010 0.000 1.169 298 A CA 1.774 53.816 52.037 0.008 0.000 0.635 298 A CB -1.310 17.698 19.000 0.013 0.000 0.810 298 A HN 0.117 nan 8.150 nan 0.000 0.446 299 M N -1.184 118.403 119.600 -0.022 0.000 2.556 299 M HA 0.251 4.733 4.480 0.002 0.000 0.245 299 M C 1.161 177.426 176.300 -0.058 0.000 1.128 299 M CA 0.607 55.877 55.300 -0.050 0.000 1.069 299 M CB -0.148 32.410 32.600 -0.071 0.000 1.469 299 M HN 0.737 nan 8.290 nan 0.000 0.494 300 G N 0.586 109.364 108.800 -0.038 0.000 2.198 300 G HA2 -0.172 3.789 3.960 0.002 0.000 0.257 300 G HA3 -0.172 3.789 3.960 0.002 0.000 0.257 300 G C -0.188 174.681 174.900 -0.051 0.000 1.042 300 G CA 0.255 45.334 45.100 -0.036 0.000 0.791 300 G HN 0.378 nan 8.290 nan 0.000 0.502 301 V N 0.337 120.216 119.914 -0.058 0.000 2.532 301 V HA 0.687 4.808 4.120 0.002 0.000 0.295 301 V C 1.237 177.323 176.094 -0.014 0.000 1.041 301 V CA 0.029 62.280 62.300 -0.082 0.000 0.926 301 V CB 1.749 33.470 31.823 -0.170 0.000 0.992 301 V HN 0.690 nan 8.190 nan 0.000 0.457 302 S N 2.861 118.564 115.700 0.006 0.000 2.558 302 S HA -0.049 4.422 4.470 0.002 0.000 0.288 302 S C 1.325 175.975 174.600 0.084 0.000 1.318 302 S CA 0.154 58.382 58.200 0.046 0.000 1.056 302 S CB -0.025 63.209 63.200 0.056 0.000 0.853 302 S HN 0.852 nan 8.310 nan 0.000 0.505 303 N N 3.731 122.469 118.700 0.065 0.000 2.348 303 N HA -0.081 4.660 4.740 0.002 0.000 0.185 303 N C 0.914 176.467 175.510 0.071 0.000 1.019 303 N CA 1.343 54.434 53.050 0.069 0.000 0.880 303 N CB -0.147 38.370 38.487 0.050 0.000 0.965 303 N HN 0.587 nan 8.380 nan 0.000 0.437 304 N N -0.715 118.026 118.700 0.069 0.000 2.398 304 N HA -0.096 4.645 4.740 0.002 0.000 0.188 304 N C -0.662 174.906 175.510 0.097 0.000 1.122 304 N CA 0.019 53.098 53.050 0.048 0.000 0.866 304 N CB -0.240 38.255 38.487 0.013 0.000 0.970 304 N HN 0.345 nan 8.380 nan 0.000 0.462 305 Y N 4.179 124.485 120.300 0.011 0.000 2.569 305 Y HA 0.109 4.661 4.550 0.003 0.000 0.332 305 Y C -1.502 174.415 175.900 0.029 0.000 1.120 305 Y CA -1.918 56.193 58.100 0.018 0.000 1.416 305 Y CB 0.945 39.405 38.460 -0.000 0.000 1.210 305 Y HN 0.037 nan 8.280 nan 0.000 0.528 306 P HA 0.127 nan 4.420 nan 0.000 0.255 306 P C 0.559 177.585 177.300 -0.457 0.000 1.248 306 P CA 0.504 63.434 63.100 -0.283 0.000 0.807 306 P CB 0.335 32.058 31.700 0.038 0.000 1.150 307 G N 0.646 108.837 108.800 -1.014 0.000 2.582 307 G HA2 0.350 4.311 3.960 0.002 0.000 0.232 307 G HA3 0.350 4.311 3.960 0.002 0.000 0.232 307 G C -0.816 173.957 174.900 -0.213 0.000 1.458 307 G CA -0.345 44.374 45.100 -0.636 0.000 1.062 307 G HN 0.173 nan 8.290 nan 0.000 0.566 308 L N 0.671 121.876 121.223 -0.030 0.000 2.295 308 L HA 0.609 4.951 4.340 0.002 0.000 0.281 308 L C -1.455 175.501 176.870 0.143 0.000 1.018 308 L CA -0.573 54.309 54.840 0.070 0.000 0.841 308 L CB 0.820 42.922 42.059 0.073 0.000 1.218 308 L HN 0.333 nan 8.230 nan 0.000 0.424 309 L N 5.564 126.881 121.223 0.155 0.000 2.489 309 L HA 0.499 4.840 4.340 0.002 0.000 0.257 309 L C -0.948 175.990 176.870 0.113 0.000 1.215 309 L CA 0.155 55.081 54.840 0.144 0.000 0.915 309 L CB 1.219 43.390 42.059 0.186 0.000 1.146 309 L HN 0.811 nan 8.230 nan 0.000 0.494 310 Q N 1.907 121.769 119.800 0.102 0.000 2.416 310 Q HA 0.591 4.933 4.340 0.002 0.000 0.281 310 Q C -1.553 174.493 176.000 0.076 0.000 1.067 310 Q CA -0.544 55.318 55.803 0.098 0.000 0.809 310 Q CB 2.151 30.969 28.738 0.133 0.000 1.418 310 Q HN 0.537 nan 8.270 nan 0.000 0.411 311 N N 1.283 120.018 118.700 0.059 0.000 3.229 311 N HA 0.619 5.360 4.740 0.002 0.000 0.315 311 N C -1.520 173.985 175.510 -0.008 0.000 1.520 311 N CA -0.358 52.717 53.050 0.042 0.000 0.769 311 N CB 1.781 40.294 38.487 0.043 0.000 1.766 311 N HN 0.671 nan 8.380 nan 0.000 0.618 312 M N 0.070 119.621 119.600 -0.082 0.000 2.662 312 M HA 0.375 4.857 4.480 0.002 0.000 0.310 312 M C -0.374 175.674 176.300 -0.420 0.000 1.204 312 M CA -0.845 54.279 55.300 -0.294 0.000 0.891 312 M CB 2.112 34.407 32.600 -0.507 0.000 1.732 312 M HN 0.635 nan 8.290 nan 0.000 0.467 313 T N -1.346 112.955 114.554 -0.422 0.000 2.895 313 T HA 0.691 5.042 4.350 0.002 0.000 0.283 313 T C -1.209 173.070 174.700 -0.701 0.000 1.014 313 T CA -0.567 61.296 62.100 -0.395 0.000 1.037 313 T CB 0.893 69.716 68.868 -0.074 0.000 1.006 313 T HN 0.457 nan 8.240 nan 0.000 0.468 314 Y N 0.220 120.280 120.300 -0.399 0.000 2.409 314 Y HA 0.559 5.110 4.550 0.002 0.000 0.343 314 Y C -0.158 175.328 175.900 -0.689 0.000 0.973 314 Y CA -0.996 56.852 58.100 -0.420 0.000 1.064 314 Y CB 2.007 40.208 38.460 -0.432 0.000 1.207 314 Y HN 0.823 nan 8.280 nan 0.000 0.452 315 H N 1.374 120.462 119.070 0.030 0.000 3.013 315 H HA 0.362 4.920 4.556 0.002 0.000 0.326 315 H C -1.115 174.336 175.328 0.206 0.000 0.973 315 H CA -0.970 55.141 56.048 0.105 0.000 1.369 315 H CB 0.883 30.682 29.762 0.062 0.000 1.598 315 H HN 0.556 nan 8.280 nan 0.000 0.518 316 N N 1.806 120.675 118.700 0.281 0.000 2.372 316 N HA 0.497 5.238 4.740 0.002 0.000 0.291 316 N C -0.588 175.080 175.510 0.263 0.000 1.024 316 N CA -0.215 52.986 53.050 0.250 0.000 0.873 316 N CB 2.607 41.169 38.487 0.125 0.000 1.206 316 N HN 0.530 nan 8.380 nan 0.000 0.486 317 S N 0.098 115.953 115.700 0.258 0.000 3.003 317 S HA 0.555 5.026 4.470 0.002 0.000 0.313 317 S C -1.235 173.411 174.600 0.077 0.000 1.230 317 S CA -0.423 57.846 58.200 0.116 