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 2z3y_1_A DATA FIRST_RESID 172 DATA SEQUENCE SGVEGAAFQS RLPHDRMTSQ EAACFPDIIS GPQQTQKVFL FIRNRTLQLW DATA SEQUENCE LDNPKIQLTF EATLQQLEAP YNSDTVLVHR VHSYLERHGL INFGIYKRIK DATA SEQUENCE PLPTKKTGKV IIIGSGVSGL AAARQLQSFG MDVTLLEARD RVGGRVATFR DATA SEQUENCE KGNYVADLGA MVVTGLGGNP MAVVSKQVNM ELAKIKQKCP LYEANGQAVP DATA SEQUENCE KEKDEMVEQE FNRLLEATSY LSHQLDFNVL NNKPVSLGQA LEVVIQLQEK DATA SEQUENCE HVKDEQIEHW KKIVKTQEEL KELLNKMVNL KEKIKELHQQ YKEXXXXXXX DATA SEQUENCE XDITAEFLVK SKHRDLTALC KEYDELAETQ GKLEEKLQEL EANPPSDVYL DATA SEQUENCE SSRDRQILDW HFANLEFANA TPLSTLSLKH WDQDDDFEFT GSHLTVRNGY DATA SEQUENCE SCVPVALAEG LDIKLNTAVR QVRYTASGCE VIAVNTRSTS QTFIYKCDAV DATA SEQUENCE LCTLPLGVLK QQPPAVQFVP PLPEWKTSAV QRMGFGNLNK VVLCFDRVFW DATA SEQUENCE DPSVNLFGHV GSTTASRGEL FLFWNLYKAP ILLALVAGEA AGIMENISDD DATA SEQUENCE VIVGRCLAIL KGIFGSSAVP QPKETVVSRW RADPWARGSY SYVAAGSSGN DATA SEQUENCE DYDLMAQPIT PXXXXXXXXX PIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG 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 172 S HA 0.000 nan 4.470 nan 0.000 0.327 172 S C 0.000 174.587 174.600 -0.021 0.000 1.055 172 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 172 S CB 0.000 63.152 63.200 -0.081 0.000 0.593 173 G N 1.774 110.575 108.800 0.002 0.000 2.424 173 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.214 173 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.214 173 G C 1.446 176.341 174.900 -0.008 0.000 1.202 173 G CA 1.160 46.258 45.100 -0.003 0.000 0.793 173 G HN 1.379 nan 8.290 nan 0.000 0.534 174 V N -0.855 119.054 119.914 -0.007 0.000 2.490 174 V HA -0.063 4.057 4.120 -0.001 0.000 0.250 174 V C 2.293 178.393 176.094 0.010 0.000 1.061 174 V CA 2.498 64.772 62.300 -0.042 0.000 1.064 174 V CB -0.570 31.190 31.823 -0.105 0.000 0.670 174 V HN 0.493 nan 8.190 nan 0.000 0.461 175 E N 1.432 121.644 120.200 0.020 0.000 2.106 175 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 175 E C 2.227 178.827 176.600 -0.001 0.000 0.984 175 E CA 1.300 57.686 56.400 -0.024 0.000 0.806 175 E CB -0.567 29.015 29.700 -0.198 0.000 0.750 175 E HN 0.663 nan 8.360 nan 0.000 0.458 176 G N 0.587 109.387 108.800 0.001 0.000 2.408 176 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 176 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 176 G C 1.627 176.596 174.900 0.115 0.000 1.150 176 G CA 0.757 45.888 45.100 0.050 0.000 0.776 176 G HN 0.390 nan 8.290 nan 0.000 0.542 177 A N 1.204 124.062 122.820 0.063 0.000 1.902 177 A HA 0.259 4.578 4.320 -0.001 0.000 0.217 177 A C 2.801 180.435 177.584 0.083 0.000 1.181 177 A CA 2.224 54.296 52.037 0.059 0.000 0.623 177 A CB -0.737 18.271 19.000 0.013 0.000 0.818 177 A HN 0.726 nan 8.150 nan 0.000 0.443 178 A N -1.188 121.691 122.820 0.098 0.000 1.877 178 A HA -0.026 4.293 4.320 -0.001 0.000 0.216 178 A C 2.055 179.721 177.584 0.137 0.000 1.186 178 A CA 1.577 53.682 52.037 0.114 0.000 0.620 178 A CB -0.737 18.361 19.000 0.164 0.000 0.822 178 A HN 0.654 nan 8.150 nan 0.000 0.443 179 F N 0.628 120.607 119.950 0.049 0.000 2.095 179 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 179 F C 2.370 178.199 175.800 0.048 0.000 1.104 179 F CA 2.308 60.340 58.000 0.053 0.000 1.232 179 F CB -0.340 38.673 39.000 0.021 0.000 0.987 179 F HN 0.315 nan 8.300 nan 0.000 0.475 180 Q N 0.209 120.070 119.800 0.102 0.000 2.364 180 Q HA -0.106 4.233 4.340 -0.001 0.000 0.209 180 Q C 1.511 177.466 176.000 -0.075 0.000 0.977 180 Q CA 1.795 57.593 55.803 -0.009 0.000 0.885 180 Q CB -0.465 28.313 28.738 0.067 0.000 0.941 180 Q HN 0.328 nan 8.270 nan 0.000 0.464 181 S N -0.187 115.493 115.700 -0.032 0.000 2.557 181 S HA 0.248 4.718 4.470 -0.001 0.000 0.223 181 S C -0.397 174.181 174.600 -0.037 0.000 0.969 181 S CA -0.088 58.103 58.200 -0.015 0.000 0.927 181 S CB 0.113 63.337 63.200 0.039 0.000 0.806 181 S HN 0.458 nan 8.310 nan 0.000 0.489 182 R N 0.414 120.855 120.500 -0.098 0.000 3.531 182 R HA -0.144 4.195 4.340 -0.001 0.000 0.280 182 R C -1.102 175.227 176.300 0.048 0.000 1.130 182 R CA 0.472 56.552 56.100 -0.033 0.000 0.757 182 R CB -2.259 28.094 30.300 0.088 0.000 1.218 182 R HN 0.346 nan 8.270 nan 0.000 0.454 183 L N 0.445 121.698 121.223 0.049 0.000 2.381 183 L HA 0.600 4.939 4.340 -0.001 0.000 0.268 183 L C -2.033 174.917 176.870 0.134 0.000 0.997 183 L CA -2.456 52.439 54.840 0.092 0.000 0.818 183 L CB 2.009 44.116 42.059 0.080 0.000 1.310 183 L HN -0.200 nan 8.230 nan 0.000 0.416 184 P HA 0.044 nan 4.420 nan 0.000 0.276 184 P C 0.035 177.421 177.300 0.144 0.000 1.243 184 P CA -0.076 63.122 63.100 0.162 0.000 0.768 184 P CB 0.548 32.309 31.700 0.103 0.000 0.856 185 H N 3.360 122.483 119.070 0.088 0.000 2.521 185 H HA -0.078 4.478 4.556 -0.001 0.000 0.286 185 H C 0.314 175.678 175.328 0.059 0.000 1.034 185 H CA 1.284 57.372 56.048 0.066 0.000 1.278 185 H CB -0.297 29.508 29.762 0.072 0.000 1.386 185 H HN 0.367 nan 8.280 nan 0.000 0.567 186 D N 0.220 120.250 120.400 -0.618 0.000 2.501 186 D HA 0.086 4.725 4.640 -0.001 0.000 0.224 186 D C 0.407 176.610 176.300 -0.163 0.000 1.202 186 D CA -0.484 53.241 54.000 -0.458 0.000 0.829 186 D CB 0.338 40.779 40.800 -0.597 0.000 1.023 186 D HN 0.605 nan 8.370 nan 0.000 0.499 187 R N -0.922 119.530 120.500 -0.079 0.000 2.629 187 R HA 0.496 4.835 4.340 -0.001 0.000 0.266 187 R C -0.983 175.327 176.300 0.016 0.000 1.051 187 R CA -0.879 55.207 56.100 -0.022 0.000 0.895 187 R CB 0.953 31.242 30.300 -0.018 0.000 1.246 187 R HN -0.176 nan 8.270 nan 0.000 0.459 188 M N 2.307 121.916 119.600 0.014 0.000 2.242 188 M HA 0.190 4.670 4.480 -0.001 0.000 0.344 188 M C 0.518 176.827 176.300 0.013 0.000 1.140 188 M CA -0.114 55.197 55.300 0.018 0.000 1.160 188 M CB 1.462 34.016 32.600 -0.076 0.000 1.491 188 M HN 0.874 nan 8.290 nan 0.000 0.459 189 T N -1.698 112.875 114.554 0.032 0.000 2.824 189 T HA 0.229 4.578 4.350 -0.001 0.000 0.277 189 T C 1.209 175.924 174.700 0.024 0.000 0.975 189 T CA -0.360 61.765 62.100 0.042 0.000 0.966 189 T CB 0.999 69.911 68.868 0.074 0.000 1.054 189 T HN 0.771 nan 8.240 nan 0.000 0.533 190 S N -0.045 115.675 115.700 0.035 0.000 2.399 190 S HA -0.184 4.285 4.470 -0.001 0.000 0.231 190 S C 1.933 176.556 174.600 0.039 0.000 1.022 190 S CA 0.713 58.929 58.200 0.027 0.000 0.983 190 S CB -0.746 62.472 63.200 0.030 0.000 0.803 190 S HN 0.719 nan 8.310 nan 0.000 0.480 191 Q N 1.115 120.956 119.800 0.068 0.000 2.020 191 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 191 Q C 2.319 178.372 176.000 0.087 0.000 0.982 191 Q CA 1.795 57.663 55.803 0.108 0.000 0.838 191 Q CB -0.293 28.540 28.738 0.158 0.000 0.899 191 Q HN 0.761 nan 8.270 nan 0.000 0.423 192 E N 0.402 120.616 120.200 0.024 0.000 2.153 192 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 192 E C 1.869 178.443 176.600 -0.043 0.000 0.988 192 E CA 0.849 57.192 56.400 -0.094 0.000 0.811 192 E CB -0.096 29.520 29.700 -0.139 0.000 0.746 192 E HN 0.315 nan 8.360 nan 0.000 0.466 193 A N 1.529 124.319 122.820 -0.051 0.000 1.898 193 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 193 A C 2.403 179.973 177.584 -0.023 0.000 1.181 193 A CA 1.561 53.563 52.037 -0.058 0.000 0.620 193 A CB -0.566 18.407 19.000 -0.045 0.000 0.819 193 A HN 0.291 nan 8.150 nan 0.000 0.442 194 A N -1.127 121.694 122.820 0.003 0.000 1.930 194 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 194 A C 2.175 179.745 177.584 -0.023 0.000 1.175 194 A CA 1.722 53.760 52.037 0.002 0.000 0.627 194 A CB -1.063 17.955 19.000 0.031 0.000 0.815 194 A HN 0.616 nan 8.150 nan 0.000 0.443 195 C N -2.377 116.912 119.300 -0.017 0.000 2.563 195 C HA 0.276 4.736 4.460 -0.001 0.000 0.268 195 C C 0.475 175.152 174.990 -0.522 0.000 1.365 195 C CA -0.121 58.782 59.018 -0.191 0.000 1.754 195 C CB -1.357 26.317 27.740 -0.111 0.000 1.932 195 C HN 0.499 nan 8.230 nan 0.000 0.536 196 F N 0.935 120.762 119.950 -0.204 0.000 2.623 196 F HA 0.279 4.806 4.527 -0.001 0.000 0.361 196 F C -1.314 174.351 175.800 -0.225 0.000 1.469 196 F CA -2.101 55.750 58.000 -0.247 0.000 1.126 196 F CB -0.039 38.675 39.000 -0.476 0.000 1.221 196 F HN 0.020 nan 8.300 nan 0.000 0.536 197 P HA -0.193 nan 4.420 nan 0.000 0.221 197 P C 0.985 178.261 177.300 -0.041 0.000 1.145 197 P CA 1.565 64.637 63.100 -0.047 0.000 0.795 197 P CB 0.214 31.886 31.700 -0.047 0.000 0.775 198 D N -0.331 120.051 120.400 -0.030 0.000 2.269 198 D HA -0.091 4.548 4.640 -0.001 0.000 0.208 198 D C 1.764 178.051 176.300 -0.022 0.000 0.963 198 D CA 0.626 54.616 54.000 -0.017 0.000 0.864 198 D CB -0.640 40.159 40.800 -0.002 0.000 0.936 198 D HN 0.181 nan 8.370 nan 0.000 0.505 199 I N 0.377 120.919 120.570 -0.046 0.000 2.494 199 I HA -0.040 4.129 4.170 -0.001 0.000 0.250 199 I C 2.382 178.426 176.117 -0.121 0.000 1.112 199 I CA 0.208 61.449 61.300 -0.100 0.000 1.438 199 I CB -0.261 37.584 38.000 -0.257 0.000 1.111 199 I HN -0.080 nan 8.210 nan 0.000 0.431 200 I N 0.294 120.781 120.570 -0.139 0.000 2.179 200 I HA -0.178 3.991 4.170 -0.001 0.000 0.242 200 I C 1.581 177.660 176.117 -0.064 0.000 1.088 200 I CA 1.218 62.450 61.300 -0.112 0.000 1.357 200 I CB -0.174 37.762 38.000 -0.105 0.000 1.051 200 I HN 0.248 nan 8.210 nan 0.000 0.409 201 S N 0.178 115.848 115.700 -0.050 0.000 3.334 201 S HA 0.746 5.215 4.470 -0.001 0.000 0.188 201 S C 0.050 174.634 174.600 -0.025 0.000 1.404 201 S CA -0.066 58.115 58.200 -0.033 0.000 1.040 201 S CB -0.330 62.853 63.200 -0.028 0.000 1.352 201 S HN 0.564 nan 8.310 nan 0.000 0.501 202 G N 1.325 110.111 108.800 -0.024 0.000 2.488 202 G HA2 0.574 4.533 3.960 -0.001 0.000 0.301 202 G HA3 0.574 4.533 3.960 -0.001 0.000 0.301 202 G C -3.428 171.466 174.900 -0.009 0.000 1.339 202 G CA -1.209 43.883 45.100 -0.013 0.000 0.803 202 G HN 0.229 nan 8.290 nan 0.000 0.482 203 P HA 0.052 nan 4.420 nan 0.000 0.257 203 P C 0.668 177.973 177.300 0.007 0.000 1.162 203 P CA 0.378 63.482 63.100 0.007 0.000 0.762 203 P CB 0.750 32.459 31.700 0.014 0.000 0.753 204 Q N 3.305 123.109 119.800 0.006 0.000 2.364 204 Q HA -0.247 4.092 4.340 -0.001 0.000 0.207 204 Q C 1.727 177.741 176.000 0.024 0.000 0.970 204 Q CA 1.335 57.143 55.803 0.008 0.000 0.888 204 Q CB -0.433 28.307 28.738 0.004 0.000 0.951 204 Q HN 0.290 nan 8.270 nan 0.000 0.469 205 Q N 0.826 120.643 119.800 0.028 0.000 2.172 205 Q HA -0.059 4.280 4.340 -0.001 0.000 0.200 205 Q C 1.540 177.579 176.000 0.065 0.000 0.964 205 Q CA 2.296 58.123 55.803 0.041 0.000 0.855 205 Q CB -0.637 28.119 28.738 0.031 0.000 0.918 205 Q HN 0.482 nan 8.270 nan 0.000 0.444 206 T N 0.590 115.181 114.554 0.061 0.000 2.951 206 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 206 T C 1.512 176.280 174.700 0.113 0.000 1.073 206 T CA 1.224 63.377 62.100 0.088 0.000 1.134 206 T CB -0.060 68.848 68.868 0.067 0.000 0.884 206 T HN 0.422 nan 8.240 nan 0.000 0.479 207 Q N 0.677 120.519 119.800 0.071 0.000 2.079 207 Q HA -0.069 4.271 4.340 -0.001 0.000 0.200 207 Q C 2.342 178.430 176.000 0.146 0.000 0.974 207 Q CA 1.130 56.979 55.803 0.076 0.000 0.840 207 Q CB -0.149 28.595 28.738 0.009 0.000 0.898 207 Q HN 0.256 nan 8.270 nan 0.000 0.430 208 K N 0.623 121.089 120.400 0.111 0.000 2.097 208 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 208 K C 1.746 178.449 176.600 0.171 0.000 1.049 208 K CA 1.115 57.471 56.287 0.116 0.000 0.933 208 K CB -0.294 32.258 32.500 0.087 0.000 0.717 208 K HN 0.010 nan 8.250 nan 0.000 0.442 209 V N 0.684 120.719 119.914 0.202 0.000 2.358 209 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 209 V C 2.010 178.234 176.094 0.217 0.000 1.047 209 V CA 1.792 64.257 62.300 0.275 0.000 1.035 209 V CB -0.631 31.362 31.823 0.283 0.000 0.658 209 V HN 0.350 nan 8.190 nan 0.000 0.452 210 F N 0.610 120.580 119.950 0.034 0.000 2.069 210 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 210 F C 2.082 177.825 175.800 -0.096 0.000 1.113 210 F CA 1.827 59.784 58.000 -0.071 0.000 1.214 210 F CB -0.321 38.584 39.000 -0.158 0.000 0.978 210 F HN 0.017 nan 8.300 nan 0.000 0.474 211 L N -0.947 120.294 121.223 0.031 0.000 2.079 211 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 211 L C 2.441 179.230 176.870 -0.135 0.000 1.081 211 L CA 1.518 56.310 54.840 -0.080 0.000 0.752 211 L CB -0.883 41.208 42.059 0.052 0.000 0.896 211 L HN 0.264 nan 8.230 nan 0.000 0.433 212 F N 0.479 120.319 119.950 -0.183 0.000 2.146 212 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 212 F C 2.343 177.943 175.800 -0.334 0.000 1.096 212 F CA 1.247 59.094 58.000 -0.254 0.000 1.275 212 F CB 0.011 38.796 39.000 -0.359 0.000 1.008 212 F HN -0.127 nan 8.300 nan 0.000 0.480 213 I N 0.693 121.057 120.570 -0.342 0.000 2.179 213 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 213 I C 2.632 178.502 176.117 -0.412 0.000 1.088 213 I CA 1.364 62.450 61.300 -0.356 0.000 1.357 213 I CB -1.370 36.522 38.000 -0.181 0.000 1.051 213 I HN 0.209 nan 8.210 nan 0.000 0.409 214 R N 1.519 121.713 120.500 -0.510 0.000 2.080 214 R HA -0.187 4.152 4.340 -0.001 0.000 0.236 214 R C 1.851 177.968 176.300 -0.305 0.000 1.137 214 R CA 1.800 57.624 56.100 -0.460 0.000 0.943 214 R CB -0.389 29.509 30.300 -0.670 0.000 0.846 214 R HN 0.384 nan 8.270 nan 0.000 0.431 215 N N 0.768 119.280 118.700 -0.313 0.000 2.166 215 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 215 N C 1.877 177.212 175.510 -0.291 0.000 1.019 215 N CA 1.118 54.031 53.050 -0.230 0.000 0.856 215 N CB -0.401 37.982 38.487 -0.174 0.000 0.993 215 N HN 0.169 nan 8.380 nan 0.000 0.426 216 R N 0.688 120.882 120.500 -0.509 0.000 2.090 216 R HA 0.074 4.414 4.340 -0.001 0.000 0.228 216 R C 1.846 178.010 176.300 -0.227 0.000 1.110 216 R CA 1.443 57.255 56.100 -0.480 0.000 0.973 216 R CB -0.791 29.028 30.300 -0.801 0.000 0.869 216 R HN 0.111 nan 8.270 nan 0.000 0.440 217 T N 0.933 115.378 114.554 -0.182 0.000 2.821 217 T HA -0.043 4.306 4.350 -0.001 0.000 0.267 217 T C 1.687 176.396 174.700 0.015 0.000 1.046 217 T CA 1.311 63.382 62.100 -0.048 0.000 1.139 217 T CB -0.130 68.721 68.868 -0.029 0.000 0.871 217 T HN 0.125 nan 8.240 nan 0.000 0.454 218 L N 0.809 122.025 121.223 -0.011 0.000 2.017 218 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 218 L C 2.950 179.880 176.870 0.101 0.000 1.073 218 L CA 1.452 56.341 54.840 0.082 0.000 0.745 218 L CB -0.577 41.508 42.059 0.043 0.000 0.894 218 L HN 0.296 nan 8.230 nan 0.000 0.432 219 Q N 0.418 120.221 119.800 0.006 0.000 2.096 219 Q HA -0.233 4.106 4.340 -0.001 0.000 0.204 219 Q C 2.356 178.351 176.000 -0.007 0.000 0.982 219 Q CA 1.643 57.437 55.803 -0.014 0.000 0.850 219 Q CB -0.095 28.608 28.738 -0.058 0.000 0.901 219 Q HN 0.503 nan 8.270 nan 0.000 0.422 220 L N -0.150 121.081 121.223 0.014 0.000 2.046 220 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 220 L C 2.435 179.340 176.870 0.058 0.000 1.077 220 L CA 1.430 56.287 54.840 0.028 0.000 0.747 220 L CB -0.753 41.335 42.059 0.048 0.000 0.896 220 L HN 0.560 nan 8.230 nan 0.000 0.432 221 W N 1.102 122.365 121.300 -0.061 0.000 2.378 221 W HA -0.179 4.480 4.660 -0.001 0.000 0.313 221 W C 2.032 178.497 176.519 -0.091 0.000 1.197 221 W CA 1.144 58.438 57.345 -0.086 0.000 1.304 221 W CB -0.276 29.130 29.460 -0.089 0.000 1.148 221 W HN 0.069 nan 8.180 nan 0.000 0.494 222 L N 1.069 122.110 121.223 -0.303 0.000 2.191 222 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 222 L C 1.869 178.541 176.870 -0.331 0.000 1.103 222 L CA 1.456 56.056 54.840 -0.400 0.000 0.769 222 L CB -0.880 41.116 42.059 -0.104 0.000 0.908 222 L HN -0.130 nan 8.230 nan 0.000 0.438 223 D N -0.533 119.733 120.400 -0.223 0.000 2.317 223 D HA -0.066 4.573 4.640 -0.001 0.000 0.211 223 D C 0.614 176.790 176.300 -0.207 0.000 0.966 223 D CA 0.831 54.729 54.000 -0.169 0.000 0.876 223 D CB -0.029 40.712 40.800 -0.098 0.000 0.927 223 D HN 0.126 nan 8.370 nan 0.000 0.519 224 N N -0.516 118.000 118.700 -0.306 0.000 2.785 224 N HA 0.070 4.810 4.740 -0.001 0.000 0.224 224 N C -2.478 172.721 175.510 -0.519 0.000 1.448 224 N CA -1.049 51.821 53.050 -0.299 0.000 0.748 224 N CB 1.147 39.537 38.487 -0.162 0.000 1.385 224 N HN -0.177 nan 8.380 nan 0.000 0.538 225 P HA 0.010 nan 4.420 nan 0.000 0.242 225 P C 0.333 177.262 177.300 -0.618 0.000 1.197 225 P CA 0.563 62.886 63.100 -1.295 0.000 0.765 225 P CB 0.364 31.394 31.700 -1.116 0.000 0.936 226 K N -0.645 119.582 120.400 -0.289 0.000 2.393 226 K HA 0.213 4.533 4.320 -0.001 0.000 0.193 226 K C 0.956 177.607 176.600 0.086 0.000 1.026 226 K CA 0.074 56.328 56.287 -0.054 0.000 1.064 226 K CB 0.512 32.977 32.500 -0.058 0.000 0.833 226 K HN 0.234 nan 8.250 nan 0.000 0.521 227 I N 0.785 121.391 120.570 0.060 0.000 2.608 227 I HA 0.078 4.248 4.170 -0.001 0.000 0.295 227 I C -0.754 175.493 176.117 0.217 0.000 1.049 227 I CA -0.956 60.441 61.300 0.162 0.000 1.063 227 I CB 1.968 40.016 38.000 0.081 0.000 1.248 227 I HN -0.022 nan 8.210 nan 0.000 0.424 228 Q N 5.669 125.636 119.800 0.278 0.000 2.330 228 Q HA 0.112 4.451 4.340 -0.001 0.000 0.279 228 Q C -1.387 174.696 176.000 0.140 0.000 1.024 228 Q CA -0.222 55.655 55.803 0.123 0.000 0.900 228 Q CB 1.069 29.978 28.738 0.285 0.000 1.221 228 Q HN 0.609 nan 8.270 nan 0.000 0.396 229 L N 5.327 126.625 121.223 0.125 0.000 2.272 229 L HA 0.308 4.648 4.340 -0.001 0.000 0.284 229 L C -0.376 176.665 176.870 0.285 0.000 1.045 229 L CA 0.005 54.965 54.840 0.201 0.000 0.842 229 L CB 0.915 43.124 42.059 0.250 0.000 1.224 229 L HN 0.789 nan 8.230 nan 0.000 0.430 230 T N 0.858 115.521 114.554 0.181 0.000 2.828 230 T HA 0.134 4.484 4.350 -0.001 0.000 0.290 230 T C 1.022 175.626 174.700 -0.160 0.000 1.019 230 T CA -0.176 61.988 62.100 0.108 0.000 1.031 230 T CB 0.468 69.370 68.868 0.057 0.000 1.001 230 T HN 0.464 nan 8.240 nan 0.000 0.531 231 F N 0.758 120.341 119.950 -0.610 0.000 2.134 231 F HA -0.018 4.508 4.527 -0.001 0.000 0.299 231 F C 2.319 177.960 175.800 -0.264 0.000 1.097 231 F CA 1.865 59.389 58.000 -0.793 0.000 1.264 231 F CB -0.638 38.104 39.000 -0.430 0.000 1.001 231 F HN 0.909 nan 8.300 nan 0.000 0.479 232 E N 0.302 120.224 120.200 -0.463 0.000 2.058 232 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 232 E C 2.263 178.696 176.600 -0.279 0.000 0.997 232 E CA 1.266 57.397 56.400 -0.450 0.000 0.801 232 E CB -0.433 29.152 29.700 -0.192 0.000 0.746 232 E HN 0.450 nan 8.360 nan 0.000 0.450 233 A N 0.113 122.845 122.820 -0.147 0.000 2.015 233 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 233 A C 2.313 179.861 177.584 -0.060 0.000 1.163 233 A CA 1.774 53.769 52.037 -0.070 0.000 0.646 233 A CB -0.685 18.312 19.000 -0.006 0.000 0.806 233 A HN 0.341 nan 8.150 nan 0.000 0.448 234 T N 0.045 114.555 114.554 -0.074 0.000 2.737 234 T HA -0.109 4.240 4.350 -0.001 0.000 0.265 234 T C 1.827 176.501 174.700 -0.044 0.000 1.038 234 T CA 1.443 63.538 62.100 -0.008 0.000 1.144 234 T CB -0.336 68.583 68.868 0.085 0.000 0.866 234 T HN 0.307 nan 8.240 nan 0.000 0.434 235 L N 1.293 122.419 121.223 -0.163 0.000 2.046 235 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 235 L C 2.357 179.186 176.870 -0.069 0.000 1.077 235 L CA 1.774 56.529 54.840 -0.140 0.000 0.747 235 L CB -0.611 41.240 42.059 -0.346 0.000 0.896 235 L HN 0.248 nan 8.230 nan 0.000 0.432 236 Q N -1.251 118.496 119.800 -0.088 0.000 2.436 236 Q HA -0.147 4.192 4.340 -0.001 0.000 0.209 236 Q C 1.682 177.679 176.000 -0.005 0.000 0.965 236 Q CA 0.936 56.714 55.803 -0.042 0.000 0.910 236 Q CB 0.043 28.751 28.738 -0.051 0.000 0.980 236 Q HN 0.671 nan 8.270 nan 0.000 0.491 237 Q N -0.455 119.348 119.800 0.004 0.000 2.281 237 Q HA 0.202 4.541 4.340 -0.001 0.000 0.215 237 Q C -0.098 175.937 176.000 0.058 0.000 0.867 237 Q CA -0.177 55.642 55.803 0.026 0.000 0.940 237 Q CB 0.816 29.564 28.738 0.018 0.000 1.111 237 Q HN 0.268 nan 8.270 nan 0.000 0.513 238 L N 2.929 124.198 121.223 0.077 0.000 2.371 238 L HA 0.103 4.442 4.340 -0.001 0.000 0.272 238 L C 0.635 177.620 176.870 0.191 0.000 1.124 238 L CA -0.485 54.446 54.840 0.152 0.000 0.816 238 L CB 0.575 42.742 42.059 0.180 0.000 1.129 238 L HN 0.182 nan 8.230 nan 0.000 0.448 239 E N 2.793 123.161 120.200 0.280 0.000 2.318 239 E HA 0.406 4.756 4.350 -0.001 0.000 0.265 239 E C -0.417 176.312 176.600 0.216 0.000 1.069 239 E CA -0.768 55.766 56.400 0.223 0.000 0.893 239 E CB 1.068 30.900 29.700 0.220 0.000 1.076 239 E HN 0.519 nan 8.360 nan 0.000 0.414 240 A N 2.572 125.434 122.820 0.071 0.000 2.466 240 A HA 0.233 4.552 4.320 -0.001 0.000 0.238 240 A C -1.289 176.166 177.584 -0.215 0.000 1.074 240 A CA -0.830 51.184 52.037 -0.038 0.000 0.774 240 A CB -0.262 18.714 19.000 -0.040 0.000 1.015 240 A HN 0.672 nan 8.150 nan 0.000 0.498 241 P HA 0.017 nan 4.420 nan 0.000 0.255 241 P C 0.243 177.404 177.300 -0.232 0.000 1.248 241 P CA 0.588 63.507 63.100 -0.303 0.000 0.807 241 P CB 0.012 31.527 31.700 -0.309 0.000 1.150 242 Y N 2.603 122.939 120.300 0.060 0.000 2.181 242 Y HA -0.183 4.366 4.550 -0.001 0.000 0.288 242 Y C 2.202 178.160 175.900 0.098 0.000 1.146 242 Y CA 1.818 59.982 58.100 0.107 0.000 1.164 242 Y CB -2.019 36.556 38.460 0.192 0.000 0.982 242 Y HN 0.211 nan 8.280 nan 0.000 0.515 243 N N -1.083 117.745 118.700 0.213 0.000 2.609 243 N HA -0.086 4.653 4.740 -0.001 0.000 0.190 243 N C 1.190 176.754 175.510 0.089 0.000 1.157 243 N CA 0.807 53.936 53.050 0.133 0.000 0.918 243 N CB -0.165 38.377 38.487 0.092 0.000 0.978 243 N HN 0.083 nan 8.380 nan 0.000 0.448 244 S N -0.117 115.632 115.700 0.081 0.000 2.497 244 S HA -0.024 4.445 4.470 -0.001 0.000 0.218 244 S C 0.324 174.975 174.600 0.085 0.000 1.023 244 S CA -0.104 58.132 58.200 0.059 0.000 0.913 244 S CB 0.179 63.393 63.200 0.024 0.000 0.800 244 S HN 0.294 nan 8.310 nan 0.000 0.505 245 D N 2.186 122.657 120.400 0.119 0.000 2.713 245 D HA 0.206 4.845 4.640 -0.001 0.000 0.229 245 D C 0.805 177.216 176.300 0.185 0.000 1.136 245 D CA 0.099 54.184 54.000 0.142 0.000 1.010 245 D CB 0.186 41.083 40.800 0.162 0.000 1.084 245 D HN 0.075 nan 8.370 nan 0.000 0.495 246 T N 0.029 114.690 114.554 0.178 0.000 2.699 246 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 246 T C 2.061 176.942 174.700 0.302 0.000 1.036 246 T CA 1.071 63.324 62.100 0.255 0.000 1.147 246 T CB 0.174 69.168 68.868 0.209 0.000 0.862 246 T HN 0.216 nan 8.240 nan 0.000 0.446 247 V N 1.237 121.268 119.914 0.194 0.000 2.358 247 V HA -0.068 4.052 4.120 -0.001 0.000 0.246 247 V C 2.395 178.613 176.094 0.206 0.000 1.047 247 V CA 1.224 63.615 62.300 0.153 0.000 1.035 247 V CB -0.591 31.290 31.823 0.096 0.000 0.658 247 V HN 0.432 nan 8.190 nan 0.000 0.452 248 L N -0.136 121.219 121.223 0.220 0.000 2.017 248 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 248 L C 2.474 179.507 176.870 0.272 0.000 1.073 248 L CA 1.624 56.617 54.840 0.255 0.000 0.745 248 L CB -0.163 42.038 42.059 0.237 0.000 0.894 248 L HN 0.215 nan 8.230 nan 0.000 0.432 249 V N -0.513 119.573 119.914 