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 3abu_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 XXITAEFLVK 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 AM 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 0.000 174.594 174.600 -0.010 0.000 1.055 172 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 172 S CB 0.000 63.150 63.200 -0.083 0.000 0.593 173 G N 2.191 111.000 108.800 0.015 0.000 2.484 173 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.215 173 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.215 173 G C 1.502 176.412 174.900 0.016 0.000 1.219 173 G CA 1.489 46.599 45.100 0.016 0.000 0.791 173 G HN 1.382 nan 8.290 nan 0.000 0.550 174 V N -0.884 119.046 119.914 0.027 0.000 2.594 174 V HA -0.062 4.057 4.120 -0.001 0.000 0.253 174 V C 2.252 178.371 176.094 0.042 0.000 1.069 174 V CA 2.583 64.883 62.300 -0.000 0.000 1.082 174 V CB -0.472 31.343 31.823 -0.013 0.000 0.680 174 V HN 0.520 nan 8.190 nan 0.000 0.469 175 E N 1.288 121.512 120.200 0.040 0.000 2.072 175 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 175 E C 2.247 178.855 176.600 0.014 0.000 0.982 175 E CA 1.264 57.654 56.400 -0.017 0.000 0.803 175 E CB -0.586 29.003 29.700 -0.185 0.000 0.755 175 E HN 0.649 nan 8.360 nan 0.000 0.453 176 G N 0.949 109.761 108.800 0.020 0.000 2.459 176 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.217 176 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.217 176 G C 1.683 176.662 174.900 0.130 0.000 1.183 176 G CA 1.126 46.274 45.100 0.080 0.000 0.776 176 G HN 0.418 nan 8.290 nan 0.000 0.552 177 A N 1.249 124.111 122.820 0.071 0.000 1.927 177 A HA 0.073 4.392 4.320 -0.001 0.000 0.220 177 A C 2.821 180.452 177.584 0.079 0.000 1.185 177 A CA 2.751 54.823 52.037 0.058 0.000 0.639 177 A CB -0.904 18.108 19.000 0.019 0.000 0.820 177 A HN 0.960 nan 8.150 nan 0.000 0.451 178 A N -1.667 121.215 122.820 0.103 0.000 1.969 178 A HA 0.028 4.347 4.320 -0.001 0.000 0.218 178 A C 2.026 179.704 177.584 0.157 0.000 1.169 178 A CA 1.579 53.690 52.037 0.124 0.000 0.635 178 A CB -0.613 18.490 19.000 0.171 0.000 0.810 178 A HN 0.739 nan 8.150 nan 0.000 0.445 179 F N 0.584 120.568 119.950 0.057 0.000 2.128 179 F HA -0.099 4.427 4.527 -0.001 0.000 0.295 179 F C 2.193 178.022 175.800 0.048 0.000 1.100 179 F CA 2.014 60.050 58.000 0.060 0.000 1.260 179 F CB -0.430 38.588 39.000 0.030 0.000 1.009 179 F HN 0.295 nan 8.300 nan 0.000 0.476 180 Q N 0.349 120.109 119.800 -0.066 0.000 2.439 180 Q HA -0.082 4.257 4.340 -0.001 0.000 0.211 180 Q C 1.265 177.152 176.000 -0.189 0.000 0.978 180 Q CA 1.547 57.238 55.803 -0.188 0.000 0.897 180 Q CB -0.545 28.182 28.738 -0.019 0.000 0.956 180 Q HN 0.320 nan 8.270 nan 0.000 0.483 181 S N -0.226 115.411 115.700 -0.105 0.000 2.568 181 S HA 0.263 4.732 4.470 -0.001 0.000 0.232 181 S C -0.406 174.166 174.600 -0.047 0.000 0.975 181 S CA -0.223 57.950 58.200 -0.045 0.000 0.949 181 S CB 0.124 63.343 63.200 0.032 0.000 0.829 181 S HN 0.457 nan 8.310 nan 0.000 0.479 182 R N 0.474 120.908 120.500 -0.111 0.000 3.525 182 R HA -0.155 4.184 4.340 -0.001 0.000 0.276 182 R C -0.942 175.418 176.300 0.100 0.000 1.116 182 R CA 0.546 56.653 56.100 0.013 0.000 0.745 182 R CB -2.091 28.286 30.300 0.128 0.000 1.185 182 R HN 0.360 nan 8.270 nan 0.000 0.454 183 L N 0.319 121.595 121.223 0.088 0.000 2.354 183 L HA 0.601 4.940 4.340 -0.001 0.000 0.264 183 L C -2.103 174.868 176.870 0.169 0.000 1.008 183 L CA -2.387 52.529 54.840 0.125 0.000 0.819 183 L CB 2.217 44.336 42.059 0.101 0.000 1.339 183 L HN -0.202 nan 8.230 nan 0.000 0.420 184 P HA 0.106 nan 4.420 nan 0.000 0.287 184 P C 0.093 177.476 177.300 0.138 0.000 1.307 184 P CA -0.221 62.985 63.100 0.175 0.000 0.777 184 P CB 0.611 32.378 31.700 0.111 0.000 0.883 185 H N 3.881 123.010 119.070 0.100 0.000 2.457 185 H HA -0.141 4.415 4.556 -0.002 0.000 0.297 185 H C 0.310 175.681 175.328 0.071 0.000 1.092 185 H CA 1.722 57.817 56.048 0.078 0.000 1.309 185 H CB -0.493 29.318 29.762 0.081 0.000 1.382 185 H HN 0.328 nan 8.280 nan 0.000 0.535 186 D N 0.179 120.113 120.400 -0.776 0.000 2.463 186 D HA 0.111 4.750 4.640 -0.001 0.000 0.224 186 D C 0.626 176.811 176.300 -0.191 0.000 1.174 186 D CA -0.517 53.162 54.000 -0.534 0.000 0.829 186 D CB 0.138 40.524 40.800 -0.690 0.000 0.993 186 D HN 0.688 nan 8.370 nan 0.000 0.497 187 R N -1.899 118.545 120.500 -0.094 0.000 2.728 187 R HA 0.525 4.864 4.340 -0.001 0.000 0.274 187 R C -1.291 175.018 176.300 0.015 0.000 1.030 187 R CA -0.949 55.134 56.100 -0.029 0.000 0.876 187 R CB 0.617 30.899 30.300 -0.030 0.000 1.259 187 R HN -0.111 nan 8.270 nan 0.000 0.468 188 M N 1.618 121.219 119.600 0.003 0.000 2.367 188 M HA 0.301 4.780 4.480 -0.001 0.000 0.339 188 M C 0.209 176.509 176.300 -0.000 0.000 1.177 188 M CA -0.764 54.535 55.300 -0.001 0.000 1.068 188 M CB 2.095 34.628 32.600 -0.111 0.000 1.602 188 M HN 0.840 nan 8.290 nan 0.000 0.457 189 T N -1.628 112.938 114.554 0.019 0.000 2.849 189 T HA 0.179 4.528 4.350 -0.001 0.000 0.284 189 T C 1.245 175.955 174.700 0.016 0.000 1.004 189 T CA -0.309 61.815 62.100 0.038 0.000 1.021 189 T CB 0.988 69.902 68.868 0.077 0.000 1.013 189 T HN 0.804 nan 8.240 nan 0.000 0.527 190 S N 0.545 116.264 115.700 0.031 0.000 2.400 190 S HA -0.219 4.250 4.470 -0.001 0.000 0.232 190 S C 1.864 176.482 174.600 0.030 0.000 1.025 190 S CA 0.963 59.176 58.200 0.023 0.000 0.993 190 S CB -0.736 62.484 63.200 0.033 0.000 0.808 190 S HN 0.746 nan 8.310 nan 0.000 0.478 191 Q N 1.204 121.038 119.800 0.057 0.000 1.942 191 Q HA -0.144 4.195 4.340 -0.001 0.000 0.203 191 Q C 2.383 178.410 176.000 0.045 0.000 0.987 191 Q CA 1.963 57.820 55.803 0.090 0.000 0.844 191 Q CB -0.378 28.451 28.738 0.152 0.000 0.911 191 Q HN 0.777 nan 8.270 nan 0.000 0.423 192 E N 0.518 120.690 120.200 -0.046 0.000 2.171 192 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 192 E C 1.831 178.346 176.600 -0.141 0.000 0.997 192 E CA 0.953 57.206 56.400 -0.245 0.000 0.810 192 E CB -0.187 29.331 29.700 -0.304 0.000 0.738 192 E HN 0.346 nan 8.360 nan 0.000 0.467 193 A N 1.489 124.244 122.820 -0.109 0.000 1.933 193 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 193 A C 2.389 179.953 177.584 -0.033 0.000 1.175 193 A CA 1.641 53.622 52.037 -0.093 0.000 0.628 193 A CB -0.518 18.443 19.000 -0.065 0.000 0.814 193 A HN 0.305 nan 8.150 nan 0.000 0.444 194 A N -1.103 121.719 122.820 0.004 0.000 1.872 194 A HA -0.106 4.214 4.320 -0.001 0.000 0.214 194 A C 2.231 179.825 177.584 0.016 0.000 1.187 194 A CA 1.572 53.619 52.037 0.018 0.000 0.614 194 A CB -1.116 17.910 19.000 0.043 0.000 0.826 194 A HN 0.603 nan 8.150 nan 0.000 0.442 195 C N -1.957 117.378 119.300 0.058 0.000 2.448 195 C HA 0.151 4.610 4.460 -0.001 0.000 0.280 195 C C 0.651 175.483 174.990 -0.264 0.000 1.398 195 C CA 0.086 59.090 59.018 -0.023 0.000 1.774 195 C CB -1.412 26.396 27.740 0.114 0.000 1.888 195 C HN 0.495 nan 8.230 nan 0.000 0.519 196 F N 0.931 120.758 119.950 -0.205 0.000 2.679 196 F HA 0.282 4.808 4.527 -0.001 0.000 0.354 196 F C -1.213 174.457 175.800 -0.218 0.000 1.423 196 F CA -2.533 55.327 58.000 -0.235 0.000 1.141 196 F CB -0.274 38.465 39.000 -0.435 0.000 1.168 196 F HN 0.068 nan 8.300 nan 0.000 0.530 197 P HA -0.188 nan 4.420 nan 0.000 0.223 197 P C 0.953 178.229 177.300 -0.041 0.000 1.144 197 P CA 1.499 64.573 63.100 -0.043 0.000 0.783 197 P CB 0.202 31.877 31.700 -0.041 0.000 0.771 198 D N -0.287 120.092 120.400 -0.034 0.000 2.277 198 D HA -0.072 4.567 4.640 -0.001 0.000 0.208 198 D C 1.934 178.224 176.300 -0.017 0.000 0.962 198 D CA 0.594 54.581 54.000 -0.022 0.000 0.865 198 D CB -0.533 40.258 40.800 -0.015 0.000 0.939 198 D HN 0.270 nan 8.370 nan 0.000 0.510 199 I N 0.115 120.665 120.570 -0.034 0.000 2.556 199 I HA -0.083 4.086 4.170 -0.001 0.000 0.251 199 I C 2.525 178.580 176.117 -0.104 0.000 1.105 199 I CA -0.140 61.119 61.300 -0.068 0.000 1.436 199 I CB 0.035 37.949 38.000 -0.144 0.000 1.139 199 I HN -0.106 nan 8.210 nan 0.000 0.438 200 I N 1.566 122.053 120.570 -0.138 0.000 2.151 200 I HA -0.225 3.944 4.170 -0.001 0.000 0.243 200 I C 1.608 177.684 176.117 -0.068 0.000 1.080 200 I CA 1.892 63.119 61.300 -0.121 0.000 1.339 200 I CB -0.340 37.590 38.000 -0.117 0.000 1.039 200 I HN 0.233 nan 8.210 nan 0.000 0.409 201 S N 0.752 116.422 115.700 -0.051 0.000 3.334 201 S HA 0.638 5.107 4.470 -0.001 0.000 0.188 201 S C 0.075 174.660 174.600 -0.025 0.000 1.404 201 S CA -0.087 58.093 58.200 -0.033 0.000 1.040 201 S CB -0.093 63.091 63.200 -0.028 0.000 1.352 201 S HN 0.574 nan 8.310 nan 0.000 0.501 202 G N 1.221 110.008 108.800 -0.022 0.000 2.619 202 G HA2 0.601 4.561 3.960 -0.001 0.000 0.305 202 G HA3 0.601 4.561 3.960 -0.001 0.000 0.305 202 G C -3.425 171.472 174.900 -0.005 0.000 1.330 202 G CA -1.381 43.712 45.100 -0.011 0.000 0.789 202 G HN 0.204 nan 8.290 nan 0.000 0.487 203 P HA 0.048 nan 4.420 nan 0.000 0.255 203 P C 0.739 178.047 177.300 0.013 0.000 1.161 203 P CA 0.330 63.437 63.100 0.010 0.000 0.768 203 P CB 0.800 32.511 31.700 0.018 0.000 0.746 204 Q N 3.612 123.417 119.800 0.009 0.000 2.297 204 Q HA -0.297 4.042 4.340 -0.001 0.000 0.208 204 Q C 1.736 177.752 176.000 0.027 0.000 0.981 204 Q CA 1.601 57.410 55.803 0.010 0.000 0.876 204 Q CB -0.578 28.163 28.738 0.006 0.000 0.921 204 Q HN 0.267 nan 8.270 nan 0.000 0.446 205 Q N 0.546 120.364 119.800 0.030 0.000 2.224 205 Q HA -0.079 4.261 4.340 -0.001 0.000 0.203 205 Q C 1.552 177.594 176.000 0.069 0.000 0.970 205 Q CA 2.268 58.097 55.803 0.043 0.000 0.865 205 Q CB -0.589 28.169 28.738 0.033 0.000 0.922 205 Q HN 0.539 nan 8.270 nan 0.000 0.445 206 T N 0.327 114.921 114.554 0.067 0.000 2.851 206 T HA -0.078 4.271 4.350 -0.001 0.000 0.262 206 T C 1.548 176.324 174.700 0.126 0.000 1.043 206 T CA 1.161 63.320 62.100 0.099 0.000 1.140 206 T CB -0.072 68.844 68.868 0.079 0.000 0.872 206 T HN 0.414 nan 8.240 nan 0.000 0.446 207 Q N 0.863 120.708 119.800 0.075 0.000 2.096 207 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 207 Q C 2.318 178.407 176.000 0.149 0.000 0.982 207 Q CA 1.529 57.376 55.803 0.073 0.000 0.850 207 Q CB -0.217 28.523 28.738 0.004 0.000 0.901 207 Q HN 0.274 nan 8.270 nan 0.000 0.422 208 K N 0.705 121.174 120.400 0.115 0.000 2.044 208 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 208 K C 1.801 178.509 176.600 0.179 0.000 1.049 208 K CA 1.582 57.941 56.287 0.120 0.000 0.927 208 K CB -0.361 32.193 32.500 0.089 0.000 0.713 208 K HN 0.076 nan 8.250 nan 0.000 0.443 209 V N 0.840 120.883 119.914 0.215 0.000 2.295 209 V HA -0.186 3.934 4.120 -0.001 0.000 0.246 209 V C 2.125 178.363 176.094 0.240 0.000 1.049 209 V CA 1.965 64.441 62.300 0.293 0.000 1.024 209 V CB -0.859 31.148 31.823 0.307 0.000 0.648 209 V HN 0.362 nan 8.190 nan 0.000 0.447 210 F N 0.939 120.927 119.950 0.063 0.000 2.043 210 F HA -0.260 4.266 4.527 -0.002 0.000 0.297 210 F C 2.129 177.888 175.800 -0.068 0.000 1.118 210 F CA 1.977 59.958 58.000 -0.032 0.000 1.202 210 F CB -0.454 38.479 39.000 -0.111 0.000 0.965 210 F HN 0.014 nan 8.300 nan 0.000 0.482 211 L N -0.959 120.294 121.223 0.049 0.000 2.012 211 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 211 L C 2.503 179.296 176.870 -0.128 0.000 1.073 211 L CA 1.766 56.557 54.840 -0.081 0.000 0.748 211 L CB -1.008 41.100 42.059 0.082 0.000 0.891 211 L HN 0.274 nan 8.230 nan 0.000 0.431 212 F N 0.497 120.347 119.950 -0.167 0.000 2.216 212 F HA -0.226 4.300 4.527 -0.001 0.000 0.300 212 F C 2.289 177.899 175.800 -0.317 0.000 1.085 212 F CA 1.192 59.049 58.000 -0.238 0.000 1.326 212 F CB -0.011 38.790 39.000 -0.332 0.000 1.027 212 F HN -0.087 nan 8.300 nan 0.000 0.497 213 I N 0.427 120.786 120.570 -0.352 0.000 2.202 213 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 213 I C 2.630 178.499 176.117 -0.412 0.000 1.091 213 I CA 1.258 62.334 61.300 -0.373 0.000 1.368 213 I CB -1.422 36.465 38.000 -0.188 0.000 1.058 213 I HN 0.175 nan 8.210 nan 0.000 0.410 214 R N 1.605 121.804 120.500 -0.501 0.000 2.082 214 R HA -0.210 4.130 4.340 -0.001 0.000 0.234 214 R C 1.868 177.995 176.300 -0.289 0.000 1.136 214 R CA 2.046 57.887 56.100 -0.432 0.000 0.935 214 R CB -0.424 29.532 30.300 -0.573 0.000 0.842 214 R HN 0.354 nan 8.270 nan 0.000 0.430 215 N N 0.606 119.137 118.700 -0.282 0.000 2.205 215 N HA -0.177 4.562 4.740 -0.001 0.000 0.186 215 N C 1.832 177.170 175.510 -0.286 0.000 1.015 215 N CA 1.120 54.046 53.050 -0.206 0.000 0.862 215 