0.000 0.977 317 S CB 0.751 63.950 63.200 -0.002 0.000 1.340 317 S HN 0.583 nan 8.310 nan 0.000 0.608 318 T N 0.164 114.715 114.554 -0.006 0.000 2.908 318 T HA 0.562 4.913 4.350 0.002 0.000 0.290 318 T C 1.397 176.058 174.700 -0.065 0.000 1.034 318 T CA -0.825 61.269 62.100 -0.010 0.000 1.010 318 T CB 0.777 69.636 68.868 -0.016 0.000 1.068 318 T HN 0.392 nan 8.240 nan 0.000 0.481 319 I N 1.622 122.171 120.570 -0.035 0.000 2.145 319 I HA -0.148 4.023 4.170 0.002 0.000 0.244 319 I C 2.711 178.767 176.117 -0.102 0.000 1.075 319 I CA 2.369 63.632 61.300 -0.062 0.000 1.332 319 I CB -1.714 36.272 38.000 -0.024 0.000 1.033 319 I HN 0.987 nan 8.210 nan 0.000 0.410 320 G N -0.026 108.728 108.800 -0.076 0.000 2.418 320 G HA2 -0.277 3.684 3.960 0.002 0.000 0.217 320 G HA3 -0.277 3.684 3.960 0.002 0.000 0.217 320 G C 1.677 176.515 174.900 -0.102 0.000 1.158 320 G CA 1.059 46.113 45.100 -0.077 0.000 0.771 320 G HN 0.402 nan 8.290 nan 0.000 0.545 321 E N 0.536 120.669 120.200 -0.113 0.000 2.051 321 E HA -0.090 4.261 4.350 0.002 0.000 0.192 321 E C 2.701 179.178 176.600 -0.205 0.000 0.991 321 E CA 1.010 57.331 56.400 -0.131 0.000 0.799 321 E CB -0.253 29.379 29.700 -0.114 0.000 0.748 321 E HN 0.367 nan 8.360 nan 0.000 0.449 322 I N 0.838 121.222 120.570 -0.310 0.000 2.226 322 I HA -0.127 4.045 4.170 0.002 0.000 0.245 322 I C 2.816 178.737 176.117 -0.327 0.000 1.100 322 I CA 1.600 62.608 61.300 -0.486 0.000 1.374 322 I CB -1.805 35.647 38.000 -0.913 0.000 1.057 322 I HN 0.374 nan 8.210 nan 0.000 0.413 323 A N 1.037 123.718 122.820 -0.232 0.000 1.902 323 A HA -0.183 4.138 4.320 0.002 0.000 0.217 323 A C 2.044 179.561 177.584 -0.112 0.000 1.181 323 A CA 1.735 53.680 52.037 -0.153 0.000 0.623 323 A CB -0.509 18.424 19.000 -0.112 0.000 0.818 323 A HN 0.448 nan 8.150 nan 0.000 0.443 324 N N 0.130 118.766 118.700 -0.107 0.000 2.405 324 N HA 0.007 4.748 4.740 0.002 0.000 0.175 324 N C 0.708 176.177 175.510 -0.067 0.000 1.051 324 N CA 0.706 53.713 53.050 -0.072 0.000 0.899 324 N CB -0.074 38.377 38.487 -0.060 0.000 1.000 324 N HN 0.865 nan 8.380 nan 0.000 0.451 325 E N 1.140 121.284 120.200 -0.093 0.000 2.391 325 E HA 0.202 4.553 4.350 0.002 0.000 0.255 325 E C 0.069 176.632 176.600 -0.063 0.000 1.187 325 E CA -0.584 55.767 56.400 -0.080 0.000 0.941 325 E CB 0.612 30.250 29.700 -0.105 0.000 1.010 325 E HN 0.025 nan 8.360 nan 0.000 0.458 326 S N 0.987 116.660 115.700 -0.046 0.000 2.589 326 S HA -0.061 4.411 4.470 0.002 0.000 0.265 326 S C 0.973 175.554 174.600 -0.032 0.000 1.342 326 S CA -0.645 57.538 58.200 -0.027 0.000 1.005 326 S CB 0.851 64.039 63.200 -0.020 0.000 0.909 326 S HN 0.634 nan 8.310 nan 0.000 0.555 327 L N 2.411 123.629 121.223 -0.009 0.000 2.046 327 L HA 0.139 4.480 4.340 0.002 0.000 0.208 327 L C 2.427 179.281 176.870 -0.027 0.000 1.077 327 L CA 2.428 57.265 54.840 -0.004 0.000 0.747 327 L CB -1.550 40.516 42.059 0.012 0.000 0.896 327 L HN 0.993 nan 8.230 nan 0.000 0.432 328 G N -1.263 107.520 108.800 -0.028 0.000 2.422 328 G HA2 -0.250 3.711 3.960 0.002 0.000 0.218 328 G HA3 -0.250 3.711 3.960 0.002 0.000 0.218 328 G C 1.619 176.495 174.900 -0.041 0.000 1.146 328 G CA 0.795 45.875 45.100 -0.033 0.000 0.769 328 G HN 0.623 nan 8.290 nan 0.000 0.547 329 A N 0.394 123.188 122.820 -0.044 0.000 1.908 329 A HA -0.039 4.283 4.320 0.002 0.000 0.218 329 A C 2.544 180.089 177.584 -0.065 0.000 1.181 329 A CA 2.516 54.522 52.037 -0.052 0.000 0.627 329 A CB -0.904 18.061 19.000 -0.058 0.000 0.818 329 A HN 0.307 nan 8.150 nan 0.000 0.445 330 T N 0.125 114.629 114.554 -0.082 0.000 2.812 330 T HA 0.084 4.436 4.350 0.002 0.000 0.264 330 T C 2.225 176.885 174.700 -0.066 0.000 1.042 330 T CA 1.352 63.394 62.100 -0.096 0.000 1.140 330 T CB -0.412 68.383 68.868 -0.122 0.000 0.870 330 T HN 0.578 nan 8.240 nan 0.000 0.445 331 A N 1.482 124.262 122.820 -0.067 0.000 1.933 331 A HA -0.068 4.253 4.320 0.002 0.000 0.218 331 A C 2.591 180.122 177.584 -0.088 0.000 1.175 331 A CA 1.746 53.732 52.037 -0.084 0.000 0.628 331 A CB -0.850 18.111 19.000 -0.064 0.000 0.814 331 A HN 0.420 nan 8.150 nan 0.000 0.444 332 S N -0.332 115.328 115.700 -0.067 0.000 2.383 332 S HA -0.190 4.282 4.470 0.002 0.000 0.229 332 S C 2.036 176.614 174.600 -0.037 0.000 1.030 332 S CA 1.497 59.661 58.200 -0.060 0.000 1.002 332 S CB -0.323 62.850 63.200 -0.046 0.000 0.829 332 S HN 0.636 nan 8.310 nan 0.000 0.467 333 R N 0.779 121.269 120.500 -0.016 0.000 2.096 333 R HA -0.072 4.270 4.340 0.002 0.000 0.240 333 R C 2.243 178.553 176.300 0.018 0.000 1.139 333 R CA 1.372 57.509 56.100 0.062 0.000 0.952 333 R CB -0.623 29.758 30.300 0.134 0.000 0.854 333 R HN 0.373 nan 8.270 nan 0.000 0.436 334 L N -0.143 120.949 121.223 -0.219 0.000 2.005 334 L HA -0.120 4.221 4.340 0.002 0.000 0.207 334 L C 2.649 179.475 176.870 -0.074 0.000 1.072 334 L CA 1.135 55.744 54.840 -0.385 0.000 0.744 334 L CB -0.423 41.356 42.059 -0.467 0.000 0.895 334 L HN 0.074 nan 8.230 nan 0.000 0.433 335 R N 1.075 121.525 120.500 -0.082 0.000 2.120 335 R HA -0.146 4.195 4.340 0.002 0.000 0.234 335 R C 2.426 178.698 176.300 -0.047 0.000 1.123 335 R CA 1.712 57.766 56.100 -0.077 0.000 0.975 335 R CB -0.742 29.469 30.300 -0.150 0.000 0.866 335 R HN 0.486 nan 8.270 nan 0.000 0.446 336 S N -0.412 115.282 115.700 -0.009 0.000 2.469 336 S HA -0.057 4.414 4.470 0.002 0.000 0.238 336 