0.287 0.000 2.287 249 V HA -0.363 3.756 4.120 -0.001 0.000 0.248 249 V C 2.562 178.867 176.094 0.351 0.000 1.053 249 V CA 2.153 64.644 62.300 0.318 0.000 1.027 249 V CB -1.080 30.972 31.823 0.381 0.000 0.646 249 V HN 0.598 nan 8.190 nan 0.000 0.447 250 H N 0.863 120.039 119.070 0.178 0.000 2.353 250 H HA -0.121 4.434 4.556 -0.001 0.000 0.300 250 H C 2.564 177.869 175.328 -0.037 0.000 1.090 250 H CA 1.968 57.821 56.048 -0.325 0.000 1.327 250 H CB 0.087 29.354 29.762 -0.826 0.000 1.383 250 H HN 0.356 nan 8.280 nan 0.000 0.508 251 R N -0.179 120.442 120.500 0.202 0.000 2.096 251 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 251 R C 2.583 179.136 176.300 0.422 0.000 1.127 251 R CA 1.267 57.538 56.100 0.285 0.000 0.968 251 R CB 0.019 30.560 30.300 0.402 0.000 0.861 251 R HN 0.160 nan 8.270 nan 0.000 0.440 252 V N 0.123 120.240 119.914 0.338 0.000 2.407 252 V HA -0.211 3.909 4.120 -0.001 0.000 0.245 252 V C 2.360 178.568 176.094 0.190 0.000 1.041 252 V CA 1.570 63.998 62.300 0.214 0.000 1.040 252 V CB -0.690 31.084 31.823 -0.083 0.000 0.671 252 V HN 0.422 nan 8.190 nan 0.000 0.455 253 H N 0.435 119.535 119.070 0.051 0.000 2.353 253 H HA -0.119 4.436 4.556 -0.001 0.000 0.300 253 H C 2.390 177.689 175.328 -0.049 0.000 1.090 253 H CA 1.979 58.033 56.048 0.010 0.000 1.327 253 H CB 0.121 29.923 29.762 0.066 0.000 1.383 253 H HN 0.407 nan 8.280 nan 0.000 0.508 254 S N -0.003 115.692 115.700 -0.010 0.000 2.368 254 S HA -0.164 4.305 4.470 -0.001 0.000 0.224 254 S C 1.956 176.558 174.600 0.004 0.000 1.029 254 S CA 1.198 59.345 58.200 -0.088 0.000 0.988 254 S CB -0.614 62.464 63.200 -0.204 0.000 0.838 254 S HN 0.591 nan 8.310 nan 0.000 0.462 255 Y N 2.361 122.693 120.300 0.053 0.000 2.145 255 Y HA -0.098 4.451 4.550 -0.001 0.000 0.286 255 Y C 1.896 177.871 175.900 0.125 0.000 1.145 255 Y CA 1.367 59.568 58.100 0.167 0.000 1.148 255 Y CB -0.472 38.200 38.460 0.352 0.000 0.981 255 Y HN 0.116 nan 8.280 nan 0.000 0.507 256 L N 0.291 121.530 121.223 0.026 0.000 2.042 256 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 256 L C 2.612 179.350 176.870 -0.221 0.000 1.076 256 L CA 2.062 56.820 54.840 -0.136 0.000 0.749 256 L CB -0.649 41.347 42.059 -0.104 0.000 0.893 256 L HN 0.366 nan 8.230 nan 0.000 0.432 257 E N 0.298 120.342 120.200 -0.260 0.000 2.072 257 E HA -0.276 4.074 4.350 -0.001 0.000 0.191 257 E C 2.296 178.839 176.600 -0.094 0.000 0.985 257 E CA 0.912 57.176 56.400 -0.227 0.000 0.801 257 E CB 0.094 29.635 29.700 -0.265 0.000 0.750 257 E HN 0.137 nan 8.360 nan 0.000 0.452 258 R N 0.485 120.871 120.500 -0.191 0.000 2.096 258 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 258 R C 1.450 177.606 176.300 -0.241 0.000 1.127 258 R CA 1.855 57.759 56.100 -0.326 0.000 0.968 258 R CB -0.524 29.558 30.300 -0.364 0.000 0.861 258 R HN 0.393 nan 8.270 nan 0.000 0.440 259 H N -1.260 117.648 119.070 -0.271 0.000 2.524 259 H HA 0.223 4.778 4.556 -0.001 0.000 0.280 259 H C 0.567 175.775 175.328 -0.199 0.000 1.018 259 H CA 0.456 56.351 56.048 -0.255 0.000 1.165 259 H CB 0.359 29.851 29.762 -0.450 0.000 1.411 259 H HN 0.506 nan 8.280 nan 0.000 0.569 260 G N 1.520 110.281 108.800 -0.065 0.000 2.168 260 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.257 260 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.257 260 G C 1.037 175.782 174.900 -0.258 0.000 0.997 260 G CA 0.415 45.437 45.100 -0.131 0.000 0.708 260 G HN 0.428 nan 8.290 nan 0.000 0.520 261 L N -0.426 120.679 121.223 -0.196 0.000 2.418 261 L HA 0.365 4.704 4.340 -0.001 0.000 0.218 261 L C 1.609 178.403 176.870 -0.126 0.000 1.125 261 L CA 1.035 55.784 54.840 -0.153 0.000 0.835 261 L CB -0.151 41.848 42.059 -0.100 0.000 0.953 261 L HN 0.633 nan 8.230 nan 0.000 0.454 262 I N -5.927 114.407 120.570 -0.393 0.000 3.074 262 I HA 0.435 4.604 4.170 -0.001 0.000 0.310 262 I C -0.748 174.630 176.117 -1.231 0.000 1.153 262 I CA -1.050 59.548 61.300 -1.171 0.000 0.993 262 I CB 1.774 39.309 38.000 -0.775 0.000 1.237 262 I HN -0.138 nan 8.210 nan 0.000 0.443 263 N N 2.361 119.633 118.700 -2.380 0.000 2.696 263 N HA -0.220 4.519 4.740 -0.001 0.000 0.256 263 N C -1.107 174.036 175.510 -0.612 0.000 1.031 263 N CA 1.485 53.559 53.050 -1.627 0.000 0.730 263 N CB -1.316 36.690 38.487 -0.802 0.000 0.894 263 N HN 0.726 nan 8.380 nan 0.000 0.544 264 F N -2.934 116.735 119.950 -0.468 0.000 2.631 264 F HA 0.868 5.394 4.527 -0.001 0.000 0.328 264 F C 1.099 177.097 175.800 0.331 0.000 1.067 264 F CA 0.030 58.049 58.000 0.031 0.000 0.969 264 F CB 1.035 40.007 39.000 -0.047 0.000 1.332 264 F HN 0.237 nan 8.300 nan 0.000 0.490 265 G N 1.263 110.295 108.800 0.386 0.000 2.498 265 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.251 265 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.251 265 G C -1.126 173.878 174.900 0.173 0.000 1.170 265 G CA -0.177 45.066 45.100 0.238 0.000 0.944 265 G HN 1.004 nan 8.290 nan 0.000 0.567 266 I N 1.621 122.275 120.570 0.140 0.000 2.389 266 I HA 0.679 4.848 4.170 -0.001 0.000 0.288 266 I C -0.226 175.962 176.117 0.119 0.000 0.999 266 I CA -0.813 60.497 61.300 0.016 0.000 1.129 266 I CB 1.502 39.498 38.000 -0.007 0.000 1.288 266 I HN 0.774 nan 8.210 nan 0.000 0.444 267 Y N 3.240 123.565 120.300 0.042 0.000 2.638 267 Y HA 0.545 5.095 4.550 -0.001 0.000 0.335 267 Y C -1.101 174.826 175.900 0.045 0.000 1.155 267 Y CA -1.580 56.553 58.100 0.055 0.000 1.046 267 Y CB 0.891 39.446 38.460 0.157 0.000 1.303 267 Y HN 0.211 nan 8.280 nan 0.000 0.460 268 K N 2.481 122.995 120.400 0.191 0.000 2.339 268 K HA 0.282 4.602 4.320 -0.001 0.000 0.286 268 K C -0.501 176.223 176.600 0.205 0.000 1.050 268 K CA -0.386 55.968 56.287 0.112 0.000 0.956 268 K CB 0.803 33.358 32.500 0.091 0.000 0.990 268 K HN 0.696 nan 8.250 nan 0.000 0.475 269 R N 3.295 123.859 120.500 0.106 0.000 2.308 269 R HA 0.107 4.446 4.340 -0.001 0.000 0.305 269 R C 1.524 177.895 176.300 0.117 0.000 1.053 269 R CA -0.249 55.942 56.100 0.151 0.000 0.957 269 R CB 0.556 30.902 30.300 0.076 0.000 1.022 269 R HN 0.594 nan 8.270 nan 0.000 0.461 270 I N -0.679 119.971 120.570 0.132 0.000 3.462 270 I HA 0.105 4.275 4.170 -0.001 0.000 0.290 270 I C 0.073 176.239 176.117 0.082 0.000 1.236 270 I CA 0.919 62.274 61.300 0.092 0.000 1.418 270 I CB -0.078 37.974 38.000 0.087 0.000 1.102 270 I HN 0.342 nan 8.210 nan 0.000 0.441 271 K N 3.295 123.756 120.400 0.100 0.000 2.360 271 K HA 0.442 4.761 4.320 -0.001 0.000 0.235 271 K C -2.359 174.289 176.600 0.080 0.000 1.077 271 K CA -1.814 54.527 56.287 0.089 0.000 1.035 271 K CB 0.592 33.156 32.500 0.107 0.000 1.623 271 K HN 0.071 nan 8.250 nan 0.000 0.462 272 P HA -0.138 nan 4.420 nan 0.000 0.263 272 P C -0.201 177.125 177.300 0.044 0.000 1.168 272 P CA 0.330 63.456 63.100 0.043 0.000 0.759 272 P CB 0.475 32.194 31.700 0.031 0.000 0.782 273 L N 5.471 126.715 121.223 0.034 0.000 2.525 273 L HA 0.084 4.424 4.340 -0.001 0.000 0.278 273 L C -1.198 175.690 176.870 0.031 0.000 1.218 273 L CA -1.310 53.551 54.840 0.035 0.000 0.878 273 L CB -0.452 41.616 42.059 0.016 0.000 1.127 273 L HN 0.352 nan 8.230 nan 0.000 0.492 274 P HA 0.001 nan 4.420 nan 0.000 0.276 274 P C 0.452 177.767 177.300 0.024 0.000 1.235 274 P CA -0.304 62.816 63.100 0.033 0.000 0.772 274 P CB 1.299 33.023 31.700 0.040 0.000 0.871 275 T N 1.537 116.103 114.554 0.019 0.000 2.803 275 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 275 T C 0.941 175.650 174.700 0.015 0.000 1.052 275 T CA 0.958 63.066 62.100 0.014 0.000 1.136 275 T CB -0.427 68.449 68.868 0.013 0.000 0.864 275 T HN 0.452 nan 8.240 nan 0.000 0.467 276 K N 2.690 123.101 120.400 0.019 0.000 2.292 276 K HA 0.236 4.555 4.320 -0.001 0.000 0.290 276 K C -0.825 175.789 176.600 0.023 0.000 1.083 276 K CA -0.093 56.206 56.287 0.020 0.000 0.918 276 K CB 0.498 33.011 32.500 0.022 0.000 1.089 276 K HN 0.318 nan 8.250 nan 0.000 0.473 277 K N 2.361 122.772 120.400 0.018 0.000 2.234 277 K HA 0.188 4.507 4.320 -0.001 0.000 0.277 277 K C -0.567 176.046 176.600 0.022 0.000 1.038 277 K CA -0.389 55.909 56.287 0.018 0.000 0.888 277 K CB 1.253 33.757 32.500 0.006 0.000 1.091 277 K HN 0.461 nan 8.250 nan 0.000 0.467 278 T N 1.954 116.526 114.554 0.031 0.000 2.767 278 T HA 0.432 4.782 4.350 -0.001 0.000 0.288 278 T C 0.131 174.854 174.700 0.038 0.000 0.963 278 T CA -0.275 61.850 62.100 0.041 0.000 1.019 278 T CB 1.239 70.139 68.868 0.052 0.000 0.923 278 T HN 0.859 nan 8.240 nan 0.000 0.468 279 G N 2.327 111.152 108.800 0.042 0.000 2.778 279 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.686 279 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.686 279 G C -0.794 174.080 174.900 -0.044 0.000 1.309 279 G CA -0.738 44.373 45.100 0.018 0.000 0.904 279 G HN 0.787 nan 8.290 nan 0.000 0.593 280 K N 0.212 120.566 120.400 -0.076 0.000 2.376 280 K HA 0.742 5.061 4.320 -0.001 0.000 0.257 280 K C -0.660 175.848 176.600 -0.152 0.000 0.939 280 K CA -0.504 55.732 56.287 -0.085 0.000 0.809 280 K CB 1.999 34.480 32.500 -0.032 0.000 1.121 280 K HN 1.594 nan 8.250 nan 0.000 0.425 281 V N 5.915 125.732 119.914 -0.162 0.000 2.588 281 V HA 0.598 4.717 4.120 -0.001 0.000 0.304 281 V C -1.346 174.660 176.094 -0.146 0.000 1.042 281 V CA -0.861 61.325 62.300 -0.191 0.000 0.877 281 V CB 1.454 33.117 31.823 -0.265 0.000 0.996 281 V HN 0.734 nan 8.190 nan 0.000 0.425 282 I N 7.229 127.724 120.570 -0.125 0.000 2.321 282 I HA 0.428 4.597 4.170 -0.001 0.000 0.291 282 I C -0.278 175.759 176.117 -0.134 0.000 0.998 282 I CA -0.272 60.945 61.300 -0.139 0.000 1.227 282 I CB 1.432 39.362 38.000 -0.116 0.000 1.368 282 I HN 0.518 nan 8.210 nan 0.000 0.466 283 I N 7.574 128.054 120.570 -0.150 0.000 2.336 283 I HA 0.310 4.480 4.170 -0.001 0.000 0.292 283 I C 0.362 176.403 176.117 -0.126 0.000 0.991 283 I CA -0.154 61.071 61.300 -0.126 0.000 1.227 283 I CB 0.917 38.843 38.000 -0.123 0.000 1.366 283 I HN 0.258 nan 8.210 nan 0.000 0.466 284 I N 6.075 126.590 120.570 -0.092 0.000 2.304 284 I HA 0.606 4.776 4.170 -0.001 0.000 0.291 284 I C 0.581 176.666 176.117 -0.054 0.000 1.018 284 I CA -0.296 60.957 61.300 -0.080 0.000 1.260 284 I CB 0.453 38.427 38.000 -0.043 0.000 1.390 284 I HN 0.779 nan 8.210 nan 0.000 0.475 285 G N 3.582 112.335 108.800 -0.077 0.000 3.067 285 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.686 285 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.686 285 G C -0.207 174.657 174.900 -0.061 0.000 1.119 285 G CA -0.548 44.520 45.100 -0.053 0.000 0.790 285 G HN 0.561 nan 8.290 nan 0.000 0.605 286 S N 1.275 116.937 115.700 -0.064 0.000 2.506 286 S HA 0.558 5.027 4.470 -0.001 0.000 0.245 286 S C 1.381 175.962 174.600 -0.032 0.000 1.088 286 S CA 0.874 59.038 58.200 -0.061 0.000 1.099 286 S CB -0.683 62.469 63.200 -0.080 0.000 0.805 286 S HN 1.596 nan 8.310 nan 0.000 0.461 287 G N 0.323 109.116 108.800 -0.012 0.000 2.508 287 G HA2 0.342 4.302 3.960 -0.001 0.000 0.278 287 G HA3 0.342 4.302 3.960 -0.001 0.000 0.278 287 G C 1.086 175.977 174.900 -0.016 0.000 1.389 287 G CA -0.341 44.759 45.100 -0.001 0.000 1.050 287 G HN 0.228 nan 8.290 nan 0.000 0.522 288 V N 0.698 120.596 119.914 -0.025 0.000 2.332 288 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 288 V C 3.273 179.357 176.094 -0.018 0.000 1.055 288 V CA 2.687 64.969 62.300 -0.029 0.000 1.038 288 V CB -0.588 31.203 31.823 -0.054 0.000 0.651 288 V HN 0.830 nan 8.190 nan 0.000 0.450 289 S N 0.769 116.463 115.700 -0.010 0.000 2.368 289 S HA -0.094 4.375 4.470 -0.001 0.000 0.224 289 S C 2.128 176.714 174.600 -0.023 0.000 1.029 289 S CA 1.368 59.562 58.200 -0.010 0.000 0.988 289 S CB -0.986 62.220 63.200 0.010 0.000 0.838 289 S HN 0.524 nan 8.310 nan 0.000 0.462 290 G N 1.885 110.672 108.800 -0.022 0.000 2.418 290 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.217 290 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.217 290 G C 1.483 176.347 174.900 -0.060 0.000 1.158 290 G CA 0.862 45.936 45.100 -0.044 0.000 0.771 290 G HN 0.491 nan 8.290 nan 0.000 0.545 291 L N 0.621 121.815 121.223 -0.048 0.000 2.056 291 L HA -0.027 4.312 4.340 -0.001 0.000 0.207 291 L C 3.409 180.249 176.870 -0.050 0.000 1.078 291 L CA 1.005 55.814 54.840 -0.051 0.000 0.749 291 L CB -0.376 41.663 42.059 -0.034 0.000 0.901 291 L HN 0.300 nan 8.230 nan 0.000 0.433 292 A N -0.009 122.791 122.820 -0.033 0.000 1.902 292 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 292 A C 2.515 180.056 177.584 -0.071 0.000 1.181 292 A CA 1.769 53.792 52.037 -0.023 0.000 0.623 292 A CB -0.726 18.271 19.000 -0.006 0.000 0.818 292 A HN 0.397 nan 8.150 nan 0.000 0.443 293 A N -0.188 122.580 122.820 -0.087 0.000 1.898 293 A HA 0.202 4.522 4.320 -0.001 0.000 0.216 293 A C 2.514 180.000 177.584 -0.164 0.000 1.181 293 A CA 2.007 53.968 52.037 -0.126 0.000 0.620 293 A CB -1.058 17.877 19.000 -0.108 0.000 0.819 293 A HN 1.037 nan 8.150 nan 0.000 0.442 294 A N 0.134 122.872 122.820 -0.137 0.000 1.865 294 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 294 A C 2.245 179.725 177.584 -0.174 0.000 1.191 294 A CA 1.724 53.673 52.037 -0.147 0.000 0.623 294 A CB -0.591 18.337 19.000 -0.120 0.000 0.826 294 A HN 0.547 nan 8.150 nan 0.000 0.444 295 R N -0.955 119.453 120.500 -0.153 0.000 2.105 295 R HA -0.156 4.183 4.340 -0.001 0.000 0.239 295 R C 2.471 178.614 176.300 -0.261 0.000 1.135 295 R CA 1.482 57.483 56.100 -0.166 0.000 0.967 295 R CB -0.336 29.898 30.300 -0.110 0.000 0.861 295 R HN 0.587 nan 8.270 nan 0.000 0.442 296 Q N 0.440 120.035 119.800 -0.343 0.000 1.990 296 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 296 Q C 2.234 177.575 176.000 -1.098 0.000 0.980 296 Q CA 1.117 56.495 55.803 -0.708 0.000 0.832 296 Q CB -0.390 27.994 28.738 -0.589 0.000 0.897 296 Q HN 0.195 nan 8.270 nan 0.000 0.427 297 L N 1.408 122.253 121.223 -0.630 0.000 2.081 297 L HA -0.214 4.126 4.340 -0.001 0.000 0.212 297 L C 2.471 179.198 176.870 -0.238 0.000 1.080 297 L CA 1.738 56.357 54.840 -0.367 0.000 0.754 297 L CB -1.056 40.877 42.059 -0.210 0.000 0.893 297 L HN 0.360 nan 8.230 nan 0.000 0.433 298 Q N -0.879 118.781 119.800 -0.233 0.000 2.046 298 Q HA -0.187 4.153 4.340 -0.001 0.000 0.200 298 Q C 2.268 178.211 176.000 -0.096 0.000 0.975 298 Q CA 2.044 57.766 55.803 -0.135 0.000 0.836 298 Q CB 0.016 28.675 28.738 -0.131 0.000 0.896 298 Q HN 0.637 nan 8.270 nan 0.000 0.428 299 S N -0.463 115.140 115.700 -0.161 0.000 2.442 299 S HA -0.085 4.385 4.470 -0.001 0.000 0.236 299 S C 1.249 175.951 174.600 0.170 0.000 1.007 299 S CA 0.559 58.741 58.200 -0.030 0.000 0.965 299 S CB -0.291 62.889 63.200 -0.033 0.000 0.773 299 S HN 0.349 nan 8.310 nan 0.000 0.504 300 F N 2.195 122.137 119.950 -0.013 0.000 2.797 300 F HA 0.410 4.937 4.527 -0.001 0.000 0.302 300 F C 2.034 177.827 175.800 -0.011 0.000 1.130 300 F CA -0.954 57.037 58.000 -0.016 0.000 1.387 300 F CB -1.016 37.960 39.000 -0.040 0.000 1.107 300 F HN 0.411 nan 8.300 nan 0.000 0.577 301 G N 0.441 109.333 108.800 0.152 0.000 2.136 301 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.242 301 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.242 301 G C 0.344 175.278 174.900 0.056 0.000 0.989 301 G CA 0.025 45.175 45.100 0.084 0.000 0.682 301 G HN 0.269 nan 8.290 nan 0.000 0.522 302 M N 0.132 119.758 119.600 0.043 0.000 2.471 302 M HA 0.366 4.845 4.480 -0.001 0.000 0.309 302 M C -0.207 176.075 176.300 -0.029 0.000 1.186 302 M CA -0.668 54.635 55.300 0.005 0.000 1.008 302 M CB 0.909 33.502 32.600 -0.012 0.000 1.551 302 M HN 0.062 nan 8.290 nan 0.000 0.477 303 D N 2.086 122.463 120.400 -0.039 0.000 2.347 303 D HA 0.350 4.989 4.640 -0.001 0.000 0.235 303 D C -1.599 174.657 176.300 -0.074 0.000 1.149 303 D CA 0.028 54.001 54.000 -0.046 0.000 0.850 303 D CB 1.030 41.813 40.800 -0.029 0.000 1.061 303 D HN 0.373 nan 8.370 nan 0.000 0.487 304 V N 3.064 122.927 119.914 -0.085 0.000 2.656 304 V HA 0.652 4.771 4.120 -0.001 0.000 0.307 304 V C -0.916 175.109 176.094 -0.116 0.000 1.051 304 V CA -0.225 62.009 62.300 -0.111 0.000 0.893 304 V CB 2.185 33.931 31.823 -0.128 0.000 0.999 304 V HN 0.500 nan 8.190 nan 0.000 0.426 305 T N 7.575 122.044 114.554 -0.142 0.000 2.881 305 T HA 0.670 5.019 4.350 -0.001 0.000 0.290 305 T C -0.936 173.634 174.700 -0.217 0.000 1.000 305 T CA -0.266 61.728 62.100 -0.176 0.000 0.978 305 T CB 1.299 70.045 68.868 -0.203 0.000 0.997 305 T HN 0.610 nan 8.240 nan 0.000 0.443 306 L N 3.475 124.575 121.223 -0.206 0.000 2.295 306 L HA 0.565 4.904 4.340 -0.001 0.000 0.285 306 L C -0.433 176.285 176.870 -0.253 0.000 1.035 306 L CA -0.414 54.304 54.840 -0.203 0.000 0.806 306 L CB 0.941 42.908 42.059 -0.152 0.000 1.214 306 L HN 0.439 nan 8.230 nan 0.000 0.426 307 L N 3.055 124.119 121.223 -0.264 0.000 2.276 307 L HA 0.524 4.864 4.340 -0.001 0.000 0.286 307 L C -0.356 176.384 176.870 -0.217 0.000 1.024 307 L CA -0.502 54.167 54.840 -0.285 0.000 0.826 307 L CB 1.481 43.350 42.059 -0.317 0.000 1.211 307 L HN 0.525 nan 8.230 nan 0.000 0.422 308 E N 2.245 122.313 120.200 -0.220 0.000 2.165 308 E HA 0.476 4.825 4.350 -0.001 0.000 0.266 308 E C 0.374 176.785 176.600 -0.316 0.000 0.889 308 E CA -0.321 55.942 56.400 -0.228 0.000 0.756 308 E CB 2.030 31.622 29.700 -0.180 0.000 1.131 308 E HN 0.569 nan 8.360 nan 0.000 0.411 309 A N 5.432 127.965 122.820 -0.478 0.000 1.933 309 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 309 A C 1.101 178.205 177.584 -0.799 0.000 1.175 309 A CA 1.047 52.585 52.037 -0.831 0.000 0.628 309 A CB -0.242 17.761 19.000 -1.662 0.000 0.814 309 A HN 0.620 nan 8.150 nan 0.000 0.444 310 R N -0.075 120.048 120.500 -0.629 0.000 2.652 310 R HA 0.241 4.581 4.340 -0.001 0.000 0.272 310 R C -0.005 176.189 176.300 -0.176 0.000 1.162 310 R CA 0.250 56.145 56.100 -0.341 0.000 1.199 310 R CB 0.084 30.283 30.300 -0.168 0.000 1.166 310 R HN 0.467 nan 8.270 nan 0.000 0.597 311 D N 0.059 120.412 120.400 -0.077 0.000 2.427 311 D HA 0.038 4.677 4.640 -0.001 0.000 0.224 311 D C -0.213 176.066 176.300 -0.034 0.000 1.157 311 D CA -0.266 53.705 54.000 -0.048 0.000 0.828 311 D CB -0.012 40.781 40.800 -0.012 0.000 0.974 311 D HN 0.476 nan 8.370 nan 0.000 0.498 312 R N -1.430 119.046 120.500 -0.040 0.000 2.716 312 R HA 0.574 4.913 4.340 -0.001 0.000 0.271 312 R C -0.827 175.457 176.300 -0.027 0.000 1.028 312 R CA -1.078 55.010 56.100 -0.020 0.000 0.883 312 R CB 0.983 31.290 30.300 0.011 0.000 1.250 312 R HN -0.106 nan 8.270 nan 0.000 0.465 313 V N -1.551 118.353 119.914 -0.018 0.000 3.234 313 V HA 0.860 4.980 4.120 -0.001 0.000 0.317 313 V C 0.973 177.073 176.094 0.009 0.000 1.081 313 V CA 0.456 62.745 62.300 -0.020 0.000 1.037 313 V CB 0.752 32.559 31.823 -0.027 0.000 1.148 313 V HN 1.238 nan 8.190 nan 0.000 0.453 314 G N -0.824 107.979 108.800 0.007 0.000 2.313 314 G HA2 0.080 4.039 3.960 -0.001 0.000 0.215 314 G HA3 0.080 4.039 3.960 -0.001 0.000 0.215 314 G C 1.735 176.658 174.900 0.039 0.000 1.023 314 G CA 0.843 45.953 45.100 0.017 0.000 0.626 314 G HN 2.679 nan 8.290 nan 0.000 0.503 315 G N 0.521 109.369 108.800 0.080 0.000 2.646 315 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.324 315 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.324 315 G C 0.914 175.941 174.900 0.212 0.000 1.195 315 G CA 1.479 46.664 45.100 0.143 0.000 0.976 315 G HN 1.223 nan 8.290 nan 0.000 0.546 316 R N -0.146 120.407 120.500 0.087 0.000 2.323 316 R HA 0.309 4.648 4.340 -0.001 0.000 0.198 316 R C 0.260 176.498 176.300 -0.103 0.000 0.988 316 R CA 0.286 56.322 56.100 -0.107 0.000 1.041 316 R CB 0.092 30.238 30.300 -0.257 0.000 0.926 316 R HN 0.194 nan 8.270 nan 0.000 0.476 317 V N 1.402 121.302 119.914 -0.023 0.000 2.294 317 V HA 0.461 4.581 4.120 -0.001 0.000 0.272 317 V C -0.390 175.760 176.094 0.093 0.000 1.027 317 V CA -0.565 61.698 62.300 -0.062 0.000 0.823 317 V CB 1.179 32.883 31.823 -0.199 0.000 1.030 317 V HN 0.127 nan 8.190 nan 0.000 0.457 318 A N 3.832 126.766 122.820 0.191 0.000 2.359 318 A HA 0.829 5.148 4.320 -0.001 0.000 0.303 318 A C -0.197 177.509 177.584 0.203 0.000 1.066 318 A CA -0.469 51.704 52.037 0.227 0.000 0.730 318 A CB 1.566 20.772 19.000 0.344 0.000 1.211 318 A HN 0.583 nan 8.150 nan 0.000 0.439 319 T N 2.126 116.776 114.554 0.159 0.000 2.807 319 T HA 0.499 4.849 4.350 -0.001 0.000 0.279 319 T C -0.790 173.999 174.700 0.148 0.000 0.993 319 T CA -0.145 62.044 62.100 0.147 0.000 0.970 319 T CB 0.760 69.697 68.868 0.116 0.000 0.950 319 T HN 0.523 nan 8.240 nan 0.000 0.441 320 F N 4.087 124.032 119.950 -0.008 0.000 2.420 320 F HA 0.581 5.107 4.527 -0.001 0.000 0.352 320 F C 0.193 175.978 175.800 -0.024 0.000 1.108 320 F CA -0.790 57.196 58.000 -0.024 0.000 1.162 320 F CB 0.394 39.362 39.000 -0.054 0.000 1.118 320 F HN 0.388 nan 8.300 nan 0.000 0.510 321 R N 5.832 125.936 120.500 -0.659 0.000 2.502 321 R HA 0.418 4.758 4.340 -0.001 0.000 0.300 321 R C -1.409 174.500 176.300 -0.651 0.000 0.984 321 R CA -1.051 54.724 56.100 -0.541 0.000 0.882 321 R CB 2.079 32.242 30.300 -0.228 0.000 1.180 321 R HN 0.634 nan 8.270 nan 0.000 0.444 322 K N 2.137 122.213 120.400 -0.541 0.000 2.588 322 K HA 0.346 4.666 4.320 -0.001 0.000 0.250 322 K C 0.147 176.686 176.600 -0.102 0.000 0.972 322 K CA 0.194 56.307 56.287 -0.290 0.000 0.821 322 K CB 1.580 33.916 32.500 -0.273 0.000 1.249 322 K HN 0.668 nan 8.250 nan 0.000 0.442 323 G N 3.812 112.554 108.800 -0.098 0.000 2.596 323 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.304 323 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.304 323 G C 0.242 175.047 174.900 -0.158 0.000 1.189 323 G CA 0.477 45.505 45.100 -0.120 0.000 0.986 323 G HN 0.705 nan 8.290 nan 0.000 0.548 324 N N 0.449 118.990 118.700 -0.266 0.000 2.280 324 N HA 0.182 4.921 4.740 -0.001 0.000 0.192 324 N C -0.161 175.250 175.510 -0.165 0.000 1.109 324 N CA 0.251 53.176 53.050 -0.207 0.000 0.855 324 N CB 0.238 38.599 38.487 -0.211 0.000 0.974 324 N HN 0.420 nan 8.380 nan 0.000 0.482 325 Y N 0.636 120.917 120.300 -0.032 0.000 2.335 325 Y HA 0.299 4.848 4.550 -0.001 0.000 0.331 325 Y C 0.576 176.399 175.900 -0.127 0.000 1.094 325 Y CA -0.589 57.498 58.100 -0.021 0.000 1.253 325 Y CB 0.934 39.432 38.460 0.063 0.000 1.203 325 Y HN -0.319 nan 8.280 nan 0.000 0.508 326 V N 2.571 122.501 119.914 0.027 0.000 2.623 326 V HA 0.885 5.004 4.120 -0.001 0.000 0.304 326 V C -0.689 175.041 176.094 -0.606 0.000 1.054 326 V CA -0.980 61.212 62.300 -0.179 0.000 0.882 326 V CB 1.609 33.372 31.823 -0.100 0.000 1.002 326 V HN 0.848 nan 8.190 nan 0.000 0.424 327 A N 3.036 125.639 122.820 -0.362 0.000 2.540 327 A HA 0.699 5.018 4.320 -0.001 0.000 0.297 327 A C -1.472 176.089 177.584 -0.038 0.000 1.056 327 A CA -0.642 51.123 52.037 -0.453 0.000 0.700 327 A CB 1.456 20.352 19.000 -0.173 0.000 1.280 327 A HN 0.671 nan 8.150 nan 0.000 0.398 328 D N 2.285 122.736 120.400 0.086 0.000 2.225 328 D HA 0.333 4.972 4.640 -0.001 0.000 0.248 328 D C 0.539 176.930 