N CB -0.389 38.019 38.487 -0.132 0.000 0.986 215 N HN 0.167 nan 8.380 nan 0.000 0.429 216 R N 0.516 120.714 120.500 -0.503 0.000 2.093 216 R HA 0.123 4.462 4.340 -0.001 0.000 0.224 216 R C 1.825 177.975 176.300 -0.250 0.000 1.101 216 R CA 1.252 57.049 56.100 -0.506 0.000 0.979 216 R CB -0.820 28.952 30.300 -0.880 0.000 0.877 216 R HN 0.145 nan 8.270 nan 0.000 0.441 217 T N 1.262 115.693 114.554 -0.205 0.000 2.668 217 T HA -0.067 4.282 4.350 -0.001 0.000 0.262 217 T C 1.812 176.496 174.700 -0.028 0.000 1.045 217 T CA 1.544 63.592 62.100 -0.087 0.000 1.152 217 T CB -0.315 68.504 68.868 -0.081 0.000 0.864 217 T HN 0.113 nan 8.240 nan 0.000 0.419 218 L N 1.006 122.207 121.223 -0.036 0.000 2.021 218 L HA -0.264 4.075 4.340 -0.001 0.000 0.215 218 L C 2.947 179.875 176.870 0.095 0.000 1.074 218 L CA 1.760 56.641 54.840 0.068 0.000 0.760 218 L CB -0.765 41.319 42.059 0.043 0.000 0.889 218 L HN 0.351 nan 8.230 nan 0.000 0.433 219 Q N 0.437 120.240 119.800 0.004 0.000 2.029 219 Q HA -0.267 4.072 4.340 -0.001 0.000 0.209 219 Q C 2.380 178.386 176.000 0.010 0.000 0.999 219 Q CA 2.166 57.964 55.803 -0.009 0.000 0.857 219 Q CB -0.246 28.459 28.738 -0.056 0.000 0.926 219 Q HN 0.475 nan 8.270 nan 0.000 0.415 220 L N -0.145 121.087 121.223 0.015 0.000 1.997 220 L HA -0.270 4.070 4.340 -0.001 0.000 0.216 220 L C 2.472 179.392 176.870 0.083 0.000 1.074 220 L CA 1.984 56.846 54.840 0.036 0.000 0.763 220 L CB -1.033 41.053 42.059 0.044 0.000 0.890 220 L HN 0.605 nan 8.230 nan 0.000 0.434 221 W N 1.151 122.395 121.300 -0.093 0.000 2.332 221 W HA -0.241 4.418 4.660 -0.002 0.000 0.321 221 W C 2.217 178.661 176.519 -0.125 0.000 1.219 221 W CA 1.500 58.769 57.345 -0.128 0.000 1.277 221 W CB -0.315 29.057 29.460 -0.147 0.000 1.161 221 W HN 0.093 nan 8.180 nan 0.000 0.476 222 L N 0.861 121.991 121.223 -0.155 0.000 2.083 222 L HA -0.231 4.108 4.340 -0.001 0.000 0.209 222 L C 1.716 178.434 176.870 -0.254 0.000 1.083 222 L CA 1.509 56.161 54.840 -0.314 0.000 0.752 222 L CB -0.995 41.002 42.059 -0.104 0.000 0.899 222 L HN -0.136 nan 8.230 nan 0.000 0.433 223 D N 0.096 120.410 120.400 -0.143 0.000 2.371 223 D HA -0.039 4.600 4.640 -0.001 0.000 0.234 223 D C 0.175 176.394 176.300 -0.135 0.000 1.049 223 D CA 0.645 54.578 54.000 -0.112 0.000 0.907 223 D CB -0.175 40.590 40.800 -0.059 0.000 0.891 223 D HN 0.175 nan 8.370 nan 0.000 0.531 224 N N -0.433 118.136 118.700 -0.219 0.000 4.007 224 N HA -0.017 4.722 4.740 -0.001 0.000 0.141 224 N C -2.631 172.654 175.510 -0.375 0.000 1.418 224 N CA -0.547 52.371 53.050 -0.219 0.000 1.130 224 N CB 0.672 39.093 38.487 -0.109 0.000 1.740 224 N HN -0.171 nan 8.380 nan 0.000 0.731 225 P HA 0.109 nan 4.420 nan 0.000 0.253 225 P C 0.544 177.495 177.300 -0.582 0.000 1.260 225 P CA 0.267 62.683 63.100 -1.139 0.000 0.800 225 P CB 0.413 31.334 31.700 -1.298 0.000 1.162 226 K N -0.744 119.496 120.400 -0.266 0.000 2.305 226 K HA 0.106 4.425 4.320 -0.001 0.000 0.199 226 K C 1.000 177.641 176.600 0.068 0.000 1.047 226 K CA 0.403 56.645 56.287 -0.075 0.000 0.976 226 K CB 0.299 32.759 32.500 -0.067 0.000 0.765 226 K HN 0.201 nan 8.250 nan 0.000 0.474 227 I N 1.596 122.201 120.570 0.057 0.000 2.509 227 I HA 0.065 4.234 4.170 -0.001 0.000 0.293 227 I C -0.667 175.556 176.117 0.177 0.000 1.020 227 I CA -0.793 60.594 61.300 0.146 0.000 1.088 227 I CB 1.871 39.919 38.000 0.081 0.000 1.267 227 I HN 0.109 nan 8.210 nan 0.000 0.430 228 Q N 6.128 126.072 119.800 0.239 0.000 2.247 228 Q HA 0.027 4.366 4.340 -0.001 0.000 0.288 228 Q C -1.290 174.748 176.000 0.064 0.000 1.079 228 Q CA -0.101 55.725 55.803 0.039 0.000 0.932 228 Q CB 0.618 29.496 28.738 0.233 0.000 1.133 228 Q HN 0.579 nan 8.270 nan 0.000 0.377 229 L N 5.526 126.767 121.223 0.029 0.000 2.278 229 L HA 0.304 4.643 4.340 -0.001 0.000 0.287 229 L C -0.362 176.618 176.870 0.183 0.000 1.072 229 L CA 0.188 55.092 54.840 0.106 0.000 0.819 229 L CB 1.069 43.203 42.059 0.126 0.000 1.176 229 L HN 0.799 nan 8.230 nan 0.000 0.435 230 T N 1.290 115.960 114.554 0.194 0.000 2.936 230 T HA 0.240 4.589 4.350 -0.001 0.000 0.282 230 T C 0.840 175.527 174.700 -0.021 0.000 1.003 230 T CA -0.430 61.779 62.100 0.182 0.000 1.005 230 T CB 0.753 69.661 68.868 0.067 0.000 1.097 230 T HN 0.488 nan 8.240 nan 0.000 0.532 231 F N 0.666 120.208 119.950 -0.679 0.000 2.171 231 F HA -0.010 4.516 4.527 -0.002 0.000 0.300 231 F C 2.170 177.807 175.800 -0.272 0.000 1.090 231 F CA 1.761 59.236 58.000 -0.874 0.000 1.293 231 F CB -0.558 38.043 39.000 -0.665 0.000 1.013 231 F HN 0.891 nan 8.300 nan 0.000 0.486 232 E N 0.192 120.128 120.200 -0.440 0.000 2.015 232 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 232 E C 2.362 178.826 176.600 -0.228 0.000 0.991 232 E CA 1.098 57.246 56.400 -0.421 0.000 0.802 232 E CB -0.430 29.137 29.700 -0.221 0.000 0.759 232 E HN 0.404 nan 8.360 nan 0.000 0.447 233 A N 0.276 123.032 122.820 -0.106 0.000 1.978 233 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 233 A C 2.343 179.917 177.584 -0.017 0.000 1.170 233 A CA 2.152 54.168 52.037 -0.035 0.000 0.636 233 A CB -0.958 18.052 19.000 0.017 0.000 0.810 233 A HN 0.359 nan 8.150 nan 0.000 0.448 234 T N -0.101 114.451 114.554 -0.004 0.000 2.701 234 T HA -0.119 4.230 4.350 -0.001 0.000 0.263 234 T C 1.813 176.516 174.700 0.005 0.000 1.040 234 T CA 1.439 63.568 62.100 0.049 0.000 1.147 234 T CB -0.414 68.555 68.868 0.168 0.000 0.865 234 T HN 0.281 nan 8.240 nan 0.000 0.426 235 L N 1.238 122.419 121.223 -0.071 0.000 2.129 235 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 235 L C 2.223 179.070 176.870 -0.038 0.000 1.087 235 L CA 1.745 56.541 54.840 -0.073 0.000 0.757 235 L CB -0.582 41.329 42.059 -0.246 0.000 0.896 235 L HN 0.295 nan 8.230 nan 0.000 0.434 236 Q N -1.661 118.108 119.800 -0.053 0.000 2.403 236 Q HA -0.051 4.288 4.340 -0.001 0.000 0.203 236 Q C 1.540 177.545 176.000 0.007 0.000 0.932 236 Q CA 0.383 56.172 55.803 -0.024 0.000 0.945 236 Q CB 0.253 28.969 28.738 -0.037 0.000 1.045 236 Q HN 0.641 nan 8.270 nan 0.000 0.511 237 Q N -0.549 119.262 119.800 0.018 0.000 2.280 237 Q HA 0.209 4.548 4.340 -0.001 0.000 0.228 237 Q C -0.016 176.017 176.000 0.055 0.000 0.857 237 Q CA -0.177 55.644 55.803 0.031 