S C 1.168 175.792 174.600 0.039 0.000 0.998 336 S CA 0.946 59.151 58.200 0.008 0.000 0.957 336 S CB -0.111 63.108 63.200 0.031 0.000 0.764 336 S HN 0.304 nan 8.310 nan 0.000 0.514 337 E N 0.532 120.784 120.200 0.087 0.000 2.474 337 E HA 0.298 4.650 4.350 0.002 0.000 0.195 337 E C 0.935 177.565 176.600 0.050 0.000 1.039 337 E CA 0.041 56.485 56.400 0.073 0.000 0.881 337 E CB 0.198 29.953 29.700 0.091 0.000 0.970 337 E HN 0.585 nan 8.360 nan 0.000 0.486 338 L N 0.834 122.079 121.223 0.037 0.000 2.653 338 L HA 0.148 4.489 4.340 0.002 0.000 0.231 338 L C 0.463 177.349 176.870 0.027 0.000 1.153 338 L CA -0.309 54.551 54.840 0.034 0.000 0.933 338 L CB 0.042 42.121 42.059 0.034 0.000 1.175 338 L HN -0.123 nan 8.230 nan 0.000 0.473 339 D N 0.985 121.396 120.400 0.018 0.000 2.434 339 D HA -0.001 4.640 4.640 0.002 0.000 0.252 339 D C -1.419 174.896 176.300 0.025 0.000 1.185 339 D CA -1.146 52.865 54.000 0.019 0.000 0.886 339 D CB 1.260 42.068 40.800 0.013 0.000 1.148 339 D HN -0.097 nan 8.370 nan 0.000 0.483 340 P HA -0.199 nan 4.420 nan 0.000 0.216 340 P C 0.923 178.233 177.300 0.018 0.000 1.153 340 P CA 1.677 64.792 63.100 0.026 0.000 0.858 340 P CB 0.059 31.775 31.700 0.028 0.000 0.789 341 A N -0.863 121.967 122.820 0.017 0.000 1.933 341 A HA -0.170 4.151 4.320 0.002 0.000 0.218 341 A C 2.355 179.948 177.584 0.013 0.000 1.175 341 A CA 2.148 54.193 52.037 0.012 0.000 0.628 341 A CB -1.473 17.535 19.000 0.013 0.000 0.814 341 A HN 0.135 nan 8.150 nan 0.000 0.444 342 S N -0.634 115.076 115.700 0.018 0.000 2.355 342 S HA -0.102 4.369 4.470 0.002 0.000 0.222 342 S C 2.052 176.665 174.600 0.022 0.000 1.031 342 S CA 1.467 59.679 58.200 0.021 0.000 0.993 342 S CB -0.298 62.916 63.200 0.024 0.000 0.859 342 S HN 0.463 nan 8.310 nan 0.000 0.453 343 M N 1.151 120.764 119.600 0.022 0.000 2.108 343 M HA -0.060 4.422 4.480 0.002 0.000 0.261 343 M C 2.230 178.539 176.300 0.015 0.000 1.066 343 M CA 1.350 56.663 55.300 0.022 0.000 1.107 343 M CB -1.008 31.608 32.600 0.025 0.000 1.356 343 M HN 0.271 nan 8.290 nan 0.000 0.406 344 R N -0.032 120.472 120.500 0.007 0.000 2.070 344 R HA -0.235 4.106 4.340 0.002 0.000 0.233 344 R C 2.247 178.540 176.300 -0.012 0.000 1.137 344 R CA 2.074 58.170 56.100 -0.006 0.000 0.945 344 R CB -0.264 30.030 30.300 -0.010 0.000 0.845 344 R HN 0.242 nan 8.270 nan 0.000 0.430 345 Q N 0.555 120.352 119.800 -0.005 0.000 2.084 345 Q HA -0.148 4.194 4.340 0.002 0.000 0.202 345 Q C 2.003 177.994 176.000 -0.016 0.000 0.978 345 Q CA 1.945 57.741 55.803 -0.012 0.000 0.844 345 Q CB -0.047 28.694 28.738 0.005 0.000 0.898 345 Q HN 0.334 nan 8.270 nan 0.000 0.426 346 R N -0.990 119.515 120.500 0.008 0.000 2.073 346 R HA -0.066 4.276 4.340 0.002 0.000 0.234 346 R C 2.352 178.661 176.300 0.016 0.000 1.134 346 R CA 1.776 57.891 56.100 0.024 0.000 0.952 346 R CB -0.500 29.831 30.300 0.052 0.000 0.850 346 R HN 0.292 nan 8.270 nan 0.000 0.433 347 T N 0.641 115.204 114.554 0.014 0.000 2.777 347 T HA -0.088 4.263 4.350 0.002 0.000 0.266 347 T C 1.767 176.466 174.700 -0.001 0.000 1.040 347 T CA 1.110 63.220 62.100 0.017 0.000 1.141 347 T CB -0.103 68.773 68.868 0.014 0.000 0.868 347 T HN 0.267 nan 8.240 nan 0.000 0.444 348 R N 0.499 120.979 120.500 -0.032 0.000 2.096 348 R HA -0.020 4.322 4.340 0.002 0.000 0.235 348 R C 2.865 179.103 176.300 -0.103 0.000 1.127 348 R CA 1.248 57.316 56.100 -0.053 0.000 0.968 348 R CB -0.657 29.600 30.300 -0.073 0.000 0.861 348 R HN 0.434 nan 8.270 nan 0.000 0.440 349 G N 1.413 110.110 108.800 -0.173 0.000 2.421 349 G HA2 -0.261 3.701 3.960 0.002 0.000 0.216 349 G HA3 -0.261 3.701 3.960 0.002 0.000 0.216 349 G C 1.326 176.167 174.900 -0.098 0.000 1.171 349 G CA 0.407 45.298 45.100 -0.349 0.000 0.775 349 G HN 0.175 nan 8.290 nan 0.000 0.543 350 L N 1.530 122.765 121.223 0.020 0.000 2.012 350 L HA 0.081 4.422 4.340 0.002 0.000 0.210 350 L C 3.070 180.027 176.870 0.145 0.000 1.073 350 L CA 2.342 57.242 54.840 0.100 0.000 0.748 350 L CB -0.855 41.255 42.059 0.086 0.000 0.891 350 L HN 0.245 nan 8.230 nan 0.000 0.431 351 A N -1.668 121.225 122.820 0.122 0.000 1.908 351 A HA -0.217 4.105 4.320 0.002 0.000 0.218 351 A C 2.262 179.984 177.584 0.230 0.000 1.181 351 A CA 2.387 54.542 52.037 0.196 0.000 0.627 351 A CB -1.245 17.874 19.000 0.197 0.000 0.818 351 A HN 0.543 nan 8.150 nan 0.000 0.445 352 T N -1.771 112.881 114.554 0.164 0.000 2.737 352 T HA -0.150 4.202 4.350 0.002 0.000 0.265 352 T C 1.794 176.555 174.700 0.101 0.000 1.038 352 T CA 1.580 63.709 62.100 0.049 0.000 1.144 352 T CB -0.438 68.398 68.868 -0.052 0.000 0.866 352 T HN 0.553 nan 8.240 nan 0.000 0.434 353 Y N 1.675 122.038 120.300 0.104 0.000 2.128 353 Y HA -0.123 4.429 4.550 0.002 0.000 0.284 353 Y C 2.042 177.974 175.900 0.053 0.000 1.154 353 Y CA 1.183 59.370 58.100 0.145 0.000 1.149 353 Y CB -0.488 38.080 38.460 0.181 0.000 0.976 353 Y HN 0.107 nan 8.280 nan 0.000 0.505 354 L N -0.940 120.386 121.223 0.172 0.000 2.012 354 L HA -0.290 4.052 4.340 0.002 0.000 0.210 354 L C 2.532 179.376 176.870 -0.044 0.000 1.073 354 L CA 1.920 56.800 54.840 0.067 0.000 0.748 354 L CB -0.852 41.281 42.059 0.123 0.000 0.891 354 L HN 0.308 nan 8.230 nan 0.000 0.431 355 H N 0.360 119.328 119.070 -0.169 0.000 2.352 355 H HA -0.159 4.399 4.556 0.002 0.000 0.299 355 H C 1.937 177.100 175.328 -0.276 0.000 1.097 355 H CA 1.892 