176.300 0.153 0.000 1.096 328 D CA -0.289 53.812 54.000 0.170 0.000 0.863 328 D CB 1.689 42.628 40.800 0.233 0.000 1.156 328 D HN 0.321 nan 8.370 nan 0.000 0.450 329 L N 1.668 123.014 121.223 0.205 0.000 2.513 329 L HA 0.206 4.546 4.340 -0.001 0.000 0.222 329 L C 1.403 178.553 176.870 0.466 0.000 1.096 329 L CA 0.598 55.598 54.840 0.267 0.000 0.857 329 L CB -0.351 41.838 42.059 0.216 0.000 1.026 329 L HN 0.365 nan 8.230 nan 0.000 0.469 330 G N -0.875 108.134 108.800 0.349 0.000 3.194 330 G HA2 0.523 4.483 3.960 -0.001 0.000 0.160 330 G HA3 0.523 4.483 3.960 -0.001 0.000 0.160 330 G C -0.288 174.637 174.900 0.041 0.000 1.267 330 G CA 0.201 45.381 45.100 0.133 0.000 0.962 330 G HN 0.185 nan 8.290 nan 0.000 0.612 331 A N -0.154 122.642 122.820 -0.040 0.000 2.561 331 A HA 0.448 4.767 4.320 -0.001 0.000 0.234 331 A C 0.912 178.647 177.584 0.251 0.000 1.055 331 A CA 1.337 53.388 52.037 0.024 0.000 0.756 331 A CB -0.171 18.742 19.000 -0.144 0.000 0.986 331 A HN 1.083 nan 8.150 nan 0.000 0.505 332 M N 0.623 120.372 119.600 0.249 0.000 2.075 332 M HA 0.304 4.784 4.480 -0.001 0.000 0.358 332 M C -0.858 175.498 176.300 0.095 0.000 0.855 332 M CA 0.103 55.523 55.300 0.200 0.000 1.148 332 M CB 0.175 32.776 32.600 0.002 0.000 2.163 332 M HN 0.211 nan 8.290 nan 0.000 0.734 333 V N 2.664 122.653 119.914 0.124 0.000 2.472 333 V HA 0.491 4.610 4.120 -0.001 0.000 0.290 333 V C -0.200 175.958 176.094 0.107 0.000 1.037 333 V CA -0.704 61.660 62.300 0.106 0.000 0.908 333 V CB 1.973 33.895 31.823 0.165 0.000 0.985 333 V HN 0.150 nan 8.190 nan 0.000 0.454 334 V N 3.883 123.817 119.914 0.032 0.000 2.398 334 V HA 0.259 4.378 4.120 -0.001 0.000 0.286 334 V C 0.955 177.049 176.094 -0.001 0.000 1.026 334 V CA -0.214 62.109 62.300 0.038 0.000 0.868 334 V CB 1.822 33.622 31.823 -0.040 0.000 0.982 334 V HN 1.034 nan 8.190 nan 0.000 0.443 335 T N 0.705 115.238 114.554 -0.035 0.000 3.535 335 T HA 0.467 4.817 4.350 -0.001 0.000 0.238 335 T C 0.616 175.335 174.700 0.031 0.000 0.909 335 T CA 0.248 62.167 62.100 -0.302 0.000 0.928 335 T CB -0.687 68.032 68.868 -0.249 0.000 1.134 335 T HN 1.723 nan 8.240 nan 0.000 0.627 336 G N 0.744 109.630 108.800 0.143 0.000 3.421 336 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.686 336 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.686 336 G C 0.124 175.080 174.900 0.093 0.000 1.056 336 G CA -0.455 44.775 45.100 0.217 0.000 0.891 336 G HN 0.419 nan 8.290 nan 0.000 0.514 337 L N 1.714 122.957 121.223 0.033 0.000 2.217 337 L HA 0.152 4.492 4.340 -0.001 0.000 0.211 337 L C 2.322 179.124 176.870 -0.115 0.000 1.107 337 L CA 0.969 55.764 54.840 -0.074 0.000 0.783 337 L CB -0.298 41.745 42.059 -0.028 0.000 0.919 337 L HN 0.790 nan 8.230 nan 0.000 0.442 338 G N 0.041 108.863 108.800 0.038 0.000 2.363 338 G HA2 0.317 4.277 3.960 -0.001 0.000 0.285 338 G HA3 0.317 4.277 3.960 -0.001 0.000 0.285 338 G C 1.071 175.942 174.900 -0.048 0.000 1.084 338 G CA 0.456 45.649 45.100 0.155 0.000 1.216 338 G HN 0.481 nan 8.290 nan 0.000 0.429 339 G N 2.109 110.744 108.800 -0.275 0.000 2.176 339 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.232 339 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.232 339 G C 0.516 174.819 174.900 -0.995 0.000 0.986 339 G CA 0.097 44.897 45.100 -0.501 0.000 0.643 339 G HN 0.894 nan 8.290 nan 0.000 0.522 340 N N 1.496 119.450 118.700 -1.243 0.000 2.430 340 N HA 0.355 5.094 4.740 -0.001 0.000 0.265 340 N C -0.537 174.645 175.510 -0.546 0.000 1.100 340 N CA -1.628 50.548 53.050 -1.457 0.000 0.961 340 N CB 1.811 39.672 38.487 -1.043 0.000 1.075 340 N HN 0.107 nan 8.380 nan 0.000 0.478 341 P HA -0.100 nan 4.420 nan 0.000 0.222 341 P C 1.240 178.602 177.300 0.103 0.000 1.147 341 P CA 0.810 63.898 63.100 -0.020 0.000 0.790 341 P CB 0.296 31.949 31.700 -0.078 0.000 0.780 342 M N -0.404 119.206 119.600 0.017 0.000 2.460 342 M HA -0.005 4.474 4.480 -0.001 0.000 0.263 342 M C 2.117 178.433 176.300 0.026 0.000 1.071 342 M CA 0.735 56.084 55.300 0.082 0.000 1.096 342 M CB -1.813 30.858 32.600 0.118 0.000 1.408 342 M HN -0.066 nan 8.290 nan 0.000 0.463 343 A N -0.160 122.636 122.820 -0.040 0.000 1.930 343 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 343 A C 2.437 179.998 177.584 -0.039 0.000 1.175 343 A CA 1.473 53.478 52.037 -0.052 0.000 0.627 343 A CB -0.675 18.272 19.000 -0.088 0.000 0.815 343 A HN 0.294 nan 8.150 nan 0.000 0.443 344 V N -0.601 119.312 119.914 -0.002 0.000 2.323 344 V HA -0.171 3.948 4.120 -0.001 0.000 0.244 344 V C 2.529 178.586 176.094 -0.063 0.000 1.041 344 V CA 1.781 64.041 62.300 -0.067 0.000 1.025 344 V CB -0.740 31.061 31.823 -0.036 0.000 0.656 344 V HN 0.340 nan 8.190 nan 0.000 0.451 345 V N -0.009 119.930 119.914 0.042 0.000 2.490 345 V HA -0.254 3.865 4.120 -0.001 0.000 0.250 345 V C 2.694 178.807 176.094 0.032 0.000 1.061 345 V CA 2.255 64.591 62.300 0.060 0.000 1.064 345 V CB -0.711 31.201 31.823 0.148 0.000 0.670 345 V HN 0.622 nan 8.190 nan 0.000 0.461 346 S N -0.312 115.400 115.700 0.019 0.000 2.359 346 S HA -0.256 4.214 4.470 -0.001 0.000 0.224 346 S C 2.089 176.676 174.600 -0.022 0.000 1.035 346 S CA 1.829 60.029 58.200 -0.001 0.000 1.018 346 S CB -0.199 62.990 63.200 -0.018 0.000 0.876 346 S HN 0.635 nan 8.310 nan 0.000 0.448 347 K N 0.341 120.711 120.400 -0.050 0.000 2.097 347 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 347 K C 2.563 179.123 176.600 -0.065 0.000 1.050 347 K CA 1.518 57.762 56.287 -0.071 0.000 0.938 347 K CB -0.210 32.220 32.500 -0.117 0.000 0.718 347 K HN 0.541 nan 8.250 nan 0.000 0.442 348 Q N 0.256 120.018 119.800 -0.064 0.000 2.119 348 Q HA -0.110 4.229 4.340 -0.001 0.000 0.201 348 Q C 1.982 177.974 176.000 -0.013 0.000 0.972 348 Q CA 1.609 57.387 55.803 -0.041 0.000 0.847 348 Q CB 0.040 28.764 28.738 -0.022 0.000 0.903 348 Q HN 0.291 nan 8.270 nan 0.000 0.433 349 V N -2.684 117.230 119.914 0.001 0.000 3.621 349 V HA 0.185 4.305 4.120 -0.001 0.000 0.285 349 V C -0.094 176.005 176.094 0.008 0.000 1.346 349 V CA 0.089 62.397 62.300 0.012 0.000 1.104 349 V CB -0.668 31.175 31.823 0.034 0.000 0.913 349 V HN 0.424 nan 8.190 nan 0.000 0.432 350 N N 1.564 120.262 118.700 -0.003 0.000 2.740 350 N HA -0.187 4.552 4.740 -0.001 0.000 0.248 350 N C 0.157 175.669 175.510 0.004 0.000 1.062 350 N CA 0.761 53.808 53.050 -0.004 0.000 0.704 350 N CB -0.827 37.658 38.487 -0.003 0.000 0.968 350 N HN 0.901 nan 8.380 nan 0.000 0.547 351 M N -0.391 119.211 119.600 0.004 0.000 2.146 351 M HA 0.283 4.762 4.480 -0.001 0.000 0.357 351 M C 0.142 176.437 176.300 -0.007 0.000 1.261 351 M CA -0.088 55.215 55.300 0.005 0.000 1.106 351 M CB 1.171 33.773 32.600 0.004 0.000 1.612 351 M HN 0.040 nan 8.290 nan 0.000 0.470 352 E N 4.942 125.144 120.200 0.004 0.000 2.217 352 E HA 0.351 4.701 4.350 -0.001 0.000 0.279 352 E C -1.613 174.984 176.600 -0.006 0.000 1.068 352 E CA -0.332 56.072 56.400 0.006 0.000 0.882 352 E CB 0.704 30.418 29.700 0.025 0.000 1.039 352 E HN 0.804 nan 8.360 nan 0.000 0.418 353 L N 3.235 124.452 121.223 -0.011 0.000 2.334 353 L HA 0.708 5.047 4.340 -0.001 0.000 0.276 353 L C -0.377 176.499 176.870 0.009 0.000 1.014 353 L CA -0.960 53.870 54.840 -0.016 0.000 0.815 353 L CB 1.885 43.928 42.059 -0.026 0.000 1.268 353 L HN 0.545 nan 8.230 nan 0.000 0.428 354 A N 2.735 125.566 122.820 0.019 0.000 2.356 354 A HA 0.565 4.884 4.320 -0.001 0.000 0.310 354 A C -0.720 176.899 177.584 0.059 0.000 1.075 354 A CA -0.778 51.280 52.037 0.036 0.000 0.746 354 A CB 1.040 20.059 19.000 0.033 0.000 1.221 354 A HN 0.687 nan 8.150 nan 0.000 0.443 355 K N 1.675 122.114 120.400 0.064 0.000 2.355 355 K HA 0.265 4.584 4.320 -0.001 0.000 0.270 355 K C -0.597 176.062 176.600 0.097 0.000 1.003 355 K CA 0.272 56.611 56.287 0.087 0.000 0.957 355 K CB 0.703 33.248 32.500 0.074 0.000 0.939 355 K HN 0.608 nan 8.250 nan 0.000 0.482 356 I N 3.411 124.058 120.570 0.128 0.000 2.396 356 I HA 0.032 4.201 4.170 -0.001 0.000 0.289 356 I C 0.343 176.509 176.117 0.082 0.000 1.056 356 I CA -0.231 61.144 61.300 0.125 0.000 1.365 356 I CB 0.521 38.629 38.000 0.179 0.000 1.407 356 I HN 0.321 nan 8.210 nan 0.000 0.509 357 K N 5.781 126.218 120.400 0.062 0.000 2.350 357 K HA 0.070 4.389 4.320 -0.001 0.000 0.279 357 K C 0.821 177.441 176.600 0.034 0.000 1.027 357 K CA -0.202 56.114 56.287 0.048 0.000 0.969 357 K CB 0.820 33.349 32.500 0.049 0.000 0.954 357 K HN 0.558 nan 8.250 nan 0.000 0.474 358 Q N 1.746 121.566 119.800 0.034 0.000 2.119 358 Q HA -0.147 4.192 4.340 -0.001 0.000 0.201 358 Q C 0.255 176.267 176.000 0.020 0.000 0.972 358 Q CA 1.078 56.898 55.803 0.029 0.000 0.847 358 Q CB 0.012 28.770 28.738 0.033 0.000 0.903 358 Q HN 0.396 nan 8.270 nan 0.000 0.433 359 K N 1.296 121.707 120.400 0.018 0.000 2.405 359 K HA -0.064 4.255 4.320 -0.001 0.000 0.276 359 K C -1.225 175.378 176.600 0.006 0.000 1.099 359 K CA 0.074 56.366 56.287 0.009 0.000 1.120 359 K CB 0.186 32.695 32.500 0.016 0.000 0.877 359 K HN 0.146 nan 8.250 nan 0.000 0.472 360 C N 9.159 128.446 119.300 -0.021 0.000 2.647 360 C HA 0.453 4.913 4.460 -0.001 0.000 0.273 360 C C -2.462 172.463 174.990 -0.110 0.000 1.088 360 C CA -2.316 56.682 59.018 -0.034 0.000 1.529 360 C CB 0.006 27.723 27.740 -0.039 0.000 1.810 360 C HN 0.738 nan 8.230 nan 0.000 0.422 361 P HA 0.253 nan 4.420 nan 0.000 0.271 361 P C -0.882 176.209 177.300 -0.349 0.000 1.216 361 P CA 0.011 62.973 63.100 -0.229 0.000 0.776 361 P CB 0.946 32.536 31.700 -0.183 0.000 0.881 362 L N 3.984 124.860 121.223 -0.579 0.000 2.325 362 L HA 0.432 4.771 4.340 -0.001 0.000 0.278 362 L C -0.286 176.166 176.870 -0.697 0.000 1.023 362 L CA -0.560 53.922 54.840 -0.596 0.000 0.811 362 L CB 0.709 42.350 42.059 -0.697 0.000 1.249 362 L HN 0.305 nan 8.230 nan 0.000 0.431 363 Y N 0.713 120.920 120.300 -0.155 0.000 2.425 363 Y HA 0.455 5.004 4.550 -0.001 0.000 0.344 363 Y C 0.336 176.195 175.900 -0.068 0.000 0.969 363 Y CA -0.911 57.130 58.100 -0.098 0.000 1.052 363 Y CB 1.504 39.919 38.460 -0.074 0.000 1.215 363 Y HN 0.557 nan 8.280 nan 0.000 0.451 364 E N 0.916 121.148 120.200 0.054 0.000 2.376 364 E HA 0.310 4.659 4.350 -0.001 0.000 0.254 364 E C 0.653 177.307 176.600 0.091 0.000 1.213 364 E CA 0.141 56.553 56.400 0.021 0.000 0.945 364 E CB 0.735 30.433 29.700 -0.002 0.000 1.057 364 E HN 0.833 nan 8.360 nan 0.000 0.479 365 A N 1.783 124.643 122.820 0.066 0.000 2.076 365 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 365 A C 1.568 179.236 177.584 0.140 0.000 1.160 365 A CA 1.976 54.107 52.037 0.157 0.000 0.653 365 A CB -0.761 18.307 19.000 0.115 0.000 0.801 365 A HN 0.647 nan 8.150 nan 0.000 0.455 366 N N -1.564 117.186 118.700 0.084 0.000 2.412 366 N HA 0.238 4.977 4.740 -0.001 0.000 0.184 366 N C 1.079 176.616 175.510 0.046 0.000 1.101 366 N CA 1.280 54.364 53.050 0.056 0.000 0.881 366 N CB -0.320 38.188 38.487 0.034 0.000 0.969 366 N HN 0.773 nan 8.380 nan 0.000 0.459 367 G N -0.216 108.628 108.800 0.074 0.000 2.195 367 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.246 367 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.246 367 G C -0.233 174.718 174.900 0.085 0.000 0.984 367 G CA 0.245 45.366 45.100 0.036 0.000 0.633 367 G HN 0.769 nan 8.290 nan 0.000 0.525 368 Q N 0.517 120.367 119.800 0.082 0.000 2.293 368 Q HA 0.765 5.104 4.340 -0.001 0.000 0.251 368 Q C 0.401 176.439 176.000 0.063 0.000 0.930 368 Q CA -0.166 55.682 55.803 0.076 0.000 0.893 368 Q CB 1.532 30.279 28.738 0.016 0.000 1.215 368 Q HN 1.139 nan 8.270 nan 0.000 0.425 369 A N 2.848 125.669 122.820 0.002 0.000 2.445 369 A HA 0.318 4.637 4.320 -0.001 0.000 0.242 369 A C -0.090 177.344 177.584 -0.250 0.000 1.075 369 A CA -0.603 51.241 52.037 -0.322 0.000 0.777 369 A CB 0.463 19.260 19.000 -0.338 0.000 1.013 369 A HN 0.628 nan 8.150 nan 0.000 0.493 370 V N 4.606 124.321 119.914 -0.331 0.000 2.461 370 V HA 0.224 4.344 4.120 -0.001 0.000 0.275 370 V C -1.908 174.067 176.094 -0.198 0.000 1.047 370 V CA -1.061 61.103 62.300 -0.226 0.000 0.955 370 V CB 0.772 32.449 31.823 -0.244 0.000 0.988 370 V HN 0.817 nan 8.190 nan 0.000 0.471 371 P HA 0.051 nan 4.420 nan 0.000 0.266 371 P C 0.895 178.133 177.300 -0.102 0.000 1.195 371 P CA -0.143 62.894 63.100 -0.106 0.000 0.768 371 P CB 0.547 32.201 31.700 -0.077 0.000 0.838 372 K N 2.941 123.287 120.400 -0.089 0.000 2.089 372 K HA -0.277 4.042 4.320 -0.001 0.000 0.210 372 K C 1.368 177.932 176.600 -0.060 0.000 1.048 372 K CA 1.808 58.050 56.287 -0.075 0.000 0.926 372 K CB -0.038 32.428 32.500 -0.057 0.000 0.714 372 K HN 0.442 nan 8.250 nan 0.000 0.448 373 E N 0.406 120.574 120.200 -0.053 0.000 2.012 373 E HA -0.209 4.140 4.350 -0.001 0.000 0.197 373 E C 2.186 178.758 176.600 -0.048 0.000 1.007 373 E CA 1.513 57.887 56.400 -0.044 0.000 0.816 373 E CB -0.028 29.648 29.700 -0.040 0.000 0.762 373 E HN 0.293 nan 8.360 nan 0.000 0.451 374 K N 0.547 120.913 120.400 -0.058 0.000 2.063 374 K HA -0.190 4.129 4.320 -0.001 0.000 0.208 374 K C 2.025 178.590 176.600 -0.058 0.000 1.048 374 K CA 1.311 57.562 56.287 -0.060 0.000 0.928 374 K CB -0.112 32.347 32.500 -0.068 0.000 0.713 374 K HN 0.083 nan 8.250 nan 0.000 0.442 375 D N 1.185 121.543 120.400 -0.071 0.000 2.106 375 D HA -0.202 4.438 4.640 -0.001 0.000 0.191 375 D C 1.516 177.804 176.300 -0.019 0.000 0.997 375 D CA 1.578 55.543 54.000 -0.060 0.000 0.834 375 D CB 0.105 40.845 40.800 -0.101 0.000 0.956 375 D HN 0.281 nan 8.370 nan 0.000 0.448 376 E N -0.289 119.895 120.200 -0.028 0.000 2.106 376 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 376 E C 2.137 178.723 176.600 -0.023 0.000 0.984 376 E CA 0.410 56.801 56.400 -0.015 0.000 0.806 376 E CB -0.161 29.530 29.700 -0.015 0.000 0.750 376 E HN 0.317 nan 8.360 nan 0.000 0.458 377 M N 1.259 120.840 119.600 -0.032 0.000 2.067 377 M HA -0.152 4.327 4.480 -0.001 0.000 0.260 377 M C 2.289 178.558 176.300 -0.051 0.000 1.069 377 M CA 1.551 56.828 55.300 -0.037 0.000 1.117 377 M CB -0.263 32.310 32.600 -0.044 0.000 1.334 377 M HN 0.024 nan 8.290 nan 0.000 0.407 378 V N 0.580 120.457 119.914 -0.062 0.000 2.407 378 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 378 V C 2.336 178.335 176.094 -0.160 0.000 1.055 378 V CA 2.178 64.426 62.300 -0.087 0.000 1.049 378 V CB -1.001 30.794 31.823 -0.047 0.000 0.662 378 V HN 0.565 nan 8.190 nan 0.000 0.455 379 E N -0.218 119.868 120.200 -0.190 0.000 2.153 379 E HA -0.295 4.054 4.350 -0.001 0.000 0.194 379 E C 2.289 178.845 176.600 -0.073 0.000 0.988 379 E CA 1.367 57.572 56.400 -0.325 0.000 0.811 379 E CB -0.026 29.609 29.700 -0.108 0.000 0.746 379 E HN 0.708 nan 8.360 nan 0.000 0.466 380 Q N 0.077 119.858 119.800 -0.033 0.000 2.079 380 Q HA -0.189 4.150 4.340 -0.001 0.000 0.200 380 Q C 1.896 177.904 176.000 0.013 0.000 0.974 380 Q CA 1.180 56.985 55.803 0.003 0.000 0.840 380 Q CB 0.161 28.899 28.738 0.000 0.000 0.898 380 Q HN 0.148 nan 8.270 nan 0.000 0.430 381 E N 0.148 120.352 120.200 0.007 0.000 2.072 381 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 381 E C 1.653 178.291 176.600 0.063 0.000 0.985 381 E CA 0.801 57.228 56.400 0.045 0.000 0.801 381 E CB -0.456 29.254 29.700 0.016 0.000 0.750 381 E HN 0.388 nan 8.360 nan 0.000 0.452 382 F N 2.928 122.799 119.950 -0.133 0.000 2.065 382 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 382 F C 1.808 177.605 175.800 -0.006 0.000 1.112 382 F CA 1.674 59.594 58.000 -0.134 0.000 1.212 382 F CB -0.441 38.356 39.000 -0.339 0.000 0.975 382 F HN -0.016 nan 8.300 nan 0.000 0.476 383 N N 0.739 119.371 118.700 -0.113 0.000 2.104 383 N HA -0.184 4.555 4.740 -0.001 0.000 0.190 383 N C 1.978 177.414 175.510 -0.123 0.000 1.024 383 N CA 1.715 54.670 53.050 -0.158 0.000 0.853 383 N CB -0.519 37.976 38.487 0.014 0.000 1.008 383 N HN 0.430 nan 8.380 nan 0.000 0.424 384 R N 0.083 120.552 120.500 -0.051 0.000 2.092 384 R HA -0.008 4.331 4.340 -0.001 0.000 0.231 384 R C 1.886 178.172 176.300 -0.023 0.000 1.119 384 R CA 0.601 56.687 56.100 -0.022 0.000 0.970 384 R CB -0.248 30.059 30.300 0.011 0.000 0.864 384 R HN 0.094 nan 8.270 nan 0.000 0.440 385 L N 0.800 122.011 121.223 -0.019 0.000 2.046 385 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 385 L C 2.204 179.056 176.870 -0.029 0.000 1.077 385 L CA 1.540 56.392 54.840 0.021 0.000 0.747 385 L CB -0.830 41.301 42.059 0.121 0.000 0.896 385 L HN 0.209 nan 8.230 nan 0.000 0.432 386 L N -0.967 120.165 121.223 -0.152 0.000 2.056 386 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 386 L C 2.633 179.511 176.870 0.014 0.000 1.078 386 L CA 1.088 55.862 54.840 -0.110 0.000 0.749 386 L CB -0.350 41.562 42.059 -0.246 0.000 0.901 386 L HN 0.341 nan 8.230 nan 0.000 0.433 387 E N 0.412 120.612 120.200 -0.001 0.000 2.118 387 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 387 E C 2.067 178.713 176.600 0.077 0.000 0.992 387 E CA 1.460 57.888 56.400 0.047 0.000 0.804 387 E CB 0.092 29.802 29.700 0.017 0.000 0.741 387 E HN 0.466 nan 8.360 nan 0.000 0.458 388 A N 0.541 123.390 122.820 0.048 0.000 1.902 388 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 388 A C 2.438 180.097 177.584 0.124 0.000 1.181 388 A CA 2.726 54.808 52.037 0.075 0.000 0.623 388 A CB -1.168 17.850 19.000 0.029 0.000 0.818 388 A HN 0.492 nan 8.150 nan 0.000 0.443 389 T N -2.930 111.679 114.554 0.092 0.000 2.833 389 T HA -0.139 4.210 4.350 -0.001 0.000 0.269 389 T C 2.040 176.786 174.700 0.077 0.000 1.054 389 T CA 1.852 64.007 62.100 0.092 0.000 1.135 389 T CB -0.587 68.319 68.868 0.062 0.000 0.869 389 T HN 0.351 nan 8.240 nan 0.000 0.466 390 S N 0.038 115.805 115.700 0.112 0.000 2.368 390 S HA -0.099 4.370 4.470 -0.001 0.000 0.224 390 S C 1.787 176.436 174.600 0.083 0.000 1.029 390 S CA 0.799 59.057 58.200 0.096 0.000 0.988 390 S CB -0.696 62.619 63.200 0.191 0.000 0.838 390 S HN 0.639 nan 8.310 nan 0.000 0.462 391 Y N 1.436 121.751 120.300 0.025 0.000 2.114 391 Y HA -0.037 4.512 4.550 -0.001 0.000 0.284 391 Y C 1.942 177.850 175.900 0.014 0.000 1.143 391 Y CA 1.467 59.583 58.100 0.026 0.000 1.135 391 Y CB -0.684 37.784 38.460 0.014 0.000 0.980 391 Y HN 0.237 nan 8.280 nan 0.000 0.499 392 L N -0.495 120.773 121.223 0.074 0.000 2.043 392 L HA -0.238 4.101 4.340 -0.001 0.000 0.212 392 L C 2.845 179.706 176.870 -0.014 0.000 1.075 392 L CA 2.246 57.110 54.840 0.040 0.000 0.752 392 L CB -1.317 40.859 42.059 0.195 0.000 0.891 392 L HN 0.359 nan 8.230 nan 0.000 0.432 393 S N -1.674 113.954 115.700 -0.120 0.000 2.348 393 S HA -0.078 4.391 4.470 -0.001 0.000 0.219 393 S C 1.231 175.638 174.600 -0.321 0.000 1.033 393 S CA 0.358 58.383 58.200 -0.292 0.000 0.974 393 S CB -0.210 62.667 63.200 -0.539 0.000 0.868 393 S HN 0.529 nan 8.310 nan 0.000 0.459 394 H N 0.661 119.693 119.070 -0.064 0.000 2.579 394 H HA 0.492 5.047 4.556 -0.001 0.000 0.289 394 H C 0.619 175.867 175.328 -0.133 0.000 1.270 394 H CA 0.067 56.067 56.048 -0.080 0.000 1.060 394 H CB 0.623 30.355 29.762 -0.050 0.000 1.554 394 H HN 0.428 nan 8.280 nan 0.000 0.515 395 Q N -0.264 119.449 119.800 -0.144 0.000 2.200 395 Q HA 0.149 4.488 4.340 -0.001 0.000 0.162 395 Q C 0.500 176.346 176.000 -0.256 0.000 0.680 395 Q CA 0.084 55.726 55.803 -0.268 0.000 0.892 395 Q CB 0.199 28.546 28.738 -0.653 0.000 1.178 395 Q HN 0.313 nan 8.270 nan 0.000 0.347 396 L N 1.503 122.548 121.223 -0.296 0.000 2.653 396 L HA 0.320 4.660 4.340 -0.001 0.000 0.231 396 L C -0.197 176.647 176.870 -0.043 0.000 1.153 396 L CA 0.322 55.066 54.840 -0.160 0.000 0.933 396 L CB 0.056 42.016 42.059 -0.165 0.000 1.175 396 L HN 0.367 nan 8.230 nan 0.000 0.473 397 D N 1.235 121.609 120.400 -0.043 0.000 2.706 397 D HA -0.302 4.337 4.640 -0.001 0.000 0.230 397 D C 0.033 176.371 176.300 0.063 0.000 1.184 397 D CA 0.429 54.428 54.000 -0.002 0.000 0.628 397 D CB -0.869 39.932 40.800 0.001 0.000 1.019 397 D HN 0.268 nan 8.370 nan 0.000 0.415 398 F N 0.857 120.750 119.950 -0.096 0.000 2.573 398 F HA 0.374 4.900 4.527 -0.001 0.000 0.349 398 F C 0.617 176.374 175.800 -0.072 0.000 1.213 398 F CA -0.620 57.336 58.000 -0.073 0.000 1.300 398 F CB -0.264 38.694 39.000 -0.071 0.000 1.661 398 F HN 0.001 nan 8.300 nan 0.000 0.616 399 N N 1.894 120.449 118.700 -0.240 0.000 2.197 399 N HA 0.134 4.873 4.740 -0.001 0.000 0.201 399 N C -0.688 174.661 175.510 -0.268 0.000 1.148 399 N CA 0.340 53.207 53.050 -0.306 0.000 0.883 399 N CB 1.545 39.931 38.487 -0.169 0.000 1.012 399 N HN 0.206 nan 8.380 nan 0.000 0.507 400 V N 1.684 121.476 119.914 -0.202 0.000 2.789 400 V HA 0.526 4.645 4.120 -0.001 0.000 0.311 400 V C -1.114 174.936 176.094 -0.073 0.000 1.073 400 V CA -0.853 61.376 62.300 -0.118 0.000 0.921 400 V CB 2.814 34.610 31.823 -0.044 0.000 1.009 400 V HN -0.071 nan 8.190 nan 0.000 0.426 401 L N 4.214 125.406 121.223 -0.052 0.000 2.516 401 L HA 0.628 4.967 4.340 -0.001 0.000 0.267 401 L C -0.154 176.722 176.870 0.011 0.000 0.957 401 L CA 0.120 54.970 54.840 0.016 0.000 0.860 401 L CB 1.702 43.787 42.059 0.044 0.000 1.265 401 L HN 0.675 nan 8.230 nan 0.000 0.403 402 N N 3.859 122.573 118.700 0.024 0.000 2.735 402 N HA -0.231 4.509 4.740 -0.001 0.000 0.248 402 N C 0.267 175.782 175.510 0.007 0.000 1.083 402 N CA 1.103 54.163 53.050 0.016 0.000 0.703 402 N CB -1.177 37.319 38.487 0.016 0.000 1.005 402 N HN 0.781 nan 8.380 nan 0.000 0.550 403 N N -2.810 115.893 118.700 0.005 0.000 2.900 403 N HA -0.221 4.518 4.740 -0.001 0.000 0.240 403 N C -0.780 174.727 175.510 -0.005 0.000 0.953 403 N CA 1.668 54.719 53.050 0.001 0.000 0.950 403 N CB -0.625 37.864 38.487 0.004 0.000 1.102 403 N HN 0.621 nan 8.380 nan 0.000 0.593 404 K N 0.999 121.392 120.400 -0.012 0.000 2.138 404 K HA 0.475 4.794 4.320 -0.001 0.000 0.263 404 K C -2.544 174.033 176.600 -0.038 0.000 0.965 404 K CA -1.568 54.708 56.287 -0.017 0.000 0.868 404 K CB 1.219 33.710 32.500 -0.015 0.000 1.083 404 K HN -0.133 nan 8.250 nan 0.000 0.443 405 P HA 0.024 nan 4.420 nan 0.000 0.271 405 P C -0.678 176.567 177.300 -0.092 0.000 1.216 405 P CA -0.418 62.650 63.100 -0.054 0.000 0.776 405 P CB 0.609 32.302 31.700 -0.011 0.000 0.881 406 V N 2.798 122.609 119.914 -0.171 0.000 2.583 406 V HA 0.223 4.342 4.120 -0.001 0.000 0.287 406 V C 0.798 176.800 176.094 -0.152 0.000 1.051 406 V CA -0.007 62.157 62.300 -0.226 0.000 1.010 406 V CB 0.878 32.407 31.823 -0.489 0.000 0.988 406 V HN 0.690 nan 8.190 nan 0.000 0.478 407 S N 4.437 120.066 115.700 -0.119 0.000 2.672 407 S HA 0.410 4.879 4.470 -0.001 0.000 0.276 407 S C 0.713 175.236 174.600 -0.129 0.000 1.207 407 S CA -0.618 57.527 58.200 -0.091 0.000 1.002 407 S CB 1.458 64.610 63.200 -0.080 0.000 0.998 407 S HN 0.545 nan 8.310 nan 0.000 0.542 408 L N 2.361 123.489 121.223 -0.157 0.000 2.046 408 L HA 0.153 4.492 4.340 -0.001 0.000 0.208 408 L C 2.297 179.020 176.870 -0.245 0.000 1.077 408 L CA 2.479 57.176 54.840 -0.238 0.000 0.747 408 L CB -1.505 40.271 42.059 -0.472 0.000 0.896 408 L HN 0.984 nan 