0.000 0.939 237 Q CB 0.929 29.680 28.738 0.022 0.000 1.114 237 Q HN 0.245 nan 8.270 nan 0.000 0.514 238 L N 2.422 123.689 121.223 0.072 0.000 2.464 238 L HA 0.083 4.422 4.340 -0.001 0.000 0.264 238 L C 0.615 177.598 176.870 0.189 0.000 1.199 238 L CA -0.228 54.692 54.840 0.133 0.000 0.818 238 L CB 0.410 42.566 42.059 0.162 0.000 1.102 238 L HN 0.177 nan 8.230 nan 0.000 0.473 239 E N 1.754 122.135 120.200 0.302 0.000 2.239 239 E HA 0.521 4.870 4.350 -0.001 0.000 0.261 239 E C -0.653 176.104 176.600 0.261 0.000 1.016 239 E CA -0.972 55.579 56.400 0.252 0.000 0.882 239 E CB 1.192 31.035 29.700 0.239 0.000 1.190 239 E HN 0.520 nan 8.360 nan 0.000 0.415 240 A N 1.904 124.786 122.820 0.102 0.000 2.520 240 A HA 0.222 4.541 4.320 -0.001 0.000 0.235 240 A C -1.363 176.102 177.584 -0.198 0.000 1.065 240 A CA -0.687 51.339 52.037 -0.019 0.000 0.764 240 A CB -0.303 18.681 19.000 -0.027 0.000 1.002 240 A HN 0.637 nan 8.150 nan 0.000 0.502 241 P HA 0.010 nan 4.420 nan 0.000 0.255 241 P C 0.397 177.555 177.300 -0.235 0.000 1.248 241 P CA 0.573 63.486 63.100 -0.311 0.000 0.807 241 P CB 0.034 31.542 31.700 -0.320 0.000 1.150 242 Y N 3.123 123.480 120.300 0.095 0.000 2.081 242 Y HA -0.261 4.288 4.550 -0.002 0.000 0.280 242 Y C 2.383 178.346 175.900 0.106 0.000 1.163 242 Y CA 2.035 60.213 58.100 0.130 0.000 1.135 242 Y CB -2.394 36.192 38.460 0.210 0.000 0.970 242 Y HN 0.160 nan 8.280 nan 0.000 0.498 243 N N -0.643 118.201 118.700 0.239 0.000 2.405 243 N HA -0.211 4.529 4.740 -0.001 0.000 0.189 243 N C 1.439 177.008 175.510 0.099 0.000 1.021 243 N CA 1.243 54.380 53.050 0.145 0.000 0.891 243 N CB -0.453 38.097 38.487 0.104 0.000 0.955 243 N HN 0.220 nan 8.380 nan 0.000 0.443 244 S N 0.020 115.770 115.700 0.084 0.000 2.478 244 S HA -0.052 4.417 4.470 -0.001 0.000 0.222 244 S C 0.458 175.109 174.600 0.085 0.000 1.008 244 S CA 0.126 58.363 58.200 0.060 0.000 0.928 244 S CB 0.097 63.313 63.200 0.026 0.000 0.781 244 S HN 0.286 nan 8.310 nan 0.000 0.518 245 D N 2.088 122.560 120.400 0.121 0.000 2.713 245 D HA 0.214 4.853 4.640 -0.001 0.000 0.229 245 D C 0.893 177.300 176.300 0.178 0.000 1.136 245 D CA 0.062 54.146 54.000 0.141 0.000 1.010 245 D CB 0.027 40.926 40.800 0.165 0.000 1.084 245 D HN 0.040 nan 8.370 nan 0.000 0.495 246 T N 0.268 114.920 114.554 0.164 0.000 2.597 246 T HA -0.187 4.162 4.350 -0.001 0.000 0.267 246 T C 2.114 176.992 174.700 0.297 0.000 1.053 246 T CA 1.443 63.681 62.100 0.231 0.000 1.165 246 T CB -0.089 68.889 68.868 0.183 0.000 0.863 246 T HN 0.219 nan 8.240 nan 0.000 0.427 247 V N 1.555 121.583 119.914 0.191 0.000 2.220 247 V HA -0.220 3.899 4.120 -0.001 0.000 0.250 247 V C 2.475 178.690 176.094 0.200 0.000 1.056 247 V CA 1.880 64.265 62.300 0.142 0.000 1.016 247 V CB -0.833 31.039 31.823 0.082 0.000 0.639 247 V HN 0.427 nan 8.190 nan 0.000 0.446 248 L N -0.381 120.970 121.223 0.213 0.000 1.971 248 L HA -0.238 4.101 4.340 -0.001 0.000 0.215 248 L C 2.513 179.548 176.870 0.274 0.000 1.072 248 L CA 2.104 57.100 54.840 0.259 0.000 0.758 248 L CB -0.393 41.817 42.059 0.252 0.000 0.889 248 L HN 0.242 nan 8.230 nan 0.000 0.433 249 V N -0.379 119.702 119.914 0.278 0.000 2.222 249 V HA -0.453 3.666 4.120 -0.001 0.000 0.252 249 V C 2.515 178.798 176.094 0.315 0.000 1.060 249 V CA 2.416 64.893 62.300 0.295 0.000 1.027 249 V CB -1.132 30.902 31.823 0.352 0.000 0.644 249 V HN 0.619 nan 8.190 nan 0.000 0.448 250 H N 0.978 120.160 119.070 0.187 0.000 2.257 250 H HA -0.225 4.330 4.556 -0.002 0.000 0.292 250 H C 2.603 177.875 175.328 -0.093 0.000 1.075 250 H CA 2.709 58.515 56.048 -0.403 0.000 1.212 250 H CB -0.279 28.975 29.762 -0.846 0.000 1.354 250 H HN 0.335 nan 8.280 nan 0.000 0.497 251 R N -0.318 120.334 120.500 0.254 0.000 2.153 251 R HA -0.158 4.182 4.340 -0.001 0.000 0.252 251 R C 2.619 179.173 176.300 0.422 0.000 1.158 251 R CA 1.766 58.041 56.100 0.292 0.000 0.975 251 R CB -0.312 30.172 30.300 0.307 0.000 0.871 251 R HN 0.220 nan 8.270 nan 0.000 0.450 252 V N -0.079 120.057 119.914 0.370 0.000 2.256 252 V HA -0.229 3.890 4.120 -0.001 0.000 0.240 252 V C 2.408 178.627 176.094 0.208 0.000 1.036 252 V CA 1.810 64.270 62.300 0.267 0.000 1.008 252 V CB -0.820 30.990 31.823 -0.022 0.000 0.648 252 V HN 0.433 nan 8.190 nan 0.000 0.453 253 H N 0.833 119.919 119.070 0.026 0.000 2.357 253 H HA -0.182 4.373 4.556 -0.002 0.000 0.296 253 H C 2.328 177.605 175.328 -0.086 0.000 1.108 253 H CA 2.398 58.428 56.048 -0.031 0.000 1.273 253 H CB -0.166 29.600 29.762 0.007 0.000 1.367 253 H HN 0.432 nan 8.280 nan 0.000 0.498 254 S N 0.186 115.918 115.700 0.052 0.000 2.349 254 S HA -0.208 4.261 4.470 -0.001 0.000 0.216 254 S C 1.971 176.590 174.600 0.033 0.000 1.033 254 S CA 1.291 59.462 58.200 -0.049 0.000 1.021 254 S CB -1.143 61.948 63.200 -0.183 0.000 0.968 254 S HN 0.638 nan 8.310 nan 0.000 0.426 255 Y N 2.609 122.961 120.300 0.087 0.000 2.062 255 Y HA -0.308 4.241 4.550 -0.001 0.000 0.273 255 Y C 2.001 177.984 175.900 0.138 0.000 1.206 255 Y CA 1.812 60.030 58.100 0.197 0.000 1.125 255 Y CB -0.680 38.006 38.460 0.376 0.000 0.951 255 Y HN 0.152 nan 8.280 nan 0.000 0.501 256 L N 0.024 121.255 121.223 0.013 0.000 2.043 256 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 256 L C 2.639 179.372 176.870 -0.229 0.000 1.075 256 L CA 2.053 56.795 54.840 -0.162 0.000 0.752 256 L CB -0.722 41.251 42.059 -0.143 0.000 0.891 256 L HN 0.400 nan 8.230 nan 0.000 0.432 257 E N 0.228 120.276 120.200 -0.253 0.000 2.047 257 E HA -0.268 4.081 4.350 -0.001 0.000 0.191 257 E C 2.296 178.860 176.600 -0.060 0.000 0.987 257 E CA 0.899 57.176 56.400 -0.205 0.000 0.799 257 E CB 0.089 29.654 29.700 -0.225 0.000 0.752 257 E HN 0.128 nan 8.360 nan 0.000 0.449 258 R N 0.408 120.802 120.500 -0.177 0.000 2.105 258 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 258 R C 1.318 177.462 176.300 -0.261 0.000 1.135 258 R CA 1.708 57.614 56.100 -0.322 0.000 0.967 258 R CB -0.410 29.680 30.300 -0.350 0.000 0.861 258 R HN 0.380 nan 8.270 nan 0.000 0.442 259 H N -1.258 117.668 119.070 -0.240 0.000 2.519 259 H HA 0.226 4.781 4.556 -0.001 0.000 0.289 259 H C 0.489 175.710 175.328 -0.179 0.000 1.040 259 H CA 0.382 56.290 56.048 -0.233 0.000 1.165 259 H CB 