57.758 56.048 -0.304 0.000 1.311 355 H CB 0.024 29.314 29.762 -0.787 0.000 1.377 355 H HN 0.233 nan 8.280 nan 0.000 0.504 356 N N 0.330 118.828 118.700 -0.337 0.000 2.515 356 N HA -0.058 4.683 4.740 0.002 0.000 0.185 356 N C -0.463 174.843 175.510 -0.340 0.000 1.109 356 N CA 0.413 53.254 53.050 -0.348 0.000 0.903 356 N CB 0.066 38.422 38.487 -0.218 0.000 0.969 356 N HN 0.378 nan 8.380 nan 0.000 0.450 357 N N 0.563 119.056 118.700 -0.346 0.000 2.518 357 N HA 0.198 4.939 4.740 0.002 0.000 0.254 357 N C -2.004 173.391 175.510 -0.191 0.000 0.979 357 N CA -1.191 51.678 53.050 -0.302 0.000 0.930 357 N CB 2.538 40.765 38.487 -0.432 0.000 1.152 357 N HN -0.087 nan 8.380 nan 0.000 0.505 358 P HA -0.094 nan 4.420 nan 0.000 0.218 358 P C 0.061 177.321 177.300 -0.067 0.000 1.149 358 P CA 1.232 64.272 63.100 -0.100 0.000 0.817 358 P CB 0.329 31.979 31.700 -0.084 0.000 0.785 359 D N -0.207 120.153 120.400 -0.067 0.000 2.428 359 D HA 0.082 4.723 4.640 0.002 0.000 0.221 359 D C 0.410 176.697 176.300 -0.022 0.000 1.123 359 D CA -0.176 53.803 54.000 -0.035 0.000 0.869 359 D CB 0.276 41.060 40.800 -0.026 0.000 1.032 359 D HN -0.040 nan 8.370 nan 0.000 0.506 360 K N 0.981 121.377 120.400 -0.005 0.000 2.417 360 K HA 0.008 4.329 4.320 0.002 0.000 0.196 360 K C 1.718 178.345 176.600 0.045 0.000 1.023 360 K CA 0.039 56.342 56.287 0.026 0.000 1.122 360 K CB 0.369 32.881 32.500 0.020 0.000 0.850 360 K HN 0.298 nan 8.250 nan 0.000 0.521 361 S N 0.649 116.368 115.700 0.032 0.000 2.474 361 S HA -0.084 4.387 4.470 0.002 0.000 0.235 361 S C 1.388 176.011 174.600 0.039 0.000 0.997 361 S CA 0.842 59.060 58.200 0.030 0.000 0.949 361 S CB -0.121 63.091 63.200 0.021 0.000 0.766 361 S HN 0.239 nan 8.310 nan 0.000 0.517 362 N N 1.092 119.826 118.700 0.057 0.000 2.412 362 N HA 0.172 4.913 4.740 0.002 0.000 0.184 362 N C -0.299 175.244 175.510 0.056 0.000 1.101 362 N CA 0.178 53.261 53.050 0.056 0.000 0.881 362 N CB 0.304 38.834 38.487 0.071 0.000 0.969 362 N HN 0.312 nan 8.380 nan 0.000 0.459 363 V N 0.642 120.603 119.914 0.078 0.000 2.432 363 V HA 0.405 4.527 4.120 0.002 0.000 0.275 363 V C 0.303 176.422 176.094 0.041 0.000 1.043 363 V CA -0.437 61.904 62.300 0.068 0.000 0.925 363 V CB 1.334 33.235 31.823 0.129 0.000 0.985 363 V HN 0.013 nan 8.190 nan 0.000 0.466 364 S N 3.632 119.347 115.700 0.025 0.000 2.566 364 S HA 0.487 4.959 4.470 0.002 0.000 0.273 364 S C 0.331 174.958 174.600 0.045 0.000 1.157 364 S CA -0.693 57.523 58.200 0.028 0.000 0.938 364 S CB 1.505 64.716 63.200 0.019 0.000 1.087 364 S HN 0.569 nan 8.310 nan 0.000 0.474 365 L N 3.111 124.375 121.223 0.068 0.000 2.353 365 L HA 0.033 4.374 4.340 0.002 0.000 0.220 365 L C 1.640 178.621 176.870 0.184 0.000 1.133 365 L CA 1.461 56.385 54.840 0.140 0.000 0.798 365 L CB -0.419 41.697 42.059 0.096 0.000 0.922 365 L HN 0.880 nan 8.230 nan 0.000 0.445 366 T N -4.979 109.630 114.554 0.092 0.000 3.355 366 T HA 0.441 4.792 4.350 0.002 0.000 0.276 366 T C 1.276 175.989 174.700 0.023 0.000 1.003 366 T CA 0.176 62.320 62.100 0.074 0.000 0.943 366 T CB 0.765 69.653 68.868 0.034 0.000 1.158 366 T HN 0.110 nan 8.240 nan 0.000 0.513 367 A N 2.626 125.446 122.820 -0.000 0.000 1.986 367 A HA -0.090 4.231 4.320 0.002 0.000 0.220 367 A C 1.836 179.404 177.584 -0.026 0.000 1.171 367 A CA 1.773 53.796 52.037 -0.023 0.000 0.640 367 A CB -0.415 18.555 19.000 -0.050 0.000 0.811 367 A HN 0.737 nan 8.150 nan 0.000 0.451 368 D N -1.692 118.691 120.400 -0.029 0.000 2.571 368 D HA 0.442 5.083 4.640 0.002 0.000 0.239 368 D C 0.127 176.421 176.300 -0.010 0.000 1.267 368 D CA 0.284 54.277 54.000 -0.013 0.000 0.823 368 D CB -0.547 40.259 40.800 0.010 0.000 1.056 368 D HN 0.306 nan 8.370 nan 0.000 0.494 369 A N 0.536 123.348 122.820 -0.013 0.000 2.354 369 A HA 0.313 4.634 4.320 0.002 0.000 0.281 369 A C -0.092 177.479 177.584 -0.022 0.000 1.174 369 A CA -0.464 51.561 52.037 -0.020 0.000 0.828 369 A CB 0.377 19.360 19.000 -0.028 0.000 1.099 369 A HN 0.169 nan 8.150 nan 0.000 0.516 370 D N 4.570 124.959 120.400 -0.019 0.000 2.316 370 D HA 0.220 4.861 4.640 0.002 0.000 0.245 370 D C -1.483 174.797 176.300 -0.033 0.000 1.171 370 D CA -1.746 52.243 54.000 -0.018 0.000 0.856 370 D CB 1.435 42.232 40.800 -0.005 0.000 1.090 370 D HN 0.242 nan 8.370 nan 0.000 0.476 371 P HA -0.146 nan 4.420 nan 0.000 0.219 371 P C 1.355 178.618 177.300 -0.062 0.000 1.146 371 P CA 0.636 63.699 63.100 -0.061 0.000 0.808 371 P CB 0.362 32.028 31.700 -0.058 0.000 0.779 372 S N -0.471 115.204 115.700 -0.042 0.000 2.402 372 S HA -0.082 4.389 4.470 0.002 0.000 0.229 372 S C 1.679 176.262 174.600 -0.027 0.000 1.021 372 S CA 2.060 60.237 58.200 -0.038 0.000 0.974 372 S CB -0.803 62.381 63.200 -0.026 0.000 0.800 372 S HN 0.374 nan 8.310 nan 0.000 0.484 373 T N -2.398 112.149 114.554 -0.011 0.000 3.004 373 T HA 0.400 4.752 4.350 0.002 0.000 0.266 373 T C 0.627 175.356 174.700 0.048 0.000 0.986 373 T CA -0.288 61.827 62.100 0.025 0.000 0.902 373 T CB 0.271 69.165 68.868 0.042 0.000 1.118 373 T HN 0.127 nan 8.240 nan 0.000 0.522 374 S N 0.927 116.619 115.700 -0.014 0.000 2.655 374 S HA 0.685 5.156 4.470 0.002 0.000 0.265 374 S C -0.397 174.104 174.600 -0.165 0.000 1.240 374 S CA -0.566 57.591 58.200 -0.071 0.000 0.986 374 S CB 1.412 64.551 63.200 -0.103 0.000 0.985 374 S HN 0.266 nan 8.310 nan 0.000 0.562 375 V N 1.898 