8.230 nan 0.000 0.432 409 G N -1.433 107.218 108.800 -0.248 0.000 2.440 409 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 409 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 409 G C 1.507 176.300 174.900 -0.179 0.000 1.154 409 G CA 0.801 45.746 45.100 -0.259 0.000 0.767 409 G HN 0.524 nan 8.290 nan 0.000 0.552 410 Q N -0.041 119.685 119.800 -0.123 0.000 2.002 410 Q HA -0.101 4.238 4.340 -0.001 0.000 0.204 410 Q C 2.983 178.971 176.000 -0.019 0.000 0.988 410 Q CA 1.638 57.402 55.803 -0.065 0.000 0.843 410 Q CB -0.326 28.373 28.738 -0.064 0.000 0.908 410 Q HN 0.430 nan 8.270 nan 0.000 0.420 411 A N 0.584 123.391 122.820 -0.022 0.000 1.908 411 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 411 A C 2.051 179.656 177.584 0.035 0.000 1.181 411 A CA 1.334 53.416 52.037 0.075 0.000 0.627 411 A CB -0.809 18.217 19.000 0.043 0.000 0.818 411 A HN 0.432 nan 8.150 nan 0.000 0.445 412 L N -0.607 120.583 121.223 -0.056 0.000 2.046 412 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 412 L C 2.589 179.448 176.870 -0.018 0.000 1.077 412 L CA 1.360 56.161 54.840 -0.066 0.000 0.747 412 L CB -0.551 41.358 42.059 -0.249 0.000 0.896 412 L HN 0.340 nan 8.230 nan 0.000 0.432 413 E N -0.321 119.854 120.200 -0.042 0.000 2.204 413 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 413 E C 2.334 178.948 176.600 0.024 0.000 0.989 413 E CA 0.868 57.268 56.400 0.000 0.000 0.824 413 E CB -0.290 29.399 29.700 -0.017 0.000 0.756 413 E HN 0.315 nan 8.360 nan 0.000 0.477 414 V N 0.757 120.689 119.914 0.031 0.000 2.379 414 V HA -0.163 3.956 4.120 -0.001 0.000 0.245 414 V C 2.456 178.549 176.094 -0.001 0.000 1.044 414 V CA 1.037 63.353 62.300 0.027 0.000 1.036 414 V CB -0.313 31.551 31.823 0.068 0.000 0.664 414 V HN 0.064 nan 8.190 nan 0.000 0.453 415 V N -0.073 119.849 119.914 0.013 0.000 2.515 415 V HA -0.194 3.925 4.120 -0.001 0.000 0.250 415 V C 2.284 178.353 176.094 -0.041 0.000 1.058 415 V CA 1.398 63.691 62.300 -0.012 0.000 1.064 415 V CB -0.447 31.387 31.823 0.019 0.000 0.675 415 V HN 0.387 nan 8.190 nan 0.000 0.461 416 I N -0.214 120.365 120.570 0.014 0.000 2.252 416 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 416 I C 2.552 178.638 176.117 -0.052 0.000 1.102 416 I CA 1.521 62.838 61.300 0.028 0.000 1.385 416 I CB -1.166 36.934 38.000 0.166 0.000 1.064 416 I HN 0.416 nan 8.210 nan 0.000 0.414 417 Q N 0.397 120.187 119.800 -0.017 0.000 2.096 417 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 417 Q C 2.449 178.411 176.000 -0.063 0.000 0.982 417 Q CA 1.343 57.133 55.803 -0.022 0.000 0.850 417 Q CB -0.099 28.634 28.738 -0.008 0.000 0.901 417 Q HN 0.482 nan 8.270 nan 0.000 0.422 418 L N 0.380 121.553 121.223 -0.084 0.000 2.083 418 L HA -0.232 4.107 4.340 -0.001 0.000 0.209 418 L C 2.543 179.333 176.870 -0.134 0.000 1.083 418 L CA 0.867 55.651 54.840 -0.094 0.000 0.752 418 L CB -0.438 41.562 42.059 -0.099 0.000 0.899 418 L HN 0.265 nan 8.230 nan 0.000 0.433 419 Q N 0.167 119.806 119.800 -0.268 0.000 2.124 419 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 419 Q C 2.061 177.869 176.000 -0.319 0.000 0.977 419 Q CA 1.491 57.014 55.803 -0.467 0.000 0.850 419 Q CB -0.153 27.847 28.738 -1.231 0.000 0.901 419 Q HN 0.598 nan 8.270 nan 0.000 0.429 420 E N 0.349 120.419 120.200 -0.216 0.000 2.106 420 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 420 E C 1.929 178.511 176.600 -0.030 0.000 0.984 420 E CA 0.913 57.286 56.400 -0.045 0.000 0.806 420 E CB 0.055 29.767 29.700 0.022 0.000 0.750 420 E HN 0.019 nan 8.360 nan 0.000 0.458 421 K N 0.673 121.052 120.400 -0.034 0.000 2.026 421 K HA -0.217 4.102 4.320 -0.001 0.000 0.208 421 K C 2.009 178.603 176.600 -0.010 0.000 1.048 421 K CA 1.742 58.019 56.287 -0.017 0.000 0.929 421 K CB -0.441 32.050 32.500 -0.013 0.000 0.713 421 K HN 0.125 nan 8.250 nan 0.000 0.439 422 H N -0.306 118.707 119.070 -0.095 0.000 2.352 422 H HA -0.047 4.508 4.556 -0.001 0.000 0.299 422 H C 1.736 177.014 175.328 -0.083 0.000 1.097 422 H CA 2.062 58.056 56.048 -0.089 0.000 1.311 422 H CB -0.344 29.356 29.762 -0.105 0.000 1.377 422 H HN 0.029 nan 8.280 nan 0.000 0.504 423 V N 0.881 120.695 119.914 -0.167 0.000 2.343 423 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 423 V C 2.583 178.545 176.094 -0.219 0.000 1.051 423 V CA 2.287 64.469 62.300 -0.197 0.000 1.036 423 V CB -0.554 31.250 31.823 -0.032 0.000 0.654 423 V HN 0.490 nan 8.190 nan 0.000 0.451 424 K N -0.295 120.016 120.400 -0.148 0.000 2.097 424 K HA -0.220 4.099 4.320 -0.001 0.000 0.206 424 K C 1.743 178.225 176.600 -0.196 0.000 1.049 424 K CA 1.846 58.042 56.287 -0.150 0.000 0.933 424 K CB -0.206 32.258 32.500 -0.061 0.000 0.717 424 K HN 0.443 nan 8.250 nan 0.000 0.442 425 D N 1.063 121.357 120.400 -0.177 0.000 2.144 425 D HA -0.127 4.513 4.640 -0.001 0.000 0.200 425 D C 1.608 177.780 176.300 -0.213 0.000 0.978 425 D CA 1.052 54.959 54.000 -0.155 0.000 0.833 425 D CB 0.005 40.745 40.800 -0.099 0.000 0.961 425 D HN 0.387 nan 8.370 nan 0.000 0.470 426 E N 0.350 120.362 120.200 -0.313 0.000 2.274 426 E HA -0.137 4.212 4.350 -0.001 0.000 0.194 426 E C 1.944 178.361 176.600 -0.306 0.000 0.996 426 E CA 0.253 56.479 56.400 -0.291 0.000 0.840 426 E CB 0.069 29.550 29.700 -0.366 0.000 0.772 426 E HN 0.375 nan 8.360 nan 0.000 0.491 427 Q N 0.636 120.180 119.800 -0.426 0.000 2.049 427 Q HA -0.135 4.205 4.340 -0.001 0.000 0.198 427 Q C 2.212 177.685 176.000 -0.877 0.000 0.971 427 Q CA 0.815 56.182 55.803 -0.727 0.000 0.833 427 Q CB 0.190 28.432 28.738 -0.826 0.000 0.896 427 Q HN 0.144 nan 8.270 nan 0.000 0.434 428 I N 1.541 121.797 120.570 -0.523 0.000 2.127 428 I HA -0.284 3.885 4.170 -0.001 0.000 0.241 428 I C 2.091 178.177 176.117 -0.051 0.000 1.075 428 I CA 1.728 62.926 61.300 -0.171 0.000 1.334 428 I CB -1.284 36.697 38.000 -0.031 0.000 1.040 428 I HN 0.377 nan 8.210 nan 0.000 0.405 429 E N -0.600 119.552 120.200 -0.080 0.000 2.118 429 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 429 E C 2.201 178.799 176.600 -0.004 0.000 0.992 429 E CA 1.091 57.475 56.400 -0.027 0.000 0.804 429 E CB -0.344 29.334 29.700 -0.038 0.000 0.741 429 E HN 0.572 nan 8.360 nan 0.000 0.458 430 H N -0.218 118.763 119.070 -0.148 0.000 2.357 430 H HA -0.130 4.426 4.556 -0.001 0.000 0.301 430 H C 1.698 177.050 175.328 0.040 0.000 1.082 430 H CA 1.283 57.269 56.048 -0.103 0.000 1.342 430 H CB 0.008 29.650 29.762 -0.201 0.000 1.389 430 H HN 0.277 nan 8.280 nan 0.000 0.511 431 W N 1.659 122.992 121.300 0.055 0.000 2.363 431 W HA -0.094 4.565 4.660 -0.001 0.000 0.296 431 W C 2.434 178.920 176.519 -0.055 0.000 1.212 431 W CA 0.565 57.911 57.345 0.002 0.000 1.260 431 W CB -0.478 29.002 29.460 0.034 0.000 1.131 431 W HN 0.249 nan 8.180 nan 0.000 0.530 432 K N 0.302 120.809 120.400 0.178 0.000 2.148 432 K HA -0.138 4.181 4.320 -0.001 0.000 0.204 432 K C 1.937 178.544 176.600 0.012 0.000 1.050 432 K CA 1.175 57.511 56.287 0.082 0.000 0.942 432 K CB -0.204 32.333 32.500 0.062 0.000 0.724 432 K HN 0.075 nan 8.250 nan 0.000 0.446 433 K N 0.495 120.868 120.400 -0.045 0.000 2.097 433 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 433 K C 2.008 178.554 176.600 -0.091 0.000 1.050 433 K CA 0.847 57.081 56.287 -0.088 0.000 0.938 433 K CB 0.011 32.417 32.500 -0.156 0.000 0.718 433 K HN 0.035 nan 8.250 nan 0.000 0.442 434 I N 0.850 121.355 120.570 -0.107 0.000 2.142 434 I HA -0.218 3.951 4.170 -0.001 0.000 0.240 434 I C 2.308 178.414 176.117 -0.019 0.000 1.078 434 I CA 1.317 62.581 61.300 -0.060 0.000 1.343 434 I CB -0.936 37.062 38.000 -0.004 0.000 1.046 434 I HN -0.078 nan 8.210 nan 0.000 0.405 435 V N 1.094 121.010 119.914 0.004 0.000 2.490 435 V HA -0.259 3.860 4.120 -0.001 0.000 0.250 435 V C 2.562 178.651 176.094 -0.008 0.000 1.061 435 V CA 1.691 63.991 62.300 -0.001 0.000 1.064 435 V CB -0.704 31.125 31.823 0.010 0.000 0.670 435 V HN 0.330 nan 8.190 nan 0.000 0.461 436 K N 0.449 120.843 120.400 -0.009 0.000 2.025 436 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 436 K C 2.128 178.718 176.600 -0.017 0.000 1.049 436 K CA 2.117 58.396 56.287 -0.012 0.000 0.933 436 K CB -0.887 31.605 32.500 -0.013 0.000 0.714 436 K HN 0.405 nan 8.250 nan 0.000 0.438 437 T N 1.089 115.629 114.554 -0.023 0.000 2.821 437 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 437 T C 1.626 176.314 174.700 -0.020 0.000 1.046 437 T CA 1.357 63.443 62.100 -0.023 0.000 1.139 437 T CB -0.122 68.729 68.868 -0.028 0.000 0.871 437 T HN 0.371 nan 8.240 nan 0.000 0.454 438 Q N 0.371 120.160 119.800 -0.018 0.000 2.224 438 Q HA -0.063 4.276 4.340 -0.001 0.000 0.203 438 Q C 2.235 178.225 176.000 -0.017 0.000 0.970 438 Q CA 0.990 56.784 55.803 -0.016 0.000 0.865 438 Q CB -0.024 28.705 28.738 -0.016 0.000 0.922 438 Q HN 0.630 nan 8.270 nan 0.000 0.445 439 E N 0.868 121.058 120.200 -0.016 0.000 2.076 439 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 439 E C 1.764 178.353 176.600 -0.017 0.000 0.979 439 E CA 0.595 56.986 56.400 -0.015 0.000 0.807 439 E CB 0.119 29.811 29.700 -0.013 0.000 0.761 439 E HN 0.365 nan 8.360 nan 0.000 0.454 440 E N 0.893 121.082 120.200 -0.018 0.000 2.110 440 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 440 E C 2.178 178.763 176.600 -0.024 0.000 0.988 440 E CA 0.707 57.094 56.400 -0.021 0.000 0.804 440 E CB -0.023 29.664 29.700 -0.021 0.000 0.745 440 E HN 0.232 nan 8.360 nan 0.000 0.458 441 L N 1.003 122.212 121.223 -0.023 0.000 1.988 441 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 441 L C 2.713 179.568 176.870 -0.025 0.000 1.071 441 L CA 1.186 56.011 54.840 -0.025 0.000 0.744 441 L CB -0.393 41.653 42.059 -0.021 0.000 0.893 441 L HN 0.053 nan 8.230 nan 0.000 0.433 442 K N 0.488 120.876 120.400 -0.020 0.000 2.059 442 K HA -0.266 4.053 4.320 -0.001 0.000 0.212 442 K C 1.887 178.475 176.600 -0.020 0.000 1.050 442 K CA 2.101 58.377 56.287 -0.018 0.000 0.927 442 K CB -0.078 32.413 32.500 -0.016 0.000 0.714 442 K HN 0.378 nan 8.250 nan 0.000 0.447 443 E N 0.633 120.820 120.200 -0.021 0.000 2.110 443 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 443 E C 1.963 178.546 176.600 -0.029 0.000 0.988 443 E CA 0.716 57.103 56.400 -0.022 0.000 0.804 443 E CB -0.059 29.629 29.700 -0.020 0.000 0.745 443 E HN 0.251 nan 8.360 nan 0.000 0.458 444 L N 0.718 121.920 121.223 -0.035 0.000 2.072 444 L HA -0.126 4.213 4.340 -0.001 0.000 0.205 444 L C 2.031 178.865 176.870 -0.059 0.000 1.079 444 L CA 1.345 56.154 54.840 -0.051 0.000 0.752 444 L CB -0.385 41.642 42.059 -0.055 0.000 0.906 444 L HN 0.186 nan 8.230 nan 0.000 0.436 445 L N 0.657 121.853 121.223 -0.046 0.000 2.131 445 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 445 L C 2.511 179.365 176.870 -0.027 0.000 1.092 445 L CA 1.615 56.431 54.840 -0.040 0.000 0.759 445 L CB -1.215 40.830 42.059 -0.023 0.000 0.903 445 L HN 0.445 nan 8.230 nan 0.000 0.435 446 N N 0.910 119.597 118.700 -0.022 0.000 2.188 446 N HA -0.230 4.509 4.740 -0.001 0.000 0.184 446 N C 1.822 177.324 175.510 -0.013 0.000 1.018 446 N CA 1.575 54.617 53.050 -0.013 0.000 0.858 446 N CB 0.174 38.654 38.487 -0.012 0.000 0.989 446 N HN 0.545 nan 8.380 nan 0.000 0.426 447 K N -0.125 120.260 120.400 -0.025 0.000 2.296 447 K HA 0.054 4.373 4.320 -0.001 0.000 0.200 447 K C 2.098 178.683 176.600 -0.025 0.000 1.048 447 K CA 0.726 56.999 56.287 -0.023 0.000 0.966 447 K CB -0.075 32.406 32.500 -0.032 0.000 0.754 447 K HN 0.117 nan 8.250 nan 0.000 0.466 448 M N 0.799 120.369 119.600 -0.051 0.000 2.200 448 M HA -0.074 4.405 4.480 -0.001 0.000 0.265 448 M C 1.968 178.316 176.300 0.080 0.000 1.066 448 M CA 0.954 56.212 55.300 -0.071 0.000 1.127 448 M CB -0.012 32.467 32.600 -0.201 0.000 1.379 448 M HN -0.001 nan 8.290 nan 0.000 0.420 449 V N 1.135 121.080 119.914 0.051 0.000 2.490 449 V HA -0.277 3.842 4.120 -0.001 0.000 0.250 449 V C 1.578 177.705 176.094 0.056 0.000 1.061 449 V CA 1.887 64.226 62.300 0.065 0.000 1.064 449 V CB -0.891 30.952 31.823 0.033 0.000 0.670 449 V HN 0.553 nan 8.190 nan 0.000 0.461 450 N N -0.454 118.268 118.700 0.038 0.000 2.354 450 N HA -0.078 4.661 4.740 -0.001 0.000 0.179 450 N C 1.597 177.129 175.510 0.037 0.000 1.021 450 N CA 0.480 53.545 53.050 0.026 0.000 0.887 450 N CB 0.012 38.507 38.487 0.012 0.000 0.974 450 N HN 0.294 nan 8.380 nan 0.000 0.437 451 L N 1.465 122.731 121.223 0.071 0.000 2.240 451 L HA 0.038 4.377 4.340 -0.001 0.000 0.211 451 L C 1.871 178.801 176.870 0.101 0.000 1.106 451 L CA 1.385 56.284 54.840 0.098 0.000 0.793 451 L CB -0.109 42.044 42.059 0.157 0.000 0.927 451 L HN -0.091 nan 8.230 nan 0.000 0.446 452 K N -0.324 120.150 120.400 0.122 0.000 2.062 452 K HA -0.144 4.175 4.320 -0.001 0.000 0.205 452 K C 1.985 178.572 176.600 -0.021 0.000 1.051 452 K CA 1.037 57.338 56.287 0.023 0.000 0.941 452 K CB -0.042 32.493 32.500 0.058 0.000 0.719 452 K HN 0.227 nan 8.250 nan 0.000 0.440 453 E N 1.516 121.717 120.200 0.002 0.000 2.204 453 E HA -0.142 4.207 4.350 -0.001 0.000 0.194 453 E C 1.773 178.352 176.600 -0.034 0.000 0.989 453 E CA 1.317 57.709 56.400 -0.014 0.000 0.824 453 E CB 0.076 29.775 29.700 -0.001 0.000 0.756 453 E HN 0.154 nan 8.360 nan 0.000 0.477 454 K N -0.440 119.940 120.400 -0.033 0.000 2.243 454 K HA 0.071 4.391 4.320 -0.001 0.000 0.201 454 K C 1.872 178.403 176.600 -0.114 0.000 1.051 454 K CA 0.699 56.954 56.287 -0.053 0.000 0.970 454 K CB 0.037 32.521 32.500 -0.027 0.000 0.755 454 K HN 0.171 nan 8.250 nan 0.000 0.465 455 I N 0.948 121.437 120.570 -0.135 0.000 2.406 455 I HA -0.199 3.970 4.170 -0.001 0.000 0.249 455 I C 1.847 177.808 176.117 -0.259 0.000 1.122 455 I CA 0.972 62.127 61.300 -0.242 0.000 1.431 455 I CB 0.011 37.860 38.000 -0.252 0.000 1.087 455 I HN 0.075 nan 8.210 nan 0.000 0.424 456 K N 0.898 121.212 120.400 -0.143 0.000 2.097 456 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 456 K C 1.813 178.347 176.600 -0.110 0.000 1.049 456 K CA 1.251 57.488 56.287 -0.083 0.000 0.933 456 K CB -0.148 32.326 32.500 -0.043 0.000 0.717 456 K HN 0.324 nan 8.250 nan 0.000 0.442 457 E N 0.658 120.781 120.200 -0.128 0.000 2.267 457 E HA -0.164 4.185 4.350 -0.001 0.000 0.197 457 E C 1.719 178.183 176.600 -0.227 0.000 0.998 457 E CA 0.864 57.193 56.400 -0.118 0.000 0.830 457 E CB 0.004 29.654 29.700 -0.084 0.000 0.751 457 E HN 0.312 nan 8.360 nan 0.000 0.491 458 L N -1.311 119.645 121.223 -0.445 0.000 2.349 458 L HA 0.083 4.422 4.340 -0.001 0.000 0.200 458 L C 1.231 177.736 176.870 -0.608 0.000 1.064 458 L CA 0.257 54.473 54.840 -1.041 0.000 0.821 458 L CB -0.303 40.870 42.059 -1.477 0.000 1.027 458 L HN 0.085 nan 8.230 nan 0.000 0.476 459 H N 2.114 120.974 119.070 -0.350 0.000 3.792 459 H HA 0.171 4.726 4.556 -0.001 0.000 0.216 459 H C -0.367 174.893 175.328 -0.114 0.000 1.525 459 H CA -0.080 55.864 56.048 -0.173 0.000 1.309 459 H CB -0.046 29.636 29.762 -0.134 0.000 1.540 459 H HN 0.224 nan 8.280 nan 0.000 0.711 460 Q N 0.242 120.047 119.800 0.009 0.000 2.852 460 Q HA -0.057 4.283 4.340 -0.001 0.000 0.250 460 Q C -0.175 175.860 176.000 0.057 0.000 0.988 460 Q CA -0.131 55.689 55.803 0.027 0.000 0.905 460 Q CB 1.551 30.291 28.738 0.004 0.000 1.896 460 Q HN 0.624 nan 8.270 nan 0.000 0.464 461 Q N 0.498 120.365 119.800 0.112 0.000 4.017 461 Q HA -0.253 4.086 4.340 -0.001 0.000 0.228 461 Q C -0.742 175.422 176.000 0.272 0.000 2.648 461 Q CA 1.518 57.430 55.803 0.182 0.000 0.295 461 Q CB -1.207 27.667 28.738 0.225 0.000 0.191 461 Q HN 0.624 nan 8.270 nan 0.000 0.523 462 Y N 2.659 122.976 120.300 0.028 0.000 2.781 462 Y HA 0.253 4.802 4.550 -0.001 0.000 0.365 462 Y C 0.708 176.632 175.900 0.039 0.000 1.291 462 Y CA 1.583 59.703 58.100 0.033 0.000 1.772 462 Y CB -0.170 38.315 38.460 0.042 0.000 1.361 462 Y HN 0.322 nan 8.280 nan 0.000 0.484 463 K N 1.599 122.079 120.400 0.132 0.000 3.009 463 K HA 0.039 4.358 4.320 -0.001 0.000 0.119 463 K C -1.100 175.529 176.600 0.049 0.000 1.481 463 K CA 0.029 56.366 56.287 0.083 0.000 0.672 463 K CB -0.324 32.230 32.500 0.090 0.000 1.482 463 K HN 0.632 nan 8.250 nan 0.000 0.380 474 I N -0.105 120.475 120.570 0.017 0.000 4.035 474 I HA 0.356 4.526 4.170 -0.001 0.000 0.321 474 I C 1.535 177.668 176.117 0.026 0.000 1.289 474 I CA 0.700 62.011 61.300 0.017 0.000 1.236 474 I CB -0.137 37.870 38.000 0.012 0.000 1.076 474 I HN -0.113 nan 8.210 nan 0.000 0.418 475 T N 1.172 115.747 114.554 0.035 0.000 3.113 475 T HA 0.252 4.601 4.350 -0.001 0.000 0.256 475 T C 2.062 176.816 174.700 0.090 0.000 1.131 475 T CA 0.825 62.960 62.100 0.059 0.000 1.074 475 T CB -0.192 68.714 68.868 0.064 0.000 0.944 475 T HN 0.489 nan 8.240 nan 0.000 0.516 476 A N 2.075 124.926 122.820 0.051 0.000 2.023 476 A HA -0.283 4.037 4.320 -0.001 0.000 0.223 476 A C 2.118 179.728 177.584 0.044 0.000 1.180 476 A CA 2.014 54.071 52.037 0.032 0.000 0.659 476 A CB -0.691 18.317 19.000 0.013 0.000 0.817 476 A HN 0.619 nan 8.150 nan 0.000 0.466 477 E N -2.381 117.858 120.200 0.065 0.000 2.333 477 E HA -0.208 4.142 4.350 -0.001 0.000 0.200 477 E C 1.255 177.938 176.600 0.138 0.000 1.010 477 E CA 1.285 57.729 56.400 0.073 0.000 0.841 477 E CB -0.139 29.604 29.700 0.071 0.000 0.757 477 E HN 0.715 nan 8.360 nan 0.000 0.508 478 F N -0.801 119.136 119.950 -0.022 0.000 2.740 478 F HA 0.143 4.669 4.527 -0.001 0.000 0.304 478 F C 1.411 177.192 175.800 -0.032 0.000 1.098 478 F CA -0.227 57.760 58.000 -0.022 0.000 1.258 478 F CB 0.285 39.273 39.000 -0.020 0.000 1.061 478 F HN 0.012 nan 8.300 nan 0.000 0.598 479 L N -0.552 120.664 121.223 -0.012 0.000 2.270 479 L HA 0.127 4.466 4.340 -0.001 0.000 0.210 479 L C 1.691 178.472 176.870 -0.148 0.000 1.104 479 L CA 1.242 56.019 54.840 -0.105 0.000 0.804 479 L CB -0.390 41.645 42.059 -0.040 0.000 0.937 479 L HN -0.015 nan 8.230 nan 0.000 0.450 480 V N -0.877 118.982 119.914 -0.092 0.000 2.535 480 V HA -0.105 4.014 4.120 -0.001 0.000 0.246 480 V C 2.572 178.624 176.094 -0.069 0.000 1.045 480 V CA 0.968 63.229 62.300 -0.066 0.000 1.058 480 V CB -0.516 31.280 31.823 -0.043 0.000 0.689 480 V HN 0.290 nan 8.190 nan 0.000 0.461 481 K N 0.489 120.819 120.400 -0.117 0.000 2.032 481 K HA -0.126 4.194 4.320 -0.001 0.000 0.209 481 K C 2.436 178.948 176.600 -0.148 0.000 1.048 481 K CA 1.808 58.023 56.287 -0.119 0.000 0.927 481 K CB -0.641 31.756 32.500 -0.172 0.000 0.712 481 K HN 0.442 nan 8.250 nan 0.000 0.441 482 S N 1.296 116.809 115.700 -0.312 0.000 2.353 482 S HA -0.100 4.370 4.470 -0.001 0.000 0.222 482 S C 1.712 176.199 174.600 -0.188 0.000 1.035 482 S CA 1.216 59.231 58.200 -0.308 0.000 1.025 482 S CB -0.075 62.880 63.200 -0.408 0.000 0.902 482 S HN 0.209 nan 8.310 nan 0.000 0.440 483 K N 0.451 120.710 120.400 -0.236 0.000 2.360 483 K HA -0.052 4.267 4.320 -0.001 0.000 0.201 483 K C 1.766 178.438 176.600 0.119 0.000 1.046 483 K CA 1.067 57.185 56.287 -0.282 0.000 0.945 483 K CB -0.409 31.755 32.500 -0.561 0.000 0.750 483 K HN 0.486 nan 8.250 nan 0.000 0.464 484 H N 1.305 120.365 119.070 -0.016 0.000 2.329 484 H HA 0.042 4.597 4.556 -0.001 0.000 0.306 484 H C 1.823 177.159 175.328 0.013 0.000 1.062 484 H CA 1.614 57.679 56.048 0.028 0.000 1.364 484 H CB 0.215 29.977 29.762 0.001 0.000 1.409 484 H HN 0.155 nan 8.280 nan 0.000 0.519 485 R N 0.048 120.572 120.500 0.040 0.000 2.357 485 R HA -0.026 4.313 4.340 -0.001 0.000 0.202 485 R C 0.462 176.745 176.300 -0.029 0.000 1.047 485 R CA 1.428 57.518 56.100 -0.017 0.000 1.034 485 R CB 0.133 30.425 30.300 -0.012 0.000 0.875 485 R HN 0.279 nan 8.270 nan 0.000 0.473 486 D N 0.883 121.280 120.400 -0.004 0.000 2.369 486 D HA 0.005 4.644 4.640 -0.001 0.000 0.231 486 D C 1.749 178.066 176.300 0.029 0.000 0.967 486 D CA 0.499 54.519 54.000 0.034 0.000 0.905 486 D CB -0.025 40.830 40.800 0.092 0.000 1.044 486 D HN 0.136 nan 8.370 nan 0.000 0.487 487 L N 1.038 122.285 121.223 0.040 0.000 2.376 487 L HA -0.087 4.252 4.340 -0.001 0.000 0.219 487 L C 2.077 178.848 176.870 -0.165 0.000 1.133 487 L CA 1.277 56.060 54.840 -0.095 0.000 0.816 487 L CB -0.167 41.822 42.059 -0.117 0.000 0.933 487 L HN 0.162 nan 8.230 nan 0.000 0.449 488 T N -4.207 110.247 114.554 -0.166 0.000 2.976 488 T HA 0.051 4.400 4.350 -0.001 0.000 0.257 488 T C 1.888 176.539 174.700 -0.081 0.000 1.051 488 T CA 0.542 62.550 62.100 -0.154 0.000 1.141 488 T CB -0.292 68.465 68.868 -0.186 0.000 0.881 488 T HN 0.257 nan 8.240 nan 0.000 0.461 489 A N 1.631 124.416 122.820 -0.058 0.000 2.024 489 A HA 0.198 4.517 4.320 -0.001 0.000 0.220 489 A C 2.222 179.794 177.584 -0.021 0.000 1.164 489 A CA 0.984 53.004 52.037 -0.029 0.000 0.643 489 A CB -0.932 18.057 19.000 -0.018 0.000 0.806 489 A HN 0.580 nan 8.150 nan 0.000 0.451 490 L N -1.248 119.953 121.223 -0.037 0.000 2.627 490 L HA -0.028 4.312 4.340 -0.001 0.000 0.233 490 L C 1.255 178.125 176.870 -0.001 0.000 1.144 490 L CA -0.059 54.767 54.840 -0.024 0.000 0.892 490 L CB -0.197 41.825 42.059 -0.062 0.000 1.039 490 L HN 0.496 nan 8.230 nan 0.000 0.442 491 C N -1.465 117.829 119.300 -0.010 0.000 3.270 491 C HA 0.010 4.469 4.460 -0.001 0.000 0.369 491 C C 2.407 177.425 174.990 0.047 0.000 1.326 491 C CA -0.371 58.660 59.018 0.021 0.000 1.846 491 C CB 0.182 27.900 27.740 -0.037 0.000 2.534 491 C HN 0.421 nan 8.230 nan 0.000 0.649 492 K N 1.316 121.727 120.400 0.018 0.000 2.486 492 K HA 0.000 4.319 4.320 -0.001 0.000 0.194 492 K C 1.487 178.100 176.600 0.022 0.000 1.033 492 K CA 1.049 57.345 56.287 0.016 0.000 1.004 492 K CB 0.109 32.611 32.500 0.002 0.000 0.798 492 K HN 0.551 nan 8.250 nan 0.000 0.495 493 E N -0.950 119.272 120.200 0.037 0.000 2.152 493 E HA -0.073 4.276 4.350 -0.001 0.000 0.195 493 E C 1.328 177.954 176.600 0.043 0.000 0.934 493 E CA 0.145 56.562 56.400 0.030 0.000 0.869 493 E CB -0.141 29.577 29.700 0.029 0.000 0.842 493 E HN 0.188 nan 8.360 nan 0.000 0.472 494 Y N 3.092 123.373 120.300 -0.032 0.000 2.079 494 Y HA -0.251 4.298 4.550 -0.001 0.000 0.267 494 Y C 1.802 177.689 175.900 -0.021 0.000 1.104 494 Y CA 2.528 60.611 58.100 -0.029 0.000 1.086 494 Y CB -0.450 37.988 38.460 -0.036 0.000 0.989 494 Y HN 0.071 nan 8.280 nan 0.000 0.477 495 D N -0.545 120.067 120.400 0.353 0.000 2.393 495 D HA -0.204 4.435 4.640 -0.001 0.000 0.220 495 D C 1.567 177.887 176.300 0.034 0.000 0.974 495 D CA 1.269 55.384 54.000 0.192 0.000 0.931 495 D CB -0.506 40.398 40.800 0.174 0.000 0.889 495 D HN 0.463 nan 8.370 nan 0.000 0.512 496 E N -0.303 119.901 120.200 0.007 0.000 2.158 496 E HA -0.025 4.325 4.350 -0.001 0.000 0.191 496 E C 1.557 178.121 176.600 -0.061 0.000 0.982 496 E CA 0.441 56.830 56.400 -0.018 0.000 0.823 496 E CB -0.149 29.544 29.700 -0.011 0.000 0.766 496 E HN 0.252 nan 8.360 nan 0.000 0.468 497 L N 0.129 121.278 121.223 -0.124 0.000 2.131 497 L HA 0.153 4.492 4.340 -0.001 0.000 0.206 497 L C 2.190 178.962 176.870 -0.164 0.000 1.087 497 L CA 1.534 56.275 54.840 -0.164 0.000 0.767 497 L CB -0.980 40.925 42.059 -0.257 0.000 0.917 497 