0.198 29.690 29.762 -0.451 0.000 1.462 259 H HN 0.455 nan 8.280 nan 0.000 0.555 260 G N 1.710 110.489 108.800 -0.034 0.000 2.305 260 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.287 260 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.287 260 G C 0.871 175.656 174.900 -0.192 0.000 1.036 260 G CA 0.356 45.403 45.100 -0.089 0.000 0.887 260 G HN 0.454 nan 8.290 nan 0.000 0.505 261 L N -0.926 120.235 121.223 -0.103 0.000 2.513 261 L HA 0.419 4.758 4.340 -0.001 0.000 0.222 261 L C 1.407 178.285 176.870 0.013 0.000 1.096 261 L CA 0.662 55.482 54.840 -0.033 0.000 0.857 261 L CB -0.010 42.012 42.059 -0.061 0.000 1.026 261 L HN 0.588 nan 8.230 nan 0.000 0.469 262 I N -5.757 114.599 120.570 -0.357 0.000 2.994 262 I HA 0.428 4.597 4.170 -0.001 0.000 0.306 262 I C -0.963 174.322 176.117 -1.386 0.000 1.195 262 I CA -1.088 59.312 61.300 -1.500 0.000 1.001 262 I CB 1.780 39.083 38.000 -1.161 0.000 1.244 262 I HN -0.147 nan 8.210 nan 0.000 0.437 263 N N 2.994 120.059 118.700 -2.725 0.000 2.641 263 N HA -0.203 4.536 4.740 -0.001 0.000 0.267 263 N C -1.297 174.004 175.510 -0.349 0.000 1.087 263 N CA 1.601 53.714 53.050 -1.561 0.000 0.731 263 N CB -1.071 36.928 38.487 -0.813 0.000 0.886 263 N HN 0.758 nan 8.380 nan 0.000 0.547 264 F N -3.140 116.844 119.950 0.056 0.000 2.668 264 F HA 0.801 5.327 4.527 -0.002 0.000 0.309 264 F C 0.847 176.949 175.800 0.503 0.000 1.117 264 F CA 0.095 58.277 58.000 0.303 0.000 0.951 264 F CB 1.076 40.138 39.000 0.103 0.000 1.323 264 F HN 0.319 nan 8.300 nan 0.000 0.451 265 G N 1.577 110.666 108.800 0.482 0.000 2.603 265 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.245 265 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.245 265 G C -1.216 173.779 174.900 0.159 0.000 1.195 265 G CA -0.226 45.047 45.100 0.288 0.000 0.953 265 G HN 1.237 nan 8.290 nan 0.000 0.566 266 I N 1.220 121.863 120.570 0.121 0.000 2.500 266 I HA 0.622 4.791 4.170 -0.001 0.000 0.286 266 I C -0.556 175.591 176.117 0.050 0.000 1.063 266 I CA -0.892 60.392 61.300 -0.028 0.000 1.062 266 I CB 1.683 39.662 38.000 -0.034 0.000 1.223 266 I HN 0.802 nan 8.210 nan 0.000 0.435 267 Y N 2.907 123.224 120.300 0.028 0.000 2.615 267 Y HA 0.598 5.148 4.550 -0.001 0.000 0.341 267 Y C -0.804 175.117 175.900 0.034 0.000 1.089 267 Y CA -1.534 56.586 58.100 0.032 0.000 1.049 267 Y CB 0.960 39.490 38.460 0.116 0.000 1.296 267 Y HN 0.219 nan 8.280 nan 0.000 0.470 268 K N 2.333 122.850 120.400 0.194 0.000 2.368 268 K HA 0.257 4.576 4.320 -0.001 0.000 0.282 268 K C -0.537 176.190 176.600 0.213 0.000 1.035 268 K CA -0.323 56.034 56.287 0.116 0.000 0.973 268 K CB 0.736 33.290 32.500 0.091 0.000 0.957 268 K HN 0.717 nan 8.250 nan 0.000 0.474 269 R N 3.463 124.035 120.500 0.120 0.000 2.234 269 R HA 0.105 4.444 4.340 -0.001 0.000 0.324 269 R C 1.420 177.791 176.300 0.119 0.000 1.054 269 R CA -0.277 55.920 56.100 0.162 0.000 0.912 269 R CB 0.475 30.828 30.300 0.088 0.000 1.030 269 R HN 0.575 nan 8.270 nan 0.000 0.455 270 I N -0.914 119.734 120.570 0.130 0.000 3.603 270 I HA 0.133 4.302 4.170 -0.001 0.000 0.297 270 I C 0.013 176.177 176.117 0.078 0.000 1.269 270 I CA 0.814 62.167 61.300 0.088 0.000 1.361 270 I CB -0.157 37.892 38.000 0.081 0.000 1.063 270 I HN 0.338 nan 8.210 nan 0.000 0.448 271 K N 2.973 123.431 120.400 0.096 0.000 2.540 271 K HA 0.483 4.802 4.320 -0.001 0.000 0.218 271 K C -2.491 174.158 176.600 0.081 0.000 1.017 271 K CA -1.718 54.620 56.287 0.085 0.000 1.029 271 K CB 1.338 33.896 32.500 0.097 0.000 1.348 271 K HN -0.009 nan 8.250 nan 0.000 0.508 272 P HA -0.090 nan 4.420 nan 0.000 0.263 272 P C -0.290 177.038 177.300 0.047 0.000 1.175 272 P CA 0.180 63.308 63.100 0.046 0.000 0.761 272 P CB 0.497 32.217 31.700 0.033 0.000 0.794 273 L N 5.399 126.645 121.223 0.039 0.000 2.514 273 L HA 0.087 4.427 4.340 -0.001 0.000 0.280 273 L C -1.254 175.636 176.870 0.034 0.000 1.223 273 L CA -1.263 53.600 54.840 0.039 0.000 0.864 273 L CB -0.553 41.518 42.059 0.020 0.000 1.118 273 L HN 0.350 nan 8.230 nan 0.000 0.494 274 P HA 0.010 nan 4.420 nan 0.000 0.276 274 P C 0.369 177.684 177.300 0.026 0.000 1.230 274 P CA -0.343 62.778 63.100 0.035 0.000 0.776 274 P CB 1.356 33.081 31.700 0.042 0.000 0.888 275 T N 1.455 116.021 114.554 0.021 0.000 2.788 275 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 275 T C 0.932 175.641 174.700 0.016 0.000 1.044 275 T CA 0.911 63.020 62.100 0.015 0.000 1.139 275 T CB -0.430 68.446 68.868 0.013 0.000 0.867 275 T HN 0.438 nan 8.240 nan 0.000 0.454 276 K N 2.931 123.343 120.400 0.020 0.000 2.294 276 K HA 0.161 4.480 4.320 -0.001 0.000 0.288 276 K C -0.792 175.823 176.600 0.024 0.000 1.072 276 K CA 0.099 56.399 56.287 0.021 0.000 0.960 276 K CB 0.114 32.628 32.500 0.023 0.000 1.043 276 K HN 0.345 nan 8.250 nan 0.000 0.455 277 K N 2.469 122.881 120.400 0.020 0.000 2.253 277 K HA 0.174 4.493 4.320 -0.001 0.000 0.277 277 K C -0.526 176.089 176.600 0.024 0.000 1.053 277 K CA -0.356 55.943 56.287 0.020 0.000 0.892 277 K CB 1.130 33.635 32.500 0.008 0.000 1.102 277 K HN 0.454 nan 8.250 nan 0.000 0.469 278 T N 1.593 116.168 114.554 0.035 0.000 2.806 278 T HA 0.449 4.798 4.350 -0.001 0.000 0.290 278 T C 0.244 174.971 174.700 0.044 0.000 0.966 278 T CA -0.453 61.674 62.100 0.045 0.000 1.060 278 T CB 1.335 70.237 68.868 0.057 0.000 0.927 278 T HN 0.837 nan 8.240 nan 0.000 0.485 279 G N 2.005 110.834 108.800 0.049 0.000 3.000 279 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.686 279 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.686 279 G C -0.686 174.189 174.900 -0.043 0.000 1.114 279 G CA -0.736 44.379 45.100 0.025 0.000 0.902 279 G HN 0.801 nan 8.290 nan 0.000 0.564 280 K N 1.308 121.669 120.400 -0.065 0.000 2.339 280 K HA 0.700 5.019 4.320 -0.001 0.000 0.264 280 K C -0.468 176.049 176.600 -0.138 0.000 0.986 280 K CA -0.649 55.592 56.287 -0.077 0.000 0.866 280 K CB 1.732 34.216 32.500 -0.026 0.000 1.103 280 K HN 1.384 nan 8.250 nan 0.000 0.441 281 V N 6.231 126.047 119.914 -0.163 0.000 2.604 281 V HA 0.617 4.736 4.120 -0.001 0.000 0.305 281 V C -1.060 174.945 176.094 -0.148 0.000 1.043 281 V CA -0.873 61.310 62.300 -0.195 0.000 0.888 281 V CB 1.331 32.986 31.823 -0.280 0.000 0.995 