121.592 119.914 -0.367 0.000 2.577 375 V HA 0.415 4.537 4.120 0.002 0.000 0.303 375 V C -0.907 174.749 176.094 -0.730 0.000 1.042 375 V CA -0.379 61.582 62.300 -0.565 0.000 0.872 375 V CB 1.527 32.877 31.823 -0.787 0.000 0.998 375 V HN 0.787 nan 8.190 nan 0.000 0.423 376 M N 6.405 125.680 119.600 -0.541 0.000 2.023 376 M HA 0.539 5.020 4.480 0.002 0.000 0.325 376 M C -1.171 174.823 176.300 -0.511 0.000 0.963 376 M CA -0.418 54.596 55.300 -0.477 0.000 0.928 376 M CB 1.589 34.025 32.600 -0.274 0.000 1.429 376 M HN 0.491 nan 8.290 nan 0.000 0.404 377 L N 2.235 123.095 121.223 -0.604 0.000 2.341 377 L HA 0.746 5.087 4.340 0.002 0.000 0.278 377 L C -0.699 175.924 176.870 -0.411 0.000 1.005 377 L CA 0.114 54.629 54.840 -0.542 0.000 0.818 377 L CB 2.140 43.873 42.059 -0.544 0.000 1.259 377 L HN 0.575 nan 8.230 nan 0.000 0.418 378 S N 2.881 118.311 115.700 -0.451 0.000 2.596 378 S HA 0.528 4.999 4.470 0.002 0.000 0.318 378 S C -0.764 173.664 174.600 -0.286 0.000 1.097 378 S CA -0.470 57.595 58.200 -0.225 0.000 1.080 378 S CB 0.949 64.162 63.200 0.022 0.000 0.991 378 S HN 0.800 nan 8.310 nan 0.000 0.471 379 S N 5.011 120.630 115.700 -0.136 0.000 2.452 379 S HA 0.398 4.870 4.470 0.002 0.000 0.284 379 S C -0.098 174.701 174.600 0.332 0.000 1.171 379 S CA -0.523 57.683 58.200 0.010 0.000 1.064 379 S CB 0.001 63.281 63.200 0.132 0.000 0.967 379 S HN 0.846 nan 8.310 nan 0.000 0.484 380 W N 3.740 125.161 121.300 0.202 0.000 3.223 380 W HA 0.370 5.032 4.660 0.002 0.000 0.389 380 W C 1.716 178.291 176.519 0.094 0.000 1.118 380 W CA -0.727 56.697 57.345 0.131 0.000 1.902 380 W CB -1.509 28.010 29.460 0.098 0.000 1.094 380 W HN 0.894 nan 8.180 nan 0.000 0.666 381 A N 1.317 124.317 122.820 0.300 0.000 1.948 381 A HA -0.196 4.125 4.320 0.002 0.000 0.220 381 A C 2.168 179.787 177.584 0.058 0.000 1.177 381 A CA 2.814 54.890 52.037 0.066 0.000 0.636 381 A CB -0.583 18.440 19.000 0.039 0.000 0.815 381 A HN 0.174 nan 8.150 nan 0.000 0.449 382 K N -0.175 120.305 120.400 0.133 0.000 2.404 382 K HA 0.504 4.825 4.320 0.002 0.000 0.194 382 K C 0.721 177.373 176.600 0.087 0.000 1.023 382 K CA 0.594 56.941 56.287 0.100 0.000 1.094 382 K CB -1.516 31.054 32.500 0.117 0.000 0.841 382 K HN 1.007 nan 8.250 nan 0.000 0.523 383 V N -2.970 117.003 119.914 0.099 0.000 3.133 383 V HA 0.683 4.805 4.120 0.002 0.000 0.305 383 V C 1.189 177.303 176.094 0.034 0.000 1.084 383 V CA 0.035 62.372 62.300 0.061 0.000 1.089 383 V CB 1.313 33.148 31.823 0.021 0.000 1.073 383 V HN 0.161 nan 8.190 nan 0.000 0.477 384 G N 0.957 109.762 108.800 0.009 0.000 3.284 384 G HA2 0.178 4.139 3.960 0.002 0.000 0.236 384 G HA3 0.178 4.139 3.960 0.002 0.000 0.236 384 G C 0.862 175.432 174.900 -0.550 0.000 1.158 384 G CA -0.095 44.946 45.100 -0.098 0.000 0.774 384 G HN 0.730 nan 8.290 nan 0.000 0.545 385 L N -1.280 119.678 121.223 -0.442 0.000 2.127 385 L HA -0.069 4.273 4.340 0.002 0.000 0.211 385 L C 2.320 178.819 176.870 -0.619 0.000 1.089 385 L CA 0.858 55.308 54.840 -0.650 0.000 0.757 385 L CB -0.238 41.649 42.059 -0.287 0.000 0.899 385 L HN 0.366 nan 8.230 nan 0.000 0.434 386 W N 0.201 121.249 121.300 -0.420 0.000 2.538 386 W HA -0.147 4.514 4.660 0.002 0.000 0.254 386 W C 1.909 178.258 176.519 -0.284 0.000 1.249 386 W CA 0.671 57.838 57.345 -0.296 0.000 1.253 386 W CB -0.147 29.183 29.460 -0.216 0.000 1.130 386 W HN 0.185 nan 8.180 nan 0.000 0.618 387 D N -1.751 118.495 120.400 -0.257 0.000 2.350 387 D HA -0.031 4.611 4.640 0.002 0.000 0.213 387 D C -0.371 175.924 176.300 -0.008 0.000 1.031 387 D CA 0.482 54.407 54.000 -0.125 0.000 0.861 387 D CB 0.138 40.886 40.800 -0.086 0.000 0.926 387 D HN 0.041 nan 8.370 nan 0.000 0.520 388 Y N 1.417 121.699 120.300 -0.031 0.000 2.320 388 Y HA 0.214 4.766 4.550 0.002 0.000 0.334 388 Y C 1.009 176.885 175.900 -0.040 0.000 1.055 388 Y CA -1.700 56.273 58.100 -0.212 0.000 1.143 388 Y CB 0.826 38.969 38.460 -0.527 0.000 1.193 388 Y HN -0.135 nan 8.280 nan 0.000 0.477 389 D N -0.661 119.773 120.400 0.056 0.000 2.449 389 D HA 0.079 4.720 4.640 0.002 0.000 0.210 389 D C 0.026 176.449 176.300 0.204 0.000 1.094 389 D CA -0.199 53.917 54.000 0.194 0.000 0.846 389 D CB -0.199 40.678 40.800 0.129 0.000 1.003 389 D HN 0.338 nan 8.370 nan 0.000 0.504 390 F N 0.587 120.596 119.950 0.099 0.000 3.069 390 F HA -0.160 4.369 4.527 0.003 0.000 0.285 390 F C 1.661 177.480 175.800 0.032 0.000 0.827 390 F CA 0.665 58.707 58.000 0.071 0.000 1.108 390 F CB -1.867 37.227 39.000 0.157 0.000 1.252 390 F HN 0.317 nan 8.300 nan 0.000 0.483 391 G N -0.035 108.829 108.800 0.107 0.000 2.203 391 G HA2 -0.343 3.619 3.960 0.002 0.000 0.263 391 G HA3 -0.343 3.619 3.960 0.002 0.000 0.263 391 G C 0.815 175.750 174.900 0.059 0.000 1.012 391 G CA 0.462 45.601 45.100 0.065 0.000 0.749 391 G HN 0.585 nan 8.290 nan 0.000 0.512 392 L N -0.334 120.920 121.223 0.052 0.000 2.492 392 L HA 0.325 4.666 4.340 0.002 0.000 0.223 392 L C 2.306 179.152 176.870 -0.039 0.000 1.132 392 L CA 0.682 55.515 54.840 -0.012 0.000 0.850 392 L CB -0.206 41.789 42.059 -0.107 0.000 0.966 392 L HN 0.911 nan 8.230 nan 0.000 0.454 393 G N 0.591 109.383 108.800 -0.014 0.000 2.160 393 G HA2 -0.284 3.677 3.960 0.002 0.000 0.251 393 G HA3 -0.284 3.677 3.960 0.002 0.000 0.251 393 G C 0.645 175.538 174.900 -0.011 0.000 1.008 393 G CA 0.396 45.490 45.100 -0.010 0.000 0.724 393 