L HN 0.199 nan 8.230 nan 0.000 0.441 498 A N -1.098 121.611 122.820 -0.185 0.000 2.070 498 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 498 A C 2.309 179.860 177.584 -0.055 0.000 1.159 498 A CA 1.662 53.630 52.037 -0.115 0.000 0.656 498 A CB -0.415 18.555 19.000 -0.050 0.000 0.800 498 A HN 0.510 nan 8.150 nan 0.000 0.453 499 E N -0.248 119.923 120.200 -0.047 0.000 2.042 499 E HA -0.121 4.228 4.350 -0.001 0.000 0.189 499 E C 1.870 178.451 176.600 -0.032 0.000 0.974 499 E CA 1.422 57.806 56.400 -0.027 0.000 0.806 499 E CB -0.095 29.594 29.700 -0.018 0.000 0.769 499 E HN 0.639 nan 8.360 nan 0.000 0.451 500 T N -1.046 113.482 114.554 -0.043 0.000 3.163 500 T HA -0.085 4.264 4.350 -0.001 0.000 0.260 500 T C 1.557 176.231 174.700 -0.044 0.000 1.156 500 T CA 0.820 62.897 62.100 -0.039 0.000 1.072 500 T CB 0.237 69.079 68.868 -0.043 0.000 0.937 500 T HN 0.197 nan 8.240 nan 0.000 0.528 501 Q N 0.670 120.439 119.800 -0.051 0.000 2.324 501 Q HA 0.198 4.538 4.340 -0.001 0.000 0.207 501 Q C 2.421 178.402 176.000 -0.032 0.000 0.928 501 Q CA 0.772 56.546 55.803 -0.050 0.000 0.890 501 Q CB -0.490 28.207 28.738 -0.068 0.000 1.001 501 Q HN 0.553 nan 8.270 nan 0.000 0.517 502 G N 0.838 109.623 108.800 -0.026 0.000 2.534 502 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.217 502 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.217 502 G C 1.381 176.274 174.900 -0.012 0.000 1.128 502 G CA 0.138 45.229 45.100 -0.015 0.000 0.784 502 G HN 0.069 nan 8.290 nan 0.000 0.542 503 K N -0.361 120.030 120.400 -0.016 0.000 2.487 503 K HA 0.226 4.545 4.320 -0.001 0.000 0.192 503 K C 1.569 178.161 176.600 -0.013 0.000 1.027 503 K CA 0.140 56.420 56.287 -0.013 0.000 1.054 503 K CB 0.344 32.836 32.500 -0.014 0.000 0.824 503 K HN 0.268 nan 8.250 nan 0.000 0.510 504 L N -0.019 121.195 121.223 -0.016 0.000 2.433 504 L HA 0.107 4.446 4.340 -0.001 0.000 0.200 504 L C 1.738 178.601 176.870 -0.012 0.000 1.059 504 L CA 1.041 55.871 54.840 -0.016 0.000 0.835 504 L CB -0.222 41.824 42.059 -0.022 0.000 1.076 504 L HN 0.007 nan 8.230 nan 0.000 0.481 505 E N -0.245 119.949 120.200 -0.011 0.000 2.265 505 E HA -0.253 4.097 4.350 -0.001 0.000 0.196 505 E C 1.806 178.405 176.600 -0.001 0.000 0.996 505 E CA 1.114 57.510 56.400 -0.006 0.000 0.832 505 E CB 0.127 29.824 29.700 -0.006 0.000 0.756 505 E HN 0.471 nan 8.360 nan 0.000 0.491 506 E N 1.110 121.309 120.200 -0.002 0.000 2.060 506 E HA -0.153 4.197 4.350 -0.001 0.000 0.189 506 E C 2.035 178.637 176.600 0.003 0.000 0.974 506 E CA 0.653 57.054 56.400 0.002 0.000 0.808 506 E CB 0.146 29.846 29.700 0.000 0.000 0.768 506 E HN -0.002 nan 8.360 nan 0.000 0.453 507 K N 0.434 120.833 120.400 -0.001 0.000 2.057 507 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 507 K C 2.287 178.886 176.600 -0.001 0.000 1.049 507 K CA 1.037 57.323 56.287 -0.002 0.000 0.931 507 K CB -0.130 32.365 32.500 -0.009 0.000 0.714 507 K HN 0.115 nan 8.250 nan 0.000 0.440 508 L N 1.836 123.057 121.223 -0.004 0.000 1.943 508 L HA -0.226 4.114 4.340 -0.001 0.000 0.215 508 L C 2.479 179.357 176.870 0.014 0.000 1.074 508 L CA 1.972 56.811 54.840 -0.002 0.000 0.759 508 L CB -0.873 41.184 42.059 -0.003 0.000 0.888 508 L HN 0.311 nan 8.230 nan 0.000 0.433 509 Q N -0.992 118.817 119.800 0.016 0.000 2.248 509 Q HA -0.266 4.073 4.340 -0.001 0.000 0.208 509 Q C 2.130 178.151 176.000 0.034 0.000 0.984 509 Q CA 1.786 57.603 55.803 0.024 0.000 0.875 509 Q CB -0.220 28.528 28.738 0.018 0.000 0.910 509 Q HN 0.616 nan 8.270 nan 0.000 0.433 510 E N -0.173 120.046 120.200 0.030 0.000 2.152 510 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 510 E C 1.648 178.287 176.600 0.066 0.000 0.983 510 E CA 0.671 57.094 56.400 0.038 0.000 0.818 510 E CB 0.164 29.880 29.700 0.027 0.000 0.758 510 E HN 0.327 nan 8.360 nan 0.000 0.467 511 L N 1.564 122.828 121.223 0.069 0.000 2.068 511 L HA -0.103 4.236 4.340 -0.001 0.000 0.204 511 L C 2.206 179.211 176.870 0.224 0.000 1.076 511 L CA 1.718 56.637 54.840 0.131 0.000 0.753 511 L CB -0.774 41.271 42.059 -0.022 0.000 0.910 511 L HN 0.201 nan 8.230 nan 0.000 0.439 512 E N -0.568 119.717 120.200 0.141 0.000 2.526 512 E HA -0.026 4.323 4.350 -0.001 0.000 0.198 512 E C 1.350 178.019 176.600 0.116 0.000 1.091 512 E CA 0.798 57.291 56.400 0.156 0.000 0.880 512 E CB -0.083 29.674 29.700 0.095 0.000 0.873 512 E HN 0.412 nan 8.360 nan 0.000 0.527 513 A N 1.112 123.991 122.820 0.098 0.000 2.287 513 A HA 0.167 4.486 4.320 -0.001 0.000 0.214 513 A C 0.469 178.079 177.584 0.044 0.000 1.228 513 A CA -0.320 51.752 52.037 0.059 0.000 0.939 513 A CB 0.319 19.345 19.000 0.044 0.000 0.992 513 A HN 0.068 nan 8.150 nan 0.000 0.502 514 N N 1.131 119.867 118.700 0.061 0.000 2.735 514 N HA 0.352 5.091 4.740 -0.001 0.000 0.312 514 N C -3.155 172.307 175.510 -0.080 0.000 1.843 514 N CA -0.945 52.114 53.050 0.014 0.000 0.945 514 N CB 0.701 39.210 38.487 0.036 0.000 1.299 514 N HN 0.190 nan 8.380 nan 0.000 0.489 515 P HA 0.268 nan 4.420 nan 0.000 0.275 515 P C -2.228 174.843 177.300 -0.383 0.000 1.228 515 P CA -0.809 62.009 63.100 -0.470 0.000 0.786 515 P CB 0.380 31.960 31.700 -0.199 0.000 0.927 516 P HA 0.153 nan 4.420 nan 0.000 0.275 516 P C -0.407 176.769 177.300 -0.206 0.000 1.266 516 P CA -0.342 62.586 63.100 -0.287 0.000 0.793 516 P CB 0.301 31.819 31.700 -0.303 0.000 1.074 517 S N 0.420 116.039 115.700 -0.135 0.000 2.558 517 S HA -0.084 4.385 4.470 -0.001 0.000 0.293 517 S C 1.063 175.607 174.600 -0.093 0.000 1.292 517 S CA 0.260 58.411 58.200 -0.083 0.000 1.063 517 S CB -0.033 63.147 63.200 -0.033 0.000 0.831 517 S HN 0.569 nan 8.310 nan 0.000 0.499 518 D N 1.569 121.939 120.400 -0.050 0.000 2.162 518 D HA -0.020 4.620 4.640 -0.001 0.000 0.203 518 D C 0.520 176.819 176.300 -0.001 0.000 0.967 518 D CA 0.839 54.826 54.000 -0.022 0.000 0.840 518 D CB 0.252 41.062 40.800 0.018 0.000 0.972 518 D HN 0.425 nan 8.370 nan 0.000 0.482 519 V N -3.102 116.820 119.914 0.014 0.000 3.159 519 V HA 0.336 4.456 4.120 -0.001 0.000 0.308 519 V C 0.377 176.528 176.094 0.095 0.000 1.190 519 V CA -1.023 61.309 62.300 0.053 0.000 1.037 519 V CB 1.090 32.943 31.823 0.049 0.000 1.060 519 V HN -0.004 nan 8.190 nan 0.000 0.437 520 Y N 2.810 123.110 120.300 0.001 0.000 2.130 520 Y HA 0.397 4.947 4.550 -0.001 0.000 0.287 520 Y C 0.496 176.406 175.900 0.016 0.000 1.124 520 Y CA 1.265 59.372 58.100 0.012 0.000 1.118 520 Y CB 0.144 38.621 38.460 0.028 0.000 0.994 520 Y HN 0.548 nan 8.280 nan 0.000 0.497 521 L N 0.946 122.088 121.223 -0.134 0.000 2.409 521 L HA 0.348 4.687 4.340 -0.001 0.000 0.272 521 L C 0.082 176.915 176.870 -0.063 0.000 0.980 521 L CA -0.932 53.778 54.840 -0.218 0.000 0.826 521 L CB 1.877 43.782 42.059 -0.256 0.000 1.268 521 L HN 0.064 nan 8.230 nan 0.000 0.407 522 S N 0.540 116.204 115.700 -0.061 0.000 2.600 522 S HA 0.063 4.532 4.470 -0.001 0.000 0.265 522 S C 1.306 175.899 174.600 -0.012 0.000 1.325 522 S CA 0.108 58.295 58.200 -0.023 0.000 1.002 522 S CB 1.525 64.710 63.200 -0.026 0.000 0.921 522 S HN 0.670 nan 8.310 nan 0.000 0.554 523 S N 0.950 116.653 115.700 0.005 0.000 2.374 523 S HA -0.189 4.280 4.470 -0.001 0.000 0.227 523 S C 2.025 176.629 174.600 0.007 0.000 1.037 523 S CA 1.562 59.771 58.200 0.014 0.000 1.024 523 S CB -0.538 62.673 63.200 0.019 0.000 0.861 523 S HN 0.757 nan 8.310 nan 0.000 0.456 524 R N 0.243 120.741 120.500 -0.004 0.000 2.115 524 R HA -0.004 4.336 4.340 -0.001 0.000 0.226 524 R C 1.869 178.156 176.300 -0.022 0.000 1.100 524 R CA 1.396 57.489 56.100 -0.011 0.000 0.980 524 R CB -0.244 30.046 30.300 -0.017 0.000 0.875 524 R HN 0.447 nan 8.270 nan 0.000 0.445 525 D N 0.151 120.529 120.400 -0.036 0.000 2.117 525 D HA -0.147 4.492 4.640 -0.001 0.000 0.198 525 D C 1.855 178.129 176.300 -0.043 0.000 0.982 525 D CA 1.003 54.968 54.000 -0.057 0.000 0.828 525 D CB -0.072 40.669 40.800 -0.100 0.000 0.967 525 D HN 0.000 nan 8.370 nan 0.000 0.464 526 R N 1.237 121.724 120.500 -0.022 0.000 2.120 526 R HA -0.095 4.244 4.340 -0.001 0.000 0.234 526 R C 2.020 178.342 176.300 0.037 0.000 1.123 526 R CA 1.365 57.475 56.100 0.017 0.000 0.975 526 R CB -0.311 30.017 30.300 0.047 0.000 0.866 526 R HN 0.221 nan 8.270 nan 0.000 0.446 527 Q N -0.381 119.437 119.800 0.029 0.000 2.079 527 Q HA -0.070 4.270 4.340 -0.001 0.000 0.200 527 Q C 2.119 178.150 176.000 0.052 0.000 0.974 527 Q CA 1.716 57.543 55.803 0.041 0.000 0.840 527 Q CB -0.086 28.667 28.738 0.024 0.000 0.898 527 Q HN 0.403 nan 8.270 nan 0.000 0.430 528 I N 0.343 120.930 120.570 0.028 0.000 2.315 528 I HA -0.238 3.931 4.170 -0.001 0.000 0.248 528 I C 2.215 178.404 176.117 0.119 0.000 1.117 528 I CA 0.475 61.803 61.300 0.048 0.000 1.404 528 I CB -0.170 37.826 38.000 -0.006 0.000 1.071 528 I HN 0.209 nan 8.210 nan 0.000 0.419 529 L N 0.911 122.152 121.223 0.030 0.000 2.046 529 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 529 L C 1.948 178.674 176.870 -0.239 0.000 1.077 529 L CA 2.007 56.785 54.840 -0.102 0.000 0.747 529 L CB -0.807 41.162 42.059 -0.151 0.000 0.896 529 L HN 0.164 nan 8.230 nan 0.000 0.432 530 D N -1.442 118.940 120.400 -0.031 0.000 2.221 530 D HA -0.255 4.384 4.640 -0.001 0.000 0.204 530 D C 1.779 178.089 176.300 0.017 0.000 0.982 530 D CA 1.152 55.201 54.000 0.083 0.000 0.857 530 D CB -0.257 40.623 40.800 0.134 0.000 0.934 530 D HN 0.617 nan 8.370 nan 0.000 0.475 531 W N 1.102 122.320 121.300 -0.136 0.000 2.381 531 W HA -0.154 4.505 4.660 -0.001 0.000 0.301 531 W C 2.301 178.652 176.519 -0.279 0.000 1.205 531 W CA 1.259 58.507 57.345 -0.162 0.000 1.285 531 W CB -0.244 29.113 29.460 -0.173 0.000 1.133 531 W HN 0.086 nan 8.180 nan 0.000 0.521 532 H N -1.048 117.939 119.070 -0.138 0.000 2.423 532 H HA -0.112 4.443 4.556 -0.001 0.000 0.297 532 H C 1.938 176.871 175.328 -0.659 0.000 1.075 532 H CA 1.756 57.450 56.048 -0.590 0.000 1.342 532 H CB -0.578 28.585 29.762 -0.998 0.000 1.395 532 H HN 0.165 nan 8.280 nan 0.000 0.530 533 F N 0.796 120.617 119.950 -0.215 0.000 2.206 533 F HA 0.001 4.527 4.527 -0.001 0.000 0.298 533 F C 2.741 178.363 175.800 -0.297 0.000 1.090 533 F CA 0.608 58.534 58.000 -0.123 0.000 1.323 533 F CB -0.935 38.048 39.000 -0.028 0.000 1.028 533 F HN 0.083 nan 8.300 nan 0.000 0.492 534 A N 0.226 122.863 122.820 -0.304 0.000 1.883 534 A HA -0.277 4.042 4.320 -0.001 0.000 0.217 534 A C 2.107 179.184 177.584 -0.845 0.000 1.186 534 A CA 2.112 53.729 52.037 -0.699 0.000 0.624 534 A CB -1.166 17.185 19.000 -1.083 0.000 0.822 534 A HN 0.400 nan 8.150 nan 0.000 0.444 535 N N -0.264 117.965 118.700 -0.785 0.000 2.149 535 N HA -0.102 4.637 4.740 -0.001 0.000 0.188 535 N C 1.541 177.045 175.510 -0.009 0.000 1.019 535 N CA 1.387 54.265 53.050 -0.287 0.000 0.857 535 N CB -0.308 37.900 38.487 -0.464 0.000 0.997 535 N HN 0.483 nan 8.380 nan 0.000 0.426 536 L N 0.205 121.395 121.223 -0.056 0.000 2.156 536 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 536 L C 1.626 178.477 176.870 -0.032 0.000 1.095 536 L CA 1.113 55.983 54.840 0.049 0.000 0.770 536 L CB -0.217 41.936 42.059 0.157 0.000 0.914 536 L HN 0.334 nan 8.230 nan 0.000 0.439 537 E N -0.635 119.505 120.200 -0.100 0.000 2.208 537 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 537 E C 1.850 178.431 176.600 -0.031 0.000 0.988 537 E CA 0.962 57.285 56.400 -0.129 0.000 0.828 537 E CB -0.059 29.526 29.700 -0.193 0.000 0.763 537 E HN 0.436 nan 8.360 nan 0.000 0.478 538 F N 1.989 121.874 119.950 -0.108 0.000 2.084 538 F HA -0.056 4.470 4.527 -0.001 0.000 0.296 538 F C 2.201 178.095 175.800 0.157 0.000 1.111 538 F CA 1.421 59.458 58.000 0.060 0.000 1.224 538 F CB -0.832 38.327 39.000 0.264 0.000 0.991 538 F HN -0.084 nan 8.300 nan 0.000 0.471 539 A N 0.642 123.214 122.820 -0.413 0.000 1.940 539 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 539 A C 1.927 179.513 177.584 0.004 0.000 1.176 539 A CA 1.951 53.746 52.037 -0.404 0.000 0.631 539 A CB -0.943 17.964 19.000 -0.155 0.000 0.814 539 A HN 0.643 nan 8.150 nan 0.000 0.446 540 N N -0.994 117.735 118.700 0.048 0.000 2.280 540 N HA 0.252 4.991 4.740 -0.001 0.000 0.192 540 N C 0.689 176.185 175.510 -0.023 0.000 1.109 540 N CA 0.776 53.897 53.050 0.119 0.000 0.855 540 N CB 0.308 38.833 38.487 0.062 0.000 0.974 540 N HN 0.565 nan 8.380 nan 0.000 0.482 541 A N 0.727 123.475 122.820 -0.120 0.000 2.783 541 A HA -0.181 4.139 4.320 -0.001 0.000 0.292 541 A C 0.402 177.787 177.584 -0.331 0.000 1.495 541 A CA 1.654 53.481 52.037 -0.351 0.000 0.787 541 A CB -2.012 16.349 19.000 -1.064 0.000 1.017 541 A HN 0.344 nan 8.150 nan 0.000 0.516 542 T N -2.133 112.232 114.554 -0.316 0.000 2.893 542 T HA 0.542 4.891 4.350 -0.001 0.000 0.337 542 T C -3.344 171.147 174.700 -0.349 0.000 1.587 542 T CA -0.618 61.228 62.100 -0.423 0.000 1.066 542 T CB 1.410 69.704 68.868 -0.957 0.000 1.414 542 T HN -0.000 nan 8.240 nan 0.000 0.488 543 P HA 0.160 nan 4.420 nan 0.000 0.265 543 P C 0.724 177.866 177.300 -0.264 0.000 1.193 543 P CA -0.350 62.614 63.100 -0.227 0.000 0.765 543 P CB 0.398 31.998 31.700 -0.166 0.000 0.823 544 L N 2.986 124.056 121.223 -0.254 0.000 2.187 544 L HA -0.195 4.144 4.340 -0.001 0.000 0.213 544 L C 2.122 178.846 176.870 -0.244 0.000 1.100 544 L CA 2.079 56.744 54.840 -0.290 0.000 0.765 544 L CB -1.783 40.069 42.059 -0.345 0.000 0.904 544 L HN 0.397 nan 8.230 nan 0.000 0.437 545 S N -2.462 113.122 115.700 -0.193 0.000 2.507 545 S HA -0.113 4.357 4.470 -0.001 0.000 0.235 545 S C 1.702 176.244 174.600 -0.097 0.000 0.988 545 S CA 1.056 59.173 58.200 -0.137 0.000 0.944 545 S CB -0.791 62.346 63.200 -0.106 0.000 0.762 545 S HN 0.607 nan 8.310 nan 0.000 0.526 546 T N -0.971 113.512 114.554 -0.117 0.000 3.022 546 T HA 0.404 4.754 4.350 -0.001 0.000 0.250 546 T C 0.445 175.176 174.700 0.051 0.000 1.060 546 T CA -0.462 61.621 62.100 -0.027 0.000 1.013 546 T CB -0.409 68.434 68.868 -0.041 0.000 0.982 546 T HN 0.293 nan 8.240 nan 0.000 0.508 547 L N 2.551 123.742 121.223 -0.052 0.000 2.397 547 L HA 0.384 4.724 4.340 -0.001 0.000 0.271 547 L C 0.783 177.719 176.870 0.110 0.000 1.148 547 L CA -0.700 54.177 54.840 0.062 0.000 0.825 547 L CB 1.078 43.095 42.059 -0.071 0.000 1.117 547 L HN 0.172 nan 8.230 nan 0.000 0.456 548 S N 2.168 118.010 115.700 0.238 0.000 2.498 548 S HA 0.035 4.504 4.470 -0.001 0.000 0.281 548 S C 0.883 175.615 174.600 0.220 0.000 1.265 548 S CA -0.706 57.617 58.200 0.204 0.000 1.071 548 S CB 0.535 63.904 63.200 0.281 0.000 0.894 548 S HN 0.528 nan 8.310 nan 0.000 0.491 549 L N 6.093 127.361 121.223 0.076 0.000 2.017 549 L HA 0.021 4.361 4.340 -0.001 0.000 0.208 549 L C 2.292 179.231 176.870 0.115 0.000 1.073 549 L CA 2.067 56.950 54.840 0.072 0.000 0.745 549 L CB -0.756 41.242 42.059 -0.102 0.000 0.894 549 L HN 0.833 nan 8.230 nan 0.000 0.432 550 K N -2.023 118.332 120.400 -0.074 0.000 2.103 550 K HA -0.125 4.194 4.320 -0.001 0.000 0.204 550 K C 1.284 177.729 176.600 -0.260 0.000 1.052 550 K CA 1.357 57.496 56.287 -0.247 0.000 0.945 550 K CB -0.038 32.167 32.500 -0.491 0.000 0.722 550 K HN 0.560 nan 8.250 nan 0.000 0.443 551 H N -1.224 117.958 119.070 0.187 0.000 2.893 551 H HA -0.003 4.552 4.556 -0.001 0.000 0.270 551 H C 1.315 176.711 175.328 0.113 0.000 1.095 551 H CA 0.072 56.193 56.048 0.121 0.000 1.186 551 H CB -0.009 29.825 29.762 0.120 0.000 1.562 551 H HN 0.432 nan 8.280 nan 0.000 0.536 552 W N 2.851 124.255 121.300 0.174 0.000 2.325 552 W HA -0.151 4.509 4.660 -0.001 0.000 0.299 552 W C 0.011 176.610 176.519 0.133 0.000 1.215 552 W CA 1.349 58.788 57.345 0.157 0.000 1.244 552 W CB -0.598 28.927 29.460 0.107 0.000 1.140 552 W HN 0.123 nan 8.180 nan 0.000 0.523 553 D N 0.636 120.473 120.400 -0.939 0.000 2.525 553 D HA -0.079 4.560 4.640 -0.001 0.000 0.229 553 D C 1.913 177.976 176.300 -0.395 0.000 1.202 553 D CA -0.014 53.456 54.000 -0.882 0.000 0.828 553 D CB -0.432 39.457 40.800 -1.519 0.000 1.008 553 D HN 0.134 nan 8.370 nan 0.000 0.493 554 Q N 1.987 121.673 119.800 -0.189 0.000 2.242 554 Q HA -0.230 4.109 4.340 -0.001 0.000 0.211 554 Q C 0.574 176.531 176.000 -0.070 0.000 0.992 554 Q CA 1.996 57.764 55.803 -0.060 0.000 0.889 554 Q CB -0.109 28.655 28.738 0.043 0.000 0.913 554 Q HN 0.567 nan 8.270 nan 0.000 0.422 555 D N -1.767 118.575 120.400 -0.097 0.000 2.369 555 D HA -0.036 4.603 4.640 -0.001 0.000 0.211 555 D C 0.876 177.163 176.300 -0.021 0.000 1.077 555 D CA 0.214 54.203 54.000 -0.018 0.000 0.842 555 D CB -0.257 40.459 40.800 -0.139 0.000 0.947 555 D HN 0.128 nan 8.370 nan 0.000 0.509 556 D N 1.427 121.750 120.400 -0.127 0.000 2.172 556 D HA -0.240 4.399 4.640 -0.001 0.000 0.196 556 D C 1.356 177.555 176.300 -0.168 0.000 0.999 556 D CA 1.307 55.221 54.000 -0.143 0.000 0.856 556 D CB -0.139 40.547 40.800 -0.189 0.000 0.934 556 D HN 0.126 nan 8.370 nan 0.000 0.453 557 D N -1.933 118.304 120.400 -0.271 0.000 2.384 557 D HA -0.127 4.513 4.640 -0.001 0.000 0.222 557 D C 0.721 176.626 176.300 -0.659 0.000 0.976 557 D CA 0.632 54.353 54.000 -0.465 0.000 0.915 557 D CB -0.062 40.368 40.800 -0.617 0.000 0.896 557 D HN 0.277 nan 8.370 nan 0.000 0.523 558 F N 0.537 120.367 119.950 -0.200 0.000 2.678 558 F HA 0.286 4.812 4.527 -0.001 0.000 0.305 558 F C 0.834 176.483 175.800 -0.250 0.000 1.090 558 F CA -0.410 57.444 58.000 -0.243 0.000 1.272 558 F CB -0.117 38.575 39.000 -0.513 0.000 1.060 558 F HN -0.238 nan 8.300 nan 0.000 0.576 559 E N 0.782 120.928 120.200 -0.091 0.000 2.467 559 E HA -0.025 4.324 4.350 -0.001 0.000 0.264 559 E C -0.561 176.015 176.600 -0.040 0.000 1.020 559 E CA 0.219 56.551 56.400 -0.115 0.000 0.945 559 E CB 0.474 30.181 29.700 0.013 0.000 0.942 559 E HN -0.014 nan 8.360 nan 0.000 0.449 560 F N 0.422 120.440 119.950 0.113 0.000 2.370 560 F HA 0.166 4.693 4.527 -0.001 0.000 0.319 560 F C 1.206 177.091 175.800 0.141 0.000 1.129 560 F CA -0.896 57.153 58.000 0.081 0.000 1.109 560 F CB 0.743 39.735 39.000 -0.012 0.000 1.262 560 F HN 0.260 nan 8.300 nan 0.000 0.534 561 T N -0.869 113.920 114.554 0.392 0.000 2.907 561 T HA 0.775 5.124 4.350 -0.001 0.000 0.284 561 T C -0.014 174.830 174.700 0.240 0.000 1.004 561 T CA -0.030 62.245 62.100 0.292 0.000 1.063 561 T CB 1.260 70.303 68.868 0.292 0.000 0.992 561 T HN 1.370 nan 8.240 nan 0.000 0.483 562 G N 1.262 110.176 108.800 0.191 0.000 2.423 562 G HA2 0.209 4.168 3.960 -0.001 0.000 0.684 562 G HA3 0.209 4.168 3.960 -0.001 0.000 0.684 562 G C -0.593 174.419 174.900 0.188 0.000 1.309 562 G CA -0.647 44.550 45.100 0.161 0.000 0.950 562 G HN 0.996 nan 8.290 nan 0.000 0.587 563 S N 0.266 116.060 115.700 0.156 0.000 2.565 563 S HA 0.451 4.921 4.470 -0.001 0.000 0.276 563 S C 0.415 175.182 174.600 0.277 0.000 1.326 563 S CA -0.378 57.921 58.200 0.165 0.000 1.045 563 S CB 0.496 63.765 63.200 0.115 0.000 0.918 563 S HN 0.571 nan 8.310 nan 0.000 0.505 564 H N 0.916 120.063 119.070 0.129 0.000 2.707 564 H HA 0.310 4.865 4.556 -0.001 0.000 0.359 564 H C -0.543 174.862 175.328 0.129 0.000 1.113 564 H CA -0.458 55.678 56.048 0.146 0.000 1.422 564 H CB 0.419 30.291 29.762 0.183 0.000 1.443 564 H HN 0.248 nan 8.280 nan 0.000 0.591 565 L N 0.931 122.281 121.223 0.212 0.000 2.257 565 L HA 0.447 4.787 4.340 -0.001 0.000 0.257 565 L C 0.287 177.223 176.870 0.110 0.000 1.033 565 L CA -0.641 54.280 54.840 0.135 0.000 0.835 565 L CB 1.916 44.015 42.059 0.067 0.000 1.398 565 L HN 0.501 nan 8.230 nan 0.000 0.429 566 T N -0.307 114.289 114.554 0.069 0.000 2.907 566 T HA 0.586 4.936 4.350 -0.001 0.000 0.292 566 T C -1.069 173.607 174.700 -0.039 0.000 1.043 566 T CA -0.414 61.705 62.100 0.033 0.000 1.003 566 T CB 1.874 70.792 68.868 0.083 0.000 1.084 566 T HN 0.255 nan 8.240 nan 0.000 0.483 567 V N 4.622 124.493 119.914 -0.071 0.000 2.322 567 V HA 0.243 4.362 4.120 -0.001 0.000 0.258 567 V C 1.524 177.659 176.094 0.068 0.000 1.074 567 V CA -0.387 61.875 62.300 -0.063 0.000 0.909 567 V CB 0.513 32.235 31.823 -0.168 0.000 1.090 567 V HN 0.715 nan 8.190 nan 0.000 0.486 568 R N 4.908 125.438 120.500 0.051 0.000 2.105 568 R HA -0.144 4.195 4.340 -0.001 0.000 0.239 568 R C 1.647 178.088 176.300 0.235 0.000 1.135 568 R CA 2.216 58.384 56.100 0.113 0.000 0.967 568 R CB -0.039 30.303 30.300 0.071 0.000 0.861 568 R HN 0.844 nan 8.270 nan 0.000 0.442 569 N N -0.607 118.188 118.700 0.158 0.000 2.251 569 N HA 0.134 4.873 4.740 -0.001 0.000 0.217 569 N C -0.475 175.120 175.510 0.142 0.000 1.124 569 N CA 0.631 53.767 53.050 0.143 0.000 0.843 569 N CB 0.507 39.045 38.487 0.084 0.000 1.024 569 N HN 0.275 nan 8.380 nan 0.000 0.501 570 G N 0.659 109.579 108.800 0.200 0.000 3.307 570 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.686 570 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.686 570 G C -0.178 174.848 174.900 0.210 0.000 0.983 570 G CA -0.361 44.854 45.100 0.192 0.000 0.804 570 G HN 0.357 nan 8.290 nan 0.000 0.531 571 Y N 1.650 122.017 120.300 0.112 0.000 2.483 571 Y HA -0.174 4.375 4.550 -0.001 0.000 0.291 571 Y C 2.925 178.867 175.900 0.070 0.000 1.143 571 Y CA 1.654 59.805 58.100 0.085 0.000 1.289 571 Y CB 0.228 38.736 38.460 0.080 0.000 0.983 571 Y HN 0.953 nan 8.280 nan 0.000 0.556 572 S N -0.726 115.121 115.700 0.245 0.000 2.469 572 S HA -0.237 4.233 4.470 -0.001 0.000 0.238 572 S C 1.955 176.629 174.600 0.123 0.000 0.998 572 S CA 0.912 59.198 58.200 0.143 0.000 0.957 572 S CB -1.602 61.660 63.200 0.104 0.000 0.764 572 S HN 0.664 nan 8.310 nan 0.000 0.514 573 C N 0.143 119.526 119.300 0.138 0.000 2.409 573 C HA 0.110 4.569 4.460 -0.001 0.000 0.288 573 C C 2.229 177.281 174.990 0.103 0.000 1.395 573 C CA 0.135 59.212 59.018 0.099 0.000 1.792 573 C CB -1.851 25.941 27.740 0.085 0.000 1.847 573 C HN 0.421 nan 8.230 nan 0.000 0.534 574 V N 2.812 122.819 119.914 0.156 0.000 2.273 574 V HA -0.036 4.083 4.120 -0.001 0.000 0.242 574 V C 0.589 176.729 176.094 0.077 0.000 1.035 574 V CA 2.410 64.795 62.300 0.140 0.000 1.013 574 V CB -1.509 30.454 31.823 0.233 0.000 0.652 574 V HN 0.353 nan 8.190 nan 0.000 0.452 575 P HA -0.062 nan 4.420 nan 0.000 0.219 575 P C 1.893 179.202 177.300 0.014 0.000 1.150 575 P CA 1.206 64.317 63.100 0.019 0.000 0.814 575 P CB 0.013 31.714 31.700 0.002 0.000 0.787 576 V N 1.065 120.993 119.914 0.025 0.000 2.343 576 V HA -0.225 3.894 4.120 -0.001 0.000 0.247 576 V C 2.839 178.935 176.094 0.005 0.000 1.051 576 V CA 2.353 64.660 62.300 0.013 0.000 1.036 576 V CB -1.616 30.219 31.823 0.019 0.000 0.654 576 V HN 0.114 nan 8.190 nan 0.000 0.451 577 A N -0.677 122.152 122.820 0.015 0.000 1.968 577 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 577 A C 2.150 179.729 177.584 -0.008 0.000 1.169 577 A CA 1.243 53.282 52.037 0.005 0.000 0.638 577 A CB -0.425 18.585 19.000 0.016 0.000 0.812 577 A HN 0.503 nan 8.150 nan 0.000 0.446 578 L N -0.855 120.368 121.223 0.001 0.000 2.275 578 L HA -0.125 4.214 4.340 -0.001 0.000 0.215 578 L C 2.796 179.645 176.870 -0.034 0.000 1.119 578 L CA 0.768 