281 V HN 0.823 nan 8.190 nan 0.000 0.429 282 I N 6.981 127.474 120.570 -0.130 0.000 2.377 282 I HA 0.477 4.646 4.170 -0.001 0.000 0.293 282 I C -0.366 175.665 176.117 -0.144 0.000 0.987 282 I CA -0.486 60.727 61.300 -0.145 0.000 1.185 282 I CB 1.799 39.717 38.000 -0.137 0.000 1.341 282 I HN 0.481 nan 8.210 nan 0.000 0.455 283 I N 6.665 127.139 120.570 -0.159 0.000 2.359 283 I HA 0.362 4.531 4.170 -0.001 0.000 0.294 283 I C -0.124 175.910 176.117 -0.137 0.000 0.987 283 I CA -0.639 60.580 61.300 -0.136 0.000 1.225 283 I CB 1.301 39.224 38.000 -0.129 0.000 1.366 283 I HN 0.294 nan 8.210 nan 0.000 0.466 284 I N 5.273 125.781 120.570 -0.102 0.000 2.315 284 I HA 0.488 4.658 4.170 -0.001 0.000 0.291 284 I C 0.688 176.768 176.117 -0.062 0.000 1.006 284 I CA -0.180 61.067 61.300 -0.089 0.000 1.265 284 I CB 0.704 38.673 38.000 -0.052 0.000 1.387 284 I HN 0.855 nan 8.210 nan 0.000 0.475 285 G N 4.131 112.880 108.800 -0.085 0.000 2.777 285 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.686 285 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.686 285 G C -0.151 174.708 174.900 -0.068 0.000 1.177 285 G CA -0.170 44.894 45.100 -0.061 0.000 0.775 285 G HN 0.717 nan 8.290 nan 0.000 0.613 286 S N 1.265 116.927 115.700 -0.065 0.000 2.581 286 S HA 0.586 5.055 4.470 -0.001 0.000 0.245 286 S C 1.274 175.853 174.600 -0.035 0.000 1.115 286 S CA 0.903 59.066 58.200 -0.062 0.000 1.093 286 S CB -0.681 62.470 63.200 -0.081 0.000 0.853 286 S HN 1.867 nan 8.310 nan 0.000 0.479 287 G N 0.528 109.319 108.800 -0.015 0.000 2.588 287 G HA2 0.356 4.315 3.960 -0.001 0.000 0.278 287 G HA3 0.356 4.315 3.960 -0.001 0.000 0.278 287 G C 1.083 175.971 174.900 -0.021 0.000 1.307 287 G CA -0.273 44.823 45.100 -0.007 0.000 1.016 287 G HN 0.262 nan 8.290 nan 0.000 0.503 288 V N 0.681 120.576 119.914 -0.032 0.000 2.332 288 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 288 V C 3.303 179.387 176.094 -0.017 0.000 1.055 288 V CA 2.772 65.054 62.300 -0.030 0.000 1.038 288 V CB -0.678 31.114 31.823 -0.051 0.000 0.651 288 V HN 0.887 nan 8.190 nan 0.000 0.450 289 S N 0.867 116.562 115.700 -0.009 0.000 2.353 289 S HA -0.145 4.324 4.470 -0.001 0.000 0.222 289 S C 2.145 176.734 174.600 -0.019 0.000 1.035 289 S CA 1.690 59.887 58.200 -0.004 0.000 1.025 289 S CB -1.188 62.026 63.200 0.024 0.000 0.902 289 S HN 0.535 nan 8.310 nan 0.000 0.440 290 G N 2.161 110.950 108.800 -0.019 0.000 2.480 290 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.216 290 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.216 290 G C 1.539 176.404 174.900 -0.058 0.000 1.200 290 G CA 1.122 46.197 45.100 -0.041 0.000 0.782 290 G HN 0.509 nan 8.290 nan 0.000 0.554 291 L N 0.874 122.067 121.223 -0.050 0.000 2.012 291 L HA -0.138 4.201 4.340 -0.001 0.000 0.210 291 L C 3.473 180.311 176.870 -0.053 0.000 1.073 291 L CA 1.184 55.992 54.840 -0.054 0.000 0.748 291 L CB -0.610 41.426 42.059 -0.038 0.000 0.891 291 L HN 0.323 nan 8.230 nan 0.000 0.431 292 A N 0.243 123.043 122.820 -0.034 0.000 1.869 292 A HA -0.315 4.004 4.320 -0.001 0.000 0.218 292 A C 2.537 180.079 177.584 -0.070 0.000 1.203 292 A CA 2.497 54.519 52.037 -0.024 0.000 0.638 292 A CB -1.071 17.919 19.000 -0.015 0.000 0.831 292 A HN 0.439 nan 8.150 nan 0.000 0.450 293 A N -0.531 122.236 122.820 -0.088 0.000 1.902 293 A HA 0.132 4.451 4.320 -0.001 0.000 0.217 293 A C 2.561 180.048 177.584 -0.163 0.000 1.181 293 A CA 2.473 54.432 52.037 -0.129 0.000 0.623 293 A CB -1.205 17.727 19.000 -0.114 0.000 0.818 293 A HN 1.267 nan 8.150 nan 0.000 0.443 294 A N -0.091 122.648 122.820 -0.135 0.000 1.873 294 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 294 A C 2.241 179.727 177.584 -0.163 0.000 1.193 294 A CA 1.840 53.792 52.037 -0.142 0.000 0.629 294 A CB -0.571 18.358 19.000 -0.118 0.000 0.826 294 A HN 0.558 nan 8.150 nan 0.000 0.447 295 R N -1.084 119.329 120.500 -0.145 0.000 2.152 295 R HA -0.115 4.224 4.340 -0.001 0.000 0.232 295 R C 2.410 178.560 176.300 -0.251 0.000 1.117 295 R CA 1.271 57.275 56.100 -0.159 0.000 0.981 295 R CB -0.179 30.058 30.300 -0.106 0.000 0.870 295 R HN 0.579 nan 8.270 nan 0.000 0.451 296 Q N 0.241 119.842 119.800 -0.331 0.000 1.994 296 Q HA -0.069 4.270 4.340 -0.001 0.000 0.198 296 Q C 2.144 177.587 176.000 -0.929 0.000 0.976 296 Q CA 0.987 56.375 55.803 -0.692 0.000 0.828 296 Q CB -0.300 28.095 28.738 -0.571 0.000 0.894 296 Q HN 0.184 nan 8.270 nan 0.000 0.432 297 L N 1.481 122.409 121.223 -0.492 0.000 2.129 297 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 297 L C 2.357 179.123 176.870 -0.173 0.000 1.087 297 L CA 1.704 56.388 54.840 -0.260 0.000 0.757 297 L CB -1.060 40.896 42.059 -0.173 0.000 0.896 297 L HN 0.376 nan 8.230 nan 0.000 0.434 298 Q N -0.955 118.726 119.800 -0.199 0.000 2.137 298 Q HA -0.130 4.209 4.340 -0.001 0.000 0.198 298 Q C 2.219 178.168 176.000 -0.084 0.000 0.960 298 Q CA 1.430 57.163 55.803 -0.116 0.000 0.847 298 Q CB 0.156 28.824 28.738 -0.117 0.000 0.915 298 Q HN 0.622 nan 8.270 nan 0.000 0.448 299 S N -0.570 115.032 115.700 -0.164 0.000 2.481 299 S HA -0.036 4.433 4.470 -0.001 0.000 0.231 299 S C 1.047 175.758 174.600 0.185 0.000 0.996 299 S CA 0.308 58.485 58.200 -0.038 0.000 0.942 299 S CB -0.170 62.991 63.200 -0.065 0.000 0.768 299 S HN 0.320 nan 8.310 nan 0.000 0.520 300 F N 2.260 122.208 119.950 -0.004 0.000 2.692 300 F HA 0.455 4.981 4.527 -0.002 0.000 0.303 300 F C 1.826 177.623 175.800 -0.005 0.000 1.114 300 F CA -1.303 56.693 58.000 -0.008 0.000 1.361 300 F CB -0.889 38.093 39.000 -0.029 0.000 1.063 300 F HN 0.360 nan 8.300 nan 0.000 0.550 301 G N 1.222 110.117 108.800 0.159 0.000 2.272 301 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.280 301 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.280 301 G C 0.141 175.078 174.900 0.061 0.000 1.067 301 G CA 0.046 45.198 45.100 0.086 0.000 0.902 301 G HN 0.286 nan 8.290 nan 0.000 0.500 302 M N -0.302 119.322 119.600 0.039 0.000 2.654 302 M HA 0.350 4.830 4.480 -0.001 0.000 0.310 302 M C -0.334 175.951 176.300 -0.026 0.000 1.211 302 M CA -0.807 54.498 55.300 0.008 0.000 0.947 302 M CB 1.358 33.953 32.600 -0.008 0.000 1.647 302 M HN 0.099 nan 8.290 nan 0.000 0.481 303 D N 2.250 122.629 