G HN 0.370 nan 8.290 nan 0.000 0.514 394 L N -0.284 120.933 121.223 -0.010 0.000 2.616 394 L HA 0.489 4.831 4.340 0.002 0.000 0.229 394 L C 1.722 178.674 176.870 0.136 0.000 1.110 394 L CA 0.407 55.267 54.840 0.032 0.000 0.884 394 L CB -0.150 41.897 42.059 -0.020 0.000 1.115 394 L HN 1.081 nan 8.230 nan 0.000 0.481 395 G N 0.757 109.638 108.800 0.135 0.000 2.660 395 G HA2 -0.176 3.786 3.960 0.002 0.000 0.215 395 G HA3 -0.176 3.786 3.960 0.002 0.000 0.215 395 G C -0.586 174.483 174.900 0.282 0.000 1.345 395 G CA -0.825 44.375 45.100 0.167 0.000 0.877 395 G HN -0.032 nan 8.290 nan 0.000 0.549 396 K N 0.709 121.246 120.400 0.227 0.000 2.107 396 K HA 0.515 4.837 4.320 0.002 0.000 0.251 396 K C -2.238 174.424 176.600 0.103 0.000 1.012 396 K CA -1.653 54.772 56.287 0.230 0.000 0.920 396 K CB 0.116 32.711 32.500 0.159 0.000 1.033 396 K HN 0.301 nan 8.250 nan 0.000 0.478 397 P HA -0.033 nan 4.420 nan 0.000 0.264 397 P C 0.506 177.627 177.300 -0.299 0.000 1.183 397 P CA 0.379 63.070 63.100 -0.681 0.000 0.763 397 P CB 0.475 31.697 31.700 -0.797 0.000 0.807 398 E N 1.311 121.327 120.200 -0.306 0.000 2.158 398 E HA -0.061 4.290 4.350 0.002 0.000 0.191 398 E C 0.211 176.653 176.600 -0.263 0.000 0.982 398 E CA 0.840 57.165 56.400 -0.126 0.000 0.823 398 E CB 0.348 30.008 29.700 -0.067 0.000 0.766 398 E HN 0.412 nan 8.360 nan 0.000 0.468 399 T N -1.070 113.126 114.554 -0.598 0.000 2.821 399 T HA 0.454 4.806 4.350 0.002 0.000 0.306 399 T C -1.961 172.159 174.700 -0.967 0.000 1.313 399 T CA -0.759 60.867 62.100 -0.789 0.000 1.012 399 T CB 1.863 70.254 68.868 -0.795 0.000 1.298 399 T HN -0.163 nan 8.240 nan 0.000 0.502 400 V N 4.640 123.953 119.914 -1.002 0.000 2.419 400 V HA 0.687 4.808 4.120 0.002 0.000 0.287 400 V C -0.713 175.076 176.094 -0.509 0.000 1.017 400 V CA -0.855 60.965 62.300 -0.800 0.000 0.844 400 V CB 1.439 32.627 31.823 -1.058 0.000 1.011 400 V HN 0.703 nan 8.190 nan 0.000 0.429 401 R N 2.899 123.079 120.500 -0.533 0.000 2.686 401 R HA 0.541 4.882 4.340 0.002 0.000 0.283 401 R C -0.507 175.580 176.300 -0.354 0.000 0.978 401 R CA -0.907 54.877 56.100 -0.527 0.000 0.897 401 R CB 2.509 32.266 30.300 -0.904 0.000 1.192 401 R HN 0.608 nan 8.270 nan 0.000 0.457 402 R N 2.708 123.174 120.500 -0.056 0.000 2.389 402 R HA 0.252 4.593 4.340 0.002 0.000 0.295 402 R C -2.152 174.123 176.300 -0.042 0.000 1.075 402 R CA -1.504 54.596 56.100 -0.001 0.000 1.005 402 R CB 0.570 30.866 30.300 -0.008 0.000 0.987 402 R HN 0.227 nan 8.270 nan 0.000 0.452 403 P HA -0.058 nan 4.420 nan 0.000 0.267 403 P C -0.095 177.201 177.300 -0.006 0.000 1.200 403 P CA 0.204 63.334 63.100 0.049 0.000 0.772 403 P CB 0.475 32.214 31.700 0.066 0.000 0.855 404 I N 4.092 124.648 120.570 -0.023 0.000 2.634 404 I HA 0.229 4.401 4.170 0.002 0.000 0.284 404 I C 0.045 176.222 176.117 0.101 0.000 1.124 404 I CA 0.253 61.473 61.300 -0.134 0.000 1.417 404 I CB -0.073 37.872 38.000 -0.092 0.000 1.396 404 I HN 0.352 nan 8.210 nan 0.000 0.571 405 F N 3.545 123.388 119.950 -0.178 0.000 3.084 405 F HA 0.608 5.137 4.527 0.003 0.000 0.336 405 F C -0.541 175.409 175.800 0.250 0.000 1.230 405 F CA -1.297 56.729 58.000 0.043 0.000 0.993 405 F CB 0.119 39.150 39.000 0.052 0.000 1.496 405 F HN 0.200 nan 8.300 nan 0.000 0.522 406 E N 2.087 122.446 120.200 0.265 0.000 2.442 406 E HA 0.206 4.558 4.350 0.002 0.000 0.262 406 E C -2.495 174.138 176.600 0.056 0.000 1.004 406 E CA -1.117 55.379 56.400 0.159 0.000 0.928 406 E CB -0.128 29.696 29.700 0.207 0.000 0.937 406 E HN 0.219 nan 8.360 nan 0.000 0.446 407 P HA -0.012 nan 4.420 nan 0.000 0.265 407 P C -1.017 176.139 177.300 -0.240 0.000 1.193 407 P CA 0.134 63.045 63.100 -0.314 0.000 0.765 407 P CB 0.577 32.124 31.700 -0.254 0.000 0.823 408 V N 3.223 122.902 119.914 -0.391 0.000 2.398 408 V HA 0.163 4.284 4.120 0.002 0.000 0.282 408 V C 0.306 176.223 176.094 -0.295 0.000 1.014 408 V CA -0.717 61.474 62.300 -0.182 0.000 0.838 408 V CB 0.993 32.843 31.823 0.045 0.000 1.018 408 V HN 0.530 nan 8.190 nan 0.000 0.432 409 E N 2.788 122.853 120.200 -0.225 0.000 2.558 409 E HA 0.093 4.444 4.350 0.002 0.000 0.255 409 E C 0.742 177.214 176.600 -0.212 0.000 0.968 409 E CA 1.031 57.293 56.400 -0.229 0.000 0.939 409 E CB 0.331 29.940 29.700 -0.152 0.000 0.921 409 E HN 0.864 nan 8.360 nan 0.000 0.477 410 S N 0.911 116.463 115.700 -0.247 0.000 2.857 410 S HA -0.228 4.243 4.470 0.002 0.000 0.268 410 S C -0.008 174.442 174.600 -0.251 0.000 1.297 410 S CA 0.661 58.728 58.200 -0.222 0.000 1.280 410 S CB -1.125 61.968 63.200 -0.178 0.000 1.562 410 S HN 0.586 nan 8.310 nan 0.000 0.661 411 L N 2.503 123.569 121.223 -0.260 0.000 2.380 411 L HA 0.647 4.988 4.340 0.002 0.000 0.273 411 L C -0.009 176.745 176.870 -0.193 0.000 1.138 411 L CA 1.042 55.756 54.840 -0.210 0.000 0.832 411 L CB 0.331 42.377 42.059 -0.022 0.000 1.124 411 L HN 0.323 nan 8.230 nan 0.000 0.454 412 M N 4.826 124.252 119.600 -0.291 0.000 2.520 412 M HA 0.415 4.896 4.480 0.002 0.000 0.283 412 M C -1.703 174.286 176.300 -0.518 0.000 1.237 412 M CA -0.457 54.753 55.300 -0.149 0.000 0.885 412 M CB 2.338 34.887 32.600 -0.085 0.000 1.727 412 M HN 0.359 nan 8.290 nan 0.000 0.468 413 Y N 0.485 120.826 120.300 0.067 0.000 2.512 413 Y HA 0.675 5.226 4.550 0.002 0.000 0.348 413 Y C -0.933 175.017 175.900 0.083 0.000 0.990 413 Y CA -0.779 57.191 58.100 -0.217 