55.602 54.840 -0.010 0.000 0.790 578 L CB -0.340 41.723 42.059 0.006 0.000 0.919 578 L HN 0.445 nan 8.230 nan 0.000 0.443 579 A N -0.876 121.924 122.820 -0.032 0.000 2.167 579 A HA -0.088 4.231 4.320 -0.001 0.000 0.214 579 A C 1.077 178.630 177.584 -0.052 0.000 1.151 579 A CA 0.012 52.022 52.037 -0.045 0.000 0.735 579 A CB -0.322 18.655 19.000 -0.038 0.000 0.802 579 A HN 0.340 nan 8.150 nan 0.000 0.467 580 E N -0.293 119.878 120.200 -0.049 0.000 2.558 580 E HA 0.226 4.576 4.350 -0.001 0.000 0.255 580 E C 1.251 177.811 176.600 -0.066 0.000 0.968 580 E CA 0.691 57.059 56.400 -0.053 0.000 0.939 580 E CB -0.055 29.613 29.700 -0.053 0.000 0.921 580 E HN 0.657 nan 8.360 nan 0.000 0.477 581 G N 3.667 112.431 108.800 -0.060 0.000 2.184 581 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.264 581 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.264 581 G C 0.212 175.071 174.900 -0.069 0.000 0.975 581 G CA 0.348 45.410 45.100 -0.063 0.000 0.642 581 G HN 0.461 nan 8.290 nan 0.000 0.536 582 L N 0.260 121.440 121.223 -0.072 0.000 2.379 582 L HA 0.501 4.840 4.340 -0.001 0.000 0.269 582 L C 0.172 176.995 176.870 -0.078 0.000 1.084 582 L CA -0.773 54.019 54.840 -0.080 0.000 0.802 582 L CB 1.148 43.156 42.059 -0.086 0.000 1.175 582 L HN 0.102 nan 8.230 nan 0.000 0.448 583 D N 2.682 123.030 120.400 -0.086 0.000 2.468 583 D HA 0.351 4.990 4.640 -0.001 0.000 0.218 583 D C -0.638 175.594 176.300 -0.113 0.000 1.155 583 D CA -0.048 53.899 54.000 -0.088 0.000 0.924 583 D CB 0.107 40.858 40.800 -0.081 0.000 1.029 583 D HN 0.190 nan 8.370 nan 0.000 0.515 584 I N 3.250 123.755 120.570 -0.108 0.000 2.354 584 I HA 0.272 4.441 4.170 -0.001 0.000 0.292 584 I C 0.317 176.352 176.117 -0.137 0.000 0.989 584 I CA -0.840 60.384 61.300 -0.127 0.000 1.188 584 I CB 1.542 39.479 38.000 -0.105 0.000 1.342 584 I HN -0.004 nan 8.210 nan 0.000 0.457 585 K N 7.219 127.510 120.400 -0.181 0.000 2.347 585 K HA 0.510 4.829 4.320 -0.001 0.000 0.262 585 K C -0.564 175.922 176.600 -0.189 0.000 1.052 585 K CA -0.431 55.739 56.287 -0.195 0.000 0.946 585 K CB 1.111 33.453 32.500 -0.264 0.000 1.220 585 K HN 0.473 nan 8.250 nan 0.000 0.450 586 L N 1.782 122.916 121.223 -0.148 0.000 2.482 586 L HA 0.123 4.462 4.340 -0.001 0.000 0.242 586 L C 0.620 177.406 176.870 -0.139 0.000 1.210 586 L CA -0.255 54.501 54.840 -0.140 0.000 0.819 586 L CB 0.060 42.058 42.059 -0.100 0.000 1.203 586 L HN 0.759 nan 8.230 nan 0.000 0.495 587 N N -1.521 117.096 118.700 -0.139 0.000 2.686 587 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 587 N C -0.868 174.591 175.510 -0.085 0.000 1.082 587 N CA 0.710 53.699 53.050 -0.103 0.000 0.725 587 N CB -1.057 37.411 38.487 -0.031 0.000 1.009 587 N HN 0.550 nan 8.380 nan 0.000 0.545 588 T N 0.061 114.522 114.554 -0.154 0.000 2.977 588 T HA 0.576 4.925 4.350 -0.001 0.000 0.346 588 T C 0.064 174.680 174.700 -0.139 0.000 1.140 588 T CA -0.436 61.601 62.100 -0.104 0.000 1.040 588 T CB 1.158 69.908 68.868 -0.196 0.000 1.046 588 T HN 0.324 nan 8.240 nan 0.000 0.494 589 A N 3.446 126.216 122.820 -0.085 0.000 2.309 589 A HA 0.613 4.932 4.320 -0.001 0.000 0.290 589 A C 0.425 178.024 177.584 0.024 0.000 1.206 589 A CA -0.488 51.486 52.037 -0.106 0.000 0.850 589 A CB 0.214 19.209 19.000 -0.009 0.000 1.118 589 A HN 0.651 nan 8.150 nan 0.000 0.523 590 V N 3.747 123.658 119.914 -0.005 0.000 2.572 590 V HA 0.156 4.275 4.120 -0.001 0.000 0.291 590 V C 1.217 177.327 176.094 0.026 0.000 1.039 590 V CA 0.462 62.770 62.300 0.015 0.000 1.055 590 V CB 0.946 32.751 31.823 -0.031 0.000 0.969 590 V HN 1.043 nan 8.190 nan 0.000 0.482 591 R N 1.693 122.204 120.500 0.018 0.000 2.342 591 R HA 0.265 4.604 4.340 -0.001 0.000 0.204 591 R C 0.417 176.677 176.300 -0.066 0.000 0.882 591 R CA 0.241 56.339 56.100 -0.003 0.000 1.041 591 R CB 0.491 30.806 30.300 0.026 0.000 1.188 591 R HN 0.798 nan 8.270 nan 0.000 0.598 592 Q N 0.038 119.799 119.800 -0.066 0.000 2.345 592 Q HA 0.509 4.848 4.340 -0.001 0.000 0.275 592 Q C -1.697 174.250 176.000 -0.089 0.000 1.063 592 Q CA -0.731 55.013 55.803 -0.098 0.000 0.819 592 Q CB 2.476 31.192 28.738 -0.038 0.000 1.356 592 Q HN -0.075 nan 8.270 nan 0.000 0.418 593 V N 4.124 123.962 119.914 -0.128 0.000 2.409 593 V HA 0.522 4.641 4.120 -0.001 0.000 0.290 593 V C -0.819 175.393 176.094 0.198 0.000 1.017 593 V CA -0.618 61.687 62.300 0.009 0.000 0.841 593 V CB 1.569 33.364 31.823 -0.046 0.000 1.003 593 V HN 0.720 nan 8.190 nan 0.000 0.426 594 R N 4.620 125.230 120.500 0.183 0.000 2.393 594 R HA 0.697 5.036 4.340 -0.001 0.000 0.310 594 R C -1.464 174.985 176.300 0.249 0.000 0.968 594 R CA -0.678 55.517 56.100 0.158 0.000 0.867 594 R CB 1.762 32.096 30.300 0.057 0.000 1.124 594 R HN 0.766 nan 8.270 nan 0.000 0.450 595 Y N -1.214 119.131 120.300 0.075 0.000 2.354 595 Y HA 0.539 5.089 4.550 -0.001 0.000 0.330 595 Y C -0.513 175.422 175.900 0.057 0.000 1.011 595 Y CA -1.237 56.903 58.100 0.068 0.000 1.099 595 Y CB 1.319 39.820 38.460 0.069 0.000 1.179 595 Y HN 0.631 nan 8.280 nan 0.000 0.442 596 T N -1.083 113.516 114.554 0.075 0.000 2.910 596 T HA 0.708 5.058 4.350 -0.001 0.000 0.287 596 T C 0.919 175.668 174.700 0.082 0.000 1.050 596 T CA -0.546 61.565 62.100 0.018 0.000 1.011 596 T CB 1.605 70.476 68.868 0.005 0.000 1.195 596 T HN 1.040 nan 8.240 nan 0.000 0.540 597 A N 0.540 123.394 122.820 0.055 0.000 2.259 597 A HA 0.207 4.527 4.320 -0.001 0.000 0.212 597 A C 1.591 179.217 177.584 0.071 0.000 1.178 597 A CA 1.057 53.133 52.037 0.066 0.000 0.734 597 A CB -1.042 17.982 19.000 0.041 0.000 0.774 597 A HN 1.371 nan 8.150 nan 0.000 0.481 598 S N -2.695 113.049 115.700 0.074 0.000 3.025 598 S HA 0.551 5.020 4.470 -0.001 0.000 0.251 598 S C 0.238 174.893 174.600 0.092 0.000 0.954 598 S CA 0.257 58.503 58.200 0.077 0.000 1.092 598 S CB -0.237 62.994 63.200 0.052 0.000 1.079 598 S HN 1.824 nan 8.310 nan 0.000 0.543 599 G N -0.118 108.753 108.800 0.119 0.000 2.359 599 G HA2 0.349 4.309 3.960 -0.001 0.000 0.314 599 G HA3 0.349 4.309 3.960 -0.001 0.000 0.314 599 G C -1.258 173.719 174.900 0.129 0.000 1.364 599 G CA -0.296 44.877 45.100 0.121 0.000 0.978 599 G HN 0.622 nan 8.290 nan 0.000 0.615 600 C N -0.318 119.054 119.300 0.119 0.000 2.898 600 C HA 0.874 5.333 4.460 -0.001 0.000 0.304 600 C C -0.301 174.751 174.990 0.103 0.000 1.237 600 C CA -0.671 58.425 59.018 0.130 0.000 1.529 600 C CB 1.876 29.699 27.740 0.137 0.000 2.021 600 C HN 0.786 nan 8.230 nan 0.000 0.474 601 E N 0.895 121.160 120.200 0.108 0.000 2.263 601 E HA 0.544 4.893 4.350 -0.001 0.000 0.268 601 E C -1.597 175.064 176.600 0.102 0.000 0.884 601 E CA -0.366 56.091 56.400 0.094 0.000 0.766 601 E CB 2.297 32.038 29.700 0.068 0.000 1.196 601 E HN 0.395 nan 8.360 nan 0.000 0.416 602 V N 4.495 124.483 119.914 0.123 0.000 2.378 602 V HA 0.350 4.469 4.120 -0.001 0.000 0.288 602 V C -0.540 175.650 176.094 0.161 0.000 1.016 602 V CA -0.691 61.678 62.300 0.116 0.000 0.840 602 V CB 1.052 32.932 31.823 0.094 0.000 0.994 602 V HN 0.538 nan 8.190 nan 0.000 0.431 603 I N 4.714 125.346 120.570 0.104 0.000 2.336 603 I HA 0.758 4.927 4.170 -0.001 0.000 0.292 603 I C 0.478 176.673 176.117 0.131 0.000 0.991 603 I CA 0.284 61.651 61.300 0.113 0.000 1.227 603 I CB 1.550 39.580 38.000 0.050 0.000 1.366 603 I HN 0.717 nan 8.210 nan 0.000 0.466 604 A N 5.506 128.461 122.820 0.224 0.000 2.485 604 A HA 0.967 5.286 4.320 -0.001 0.000 0.292 604 A C -0.886 176.870 177.584 0.288 0.000 1.147 604 A CA -0.619 51.563 52.037 0.242 0.000 0.750 604 A CB 1.944 21.113 19.000 0.283 0.000 1.331 604 A HN 0.762 nan 8.150 nan 0.000 0.419 605 V N -0.516 119.546 119.914 0.247 0.000 2.914 605 V HA 0.628 4.747 4.120 -0.001 0.000 0.314 605 V C -0.392 175.874 176.094 0.287 0.000 1.084 605 V CA -1.095 61.312 62.300 0.178 0.000 0.963 605 V CB 1.911 33.781 31.823 0.079 0.000 1.025 605 V HN 0.882 nan 8.190 nan 0.000 0.432 606 N N 2.430 121.299 118.700 0.282 0.000 2.475 606 N HA 0.106 4.845 4.740 -0.001 0.000 0.267 606 N C 1.214 176.819 175.510 0.158 0.000 1.169 606 N CA 0.765 54.002 53.050 0.312 0.000 0.947 606 N CB 1.817 40.456 38.487 0.253 0.000 1.061 606 N HN 1.099 nan 8.380 nan 0.000 0.466 607 T N 1.165 115.796 114.554 0.128 0.000 3.113 607 T HA 0.127 4.477 4.350 -0.001 0.000 0.256 607 T C 1.264 176.028 174.700 0.105 0.000 1.131 607 T CA 0.477 62.653 62.100 0.126 0.000 1.074 607 T CB 0.163 69.106 68.868 0.125 0.000 0.944 607 T HN 0.359 nan 8.240 nan 0.000 0.516 608 R N 0.654 121.207 120.500 0.089 0.000 2.265 608 R HA 0.336 4.675 4.340 -0.001 0.000 0.194 608 R C 0.095 176.429 176.300 0.057 0.000 0.931 608 R CA 0.129 56.270 56.100 0.069 0.000 1.032 608 R CB 0.453 30.789 30.300 0.061 0.000 0.980 608 R HN 0.302 nan 8.270 nan 0.000 0.497 609 S N 0.019 115.755 115.700 0.059 0.000 2.479 609 S HA 0.020 4.489 4.470 -0.001 0.000 0.169 609 S C 0.512 175.124 174.600 0.019 0.000 1.181 609 S CA -0.374 57.845 58.200 0.032 0.000 1.169 609 S CB 1.247 64.459 63.200 0.020 0.000 1.384 609 S HN 0.283 nan 8.310 nan 0.000 0.412 610 T N -0.720 113.851 114.554 0.028 0.000 3.093 610 T HA -0.140 4.209 4.350 -0.001 0.000 0.270 610 T C 1.920 176.609 174.700 -0.018 0.000 1.170 610 T CA 1.400 63.512 62.100 0.021 0.000 1.072 610 T CB -0.475 68.413 68.868 0.034 0.000 0.863 610 T HN 0.560 nan 8.240 nan 0.000 0.562 611 S N 1.705 117.385 115.700 -0.033 0.000 2.345 611 S HA -0.099 4.371 4.470 -0.001 0.000 0.219 611 S C 1.150 175.687 174.600 -0.105 0.000 1.031 611 S CA -0.100 58.068 58.200 -0.054 0.000 0.984 611 S CB -0.680 62.494 63.200 -0.044 0.000 0.874 611 S HN 0.879 nan 8.310 nan 0.000 0.451 612 Q N 2.292 122.003 119.800 -0.149 0.000 2.304 612 Q HA 0.489 4.828 4.340 -0.001 0.000 0.260 612 Q C -0.133 175.589 176.000 -0.463 0.000 0.965 612 Q CA -0.345 55.283 55.803 -0.292 0.000 0.898 612 Q CB 0.556 29.105 28.738 -0.316 0.000 1.196 612 Q HN 0.446 nan 8.270 nan 0.000 0.402 613 T N -0.386 113.860 114.554 -0.514 0.000 2.938 613 T HA 0.760 5.109 4.350 -0.001 0.000 0.285 613 T C -0.692 173.530 174.700 -0.797 0.000 1.028 613 T CA -0.700 61.103 62.100 -0.495 0.000 1.005 613 T CB 0.830 69.577 68.868 -0.201 0.000 1.157 613 T HN 0.480 nan 8.240 nan 0.000 0.550 614 F N -0.660 119.260 119.950 -0.049 0.000 2.588 614 F HA 0.690 5.216 4.527 -0.001 0.000 0.310 614 F C -0.484 175.211 175.800 -0.174 0.000 1.082 614 F CA -1.355 56.547 58.000 -0.165 0.000 0.929 614 F CB 2.051 40.971 39.000 -0.135 0.000 1.254 614 F HN 0.480 nan 8.300 nan 0.000 0.455 615 I N 2.860 123.348 120.570 -0.137 0.000 2.468 615 I HA 0.292 4.461 4.170 -0.001 0.000 0.284 615 I C -1.563 174.438 176.117 -0.195 0.000 1.038 615 I CA -0.648 60.604 61.300 -0.081 0.000 1.083 615 I CB 1.309 39.277 38.000 -0.053 0.000 1.223 615 I HN 0.483 nan 8.210 nan 0.000 0.443 616 Y N 5.428 125.759 120.300 0.052 0.000 2.331 616 Y HA 0.423 4.972 4.550 -0.000 0.000 0.338 616 Y C 0.284 176.195 175.900 0.017 0.000 0.976 616 Y CA -0.656 57.459 58.100 0.024 0.000 1.137 616 Y CB 1.308 39.767 38.460 -0.001 0.000 1.172 616 Y HN 0.352 nan 8.280 nan 0.000 0.478 617 K N 3.525 124.007 120.400 0.136 0.000 2.098 617 K HA 0.765 5.084 4.320 -0.001 0.000 0.261 617 K C -0.687 175.964 176.600 0.085 0.000 0.987 617 K CA -0.547 55.795 56.287 0.092 0.000 0.916 617 K CB 1.106 33.641 32.500 0.058 0.000 1.039 617 K HN 0.858 nan 8.250 nan 0.000 0.455 618 C N -1.709 117.630 119.300 0.064 0.000 3.275 618 C HA 0.286 4.745 4.460 -0.001 0.000 0.340 618 C C 0.317 175.326 174.990 0.032 0.000 1.366 618 C CA -0.894 58.142 59.018 0.029 0.000 1.227 618 C CB 0.746 28.487 27.740 0.001 0.000 1.512 618 C HN 0.885 nan 8.230 nan 0.000 0.461 619 D N 0.925 121.316 120.400 -0.016 0.000 2.271 619 D HA 0.335 4.975 4.640 -0.001 0.000 0.206 619 D C 0.718 177.007 176.300 -0.018 0.000 0.967 619 D CA 1.593 55.608 54.000 0.027 0.000 0.867 619 D CB 0.598 41.407 40.800 0.014 0.000 0.960 619 D HN 1.051 nan 8.370 nan 0.000 0.509 620 A N 0.445 123.172 122.820 -0.155 0.000 2.574 620 A HA 0.528 4.847 4.320 -0.001 0.000 0.297 620 A C -1.214 176.353 177.584 -0.029 0.000 1.062 620 A CA -0.575 51.425 52.037 -0.060 0.000 0.686 620 A CB 1.959 20.773 19.000 -0.309 0.000 1.285 620 A HN -0.084 nan 8.150 nan 0.000 0.403 621 V N 1.779 121.732 119.914 0.065 0.000 2.495 621 V HA 0.571 4.690 4.120 -0.001 0.000 0.298 621 V C -0.897 175.203 176.094 0.011 0.000 1.031 621 V CA -0.503 61.798 62.300 0.001 0.000 0.871 621 V CB 1.485 33.303 31.823 -0.008 0.000 0.988 621 V HN 0.851 nan 8.190 nan 0.000 0.432 622 L N 5.950 127.141 121.223 -0.052 0.000 2.295 622 L HA 0.575 4.914 4.340 -0.001 0.000 0.281 622 L C -0.324 176.481 176.870 -0.108 0.000 1.018 622 L CA -0.056 54.745 54.840 -0.066 0.000 0.841 622 L CB 0.858 42.868 42.059 -0.083 0.000 1.218 622 L HN 0.831 nan 8.230 nan 0.000 0.424 623 C N 4.286 123.461 119.300 -0.208 0.000 2.281 623 C HA 0.537 4.996 4.460 -0.001 0.000 0.336 623 C C 1.505 176.520 174.990 0.042 0.000 1.217 623 C CA 0.235 59.186 59.018 -0.111 0.000 1.730 623 C CB -0.679 26.934 27.740 -0.213 0.000 2.338 623 C HN 0.962 nan 8.230 nan 0.000 0.521 624 T N 4.274 118.874 114.554 0.076 0.000 3.215 624 T HA 0.270 4.619 4.350 -0.001 0.000 0.271 624 T C 0.274 175.084 174.700 0.183 0.000 1.012 624 T CA -0.311 61.871 62.100 0.137 0.000 0.899 624 T CB -0.446 68.464 68.868 0.070 0.000 1.089 624 T HN 0.656 nan 8.240 nan 0.000 0.552 625 L N 2.123 123.455 121.223 0.182 0.000 2.525 625 L HA 0.273 4.612 4.340 -0.001 0.000 0.278 625 L C -2.100 174.810 176.870 0.068 0.000 1.218 625 L CA -1.828 53.093 54.840 0.135 0.000 0.878 625 L CB -0.034 42.113 42.059 0.146 0.000 1.127 625 L HN 0.067 nan 8.230 nan 0.000 0.492 626 P HA -0.064 nan 4.420 nan 0.000 0.269 626 P C 0.462 177.366 177.300 -0.660 0.000 1.209 626 P CA -0.386 62.559 63.100 -0.258 0.000 0.776 626 P CB 0.616 32.262 31.700 -0.089 0.000 0.876 627 L N 3.727 124.255 121.223 -1.158 0.000 2.129 627 L HA -0.114 4.226 4.340 -0.001 0.000 0.212 627 L C 2.085 178.355 176.870 -1.000 0.000 1.087 627 L CA 2.482 56.677 54.840 -1.075 0.000 0.757 627 L CB -1.581 39.967 42.059 -0.851 0.000 0.896 627 L HN 0.517 nan 8.230 nan 0.000 0.434 628 G N -1.311 106.516 108.800 -1.620 0.000 2.422 628 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.218 628 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.218 628 G C 1.484 176.184 174.900 -0.334 0.000 1.146 628 G CA 1.015 45.597 45.100 -0.864 0.000 0.769 628 G HN 0.358 nan 8.290 nan 0.000 0.547 629 V N 0.747 120.497 119.914 -0.273 0.000 2.488 629 V HA -0.009 4.110 4.120 -0.001 0.000 0.246 629 V C 2.821 178.871 176.094 -0.074 0.000 1.046 629 V CA 1.009 63.253 62.300 -0.094 0.000 1.053 629 V CB -0.263 31.562 31.823 0.003 0.000 0.679 629 V HN 0.330 nan 8.190 nan 0.000 0.458 630 L N -0.397 120.752 121.223 -0.123 0.000 2.201 630 L HA -0.147 4.192 4.340 -0.001 0.000 0.212 630 L C 2.365 179.193 176.870 -0.070 0.000 1.105 630 L CA 1.490 56.303 54.840 -0.046 0.000 0.775 630 L CB -0.492 41.517 42.059 -0.083 0.000 0.913 630 L HN 0.294 nan 8.230 nan 0.000 0.440 631 K N -0.415 119.906 120.400 -0.132 0.000 2.365 631 K HA -0.044 4.275 4.320 -0.001 0.000 0.197 631 K C 0.817 177.385 176.600 -0.054 0.000 1.042 631 K CA -0.077 56.152 56.287 -0.097 0.000 0.987 631 K CB 0.069 32.502 32.500 -0.113 0.000 0.779 631 K HN 0.224 nan 8.250 nan 0.000 0.484 632 Q N 1.696 121.467 119.800 -0.049 0.000 2.304 632 Q HA -0.118 4.221 4.340 -0.001 0.000 0.315 632 Q C -0.769 175.221 176.000 -0.016 0.000 1.075 632 Q CA 0.789 56.575 55.803 -0.028 0.000 0.988 632 Q CB 0.463 29.185 28.738 -0.027 0.000 1.146 632 Q HN 0.018 nan 8.270 nan 0.000 0.383 633 Q N 4.361 124.152 119.800 -0.015 0.000 2.275 633 Q HA 0.394 4.733 4.340 -0.001 0.000 0.266 633 Q C -2.284 173.708 176.000 -0.013 0.000 1.002 633 Q CA -1.723 54.074 55.803 -0.011 0.000 0.761 633 Q CB 1.591 30.323 28.738 -0.011 0.000 1.255 633 Q HN 0.634 nan 8.270 nan 0.000 0.446 634 P HA 0.212 nan 4.420 nan 0.000 0.272 634 P C -2.451 174.845 177.300 -0.006 0.000 1.223 634 P CA -0.950 62.146 63.100 -0.007 0.000 0.784 634 P CB -0.078 31.618 31.700 -0.008 0.000 0.923 635 P HA -0.074 nan 4.420 nan 0.000 0.264 635 P C 0.022 177.323 177.300 0.001 0.000 1.183 635 P CA 0.250 63.357 63.100 0.011 0.000 0.763 635 P CB 0.778 32.497 31.700 0.031 0.000 0.807 636 A N 4.270 127.092 122.820 0.004 0.000 1.897 636 A HA 0.047 4.366 4.320 -0.001 0.000 0.215 636 A C 1.121 178.706 177.584 0.001 0.000 1.181 636 A CA 1.594 53.638 52.037 0.012 0.000 0.620 636 A CB -0.515 18.505 19.000 0.034 0.000 0.821 636 A HN 0.556 nan 8.150 nan 0.000 0.443 637 V N -1.389 118.500 119.914 -0.041 0.000 2.735 637 V HA 0.595 4.714 4.120 -0.001 0.000 0.310 637 V C -0.845 175.107 176.094 -0.236 0.000 1.061 637 V CA -0.872 61.340 62.300 -0.148 0.000 0.913 637 V CB 1.632 33.322 31.823 -0.222 0.000 1.005 637 V HN 0.475 nan 8.190 nan 0.000 0.428 638 Q N 3.251 122.906 119.800 -0.242 0.000 2.245 638 Q HA 0.556 4.895 4.340 -0.001 0.000 0.256 638 Q C -1.904 173.923 176.000 -0.289 0.000 0.942 638 Q CA -0.655 55.048 55.803 -0.167 0.000 0.896 638 Q CB 1.673 30.378 28.738 -0.056 0.000 1.272 638 Q HN 0.792 nan 8.270 nan 0.000 0.442 639 F N 2.397 122.400 119.950 0.089 0.000 2.427 639 F HA 0.420 4.946 4.527 -0.001 0.000 0.346 639 F C -0.501 175.385 175.800 0.143 0.000 1.120 639 F CA -0.670 57.432 58.000 0.169 0.000 1.033 639 F CB 1.822 40.938 39.000 0.194 0.000 1.126 639 F HN 0.205 nan 8.300 nan 0.000 0.462 640 V N 5.380 125.459 119.914 0.275 0.000 2.409 640 V HA 0.364 4.483 4.120 -0.001 0.000 0.290 640 V C -2.283 173.611 176.094 -0.334 0.000 1.017 640 V CA -2.102 60.211 62.300 0.021 0.000 0.841 640 V CB 1.467 33.285 31.823 -0.007 0.000 1.003 640 V HN 0.496 nan 8.190 nan 0.000 0.426 641 P HA 0.247 nan 4.420 nan 0.000 0.271 641 P C -2.684 174.675 177.300 0.099 0.000 1.244 641 P CA -1.212 61.788 63.100 -0.166 0.000 0.793 641 P CB -0.113 31.473 31.700 -0.190 0.000 0.984 642 P HA 0.124 nan 4.420 nan 0.000 0.274 642 P C -0.309 177.053 177.300 0.103 0.000 1.231 642 P CA -0.026 63.162 63.100 0.146 0.000 0.790 642 P CB 0.295 32.034 31.700 0.065 0.000 0.951 643 L N 3.240 124.466 121.223 0.004 0.000 2.483 643 L HA 0.129 4.468 4.340 -0.001 0.000 0.275 643 L C -1.716 174.993 176.870 -0.268 0.000 1.220 643 L CA -1.480 53.231 54.840 -0.216 0.000 0.833 643 L CB -0.704 41.092 42.059 -0.438 0.000 1.102 643 L HN 0.285 nan 8.230 nan 0.000 0.490 644 P HA -0.052 nan 4.420 nan 0.000 0.270 644 P C 0.420 177.411 177.300 -0.514 0.000 1.227 644 P CA -0.271 62.522 63.100 -0.512 0.000 0.788 644 P CB 0.494 31.621 31.700 -0.956 0.000 0.926 645 E N 1.608 121.634 120.200 -0.290 0.000 2.150 645 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 645 E C 1.453 177.967 176.600 -0.142 0.000 0.985 645 E CA 1.363 57.667 56.400 -0.161 0.000 0.814 645 E CB -0.276 29.403 29.700 -0.036 0.000 0.752 645 E HN 0.647 nan 8.360 nan 0.000 0.466 646 W N 1.025 122.283 121.300 -0.069 0.000 2.595 646 W HA -0.001 4.658 4.660 -0.001 0.000 0.257 646 W C 1.545 177.991 176.519 -0.121 0.000 1.267 646 W CA 0.721 58.016 57.345 -0.084 0.000 1.300 646 W CB -0.401 29.015 29.460 -0.074 0.000 1.120 646 W HN -0.019 nan 8.180 nan 0.000 0.618 647 K N 2.060 122.039 120.400 -0.701 0.000 2.141 647 K HA -0.068 4.251 4.320 -0.001 0.000 0.202 647 K C 2.405 178.767 176.600 -0.398 0.000 1.045 647 K CA 2.690 58.571 56.287 -0.677 0.000 0.971 647 K CB -0.840 30.977 32.500 -1.138 0.000 0.795 647 K HN 0.010 nan 8.250 nan 0.000 0.459 648 T N -1.295 113.045 114.554 -0.358 0.000 2.867 648 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 648 T C 1.988 176.596 174.700 -0.152 0.000 1.057 648 T CA 1.489 63.453 62.100 -0.227 0.000 1.136 648 T CB -0.649 68.114 68.868 -0.176 0.000 0.874 648 T HN 0.265 nan 8.240 nan 0.000 0.466 649 S N 2.456 118.082 115.700 -0.123 0.000 2.368 649 S HA 0.139 4.608 4.470 -0.001 0.000 0.224 649 S C 2.506 177.061 174.600 -0.075 0.000 1.029 649 S CA 0.728 58.885 58.200 -0.070 0.000 0.988 649 S CB -1.011 62.174 63.200 -0.026 0.000 0.838 649 S HN 0.726 nan 8.310 nan 0.000 0.462 650 A N 1.569 124.341 122.820 -0.081 0.000 1.902 650 A HA 0.068 4.388 4.320 -0.001 0.000 0.217 650 A C 2.418 179.916 177.584 -0.143 0.000 1.181 650 A CA 1.612 53.591 52.037 -0.096 0.000 0.623 650 A CB -1.180 17.775 19.000 -0.075 0.000 0.818 650 A HN 0.442 nan 8.150 nan 0.000 0.443 651 V N -0.032 119.784 119.914 -0.162 0.000 2.407 651 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 651 V C 2.612 178.622 176.094 -0.139 0.000 1.055 651 V CA 2.313 64.512 62.300 -0.168 0.000 1.049 651 V CB -0.816 30.900 31.823 -0.179 0.000 0.662 651 V HN 0.663 nan 8.190 nan 0.000 0.455 652 Q N -0.806 118.927 119.800 -0.112 0.000 2.123 652 Q HA -0.099 4.240 4.340 -0.001 0.000 0.199 652 Q C 2.509 178.461 176.000 -0.080 0.000 0.966 652 Q CA 1.100 56.852 55.803 -0.084 0.000 0.845 652 Q CB -0.139 28.561 28.738 -0.064 0.000 0.907 652 Q HN 0.554 nan 8.270 nan 0.000 0.439 653 R N 0.164 120.613 120.500 -0.085 0.000 2.066 653 R HA 0.016 4.355 4.340 -0.001 0.000 0.232 653 R C 0.735 176.966 176.300 -0.115 0.000 1.131 653 R CA 0.536 56.590 56.100 -0.077 0.000 0.955 653 R CB -0.169 30.092 30.300 -0.066 0.000 0.851 653 R HN 0.251 nan 8.270 nan 0.000 0.432 654 M N 0.698 120.197 119.600 -0.169 0.000 2.250 654 M HA 0.004 4.483 4.480 -0.001 0.000 0.337 654 M C 0.742 176.870 176.300 -0.287 0.000 1.161 654 M CA 0.222 55.376 55.300 -0.244 0.000 1.088 654 M CB 0.548 32.968 32.600 -0.299 0.000 1.639 654 M HN 0.120 nan 8.290 nan 0.000 0.447 655 G N 1.955 110.433 108.800 -0.536 0.000 2.420 655 G HA2 0.558 4.517 3.960 -0.001 0.000 0.284 655 G HA3 0.558 4.517 3.960 -0.001 0.000 0.284 655 G C -1.720 172.830 174.900 -0.584 0.000 1.177 655 G CA -0.329 44.160 45.100 -1.019 0.000 0.841 655 G HN 0.576 nan 8.290 nan 0.000 0.527 656 F N 1.694 121.430 119.950 -0.356 0.000 2.553 656 F HA 0.598 5.124 4.527 -0.001 0.000 0.335 656 F C 0.585 176.476 175.800 0.152 0.000 1.148 656 F CA -0.893 57.069 58.000 -0.064 0.000 0.963 656 F CB 1.417 40.378 39.000 -0.066 0.000 1.217 656 F HN 0.698 nan 8.300 nan 0.000 0.441 657 G N 3.548 112.219 108.800 -0.215 0.000 2.508 657 G HA2 0.294 4.253 3.960 -0.001 0.000 0.278 657 G HA3 0.294 4.253 3.960 -0.001 0.000 0.278 657 G C -1.289 173.368 174.900 -0.405 0.000 1.389 657 G CA -0.707 44.267 45.100 -0.210 0.000 1.050 657 G HN 0.698 nan 8.290 nan 0.000 0.522 658 N N -2.004 116.511 118.700 -0.308 0.000 2.331 658 N HA 0.524 5.263 4.740 -0.001 0.000 0.280 658 N C -2.226 173.186 175.510 -0.165 0.000 1.155 658 N CA -0.640 52.292 53.050 -0.197 0.000 0.822 658 N CB 2.368 40.821 38.487 -0.057 0.000 1.619 658 N HN 0.425 nan 8.380 nan 0.000 0.476 659 L N 2.209 123.395 121.223 -0.062 0.000 2.666 659 L HA 0.546 4.885 4.340 -0.001 0.000 0.259 659 L C -2.044 174.921 176.870 0.159 0.000 0.919 659 L CA -0.504 54.359 54.840 0.037 0.000 0.927 659 L CB 1.917 44.007 42.059 0.052 0.000 1.423 659 L HN 0.606 nan 8.230 nan 0.000 0.426 660 N N 3.015 