120.400 -0.034 0.000 2.380 303 D HA 0.337 4.976 4.640 -0.001 0.000 0.230 303 D C -1.665 174.593 176.300 -0.070 0.000 1.154 303 D CA 0.103 54.078 54.000 -0.041 0.000 0.859 303 D CB 0.939 41.725 40.800 -0.025 0.000 1.045 303 D HN 0.351 nan 8.370 nan 0.000 0.495 304 V N 3.328 123.193 119.914 -0.081 0.000 2.656 304 V HA 0.619 4.738 4.120 -0.001 0.000 0.307 304 V C -0.938 175.089 176.094 -0.112 0.000 1.051 304 V CA -0.211 62.024 62.300 -0.107 0.000 0.893 304 V CB 2.236 33.983 31.823 -0.125 0.000 0.999 304 V HN 0.511 nan 8.190 nan 0.000 0.426 305 T N 7.705 122.176 114.554 -0.137 0.000 2.881 305 T HA 0.665 5.014 4.350 -0.001 0.000 0.290 305 T C -1.105 173.466 174.700 -0.214 0.000 1.000 305 T CA -0.323 61.675 62.100 -0.170 0.000 0.978 305 T CB 1.343 70.097 68.868 -0.190 0.000 0.997 305 T HN 0.540 nan 8.240 nan 0.000 0.443 306 L N 3.247 124.346 121.223 -0.206 0.000 2.282 306 L HA 0.528 4.867 4.340 -0.001 0.000 0.288 306 L C -0.312 176.405 176.870 -0.255 0.000 1.033 306 L CA -0.373 54.343 54.840 -0.205 0.000 0.807 306 L CB 0.736 42.702 42.059 -0.155 0.000 1.209 306 L HN 0.480 nan 8.230 nan 0.000 0.423 307 L N 3.199 124.253 121.223 -0.282 0.000 2.255 307 L HA 0.487 4.826 4.340 -0.001 0.000 0.289 307 L C -0.074 176.653 176.870 -0.238 0.000 1.046 307 L CA -0.422 54.231 54.840 -0.312 0.000 0.816 307 L CB 1.208 43.051 42.059 -0.360 0.000 1.197 307 L HN 0.557 nan 8.230 nan 0.000 0.427 308 E N 2.399 122.457 120.200 -0.237 0.000 2.155 308 E HA 0.447 4.796 4.350 -0.001 0.000 0.264 308 E C 0.452 176.855 176.600 -0.328 0.000 0.886 308 E CA -0.306 55.950 56.400 -0.239 0.000 0.752 308 E CB 1.970 31.559 29.700 -0.185 0.000 1.133 308 E HN 0.559 nan 8.360 nan 0.000 0.414 309 A N 5.456 127.984 122.820 -0.486 0.000 1.908 309 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 309 A C 1.034 178.145 177.584 -0.788 0.000 1.181 309 A CA 1.186 52.702 52.037 -0.869 0.000 0.627 309 A CB -0.315 17.662 19.000 -1.705 0.000 0.818 309 A HN 0.637 nan 8.150 nan 0.000 0.445 310 R N 0.015 120.166 120.500 -0.582 0.000 2.649 310 R HA 0.257 4.596 4.340 -0.001 0.000 0.270 310 R C -0.018 176.185 176.300 -0.162 0.000 1.105 310 R CA 0.237 56.157 56.100 -0.300 0.000 1.193 310 R CB 0.136 30.359 30.300 -0.130 0.000 1.120 310 R HN 0.481 nan 8.270 nan 0.000 0.561 311 D N 0.418 120.775 120.400 -0.072 0.000 2.460 311 D HA 0.037 4.676 4.640 -0.001 0.000 0.229 311 D C -0.348 175.929 176.300 -0.038 0.000 1.170 311 D CA -0.341 53.630 54.000 -0.049 0.000 0.827 311 D CB -0.091 40.699 40.800 -0.017 0.000 0.973 311 D HN 0.504 nan 8.370 nan 0.000 0.496 312 R N -1.696 118.778 120.500 -0.043 0.000 2.690 312 R HA 0.536 4.875 4.340 -0.001 0.000 0.269 312 R C -0.898 175.384 176.300 -0.030 0.000 1.037 312 R CA -1.069 55.015 56.100 -0.026 0.000 0.877 312 R CB 0.809 31.110 30.300 0.000 0.000 1.255 312 R HN -0.114 nan 8.270 nan 0.000 0.467 313 V N -1.127 118.773 119.914 -0.024 0.000 3.369 313 V HA 0.901 5.020 4.120 -0.001 0.000 0.309 313 V C 0.977 177.074 176.094 0.004 0.000 1.069 313 V CA 0.446 62.732 62.300 -0.024 0.000 1.042 313 V CB 0.752 32.555 31.823 -0.032 0.000 1.192 313 V HN 1.287 nan 8.190 nan 0.000 0.447 314 G N -1.052 107.750 108.800 0.003 0.000 2.376 314 G HA2 0.125 4.084 3.960 -0.001 0.000 0.208 314 G HA3 0.125 4.084 3.960 -0.001 0.000 0.208 314 G C 1.699 176.618 174.900 0.032 0.000 1.032 314 G CA 0.796 45.903 45.100 0.013 0.000 0.641 314 G HN 2.641 nan 8.290 nan 0.000 0.503 315 G N 0.580 109.424 108.800 0.073 0.000 2.634 315 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.318 315 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.318 315 G C 0.901 175.917 174.900 0.193 0.000 1.207 315 G CA 1.507 46.683 45.100 0.127 0.000 0.987 315 G HN 1.197 nan 8.290 nan 0.000 0.547 316 R N -0.118 120.421 120.500 0.066 0.000 2.346 316 R HA 0.282 4.621 4.340 -0.001 0.000 0.199 316 R C 0.163 176.415 176.300 -0.079 0.000 1.015 316 R CA 0.420 56.449 56.100 -0.118 0.000 1.058 316 R CB -0.089 30.053 30.300 -0.264 0.000 0.921 316 R HN 0.221 nan 8.270 nan 0.000 0.475 317 V N 1.070 120.986 119.914 0.003 0.000 2.313 317 V HA 0.511 4.630 4.120 -0.001 0.000 0.278 317 V C -0.340 175.818 176.094 0.106 0.000 1.017 317 V CA -0.732 61.550 62.300 -0.030 0.000 0.823 317 V CB 1.301 33.020 31.823 -0.174 0.000 1.010 317 V HN 0.097 nan 8.190 nan 0.000 0.443 318 A N 3.627 126.564 122.820 0.194 0.000 2.374 318 A HA 0.876 5.195 4.320 -0.001 0.000 0.305 318 A C -0.236 177.449 177.584 0.169 0.000 1.053 318 A CA -0.506 51.652 52.037 0.202 0.000 0.726 318 A CB 1.708 20.878 19.000 0.283 0.000 1.229 318 A HN 0.609 nan 8.150 nan 0.000 0.431 319 T N 2.068 116.698 114.554 0.127 0.000 2.841 319 T HA 0.440 4.789 4.350 -0.001 0.000 0.285 319 T C -0.892 173.870 174.700 0.104 0.000 0.991 319 T CA -0.138 62.031 62.100 0.114 0.000 0.966 319 T CB 0.645 69.566 68.868 0.087 0.000 0.962 319 T HN 0.519 nan 8.240 nan 0.000 0.438 320 F N 4.424 124.355 119.950 -0.031 0.000 2.445 320 F HA 0.534 5.060 4.527 -0.001 0.000 0.359 320 F C 0.323 176.099 175.800 -0.040 0.000 1.101 320 F CA -0.483 57.491 58.000 -0.042 0.000 1.177 320 F CB 0.283 39.242 39.000 -0.068 0.000 1.110 320 F HN 0.383 nan 8.300 nan 0.000 0.522 321 R N 5.825 125.949 120.500 -0.626 0.000 2.532 321 R HA 0.501 4.840 4.340 -0.001 0.000 0.297 321 R C -1.349 174.593 176.300 -0.597 0.000 0.984 321 R CA -1.087 54.738 56.100 -0.457 0.000 0.884 321 R CB 2.051 32.225 30.300 -0.211 0.000 1.182 321 R HN 0.616 nan 8.270 nan 0.000 0.442 322 K N 1.844 122.000 120.400 -0.406 0.000 2.575 322 K HA 0.329 4.648 4.320 -0.001 0.000 0.255 322 K C -0.093 176.510 176.600 0.006 0.000 0.953 322 K CA 0.209 56.359 56.287 -0.228 0.000 0.840 322 K CB 1.593 33.908 32.500 -0.308 0.000 1.303 322 K HN 0.698 nan 8.250 nan 0.000 0.438 323 G N 3.329 112.120 108.800 -0.014 0.000 2.574 323 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.286 323 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.286 323 G C 0.150 174.990 174.900 -0.101 0.000 1.212 323 G CA 0.379 45.459 45.100 -0.032 0.000 0.979 323 G HN 0.707 nan 8.290 nan 0.000 0.557 324 N N 0.378 118.937 118.700 -0.234 0.000 2.322 324 N HA 0.140 4.879 4.740 -0.001 0.000 0.194 324 N C -0.108 175.282 175.510 -0.200 0.000 1.126 324 