0.000 1.033 413 Y CB 1.768 39.916 38.460 -0.520 0.000 1.259 413 Y HN 0.384 nan 8.280 nan 0.000 0.461 414 F N 2.794 122.760 119.950 0.026 0.000 2.420 414 F HA 0.420 4.949 4.527 0.002 0.000 0.342 414 F C 0.105 175.912 175.800 0.012 0.000 1.113 414 F CA -1.966 56.089 58.000 0.093 0.000 1.059 414 F CB 0.860 39.962 39.000 0.171 0.000 1.128 414 F HN 0.280 nan 8.300 nan 0.000 0.475 415 M N 3.574 123.294 119.600 0.201 0.000 2.198 415 M HA 0.225 4.707 4.480 0.002 0.000 0.315 415 M C -2.176 174.218 176.300 0.156 0.000 1.134 415 M CA -2.503 52.888 55.300 0.151 0.000 1.171 415 M CB -0.364 32.234 32.600 -0.003 0.000 1.413 415 M HN 0.179 nan 8.290 nan 0.000 0.467 416 P HA -0.001 nan 4.420 nan 0.000 0.262 416 P C -0.395 177.007 177.300 0.169 0.000 1.182 416 P CA 0.188 63.410 63.100 0.203 0.000 0.761 416 P CB 0.224 32.057 31.700 0.221 0.000 0.795 417 K N 3.860 124.170 120.400 -0.148 0.000 2.484 417 K HA -0.036 4.286 4.320 0.002 0.000 0.280 417 K C 0.355 176.646 176.600 -0.514 0.000 1.013 417 K CA -0.020 56.015 56.287 -0.419 0.000 1.029 417 K CB 0.262 32.482 32.500 -0.468 0.000 0.902 417 K HN 0.311 nan 8.250 nan 0.000 0.481 418 K N 5.155 125.167 120.400 -0.647 0.000 2.436 418 K HA 0.004 4.326 4.320 0.002 0.000 0.275 418 K C -1.919 174.171 176.600 -0.850 0.000 0.999 418 K CA -1.245 54.276 56.287 -1.277 0.000 0.980 418 K CB 0.750 32.758 32.500 -0.820 0.000 0.919 418 K HN 0.339 nan 8.250 nan 0.000 0.484 419 P HA -0.216 nan 4.420 nan 0.000 0.217 419 P C 0.215 177.346 177.300 -0.281 0.000 1.148 419 P CA 1.432 64.266 63.100 -0.442 0.000 0.834 419 P CB 0.053 31.547 31.700 -0.343 0.000 0.783 420 D N -1.797 118.435 120.400 -0.279 0.000 2.371 420 D HA -0.013 4.629 4.640 0.002 0.000 0.221 420 D C 1.464 177.698 176.300 -0.110 0.000 0.986 420 D CA 1.168 55.072 54.000 -0.161 0.000 0.899 420 D CB -0.923 39.797 40.800 -0.134 0.000 0.902 420 D HN 0.284 nan 8.370 nan 0.000 0.530 421 G N 0.184 108.909 108.800 -0.125 0.000 2.184 421 G HA2 -0.276 3.686 3.960 0.002 0.000 0.206 421 G HA3 -0.276 3.686 3.960 0.002 0.000 0.206 421 G C -0.036 174.918 174.900 0.090 0.000 0.995 421 G CA 0.050 45.145 45.100 -0.007 0.000 0.651 421 G HN 0.572 nan 8.290 nan 0.000 0.511 422 E N 0.318 120.516 120.200 -0.003 0.000 2.415 422 E HA 0.426 4.777 4.350 0.002 0.000 0.263 422 E C -0.547 176.131 176.600 0.130 0.000 0.995 422 E CA -0.428 56.017 56.400 0.075 0.000 0.915 422 E CB 0.103 29.803 29.700 0.000 0.000 0.951 422 E HN 0.101 nan 8.360 nan 0.000 0.449 423 F N 3.328 123.273 119.950 -0.008 0.000 2.425 423 F HA 0.348 4.876 4.527 0.002 0.000 0.331 423 F C 0.115 175.971 175.800 0.094 0.000 1.085 423 F CA -0.806 57.187 58.000 -0.012 0.000 1.028 423 F CB 1.571 40.479 39.000 -0.155 0.000 1.177 423 F HN 0.414 nan 8.300 nan 0.000 0.487 424 C N 3.500 122.908 119.300 0.180 0.000 2.381 424 C HA 0.873 5.334 4.460 0.002 0.000 0.328 424 C C -0.521 174.626 174.990 0.261 0.000 1.190 424 C CA -0.496 58.622 59.018 0.166 0.000 1.369 424 C CB -0.784 26.898 27.740 -0.095 0.000 2.029 424 C HN 0.905 nan 8.230 nan 0.000 0.448 425 A N 4.705 127.825 122.820 0.500 0.000 2.276 425 A HA 0.807 5.128 4.320 0.002 0.000 0.316 425 A C 0.095 178.136 177.584 0.761 0.000 1.229 425 A CA -0.101 52.344 52.037 0.680 0.000 0.851 425 A CB 0.777 20.258 19.000 0.802 0.000 1.165 425 A HN 1.726 nan 8.150 nan 0.000 0.513 426 A N 2.727 125.990 122.820 0.739 0.000 2.252 426 A HA 0.633 4.955 4.320 0.002 0.000 0.309 426 A C -0.755 177.322 177.584 0.821 0.000 1.285 426 A CA -0.225 52.331 52.037 0.865 0.000 0.900 426 A CB -0.115 19.355 19.000 0.783 0.000 1.157 426 A HN 0.703 nan 8.150 nan 0.000 0.536 427 L N 1.914 123.596 121.223 0.765 0.000 2.341 427 L HA 0.560 4.902 4.340 0.002 0.000 0.278 427 L C 0.464 177.388 176.870 0.090 0.000 1.005 427 L CA 0.143 55.242 54.840 0.432 0.000 0.818 427 L CB 2.071 44.393 42.059 0.439 0.000 1.259 427 L HN 0.595 nan 8.230 nan 0.000 0.418 428 S N 4.191 119.606 115.700 -0.476 0.000 2.456 428 S HA 0.874 5.345 4.470 0.002 0.000 0.316 428 S C -0.844 173.478 174.600 -0.462 0.000 1.089 428 S CA -0.390 57.267 58.200 -0.905 0.000 1.101 428 S CB 0.184 62.251 63.200 -1.889 0.000 0.995 428 S HN 0.487 nan 8.310 nan 0.000 0.468 429 L N 4.198 125.234 121.223 -0.312 0.000 2.424 429 L HA 0.606 4.947 4.340 0.002 0.000 0.258 429 L C 0.029 176.800 176.870 -0.165 0.000 0.995 429 L CA -1.242 53.477 54.840 -0.201 0.000 0.821 429 L CB 2.243 44.220 42.059 -0.136 0.000 1.383 429 L HN 0.691 nan 8.230 nan 0.000 0.410 430 R N -0.464 119.956 120.500 -0.134 0.000 2.679 430 R HA 0.077 4.418 4.340 0.002 0.000 0.268 430 R C -0.208 176.045 176.300 -0.078 0.000 1.044 430 R CA -0.443 55.597 56.100 -0.100 0.000 1.105 430 R CB 0.554 30.805 30.300 -0.083 0.000 0.989 430 R HN 0.502 nan 8.270 nan 0.000 0.447 431 D N 1.629 121.993 120.400 -0.060 0.000 2.149 431 D HA -0.256 4.385 4.640 0.002 0.000 0.194 431 D C 1.742 178.015 176.300 -0.045 0.000 1.001 431 D CA 2.387 56.360 54.000 -0.044 0.000 0.849 431 D CB -0.119 40.661 40.800 -0.033 0.000 0.939 431 D HN 0.834 nan 8.370 nan 0.000 0.449 432 E N 0.541 120.713 120.200 -0.048 0.000 2.150 432 E HA -0.173 4.179 4.350 0.002 0.000 0.193 432 E C 1.176 177.740 176.600 -0.060 0.000 0.985 432 E CA 1.050 57.422 56.400 -0.047 0.000 0.814 432 E CB -0.127 29.548 29.700 -0.041 0.000 0.752 432 E HN 0.115 nan 8.360 nan 0.000 0.466 433 D N 0.820 121.175 120.400 -0.074 0.000 2.097 433 D HA -0.139 4.503 4.640 0.002 0.000 0.197 433 D C 1.912 178.143 176.300 -0.114 0.000 0.984 433 D CA 1.308 55.247 54.000 -0.101 0.000 0.826 433 D CB -0.275 40.459 40.800 -0.111 0.000 0.973 433 D HN 0.166 nan 8.370 nan 0.000 0.460 434 M N 0.991 120.543 119.600 -0.080 0.000 2.080 434 M HA -0.150 4.332 4.480 0.002 0.000 0.260 434 M C 1.081 177.362 176.300 -0.032 0.000 1.068 434 M CA 1.542 56.821 55.300 -0.035 0.000 1.109 434 M CB -0.196 32.416 32.600 0.019 0.000 1.342 434 M HN -0.179 nan 8.290 nan 0.000 0.405 435 D N -0.454 119.920 120.400 -0.042 0.000 2.117 435 D HA -0.136 4.505 4.640 0.002 0.000 0.197 435 D C 2.166 178.439 176.300 -0.045 0.000 0.987 435 D CA 1.298 55.272 54.000 -0.043 0.000 0.829 435 D CB -0.331 40.446 40.800 -0.039 0.000 0.961 435 D HN 0.437 nan 8.370 nan 0.000 0.460 436 R N -0.068 120.396 120.500 -0.060 0.000 2.092 436 R HA -0.070 4.272 4.340 0.002 0.000 0.231 436 R C 2.294 178.542 176.300 -0.087 0.000 1.119 436 R CA 0.376 56.439 56.100 -0.062 0.000 0.970 436 R CB -0.381 29.878 30.300 -0.069 0.000 0.864 436 R HN 0.114 nan 8.270 nan 0.000 0.440 437 L N 1.696 122.817 121.223 -0.170 0.000 2.017 437 L HA -0.180 4.161 4.340 0.002 0.000 0.208 437 L C 1.718 178.493 176.870 -0.159 0.000 1.073 437 L CA 1.869 56.497 54.840 -0.354 0.000 0.745 437 L CB -0.205 41.466 42.059 -0.647 0.000 0.894 437 L HN -0.034 nan 8.230 nan 0.000 0.432 438 K N -0.949 119.458 120.400 0.012 0.000 2.280 438 K HA -0.033 4.289 4.320 0.002 0.000 0.202 438 K C 1.697 178.395 176.600 0.163 0.000 1.047 438 K CA 1.062 57.464 56.287 0.191 0.000 0.942 438 K CB -0.205 32.323 32.500 0.047 0.000 0.739 438 K HN 0.452 nan 8.250 nan 0.000 0.457 439 A N 0.761 123.631 122.820 0.083 0.000 2.348 439 A HA -0.015 4.307 4.320 0.002 0.000 0.224 439 A C 0.239 177.880 177.584 0.095 0.000 1.227 439 A CA -0.195 51.886 52.037 0.074 0.000 0.885 439 A CB 0.191 19.208 19.000 0.029 0.000 0.933 439 A HN 0.130 nan 8.150 nan 0.000 0.506 440 D N 0.576 121.048 120.400 0.121 0.000 2.339 440 D HA 0.100 4.741 4.640 0.002 0.000 0.256 440 D C 0.784 177.211 176.300 0.211 0.000 1.214 440 D CA -0.000 54.081 54.000 0.135 0.000 0.877 440 D CB 1.104 41.962 40.800 0.096 0.000 1.111 440 D HN -0.001 nan 8.370 nan 0.000 0.478 441 K N 3.001 123.492 120.400 0.152 0.000 2.148 441 K HA -0.096 4.226 4.320 0.002 0.000 0.204 441 K C 1.813 178.526 176.600 0.189 0.000 1.050 441 K CA 1.054 57.428 56.287 0.145 0.000 0.942 441 K CB -0.117 32.439 32.500 0.092 0.000 0.724 441 K HN 0.609 nan 8.250 nan 0.000 0.446 442 E N -0.914 119.421 120.200 0.225 0.000 2.152 442 E HA -0.118 4.233 4.350 0.002 0.000 0.192 442 E C 1.820 178.731 176.600 0.518 0.000 0.983 442 E CA 0.959 57.545 56.400 0.310 0.000 0.818 442 E CB -0.094 29.754 29.700 0.247 0.000 0.758 442 E HN 0.582 nan 8.360 nan 0.000 0.467 443 W N 1.764 123.211 121.300 0.244 0.000 2.408 443 W HA -0.148 4.513 4.660 0.002 0.000 0.311 443 W C 2.115 178.844 176.519 0.351 0.000 1.190 443 W CA 2.069 59.599 57.345 0.308 0.000 1.321 443 W CB -0.261 29.240 29.460 0.068 0.000 1.143 443 W HN 0.065 nan 8.180 nan 0.000 0.501 444 T N -0.855 113.861 114.554 0.271 0.000 3.007 444 T HA -0.188 4.163 4.350 0.002 0.000 0.270 444 T C 1.761 176.461 174.700 0.001 0.000 1.107 444 T CA 1.457 63.614 62.100 0.094 0.000 1.118 444 T CB -0.464 68.511 68.868 0.178 0.000 0.889 444 T HN 0.214 nan 8.240 nan 0.000 0.506 445 K N -0.119 120.299 120.400 0.030 0.000 2.152 445 K HA -0.159 4.162 4.320 0.002 0.000 0.206 445 K C 1.271 177.641 176.600 -0.383 0.000 1.048 445 K CA 1.539 57.726 56.287 -0.167 0.000 0.933 445 K CB -0.160 32.234 32.500 -0.176 0.000 0.721 445 K HN 0.587 nan 8.250 nan 0.000 0.447 446 Y N -1.165 119.055 120.300 -0.134 0.000 2.607 446 Y HA 0.351 4.902 4.550 0.002 0.000 0.276 446 Y C 0.497 176.128 175.900 -0.447 0.000 1.117 446 Y CA -0.169 57.794 58.100 -0.229 0.000 1.273 446 Y CB 0.626 38.891 38.460 -0.326 0.000 1.282 446 Y HN -0.027 nan 8.280 nan 0.000 0.514 447 A N 1.151 123.655 122.820 -0.526 0.000 2.274 447 A HA 0.471 4.793 4.320 0.002 0.000 0.309 447 A C -0.587 176.774 177.584 -0.372 0.000 1.226 447 A CA -0.505 50.920 52.037 -1.020 0.000 0.853 447 A CB 0.228 18.186 19.000 -1.737 0.000 1.146 447 A HN 0.295 nan 8.150 nan 0.000 0.518 448 Q N 1.712 121.366 119.800 -0.243 0.000 2.340 448 Q HA 0.220 4.562 4.340 0.002 0.000 0.259 448 Q C -1.248 174.874 176.000 0.202 0.000 0.964 448 Q CA -0.426 55.388 55.803 0.019 0.000 0.900 448 Q CB 1.691 30.407 28.738 -0.037 0.000 1.228 448 Q HN 0.739 nan 8.270 nan 0.000 0.449 449 Y N 3.077 123.497 120.300 0.201 0.000 2.526 449 Y HA -0.022 4.529 4.550 0.002 0.000 0.330 449 Y C 0.203 176.086 175.900 -0.028 0.000 1.156 449 Y CA 0.551 58.676 58.100 0.042 0.000 1.419 449 Y CB 0.496 39.028 38.460 0.121 0.000 1.250 449 Y HN 0.464 nan 8.280 nan 0.000 0.540 450 V N 4.604 124.044 119.914 -0.789 0.000 2.996 450 V HA 0.447 4.568 4.120 0.002 0.000 0.235 450 V C 0.968 176.561 176.094 -0.836 0.000 1.205 450 V CA 0.623 62.604 62.300 -0.531 0.000 1.225 450 V CB -0.349 31.414 31.823 -0.101 0.000 0.995 450 V HN 1.261 nan 8.190 nan 0.000 0.484 451 G N 0.000 108.178 108.800 -1.036 0.000 5.446 451 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 451 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 451 G CA 0.000 44.726 45.100 -0.623 0.000 0.502 451 G HN 0.000 nan 8.290 nan 0.000 0.925