121.806 118.700 0.152 0.000 2.380 660 N HA 0.654 5.393 4.740 -0.001 0.000 0.290 660 N C -1.504 174.057 175.510 0.086 0.000 1.236 660 N CA -0.756 52.405 53.050 0.185 0.000 0.780 660 N CB 2.613 41.166 38.487 0.111 0.000 1.438 660 N HN 0.553 nan 8.380 nan 0.000 0.491 661 K N 0.164 120.603 120.400 0.064 0.000 2.477 661 K HA 0.626 4.945 4.320 -0.001 0.000 0.255 661 K C -1.281 175.281 176.600 -0.063 0.000 0.952 661 K CA -0.788 55.483 56.287 -0.028 0.000 0.826 661 K CB 2.611 35.097 32.500 -0.022 0.000 1.331 661 K HN 0.113 nan 8.250 nan 0.000 0.437 662 V N 2.243 122.094 119.914 -0.105 0.000 2.444 662 V HA 0.264 4.383 4.120 -0.001 0.000 0.294 662 V C -0.634 175.384 176.094 -0.127 0.000 1.022 662 V CA -0.942 61.289 62.300 -0.116 0.000 0.850 662 V CB 1.692 33.454 31.823 -0.101 0.000 0.992 662 V HN 0.470 nan 8.190 nan 0.000 0.426 663 V N 6.869 126.680 119.914 -0.170 0.000 2.383 663 V HA 0.428 4.547 4.120 -0.001 0.000 0.275 663 V C -0.111 175.835 176.094 -0.247 0.000 1.036 663 V CA -0.347 61.837 62.300 -0.194 0.000 0.889 663 V CB 1.268 32.926 31.823 -0.275 0.000 0.985 663 V HN 0.631 nan 8.190 nan 0.000 0.459 664 L N 4.985 126.078 121.223 -0.217 0.000 2.294 664 L HA 0.474 4.813 4.340 -0.001 0.000 0.283 664 L C -0.569 175.990 176.870 -0.519 0.000 1.015 664 L CA -0.205 54.398 54.840 -0.393 0.000 0.831 664 L CB 1.358 43.250 42.059 -0.279 0.000 1.217 664 L HN 0.577 nan 8.230 nan 0.000 0.420 665 C N 3.666 122.602 119.300 -0.607 0.000 2.239 665 C HA 0.594 5.053 4.460 -0.001 0.000 0.325 665 C C 0.201 174.909 174.990 -0.471 0.000 1.231 665 C CA -0.679 58.003 59.018 -0.560 0.000 1.652 665 C CB -0.709 26.494 27.740 -0.895 0.000 2.284 665 C HN 0.475 nan 8.230 nan 0.000 0.499 666 F N 1.952 121.996 119.950 0.156 0.000 2.518 666 F HA 0.410 4.937 4.527 -0.001 0.000 0.338 666 F C 1.368 177.351 175.800 0.306 0.000 1.065 666 F CA -0.710 57.446 58.000 0.260 0.000 1.012 666 F CB 0.876 40.124 39.000 0.414 0.000 1.297 666 F HN 0.535 nan 8.300 nan 0.000 0.489 667 D N -1.066 119.615 120.400 0.469 0.000 2.398 667 D HA 0.137 4.777 4.640 -0.001 0.000 0.210 667 D C -0.036 176.394 176.300 0.217 0.000 1.094 667 D CA 0.142 54.334 54.000 0.321 0.000 0.839 667 D CB 0.196 41.137 40.800 0.235 0.000 0.963 667 D HN 0.406 nan 8.370 nan 0.000 0.506 668 R N -0.326 120.305 120.500 0.220 0.000 2.698 668 R HA 0.565 4.904 4.340 -0.001 0.000 0.275 668 R C -1.450 174.757 176.300 -0.154 0.000 1.001 668 R CA -0.954 55.169 56.100 0.039 0.000 0.896 668 R CB 2.826 33.146 30.300 0.033 0.000 1.218 668 R HN -0.183 nan 8.270 nan 0.000 0.462 669 V N 4.069 123.708 119.914 -0.458 0.000 2.348 669 V HA 0.177 4.296 4.120 -0.001 0.000 0.270 669 V C 0.202 175.703 176.094 -0.987 0.000 1.037 669 V CA -0.126 61.435 62.300 -1.232 0.000 0.872 669 V CB 0.358 31.503 31.823 -1.130 0.000 1.002 669 V HN 0.764 nan 8.190 nan 0.000 0.464 670 F N 2.369 121.746 119.950 -0.956 0.000 2.678 670 F HA 0.428 4.954 4.527 -0.001 0.000 0.305 670 F C 0.531 175.869 175.800 -0.770 0.000 1.090 670 F CA -1.375 56.236 58.000 -0.649 0.000 1.272 670 F CB -0.468 38.229 39.000 -0.505 0.000 1.060 670 F HN 0.461 nan 8.300 nan 0.000 0.576 671 W N 0.584 121.292 121.300 -0.988 0.000 2.353 671 W HA 0.521 5.180 4.660 -0.001 0.000 0.377 671 W C -0.319 175.977 176.519 -0.371 0.000 1.375 671 W CA -1.373 55.419 57.345 -0.922 0.000 1.503 671 W CB -0.028 28.949 29.460 -0.804 0.000 1.345 671 W HN -0.222 nan 8.180 nan 0.000 0.683 672 D N 2.436 122.882 120.400 0.077 0.000 2.352 672 D HA 0.124 4.764 4.640 -0.001 0.000 0.245 672 D C -0.950 175.446 176.300 0.159 0.000 1.224 672 D CA -2.403 51.640 54.000 0.072 0.000 0.879 672 D CB 1.094 41.965 40.800 0.118 0.000 1.057 672 D HN 0.135 nan 8.370 nan 0.000 0.491 673 P HA -0.138 nan 4.420 nan 0.000 0.226 673 P C 0.834 178.204 177.300 0.116 0.000 1.146 673 P CA 0.675 63.822 63.100 0.078 0.000 0.773 673 P CB 0.193 31.864 31.700 -0.049 0.000 0.772 674 S N -1.842 113.914 115.700 0.093 0.000 2.548 674 S HA 0.106 4.575 4.470 -0.001 0.000 0.215 674 S C 0.760 175.422 174.600 0.103 0.000 0.976 674 S CA -0.278 57.971 58.200 0.082 0.000 0.908 674 S CB -0.552 62.680 63.200 0.053 0.000 0.781 674 S HN -0.098 nan 8.310 nan 0.000 0.519 675 V N 2.999 123.002 119.914 0.148 0.000 2.370 675 V HA 0.315 4.434 4.120 -0.001 0.000 0.279 675 V C 0.672 176.874 176.094 0.180 0.000 1.029 675 V CA -0.650 61.745 62.300 0.159 0.000 0.870 675 V CB 1.020 32.962 31.823 0.197 0.000 0.984 675 V HN 0.389 nan 8.190 nan 0.000 0.451 676 N N 3.561 122.326 118.700 0.110 0.000 2.300 676 N HA 0.120 4.859 4.740 -0.001 0.000 0.179 676 N C -0.045 175.458 175.510 -0.012 0.000 1.016 676 N CA 0.692 53.785 53.050 0.072 0.000 0.876 676 N CB 0.221 38.734 38.487 0.043 0.000 0.979 676 N HN 0.628 nan 8.380 nan 0.000 0.432 677 L N -2.012 119.182 121.223 -0.048 0.000 2.465 677 L HA 0.641 4.981 4.340 -0.001 0.000 0.257 677 L C -1.523 175.379 176.870 0.053 0.000 0.988 677 L CA -1.401 53.310 54.840 -0.216 0.000 0.827 677 L CB 1.524 43.199 42.059 -0.640 0.000 1.397 677 L HN -0.151 nan 8.230 nan 0.000 0.410 678 F N -1.155 118.776 119.950 -0.032 0.000 2.619 678 F HA 0.951 5.477 4.527 -0.001 0.000 0.308 678 F C -0.123 175.767 175.800 0.151 0.000 1.097 678 F CA -0.779 57.263 58.000 0.069 0.000 0.953 678 F CB 1.558 40.677 39.000 0.198 0.000 1.287 678 F HN 0.669 nan 8.300 nan 0.000 0.446 679 G N 0.181 109.119 108.800 0.230 0.000 2.441 679 G HA2 0.497 4.457 3.960 -0.001 0.000 0.334 679 G HA3 0.497 4.457 3.960 -0.001 0.000 0.334 679 G C -2.269 172.870 174.900 0.398 0.000 1.161 679 G CA -0.861 44.407 45.100 0.281 0.000 0.935 679 G HN 1.096 nan 8.290 nan 0.000 0.488 680 H N 0.382 119.729 119.070 0.462 0.000 2.587 680 H HA 0.505 5.060 4.556 -0.001 0.000 0.325 680 H C -0.703 174.885 175.328 0.433 0.000 1.012 680 H CA -0.657 55.636 56.048 0.409 0.000 1.213 680 H CB 1.318 31.376 29.762 0.492 0.000 1.431 680 H HN 0.256 nan 8.280 nan 0.000 0.492 681 V N 5.836 125.639 119.914 -0.185 0.000 2.427 681 V HA 0.316 4.435 4.120 -0.001 0.000 0.268 681 V C 1.384 177.275 176.094 -0.339 0.000 1.046 681 V CA 0.268 62.502 62.300 -0.110 0.000 0.970 681 V CB 0.753 32.523 31.823 -0.087 0.000 1.001 681 V HN 1.013 nan 8.190 nan 0.000 0.476 682 G N 3.622 112.335 108.800 -0.145 0.000 2.634 682 G HA2 0.312 4.271 3.960 -0.001 0.000 0.255 682 G HA3 0.312 4.271 3.960 -0.001 0.000 0.255 682 G C 0.930 175.834 174.900 0.007 0.000 1.205 682 G CA 0.065 45.129 45.100 -0.061 0.000 0.884 682 G HN 0.709 nan 8.290 nan 0.000 0.549 683 S N -1.006 114.725 115.700 0.052 0.000 2.395 683 S HA 0.048 4.518 4.470 -0.001 0.000 0.225 683 S C 1.382 176.012 174.600 0.050 0.000 1.027 683 S CA 1.137 59.369 58.200 0.052 0.000 0.965 683 S CB -0.133 63.106 63.200 0.067 0.000 0.812 683 S HN 1.040 nan 8.310 nan 0.000 0.482 684 T N -1.325 113.261 114.554 0.055 0.000 2.924 684 T HA 0.438 4.788 4.350 -0.001 0.000 0.291 684 T C 0.863 175.593 174.700 0.050 0.000 1.045 684 T CA -0.556 61.574 62.100 0.050 0.000 1.015 684 T CB 1.498 70.393 68.868 0.045 0.000 1.103 684 T HN -0.091 nan 8.240 nan 0.000 0.496 685 T N 1.518 116.104 114.554 0.052 0.000 2.684 685 T HA -0.065 4.285 4.350 -0.001 0.000 0.267 685 T C 2.401 177.118 174.700 0.029 0.000 1.036 685 T CA 1.730 63.864 62.100 0.055 0.000 1.148 685 T CB -0.861 68.043 68.868 0.060 0.000 0.863 685 T HN 0.853 nan 8.240 nan 0.000 0.436 686 A N 1.205 124.038 122.820 0.022 0.000 1.940 686 A HA -0.075 4.245 4.320 -0.001 0.000 0.219 686 A C 2.245 179.833 177.584 0.007 0.000 1.176 686 A CA 1.729 53.772 52.037 0.008 0.000 0.631 686 A CB -0.424 18.584 19.000 0.012 0.000 0.814 686 A HN 0.448 nan 8.150 nan 0.000 0.446 687 S N -0.769 114.945 115.700 0.024 0.000 2.574 687 S HA 0.097 4.567 4.470 -0.001 0.000 0.242 687 S C 1.433 176.056 174.600 0.038 0.000 0.982 687 S CA 0.066 58.287 58.200 0.034 0.000 0.977 687 S CB -0.007 63.228 63.200 0.058 0.000 0.814 687 S HN 0.773 nan 8.310 nan 0.000 0.464 688 R N 1.284 121.789 120.500 0.008 0.000 2.200 688 R HA -0.042 4.297 4.340 -0.001 0.000 0.234 688 R C 1.648 177.896 176.300 -0.087 0.000 1.127 688 R CA 1.575 57.667 56.100 -0.014 0.000 0.989 688 R CB -0.736 29.545 30.300 -0.032 0.000 0.869 688 R HN 0.306 nan 8.270 nan 0.000 0.459 689 G N 0.882 109.613 108.800 -0.115 0.000 3.042 689 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.212 689 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.212 689 G C -0.060 174.898 174.900 0.095 0.000 1.166 689 G CA -0.467 44.526 45.100 -0.179 0.000 0.767 689 G HN 0.419 nan 8.290 nan 0.000 0.546 690 E N 1.205 121.487 120.200 0.138 0.000 2.166 690 E HA 0.255 4.604 4.350 -0.001 0.000 0.279 690 E C 0.501 177.255 176.600 0.256 0.000 1.095 690 E CA -0.483 56.019 56.400 0.170 0.000 0.888 690 E CB -0.035 29.750 29.700 0.142 0.000 1.041 690 E HN 0.216 nan 8.360 nan 0.000 0.414 691 L N 5.148 126.462 121.223 0.151 0.000 3.829 691 L HA -0.288 4.051 4.340 -0.001 0.000 0.440 691 L C 0.750 177.701 176.870 0.135 0.000 1.192 691 L CA 0.021 54.851 54.840 -0.016 0.000 0.848 691 L CB -1.885 40.158 42.059 -0.028 0.000 1.744 691 L HN 0.642 nan 8.230 nan 0.000 0.920 692 F N -0.890 119.104 119.950 0.073 0.000 2.558 692 F HA 0.423 4.949 4.527 -0.001 0.000 0.298 692 F C 0.480 176.453 175.800 0.288 0.000 1.119 692 F CA 0.066 58.202 58.000 0.226 0.000 1.451 692 F CB 0.127 39.128 39.000 0.001 0.000 1.091 692 F HN 0.095 nan 8.300 nan 0.000 0.563 693 L N 0.409 121.029 121.223 -1.005 0.000 2.436 693 L HA 0.568 4.907 4.340 -0.001 0.000 0.268 693 L C -1.794 174.666 176.870 -0.683 0.000 0.974 693 L CA -1.166 53.181 54.840 -0.821 0.000 0.826 693 L CB 1.726 42.989 42.059 -1.326 0.000 1.291 693 L HN -0.005 nan 8.230 nan 0.000 0.406 694 F N 2.999 122.571 119.950 -0.631 0.000 2.495 694 F HA 0.595 5.121 4.527 -0.001 0.000 0.327 694 F C -0.992 174.457 175.800 -0.584 0.000 1.103 694 F CA -0.119 57.496 58.000 -0.641 0.000 0.949 694 F CB 1.662 39.899 39.000 -1.273 0.000 1.142 694 F HN 0.366 nan 8.300 nan 0.000 0.457 695 W N 2.274 123.411 121.300 -0.271 0.000 2.587 695 W HA 0.358 5.018 4.660 -0.001 0.000 0.324 695 W C -0.427 175.997 176.519 -0.157 0.000 1.040 695 W CA -0.991 56.247 57.345 -0.178 0.000 1.222 695 W CB 1.268 30.647 29.460 -0.135 0.000 1.381 695 W HN 0.357 nan 8.180 nan 0.000 0.483 696 N N 3.345 122.094 118.700 0.081 0.000 2.621 696 N HA 0.285 5.024 4.740 -0.001 0.000 0.237 696 N C -0.702 174.847 175.510 0.064 0.000 0.997 696 N CA -0.284 52.786 53.050 0.034 0.000 0.918 696 N CB 0.629 39.167 38.487 0.084 0.000 1.122 696 N HN 0.368 nan 8.380 nan 0.000 0.510 697 L N 2.919 124.092 121.223 -0.083 0.000 3.039 697 L HA 0.364 4.703 4.340 -0.001 0.000 0.269 697 L C -0.874 175.691 176.870 -0.509 0.000 1.169 697 L CA 0.011 54.630 54.840 -0.368 0.000 0.986 697 L CB -0.741 40.895 42.059 -0.706 0.000 1.377 697 L HN 0.474 nan 8.230 nan 0.000 0.575 698 Y N -1.111 119.305 120.300 0.192 0.000 2.650 698 Y HA 0.410 4.959 4.550 -0.001 0.000 0.331 698 Y C 1.557 177.570 175.900 0.189 0.000 1.082 698 Y CA -1.073 57.136 58.100 0.181 0.000 1.171 698 Y CB 0.875 39.449 38.460 0.189 0.000 1.326 698 Y HN -0.276 nan 8.280 nan 0.000 0.513 699 K N 1.318 121.920 120.400 0.337 0.000 1.991 699 K HA 0.009 4.329 4.320 -0.001 0.000 0.212 699 K C 0.643 177.382 176.600 0.232 0.000 1.049 699 K CA 1.349 57.766 56.287 0.218 0.000 0.932 699 K CB -0.488 32.106 32.500 0.156 0.000 0.717 699 K HN 0.760 nan 8.250 nan 0.000 0.441 700 A N 0.712 123.697 122.820 0.276 0.000 2.327 700 A HA 0.311 4.630 4.320 -0.001 0.000 0.255 700 A C -2.248 175.608 177.584 0.453 0.000 1.099 700 A CA -1.115 51.106 52.037 0.307 0.000 0.801 700 A CB -0.288 18.909 19.000 0.328 0.000 1.062 700 A HN 0.221 nan 8.150 nan 0.000 0.496 701 P HA 0.286 nan 4.420 nan 0.000 0.249 701 P C -1.106 176.661 177.300 0.779 0.000 1.737 701 P CA 0.695 64.201 63.100 0.677 0.000 1.128 701 P CB -0.378 31.614 31.700 0.487 0.000 1.942 702 I N 2.418 123.354 120.570 0.610 0.000 2.509 702 I HA 0.391 4.560 4.170 -0.001 0.000 0.293 702 I C -0.149 176.026 176.117 0.096 0.000 1.020 702 I CA -0.886 60.607 61.300 0.322 0.000 1.088 702 I CB 2.191 40.377 38.000 0.310 0.000 1.267 702 I HN -0.078 nan 8.210 nan 0.000 0.430 703 L N 6.422 127.632 121.223 -0.023 0.000 2.365 703 L HA 0.589 4.928 4.340 -0.001 0.000 0.273 703 L C -0.965 175.930 176.870 0.041 0.000 1.000 703 L CA -0.724 54.058 54.840 -0.098 0.000 0.819 703 L CB 2.298 44.290 42.059 -0.111 0.000 1.284 703 L HN 0.398 nan 8.230 nan 0.000 0.418 704 L N 2.801 124.065 121.223 0.068 0.000 2.313 704 L HA 0.718 5.057 4.340 -0.001 0.000 0.283 704 L C -0.156 176.657 176.870 -0.094 0.000 1.013 704 L CA -0.468 54.375 54.840 0.005 0.000 0.816 704 L CB 1.922 43.983 42.059 0.004 0.000 1.236 704 L HN 0.665 nan 8.230 nan 0.000 0.419 705 A N 3.925 126.592 122.820 -0.255 0.000 2.337 705 A HA 0.792 5.111 4.320 -0.001 0.000 0.329 705 A C -0.999 176.354 177.584 -0.384 0.000 1.146 705 A CA -0.508 51.168 52.037 -0.602 0.000 0.800 705 A CB 1.345 19.846 19.000 -0.831 0.000 1.220 705 A HN 0.479 nan 8.150 nan 0.000 0.472 706 L N 1.527 122.498 121.223 -0.420 0.000 2.334 706 L HA 0.600 4.939 4.340 -0.001 0.000 0.275 706 L C -0.302 176.539 176.870 -0.049 0.000 1.036 706 L CA -0.218 54.482 54.840 -0.234 0.000 0.807 706 L CB 1.895 43.760 42.059 -0.323 0.000 1.231 706 L HN 0.407 nan 8.230 nan 0.000 0.438 707 V N 2.526 122.468 119.914 0.047 0.000 2.380 707 V HA 0.833 4.952 4.120 -0.001 0.000 0.286 707 V C -0.023 176.138 176.094 0.111 0.000 1.015 707 V CA -0.588 61.767 62.300 0.093 0.000 0.834 707 V CB 1.025 32.872 31.823 0.039 0.000 1.009 707 V HN 0.883 nan 8.190 nan 0.000 0.428 708 A N 3.368 126.254 122.820 0.111 0.000 2.344 708 A HA 1.035 5.355 4.320 -0.001 0.000 0.307 708 A C 0.792 178.331 177.584 -0.074 0.000 1.151 708 A CA 0.074 52.126 52.037 0.024 0.000 0.842 708 A CB 1.161 20.159 19.000 -0.003 0.000 1.350 708 A HN 2.002 nan 8.150 nan 0.000 0.459 709 G N -0.033 108.706 108.800 -0.102 0.000 2.582 709 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.288 709 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.288 709 G C 0.674 175.521 174.900 -0.088 0.000 1.247 709 G CA 0.784 45.809 45.100 -0.126 0.000 0.972 709 G HN 0.878 nan 8.290 nan 0.000 0.557 710 E N 0.406 120.558 120.200 -0.080 0.000 2.160 710 E HA -0.055 4.295 4.350 -0.001 0.000 0.195 710 E C 2.932 179.515 176.600 -0.029 0.000 0.991 710 E CA 1.301 57.670 56.400 -0.051 0.000 0.810 710 E CB -0.268 29.405 29.700 -0.043 0.000 0.742 710 E HN 0.728 nan 8.360 nan 0.000 0.466 711 A N 1.526 124.331 122.820 -0.025 0.000 1.969 711 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 711 A C 2.393 179.981 177.584 0.006 0.000 1.169 711 A CA 1.358 53.395 52.037 0.000 0.000 0.635 711 A CB -0.436 18.574 19.000 0.017 0.000 0.810 711 A HN 0.285 nan 8.150 nan 0.000 0.445 712 A N -0.234 122.586 122.820 -0.000 0.000 1.873 712 A HA 0.036 4.355 4.320 -0.001 0.000 0.218 712 A C 2.420 180.012 177.584 0.013 0.000 1.193 712 A CA 2.129 54.173 52.037 0.012 0.000 0.629 712 A CB -1.427 17.576 19.000 0.005 0.000 0.826 712 A HN 0.722 nan 8.150 nan 0.000 0.447 713 G N -0.381 108.421 108.800 0.004 0.000 2.394 713 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.215 713 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.215 713 G C 1.401 176.304 174.900 0.005 0.000 1.165 713 G CA 0.987 46.092 45.100 0.008 0.000 0.784 713 G HN 0.349 nan 8.290 nan 0.000 0.535 714 I N 1.425 121.997 120.570 0.003 0.000 2.127 714 I HA -0.123 4.046 4.170 -0.001 0.000 0.241 714 I C 2.782 178.901 176.117 0.003 0.000 1.075 714 I CA 1.076 62.378 61.300 0.003 0.000 1.334 714 I CB -0.969 37.034 38.000 0.005 0.000 1.040 714 I HN 0.159 nan 8.210 nan 0.000 0.405 715 M N 0.151 119.755 119.600 0.006 0.000 2.346 715 M HA -0.169 4.311 4.480 -0.001 0.000 0.263 715 M C 1.943 178.240 176.300 -0.006 0.000 1.064 715 M CA 1.152 56.454 55.300 0.004 0.000 1.083 715 M CB -1.285 31.321 32.600 0.009 0.000 1.399 715 M HN 0.339 nan 8.290 nan 0.000 0.435 716 E N 0.328 120.524 120.200 -0.006 0.000 2.333 716 E HA -0.164 4.185 4.350 -0.001 0.000 0.198 716 E C 1.179 177.765 176.600 -0.022 0.000 1.007 716 E CA 0.784 57.173 56.400 -0.018 0.000 0.845 716 E CB -0.333 29.359 29.700 -0.014 0.000 0.766 716 E HN 0.666 nan 8.360 nan 0.000 0.507 717 N N -0.001 118.691 118.700 -0.014 0.000 2.467 717 N HA 0.068 4.807 4.740 -0.001 0.000 0.184 717 N C 0.039 175.541 175.510 -0.014 0.000 1.106 717 N CA 0.197 53.238 53.050 -0.014 0.000 0.892 717 N CB 0.392 38.874 38.487 -0.009 0.000 0.969 717 N HN 0.042 nan 8.380 nan 0.000 0.454 718 I N 0.517 121.079 120.570 -0.014 0.000 2.428 718 I HA 0.145 4.314 4.170 -0.001 0.000 0.296 718 I C 0.575 176.680 176.117 -0.021 0.000 0.985 718 I CA -0.914 60.379 61.300 -0.012 0.000 1.260 718 I CB 1.413 39.410 38.000 -0.005 0.000 1.389 718 I HN 0.051 nan 8.210 nan 0.000 0.484 719 S N 2.547 118.235 115.700 -0.020 0.000 2.593 719 S HA 0.079 4.549 4.470 -0.001 0.000 0.269 719 S C 0.541 175.122 174.600 -0.031 0.000 1.334 719 S CA -0.497 57.686 58.200 -0.027 0.000 1.015 719 S CB 1.158 64.345 63.200 -0.022 0.000 0.912 719 S HN 0.588 nan 8.310 nan 0.000 0.541 720 D N 1.199 121.574 120.400 -0.043 0.000 2.106 720 D HA -0.115 4.524 4.640 -0.001 0.000 0.191 720 D C 1.497 177.773 176.300 -0.039 0.000 0.997 720 D CA 1.803 55.771 54.000 -0.053 0.000 0.834 720 D CB -0.387 40.372 40.800 -0.069 0.000 0.956 720 D HN 0.660 nan 8.370 nan 0.000 0.448 721 D N -0.029 120.352 120.400 -0.031 0.000 2.116 721 D HA -0.125 4.514 4.640 -0.001 0.000 0.193 721 D C 2.254 178.549 176.300 -0.008 0.000 0.998 721 D CA 0.759 54.748 54.000 -0.019 0.000 0.836 721 D CB -0.310 40.482 40.800 -0.014 0.000 0.951 721 D HN 0.122 nan 8.370 nan 0.000 0.449 722 V N 1.088 120.998 119.914 -0.007 0.000 2.358 722 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 722 V C 2.417 178.514 176.094 0.006 0.000 1.047 722 V CA 0.841 63.143 62.300 0.002 0.000 1.035 722 V CB -0.285 31.539 31.823 0.002 0.000 0.658 722 V HN 0.092 nan 8.190 nan 0.000 0.452 723 I N -0.057 120.511 120.570 -0.003 0.000 2.315 723 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 723 I C 2.219 178.341 176.117 0.009 0.000 1.117 723 I CA 1.472 62.773 61.300 0.000 0.000 1.404 723 I CB -0.268 37.723 38.000 -0.016 0.000 1.071 723 I HN 0.064 nan 8.210 nan 0.000 0.419 724 V N 1.067 120.981 119.914 -0.001 0.000 2.343 724 V HA -0.197 3.923 4.120 -0.001 0.000 0.247 724 V C 2.616 178.738 176.094 0.046 0.000 1.051 724 V CA 1.924 64.231 62.300 0.013 0.000 1.036 724 V CB -1.773 30.041 31.823 -0.015 0.000 0.654 724 V HN 0.578 nan 8.190 nan 0.000 0.451 725 G N -0.086 108.734 108.800 0.034 0.000 2.440 725 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 725 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 725 G C 1.722 176.653 174.900 0.051 0.000 1.154 725 G CA 0.772 45.898 45.100 0.042 0.000 0.767 725 G HN 0.460 nan 8.290 nan 0.000 0.552 726 R N -0.806 119.722 120.500 0.047 0.000 2.148 726 R HA -0.007 4.332 4.340 -0.001 0.000 0.227 726 R C 2.582 178.926 176.300 0.072 0.000 1.103 726 R CA 0.926 57.056 56.100 0.050 0.000 0.983 726 R CB -0.595 29.731 30.300 0.044 0.000 0.874 726 R HN 0.379 nan 8.270 nan 0.000 0.451 727 C N 0.665 120.029 119.300 0.106 0.000 2.453 727 C HA -0.020 4.439 4.460 -0.001 0.000 0.277 727 C C 2.527 177.644 174.990 0.211 0.000 1.262 727 C CA 0.597 59.737 59.018 0.204 0.000 1.718 727 C CB -0.766 27.108 27.740 0.223 0.000 2.031 727 C HN 0.439 nan 8.230 nan 0.000 0.480 728 L N 0.960 122.284 121.223 0.169 0.000 2.083 728 L HA -0.145 4.194 4.340 -0.001 0.000 0.209 728 L C 2.844 179.755 176.870 0.068 0.000 1.083 728 L CA 1.554 56.480 54.840 0.143 0.000 0.752 728 L CB -0.849 41.284 42.059 0.123 0.000 0.899 728 L HN 0.353 nan 8.230 nan 0.000 0.433 729 A N 0.529 123.381 122.820 0.053 0.000 1.902 729 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 729 A C 2.199 179.783 177.584 0.001 0.000 1.181 729 A CA 1.405 53.456 52.037 0.023 0.000 0.623 729 A CB -0.449 18.567 19.000 0.026 0.000 0.818 729 A HN 0.254 nan 8.150 nan 0.000 0.443 730 I N -0.393 120.173 120.570 -0.006 0.000 2.142 730 I HA -0.192 3.977 4.170 -0.001 0.000 0.240 730 I C 2.384 178.452 176.117 -0.083 0.000 1.078 730 I CA 1.143 62.393 61.300 -0.084 0.000 1.343 730 I CB -1.436 36.490 38.000 -0.123 0.000 1.046 730 I HN 0.178 nan 8.210 nan 0.000 0.405 731 L N 0.871 122.081 121.223 -0.022 0.000 2.042 731 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 731 L C 2.479 179.363 176.870 0.024 0.000 1.076 731 L CA 1.751 56.618 54.840 0.045 0.000 0.749 731 L CB -1.180 40.999 42.059 0.200 0.000 0.893 731 L HN 0.271 nan 8.230 nan 0.000 0.432 732 K N -1.093 119.290 120.400 -0.027 0.000 2.148 732 K HA -0.085 4.235 4.320 -0.001 0.000 0.204 732 K C 2.013 178.568 176.600 -0.075 0.000 1.050 732 K CA 1.067 57.319 56.287 -0.059 0.000 0.942 732 K CB -0.454 32.014 32.500 -0.054 0.000 0.724 732 K HN 0.438 nan 8.250 nan 0.000 0.446 733 G N 1.135 109.886 108.800 -0.081 0.000 2.443 733 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.219 733 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.219 733 G C 1.441 176.233 174.900 -0.181 0.000 1.131 733 G CA 0.515 45.563 45.100 -0.087 0.000 0.775 733 G HN 0.132 nan 8.290 nan 0.000 0.547 734 I N -0.999 119.363 120.570 -0.345 0.000 2.385 734 I HA 0.117 4.286 4.170 -0.001 0.000 0.244 734 I C 1.701 177.356 176.117 -0.772 0.000 1.089 734 I CA 0.657 61.510 61.300 -0.744 0.000 1.410 734 I CB -0.001 37.192 38.000 -1.345 0.000 1.117 734 I HN 0.053 nan 8.210 nan 0.000 0.429 735 F N 1.042 120.853 119.950 -0.230 0.000 2.727 735 F HA 0.425 4.951 4.527 -0.001 0.000 0.302 735 F C 1.117 176.832 175.800 -0.142 0.000 1.097 735 F CA -0.005 57.896 58.000 -0.164 0.000 1.330 735 F CB -0.192 38.754 39.000 -0.091 0.000 1.084 735 F HN 0.072 nan 8.300 nan 0.000 0.578 736 G N 1.024 109.811 108.800 -0.021 0.000 2.879 736 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.686 736 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.686 736 G C 0.030 174.893 174.900 -0.061 0.000 1.115 736 G CA -0.606 44.470 45.100 -0.039 0.000 0.770 736 G HN 0.479 nan 8.290 nan 0.000 0.601 737 S N 0.906 116.568 115.700 -0.063 0.000 2.580 737 S HA 0.634 5.104 4.470 -0.001 0.000 0.266 737 S C 1.687 176.237 174.600 -0.083 0.000 1.354 737 S CA 1.129 59.282 58.200 -0.079 0.000 1.008 737 S CB 1.485 64.653 63.200 -0.052 0.000 0.898 737 S HN 2.971 nan 8.310 nan 0.000 0.555 738 S N -0.370 115.272 115.700 -0.096 0.000 2.261 738 S HA -0.268 4.202 4.470 -0.001 0.000 0.247 738 S C 1.152 175.679 174.600 -0.122 0.000 1.195 738 S CA 1.343 59.492 58.200 -0.085 0.000 1.464 738 S CB -2.233 60.933 63.200 -0.056 0.000 1.835 738 S HN 2.095 nan 8.310 nan 0.000 0.598 739 A N 0.633 123.353 122.820 -0.168 0.000 2.044 739 A HA 0.670 4.989 4.320 -0.001 0.000 0.213 739 A C 0.833 178.115 177.584 -0.504 0.000 1.169 739 A CA 1.025 52.929 52.037 -0.221 0.000 0.724 739 A CB 0.322 19.242 19.000 -0.133 0.000 0.840 739 A HN 1.180 nan 8.150 nan 0.000 0.463 740 V N 3.582 123.156 119.914 -0.567 0.000 2.311 740 V HA 0.287 4.407 4.120 -0.001 0.000 0.275 740 V C -2.198 173.655 176.094 -0.402 0.000 1.022 740 V CA -1.611 60.158 62.300 -0.884 0.000 0.830 740 V CB 0.991 32.374 31.823 -0.734 0.000 1.012 740 V HN 0.361 nan 8.190 nan 0.000 0.452 741 P HA 0.273 nan 4.420 nan 0.000 0.278 741 P C -0.719 176.690 177.300 0.181 0.000 1.266 741 P CA -0.646 62.448 63.100 -0.010 0.000 0.807 741 P CB 0.929 32.666 31.700 0.062 0.000 1.094 742 Q N 0.544 120.448 119.800 0.174 0.000 2.373 742 Q HA 0.248 4.587 4.340 -0.001 0.000 0.255 742 Q C -1.954 174.209 176.000 0.271 0.000 0.980 742 Q CA -1.235 54.687 55.803 0.197 0.000 0.882 742 Q CB -0.626 28.174 28.738 0.104 0.000 1.249 742 Q HN 0.347 nan 8.270 nan 0.000 0.438 743 P HA 0.106 nan 4.420 nan 0.000 0.275 743 P C 0.264 177.538 177.300 -0.044 0.000 1.228 743 P CA -0.146 62.891 63.100 -0.105 0.000 0.786 743 P CB 0.805 32.289 31.700 -0.360 0.000 0.927 744 K N 0.841 121.210 120.400 -0.051 0.000 2.211 744 K HA 0.093 4.412 4.320 -0.001 0.000 0.201 744 K C 0.321 176.885 176.600 -0.059 0.000 1.052 744 K CA 1.022 57.313 56.287 0.007 0.000 0.973 744 K CB 0.378 32.940 32.500 0.104 0.000 0.766 744 K HN 0.533 nan 8.250 nan 0.000 0.466 745 E N 0.937 121.023 120.200 -0.191 0.000 2.331 745 E HA 0.209 4.558 4.350 -0.001 0.000 0.275 745 E C -0.917 175.487 176.600 -0.326 0.000 0.895 745 E CA -0.337 55.935 56.400 -0.213 0.000 0.753 745 E CB 2.474 32.058 29.700 -0.193 0.000 1.216 745 E HN 0.109 nan 8.360 nan 0.000 0.434 746 T N -1.960 112.411 114.554 -0.306 0.000 2.916 746 T HA 0.711 5.060 4.350 -0.001 0.000 0.305 746 T C -0.687 173.780 174.700 -0.390 0.000 1.119 746 T CA -0.697 61.202 62.100 -0.336 0.000 1.008 746 T CB 1.370 70.101 68.868 -0.228 0.000 1.129 746 T HN 0.115 nan 8.240 nan 0.000 0.480 747 V N 1.761 121.423 119.914 -0.419 0.000 2.760 747 V HA 0.741 4.860 4.120 -0.001 0.000 0.309 747 V C -0.769 175.170 176.094 -0.259 0.000 1.077 747 V CA -0.854 61.203 62.300 -0.405 0.000 0.910 747 V CB 2.002 33.450 31.823 -0.624 0.000 1.008 747 V HN 0.966 nan 8.190 nan 0.000 0.424 748 V N 2.895 122.688 119.914 -0.202 0.000 2.531 748 V HA 0.594 4.713 4.120 -0.001 0.000 0.301 748 V C 0.186 176.183 176.094 -0.163 0.000 1.034 748 V CA -0.475 61.735 62.300 -0.151 0.000 0.865 748 V CB 2.197 33.948 31.823 -0.120 0.000 0.995 748 V HN 1.037 nan 8.190 nan 0.000 0.424 749 S N 4.881 120.494 115.700 -0.146 0.000 2.616 749 S HA 0.703 5.172 4.470 -0.001 0.000 0.277 749 S C -0.158 174.313 174.600 -0.214 0.000 1.234 749 S CA -0.817 57.232 58.200 -0.252 0.000 1.028 749 S CB 1.294 64.384 63.200 -0.183 0.000 0.988 749 S HN 0.712 nan 8.310 nan 0.000 0.522 750 R N 1.221 121.520 120.500 -0.336 0.000 2.687 750 R HA 0.166 4.505 4.340 -0.001 0.000 0.264 750 R C -0.575 175.615 176.300 -0.183 0.000 1.715 750 R CA -0.238 55.757 56.100 -0.174 0.000 1.633 750 R CB 0.034 30.250 30.300 -0.140 0.000 1.353 750 R HN 0.843 nan 8.270 nan 0.000 0.653 751 W N 0.483 121.786 121.300 0.005 0.000 2.374 751 W HA -0.132 4.528 4.660 -0.001 0.000 0.288 751 W C 2.284 178.823 176.519 0.033 0.000 1.218 751 W CA 0.736 58.097 57.345 0.027 0.000 1.245 751 W CB 0.035 29.512 29.460 0.028 0.000 1.126 751 W HN 0.293 nan 8.180 nan 0.000 0.545 752 R N 0.922 121.541 120.500 0.198 0.000 2.075 752 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 752 R C 2.096 178.437 176.300 0.068 0.000 1.126 752 R CA 1.839 58.021 56.100 0.136 0.000 0.963 752 R CB -0.954 29.397 30.300 0.086 0.000 0.858 752 R HN 0.032 nan 8.270 nan 0.000 0.435 753 A N 0.138 122.965 122.820 0.011 0.000 2.167 753 A HA -0.019 4.300 4.320 -0.001 0.000 0.214 753 A C 0.415 177.946 177.584 -0.089 0.000 1.151 753 A CA 0.523 52.533 52.037 -0.044 0.000 0.735 753 A CB -0.421 18.541 19.000 -0.062 0.000 0.802 753 A HN 0.339 nan 8.150 nan 0.000 0.467 754 D N 0.807 121.167 120.400 -0.067 0.000 2.349 754 D HA 0.072 4.712 4.640 -0.001 0.000 0.266 754 D C -1.318 174.900 176.300 -0.137 0.000 1.293 754 D CA -1.798 52.136 54.000 -0.109 0.000 0.926 754 D CB 1.082 41.857 40.800 -0.042 0.000 1.090 754 D HN 0.169 nan 8.370 nan 0.000 0.502 755 P HA -0.120 nan 4.420 nan 0.000 0.222 755 P C 0.805 177.851 177.300 -0.425 0.000 1.147 755 P CA 0.915 63.700 63.100 -0.525 0.000 0.790 755 P CB -0.106 31.078 31.700 -0.859 0.000 0.780 756 W N -0.731 120.611 121.300 0.071 0.000 3.256 756 W HA 0.429 5.088 4.660 -0.001 0.000 0.269 756 W C 1.809 178.411 176.519 0.139 0.000 1.310 756 W CA 0.002 57.398 57.345 0.085 0.000 1.673 756 W CB 0.101 29.609 29.460 0.081 0.000 1.115 756 W HN 0.027 nan 8.180 nan 0.000 0.686 757 A N -0.487 122.526 122.820 0.321 0.000 1.773 757 A HA 0.238 4.557 4.320 -0.001 0.000 0.210 757 A C 1.366 179.150 177.584 0.334 0.000 1.775 757 A CA -0.164 52.098 52.037 0.374 0.000 1.157 757 A CB 0.241 19.600 19.000 0.599 0.000 1.119 757 A HN -0.036 nan 8.150 nan 0.000 0.501 758 R N -0.470 120.200 120.500 0.283 0.000 3.776 758 R HA -0.135 4.204 4.340 -0.001 0.000 0.312 758 R C 0.461 177.029 176.300 0.447 0.000 1.181 758 R CA 1.324 57.575 56.100 0.251 0.000 0.836 758 R CB -2.543 27.831 30.300 0.124 0.000 1.324 758 R HN 2.077 nan 8.270 nan 0.000 0.501 759 G N -2.614 106.468 108.800 0.470 0.000 2.369 759 G HA2 0.137 4.096 3.960 -0.001 0.000 0.293 759 G HA3 0.137 4.096 3.960 -0.001 0.000 0.293 759 G C 0.328 175.230 174.900 0.002 0.000 1.301 759 G CA 0.328 45.547 45.100 0.198 0.000 0.913 759 G HN 0.298 nan 8.290 nan 0.000 0.540 760 S N -1.307 114.111 115.700 -0.469 0.000 2.517 760 S HA 0.598 5.067 4.470 -0.001 0.000 0.228 760 S C 0.551 174.929 174.600 -0.370 0.000 1.060 760 S CA 1.652 59.561 58.200 -0.484 0.000 0.937 760 S CB -0.023 62.853 63.200 -0.540 0.000 0.840 760 S HN 2.009 nan 8.310 nan 0.000 0.546 761 Y N 0.609 120.499 120.300 -0.685 0.000 2.677 761 Y HA 0.702 5.252 4.550 -0.001 0.000 0.334 761 Y C -0.419 175.259 175.900 -0.370 0.000 1.196 761 Y CA -1.414 56.446 58.100 -0.400 0.000 1.059 761 Y CB 0.312 38.697 38.460 -0.126 0.000 1.315 761 Y HN 0.200 nan 8.280 nan 0.000 0.455 762 S N 0.874 116.743 115.700 0.282 0.000 2.600 762 S HA 0.622 5.091 4.470 -0.001 0.000 0.265 762 S C -0.916 173.908 174.600 0.374 0.000 1.325 762 S CA 0.010 58.411 58.200 0.336 0.000 1.002 762 S CB 0.451 63.925 63.200 0.456 0.000 0.921 762 S HN 1.193 nan 8.310 nan 0.000 0.554 763 Y N -2.269 118.181 120.300 0.249 0.000 2.571 763 Y HA 0.646 5.195 4.550 -0.001 0.000 0.341 763 Y C -1.308 174.756 175.900 0.272 0.000 1.076 763 Y CA -1.748 56.499 58.100 0.245 0.000 1.029 763 Y CB 0.558 39.098 38.460 0.134 0.000 1.308 763 Y HN 0.427 nan 8.280 nan 0.000 0.461 764 V N 3.388 123.588 119.914 0.477 0.000 2.387 764 V HA 0.555 4.674 4.120 -0.001 0.000 0.260 764 V C 0.737 177.066 176.094 0.391 0.000 1.054 764 V CA 0.046 62.567 62.300 0.369 0.000 0.967 764 V CB -0.438 31.624 31.823 0.398 0.000 1.036 764 V HN 0.970 nan 8.190 nan 0.000 0.481 765 A N 4.738 127.666 122.820 0.180 0.000 2.351 765 A HA 0.743 5.062 4.320 -0.001 0.000 0.257 765 A C 0.823 178.525 177.584 0.196 0.000 1.087 765 A CA -0.007 52.184 52.037 0.257 0.000 0.798 765 A CB 0.449 19.485 19.000 0.059 0.000 1.033 765 A HN 1.297 nan 8.150 nan 0.000 0.488 766 A N 0.360 123.286 122.820 0.176 0.000 2.545 766 A HA 0.475 4.794 4.320 -0.001 0.000 0.253 766 A C 1.486 179.119 177.584 0.083 0.000 1.074 766 A CA 0.849 52.952 52.037 0.110 0.000 0.760 766 A CB -0.965 18.070 19.000 0.059 0.000 1.005 766 A HN 2.702 nan 8.150 nan 0.000 0.506 767 G N 1.031 109.882 108.800 0.086 0.000 2.201 767 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.212 767 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.212 767 G C 0.598 175.531 174.900 0.054 0.000 0.994 767 G CA 0.639 45.774 45.100 0.058 0.000 0.644 767 G HN 1.612 nan 8.290 nan 0.000 0.508 768 S N -0.670 115.075 115.700 0.074 0.000 2.776 768 S HA 0.935 5.404 4.470 -0.001 0.000 0.306 768 S C 0.264 174.902 174.600 0.063 0.000 1.114 768 S CA 1.146 59.366 58.200 0.034 0.000 0.973 768 S CB 1.814 65.013 63.200 -0.003 0.000 1.250 768 S HN 2.045 nan 8.310 nan 0.000 0.549 769 S N -1.138 114.554 115.700 -0.014 0.000 2.655 769 S HA 0.475 4.944 4.470 -0.001 0.000 0.266 769 S C 0.817 175.398 174.600 -0.032 0.000 1.149 769 S CA -0.151 57.935 58.200 -0.189 0.000 0.818 769 S CB 0.428 63.350 63.200 -0.463 0.000 1.130 769 S HN 1.115 nan 8.310 nan 0.000 0.476 770 G N 0.544 109.295 108.800 -0.082 0.000 2.498 770 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.219 770 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.219 770 G C 0.944 175.923 174.900 0.131 0.000 1.119 770 G CA 0.912 46.084 45.100 0.120 0.000 0.766 770 G HN 0.741 nan 8.290 nan 0.000 0.552 771 N N 0.482 119.180 118.700 -0.003 0.000 2.309 771 N HA -0.055 4.685 4.740 -0.001 0.000 0.182 771 N C 1.491 177.000 175.510 -0.002 0.000 1.018 771 N CA 0.939 53.982 53.050 -0.011 0.000 0.876 771 N CB 0.019 38.476 38.487 -0.050 0.000 0.972 771 N HN 0.088 nan 8.380 nan 0.000 0.434 772 D N -0.854 119.526 120.400 -0.033 0.000 2.263 772 D HA -0.131 4.508 4.640 -0.001 0.000 0.208 772 D C 1.121 177.323 176.300 -0.163 0.000 0.971 772 D CA 0.865 54.794 54.000 -0.119 0.000 0.867 772 D CB -0.134 40.544 40.800 -0.204 0.000 0.929 772 D HN 0.453 nan 8.370 nan 0.000 0.492 773 Y N 0.965 121.240 120.300 -0.042 0.000 2.314 773 Y HA -0.079 4.471 4.550 -0.001 0.000 0.293 773 Y C 2.109 177.978 175.900 -0.053 0.000 1.129 773 Y CA 0.746 58.820 58.100 -0.043 0.000 1.201 773 Y CB 0.067 38.498 38.460 -0.048 0.000 0.999 773 Y HN -0.106 nan 8.280 nan 0.000 0.541 774 D N -0.106 120.349 120.400 0.091 0.000 2.149 774 D HA -0.110 4.529 4.640 -0.001 0.000 0.201 774 D C 2.158 178.464 176.300 0.009 0.000 0.972 774 D CA 0.997 55.015 54.000 0.031 0.000 0.835 774 D CB -0.282 40.519 40.800 0.002 0.000 0.966 774 D HN 0.293 nan 8.370 nan 0.000 0.476 775 L N 0.169 121.394 121.223 0.003 0.000 2.131 775 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 775 L C 2.370 179.275 176.870 0.057 0.000 1.092 775 L CA 0.582 55.453 54.840 0.052 0.000 0.759 775 L CB -0.224 41.885 42.059 0.084 0.000 0.903 775 L HN 0.039 nan 8.230 nan 0.000 0.435 776 M N -0.777 118.791 119.600 -0.054 0.000 2.319 776 M HA -0.087 4.392 4.480 -0.001 0.000 0.265 776 M C 2.406 178.619 176.300 -0.145 0.000 1.068 776 M CA 1.469 56.666 55.300 -0.171 0.000 1.118 776 M CB -1.011 31.501 32.600 -0.147 0.000 1.395 776 M HN 0.262 nan 8.290 nan 0.000 0.435 777 A N -0.762 122.049 122.820 -0.016 0.000 2.016 777 A HA -0.022 4.297 4.320 -0.001 0.000 0.217 777 A C 1.167 178.836 177.584 0.141 0.000 1.162 777 A CA 0.310 52.388 52.037 0.067 0.000 0.662 777 A CB -0.229 18.806 19.000 0.057 0.000 0.812 777 A HN 0.349 nan 8.150 nan 0.000 0.450 778 Q N 0.645 120.514 119.800 0.115 0.000 2.286 778 Q HA 0.153 4.493 4.340 -0.001 0.000 0.290 778 Q C -2.447 173.708 176.000 0.258 0.000 1.049 778 Q CA -1.322 54.577 55.803 0.159 0.000 0.923 778 Q CB 0.069 28.880 28.738 0.122 0.000 1.183 778 Q HN 0.268 nan 8.270 nan 0.000 0.383 779 P HA 0.200 nan 4.420 nan 0.000 0.277 779 P C -0.452 176.876 177.300 0.047 0.000 1.240 779 P CA -0.403 62.697 63.100 0.001 0.000 0.798 779 P CB 0.726 32.252 31.700 -0.290 0.000 0.979 780 I N 1.845 122.376 120.570 -0.065 0.000 2.331 780 I HA 0.314 4.484 4.170 -0.001 0.000 0.292 780 I C 0.543 176.612 176.117 -0.080 0.000 0.998 780 I CA -0.019 61.262 61.300 -0.032 0.000 1.267 780 I CB 0.704 38.585 38.000 -0.199 0.000 1.386 780 I HN 0.357 nan 8.210 nan 0.000 0.476 781 T N 5.556 120.142 114.554 0.052 0.000 2.937 781 T HA 0.612 4.962 4.350 -0.001 0.000 0.297 781 T C -2.227 172.549 174.700 0.127 0.000 0.991 781 T CA -1.320 60.819 62.100 0.064 0.000 0.990 781 T CB 2.012 70.897 68.868 0.029 0.000 0.991 781 T HN 0.351 nan 8.240 nan 0.000 0.440 793 I N 0.634 121.225 120.570 0.035 0.000 2.739 793 I HA 0.353 4.523 4.170 -0.001 0.000 0.288 793 I C -3.020 173.124 176.117 0.046 0.000 1.582 793 I CA -1.747 59.564 61.300 0.019 0.000 1.035 793 I CB 2.691 40.682 38.000 -0.015 0.000 1.432 793 I HN -0.343 nan 8.210 nan 0.000 0.444 794 P HA 0.009 nan 4.420 nan 0.000 0.255 794 P C -0.635 176.711 177.300 0.077 0.000 1.151 794 P CA 0.617 63.709 63.100 -0.014 0.000 0.767 794 P CB 0.424 32.184 31.700 0.100 0.000 0.736 795 R N 3.114 123.545 120.500 -0.116 0.000 2.320 795 R HA 0.294 4.633 4.340 -0.001 0.000 0.193 795 R C -0.119 176.087 176.300 -0.156 0.000 0.885 795 R CA 0.171 56.312 56.100 0.069 0.000 1.085 795 R CB -0.074 30.322 30.300 0.161 0.000 1.253 795 R HN 0.275 nan 8.270 nan 0.000 0.636 796 L N 1.695 122.622 121.223 -0.494 0.000 2.280 796 L HA 0.531 4.870 4.340 -0.001 0.000 0.287 796 L C -1.429 174.970 176.870 -0.786 0.000 1.023 796 L CA -0.363 54.144 54.840 -0.555 0.000 0.819 796 L CB 0.708 42.358 42.059 -0.681 0.000 1.212 796 L HN -0.077 nan 8.230 nan 0.000 0.420 797 F N 4.544 124.271 119.950 -0.370 0.000 2.523 797 F HA 0.646 5.172 4.527 -0.001 0.000 0.329 797 F C -0.507 174.955 175.800 -0.563 0.000 1.061 797 F CA -0.456 57.384 58.000 -0.267 0.000 0.967 797 F CB 1.504 40.441 39.000 -0.104 0.000 1.218 797 F HN 0.194 nan 8.300 nan 0.000 0.480 798 F N 1.008 121.039 119.950 0.135 0.000 2.540 798 F HA 0.783 5.309 4.527 -0.001 0.000 0.317 798 F C 0.003 175.811 175.800 0.013 0.000 1.104 798 F CA -0.809 57.219 58.000 0.047 0.000 0.913 798 F CB 1.793 40.783 39.000 -0.017 0.000 1.170 798 F HN 0.592 nan 8.300 nan 0.000 0.450 799 A N 1.472 124.377 122.820 0.142 0.000 2.532 799 A HA 1.007 5.327 4.320 -0.001 0.000 0.290 799 A C -0.341 177.247 177.584 0.007 0.000 1.143 799 A CA -0.377 51.687 52.037 0.043 0.000 0.728 799 A CB 1.757 20.773 19.000 0.026 0.000 1.317 799 A HN 1.645 nan 8.150 nan 0.000 0.414 800 G N -0.393 108.395 108.800 -0.020 0.000 2.334 800 G HA2 0.424 4.384 3.960 -0.001 0.000 0.566 800 G HA3 0.424 4.384 3.960 -0.001 0.000 0.566 800 G C -0.021 174.897 174.900 0.030 0.000 1.413 800 G CA 0.551 45.684 45.100 0.054 0.000 0.993 800 G HN 1.677 nan 8.290 nan 0.000 0.642 801 E N -0.336 119.967 120.200 0.171 0.000 2.209 801 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 801 E C 1.678 178.424 176.600 0.244 0.000 0.993 801 E CA 2.351 58.843 56.400 0.155 0.000 0.819 801 E CB -0.353 29.440 29.700 0.155 0.000 0.745 801 E HN 0.871 nan 8.360 nan 0.000 0.477 802 H N 0.057 119.251 119.070 0.205 0.000 2.547 802 H HA 0.168 4.723 4.556 -0.001 0.000 0.266 802 H C 0.812 176.282 175.328 0.237 0.000 0.988 802 H CA 1.261 57.461 56.048 0.253 0.000 1.147 802 H CB -0.296 29.536 29.762 0.116 0.000 1.365 802 H HN 0.352 nan 8.280 nan 0.000 0.589 803 T N -1.952 112.504 114.554 -0.164 0.000 3.085 803 T HA 0.234 4.583 4.350 -0.001 0.000 0.264 803 T C 0.381 175.106 174.700 0.041 0.000 1.019 803 T CA -0.409 61.632 62.100 -0.098 0.000 0.910 803 T CB 0.018 68.770 68.868 -0.193 0.000 1.059 803 T HN 0.135 nan 8.240 nan 0.000 0.542 804 I N 2.533 123.149 120.570 0.077 0.000 2.464 804 I HA 0.470 4.640 4.170 -0.001 0.000 0.277 804 I C 1.107 177.152 176.117 -0.122 0.000 1.040 804 I CA -1.130 60.176 61.300 0.010 0.000 1.153 804 I CB 1.253 39.272 38.000 0.031 0.000 1.274 804 I HN 0.147 nan 8.210 nan 0.000 0.469 805 R N 4.969 125.377 120.500 -0.153 0.000 2.133 805 R HA -0.172 4.167 4.340 -0.001 0.000 0.247 805 R C 0.621 176.617 176.300 -0.506 0.000 1.151 805 R CA 2.060 57.959 56.100 -0.334 0.000 0.971 805 R CB 0.282 30.484 30.300 -0.163 0.000 0.866 805 R HN 0.616 nan 8.270 nan 0.000 0.447 806 N N -1.018 117.294 118.700 -0.646 0.000 2.353 806 N HA -0.039 4.700 4.740 -0.001 0.000 0.185 806 N C -0.408 174.381 175.510 -1.202 0.000 1.098 806 N CA 0.707 53.047 53.050 -1.185 0.000 0.872 806 N CB 0.570 37.776 38.487 -2.135 0.000 0.970 806 N HN 0.305 nan 8.380 nan 0.000 0.467 807 Y N -0.293 119.830 120.300 -0.295 0.000 2.734 807 Y HA 0.317 4.866 4.550 -0.001 0.000 0.251 807 Y C -2.357 173.406 175.900 -0.227 0.000 1.049 807 Y CA -2.072 55.916 58.100 -0.188 0.000 1.103 807 Y CB 0.549 38.970 38.460 -0.065 0.000 1.201 807 Y HN -0.070 nan 8.280 nan 0.000 0.618 808 P HA 0.111 nan 4.420 nan 0.000 0.270 808 P C 0.612 177.868 177.300 -0.075 0.000 1.223 808 P CA 0.922 63.941 63.100 -0.135 0.000 0.785 808 P CB 1.468 32.941 31.700 -0.377 0.000 0.923 809 A N -0.302 122.529 122.820 0.018 0.000 2.832 809 A HA -0.132 4.187 4.320 -0.001 0.000 0.280 809 A C 0.551 177.946 177.584 -0.314 0.000 1.464 809 A CA 1.549 53.553 52.037 -0.056 0.000 0.804 809 A CB -2.859 16.176 19.000 0.058 0.000 1.020 809 A HN 0.929 nan 8.150 nan 0.000 0.563 810 T N -5.673 108.709 114.554 -0.286 0.000 2.864 810 T HA 0.639 4.988 4.350 -0.001 0.000 0.299 810 T C 0.792 175.296 174.700 -0.326 0.000 1.166 810 T CA -0.140 61.722 62.100 -0.396 0.000 1.007 810 T CB 1.581 70.033 68.868 -0.693 0.000 1.219 810 T HN 0.769 nan 8.240 nan 0.000 0.506 811 V N 1.634 121.404 119.914 -0.239 0.000 2.453 811 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 811 V C 2.719 178.770 176.094 -0.072 0.000 1.048 811 V CA 2.018 64.231 62.300 -0.146 0.000 1.049 811 V CB -1.266 30.479 31.823 -0.130 0.000 0.672 811 V HN 1.037 nan 8.190 nan 0.000 0.457 812 H N 0.181 119.282 119.070 0.053 0.000 2.389 812 H HA -0.021 4.534 4.556 -0.001 0.000 0.299 812 H C 2.359 177.674 175.328 -0.022 0.000 1.081 812 H CA 1.616 57.688 56.048 0.041 0.000 1.345 812 H CB -0.741 29.097 29.762 0.127 0.000 1.393 812 H HN 0.380 nan 8.280 nan 0.000 0.520 813 G N 1.076 109.671 108.800 -0.342 0.000 2.418 813 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.217 813 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.217 813 G C 2.039 176.901 174.900 -0.064 0.000 1.158 813 G CA 1.502 46.527 45.100 -0.125 0.000 0.771 813 G HN 0.634 nan 8.290 nan 0.000 0.545 814 A N 0.521 123.293 122.820 -0.079 0.000 1.877 814 A HA 0.036 4.355 4.320 -0.001 0.000 0.216 814 A C 2.377 179.944 177.584 -0.028 0.000 1.186 814 A CA 1.686 53.703 52.037 -0.033 0.000 0.620 814 A CB -0.534 18.445 19.000 -0.035 0.000 0.822 814 A HN 0.441 nan 8.150 nan 0.000 0.443 815 L N -0.136 121.072 121.223 -0.025 0.000 1.971 815 L HA -0.187 4.152 4.340 -0.001 0.000 0.215 815 L C 2.407 179.243 176.870 -0.056 0.000 1.072 815 L CA 2.001 56.832 54.840 -0.016 0.000 0.758 815 L CB -0.401 41.674 42.059 0.026 0.000 0.889 815 L HN 0.430 nan 8.230 nan 0.000 0.433 816 L N -0.598 120.578 121.223 -0.079 0.000 2.079 816 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 816 L C 2.734 179.563 176.870 -0.068 0.000 1.081 816 L CA 1.476 56.248 54.840 -0.115 0.000 0.752 816 L CB -0.900 41.074 42.059 -0.142 0.000 0.896 816 L HN 0.569 nan 8.230 nan 0.000 0.433 817 S N -0.239 115.440 115.700 -0.036 0.000 2.383 817 S HA -0.109 4.360 4.470 -0.001 0.000 0.227 817 S C 2.072 176.656 174.600 -0.027 0.000 1.026 817 S CA 0.947 59.136 58.200 -0.018 0.000 0.981 817 S CB -0.921 62.273 63.200 -0.011 0.000 0.818 817 S HN 0.426 nan 8.310 nan 0.000 0.472 818 G N 1.894 110.671 108.800 -0.038 0.000 2.402 818 G HA2 0.029 3.988 3.960 -0.001 0.000 0.216 818 G HA3 0.029 3.988 3.960 -0.001 0.000 0.216 818 G C 1.479 176.336 174.900 -0.072 0.000 1.162 818 G CA 0.780 45.850 45.100 -0.049 0.000 0.777 818 G HN 0.499 nan 8.290 nan 0.000 0.539 819 L N -0.120 121.052 121.223 -0.085 0.000 2.046 819 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 819 L C 2.923 179.742 176.870 -0.085 0.000 1.077 819 L CA 1.240 56.016 54.840 -0.106 0.000 0.747 819 L CB -0.439 41.518 42.059 -0.170 0.000 0.896 819 L HN 0.205 nan 8.230 nan 0.000 0.432 820 R N 0.356 120.816 120.500 -0.066 0.000 2.080 820 R HA -0.187 4.152 4.340 -0.001 0.000 0.236 820 R C 2.179 178.454 176.300 -0.041 0.000 1.137 820 R CA 1.611 57.688 56.100 -0.038 0.000 0.943 820 R CB -0.059 30.237 30.300 -0.006 0.000 0.846 820 R HN 0.271 nan 8.270 nan 0.000 0.431 821 E N 0.322 120.501 120.200 -0.035 0.000 2.150 821 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 821 E C 1.833 178.356 176.600 -0.128 0.000 0.985 821 E CA 1.190 57.559 56.400 -0.051 0.000 0.814 821 E CB -0.249 29.438 29.700 -0.021 0.000 0.752 821 E HN 0.487 nan 8.360 nan 0.000 0.466 822 A N 0.941 123.697 122.820 -0.106 0.000 1.933 822 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 822 A C 2.446 180.040 177.584 0.016 0.000 1.175 822 A CA 1.831 53.817 52.037 -0.084 0.000 0.628 822 A CB -0.909 18.018 19.000 -0.122 0.000 0.814 822 A HN 0.332 nan 8.150 nan 0.000 0.444 823 G N -0.594 108.182 108.800 -0.040 0.000 2.404 823 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.215 823 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.215 823 G C 1.724 176.515 174.900 -0.182 0.000 1.174 823 G CA 0.925 45.928 45.100 -0.162 0.000 0.780 823 G HN 0.566 nan 8.290 nan 0.000 0.537 824 R N 0.098 120.521 120.500 -0.127 0.000 2.096 824 R HA 0.030 4.369 4.340 -0.001 0.000 0.235 824 R C 2.451 178.696 176.300 -0.092 0.000 1.127 824 R CA 1.185 57.249 56.100 -0.060 0.000 0.968 824 R CB -0.310 30.012 30.300 0.037 0.000 0.861 824 R HN 0.426 nan 8.270 nan 0.000 0.440 825 I N 0.569 120.995 120.570 -0.239 0.000 2.233 825 I HA -0.167 4.002 4.170 -0.001 0.000 0.243 825 I C 2.573 178.713 176.117 0.038 0.000 1.093 825 I CA 1.079 62.216 61.300 -0.272 0.000 1.380 825 I CB -0.384 37.295 38.000 -0.534 0.000 1.067 825 I HN 0.277 nan 8.210 nan 0.000 0.413 826 A N 0.539 123.362 122.820 0.006 0.000 1.933 826 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 826 A C 1.909 179.482 177.584 -0.019 0.000 1.175 826 A CA 2.076 54.130 52.037 0.027 0.000 0.628 826 A CB -0.589 18.385 19.000 -0.044 0.000 0.814 826 A HN 0.332 nan 8.150 nan 0.000 0.444 827 D N -0.576 119.787 120.400 -0.061 0.000 2.144 827 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 827 D C 2.201 178.481 176.300 -0.035 0.000 0.984 827 D CA 1.179 55.143 54.000 -0.060 0.000 0.834 827 D CB -0.174 40.592 40.800 -0.058 0.000 0.955 827 D HN 0.390 nan 8.370 nan 0.000 0.465 828 Q N -0.805 118.993 119.800 -0.004 0.000 2.096 828 Q HA -0.004 4.335 4.340 -0.001 0.000 0.197 828 Q C 2.068 177.871 176.000 -0.329 0.000 0.964 828 Q CA 0.829 56.553 55.803 -0.132 0.000 0.838 828 Q CB -0.270 28.417 28.738 -0.085 0.000 0.906 828 Q HN 0.405 nan 8.270 nan 0.000 0.444 829 F N -1.081 118.860 119.950 -0.015 0.000 2.656 829 F HA 0.039 4.566 4.527 -0.001 0.000 0.291 829 F C 1.513 177.304 175.800 -0.014 0.000 1.122 829 F CA 0.167 58.164 58.000 -0.005 0.000 1.427 829 F CB 0.423 39.418 39.000 -0.008 0.000 1.125 829 F HN -0.016 nan 8.300 nan 0.000 0.583 830 L N -0.976 120.307 121.223 0.101 0.000 2.749 830 L HA 0.470 4.809 4.340 -0.001 0.000 0.242 830 L C 1.039 177.900 176.870 -0.015 0.000 1.103 830 L CA 0.404 55.266 54.840 0.038 0.000 0.906 830 L CB -0.230 41.839 42.059 0.016 0.000 1.228 830 L HN 0.123 nan 8.230 nan 0.000 0.517 831 G N 0.000 108.780 108.800 -0.033 0.000 5.446 831 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 831 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 831 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 831 G HN 0.000 nan 8.290 nan 0.000 0.925