N CA 0.289 53.213 53.050 -0.211 0.000 0.845 324 N CB 0.206 38.553 38.487 -0.232 0.000 0.976 324 N HN 0.417 nan 8.380 nan 0.000 0.475 325 Y N 0.771 121.087 120.300 0.027 0.000 2.402 325 Y HA 0.244 4.793 4.550 -0.002 0.000 0.333 325 Y C 0.616 176.506 175.900 -0.017 0.000 1.076 325 Y CA -0.382 57.755 58.100 0.062 0.000 1.299 325 Y CB 0.807 39.377 38.460 0.182 0.000 1.197 325 Y HN -0.299 nan 8.280 nan 0.000 0.517 326 V N 2.222 122.197 119.914 0.101 0.000 2.808 326 V HA 0.919 5.038 4.120 -0.001 0.000 0.308 326 V C -0.720 175.014 176.094 -0.600 0.000 1.099 326 V CA -1.057 61.160 62.300 -0.138 0.000 0.920 326 V CB 1.758 33.502 31.823 -0.133 0.000 1.014 326 V HN 0.840 nan 8.190 nan 0.000 0.425 327 A N 2.522 125.073 122.820 -0.448 0.000 2.565 327 A HA 0.637 4.956 4.320 -0.001 0.000 0.298 327 A C -1.668 175.867 177.584 -0.081 0.000 1.062 327 A CA -0.657 51.038 52.037 -0.570 0.000 0.723 327 A CB 1.410 20.268 19.000 -0.236 0.000 1.282 327 A HN 0.701 nan 8.150 nan 0.000 0.400 328 D N 2.719 123.166 120.400 0.080 0.000 2.313 328 D HA 0.272 4.911 4.640 -0.001 0.000 0.239 328 D C 0.625 177.008 176.300 0.138 0.000 1.142 328 D CA -0.331 53.761 54.000 0.154 0.000 0.847 328 D CB 1.583 42.513 40.800 0.217 0.000 1.082 328 D HN 0.344 nan 8.370 nan 0.000 0.480 329 L N 2.000 123.326 121.223 0.171 0.000 2.446 329 L HA 0.122 4.461 4.340 -0.001 0.000 0.219 329 L C 1.543 178.679 176.870 0.443 0.000 1.116 329 L CA 0.882 55.849 54.840 0.212 0.000 0.844 329 L CB -0.543 41.596 42.059 0.133 0.000 0.970 329 L HN 0.373 nan 8.230 nan 0.000 0.457 330 G N -1.076 107.952 108.800 0.381 0.000 3.271 330 G HA2 0.495 4.454 3.960 -0.001 0.000 0.174 330 G HA3 0.495 4.454 3.960 -0.001 0.000 0.174 330 G C -0.159 174.788 174.900 0.079 0.000 1.385 330 G CA 0.290 45.550 45.100 0.267 0.000 0.979 330 G HN 0.252 nan 8.290 nan 0.000 0.610 331 A N -0.324 122.483 122.820 -0.022 0.000 2.466 331 A HA 0.499 4.818 4.320 -0.001 0.000 0.238 331 A C 0.858 178.550 177.584 0.179 0.000 1.074 331 A CA 1.124 53.165 52.037 0.006 0.000 0.774 331 A CB 0.054 18.981 19.000 -0.120 0.000 1.015 331 A HN 1.037 nan 8.150 nan 0.000 0.498 332 M N -0.219 119.503 119.600 0.204 0.000 1.968 332 M HA 0.303 4.782 4.480 -0.001 0.000 0.349 332 M C -0.853 175.514 176.300 0.112 0.000 0.870 332 M CA 0.093 55.503 55.300 0.182 0.000 1.157 332 M CB 0.119 32.700 32.600 -0.033 0.000 2.210 332 M HN 0.213 nan 8.290 nan 0.000 0.760 333 V N 2.567 122.551 119.914 0.116 0.000 2.532 333 V HA 0.537 4.656 4.120 -0.001 0.000 0.295 333 V C -0.261 175.877 176.094 0.074 0.000 1.041 333 V CA -0.709 61.639 62.300 0.080 0.000 0.926 333 V CB 2.077 33.968 31.823 0.114 0.000 0.992 333 V HN 0.153 nan 8.190 nan 0.000 0.457 334 V N 3.245 123.161 119.914 0.004 0.000 2.357 334 V HA 0.347 4.466 4.120 -0.001 0.000 0.284 334 V C 0.387 176.488 176.094 0.012 0.000 1.018 334 V CA -0.519 61.788 62.300 0.013 0.000 0.841 334 V CB 1.838 33.613 31.823 -0.081 0.000 0.991 334 V HN 1.017 nan 8.190 nan 0.000 0.437 335 T N 1.293 115.853 114.554 0.010 0.000 2.875 335 T HA 0.535 4.884 4.350 -0.001 0.000 0.307 335 T C 0.638 175.471 174.700 0.221 0.000 1.013 335 T CA 0.194 62.230 62.100 -0.107 0.000 0.970 335 T CB 0.217 68.946 68.868 -0.231 0.000 0.986 335 T HN 1.721 nan 8.240 nan 0.000 0.536 336 G N 3.607 112.581 108.800 0.289 0.000 2.666 336 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.185 336 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.185 336 G C 0.564 175.563 174.900 0.164 0.000 0.483 336 G CA -0.126 45.141 45.100 0.277 0.000 0.902 336 G HN 0.826 nan 8.290 nan 0.000 0.380 337 L N 2.130 123.392 121.223 0.065 0.000 2.129 337 L HA -0.041 4.298 4.340 -0.001 0.000 0.212 337 L C 2.509 179.311 176.870 -0.114 0.000 1.087 337 L CA 1.123 55.933 54.840 -0.050 0.000 0.757 337 L CB -0.523 41.524 42.059 -0.020 0.000 0.896 337 L HN 0.779 nan 8.230 nan 0.000 0.434 338 G N -0.034 108.782 108.800 0.027 0.000 2.239 338 G HA2 0.272 4.232 3.960 -0.001 0.000 0.278 338 G HA3 0.272 4.232 3.960 -0.001 0.000 0.278 338 G C 1.132 175.903 174.900 -0.215 0.000 1.071 338 G CA 0.358 45.508 45.100 0.083 0.000 1.198 338 G HN 0.533 nan 8.290 nan 0.000 0.410 339 G N 2.022 110.560 108.800 -0.436 0.000 2.159 339 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.256 339 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.256 339 G C 0.505 174.794 174.900 -1.018 0.000 0.977 339 G CA 0.226 44.936 45.100 -0.651 0.000 0.652 339 G HN 0.954 nan 8.290 nan 0.000 0.531 340 N N 1.143 119.154 118.700 -1.148 0.000 2.414 340 N HA 0.383 5.122 4.740 -0.001 0.000 0.256 340 N C -0.258 174.905 175.510 -0.580 0.000 1.029 340 N CA -1.930 50.278 53.050 -1.403 0.000 0.948 340 N CB 1.712 39.610 38.487 -0.982 0.000 1.102 340 N HN 0.099 nan 8.380 nan 0.000 0.496 341 P HA -0.161 nan 4.420 nan 0.000 0.219 341 P C 1.271 178.593 177.300 0.037 0.000 1.146 341 P CA 1.048 64.098 63.100 -0.083 0.000 0.808 341 P CB 0.259 31.896 31.700 -0.106 0.000 0.779 342 M N -0.412 119.179 119.600 -0.015 0.000 2.358 342 M HA -0.057 4.422 4.480 -0.001 0.000 0.264 342 M C 2.246 178.546 176.300 -0.000 0.000 1.064 342 M CA 1.111 56.445 55.300 0.057 0.000 1.093 342 M CB -1.949 30.713 32.600 0.103 0.000 1.401 342 M HN -0.058 nan 8.290 nan 0.000 0.440 343 A N 0.273 123.051 122.820 -0.070 0.000 1.883 343 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 343 A C 2.456 179.993 177.584 -0.078 0.000 1.186 343 A CA 2.016 54.004 52.037 -0.082 0.000 0.624 343 A CB -0.957 17.971 19.000 -0.120 0.000 0.822 343 A HN 0.296 nan 8.150 nan 0.000 0.444 344 V N -0.345 119.524 119.914 -0.075 0.000 2.223 344 V HA -0.259 3.861 4.120 -0.001 0.000 0.244 344 V C 2.545 178.570 176.094 -0.113 0.000 1.045 344 V CA 2.069 64.277 62.300 -0.152 0.000 1.000 344 V CB -1.173 30.553 31.823 -0.161 0.000 0.635 344 V HN 0.356 nan 8.190 nan 0.000 0.445 345 V N 0.109 120.021 119.914 -0.004 0.000 2.324 345 V HA -0.317 3.802 4.120 -0.001 0.000 0.250 345 V C 2.740 178.839 176.094 0.008 0.000 1.060 345 V CA 2.459 64.780 62.300 0.035 0.000 1.042 345 V CB -0.944 30.956 31.823 0.128 0.000 0.650 345 V HN 0.645 nan 8.190 nan 0.000 0.450 346 S N -0.457 115.239 115.700 -0.005 0.000 2.365 346 S HA -0.291 4.178 4.470 -0.001 0.000 0.225 346 S C 2.071 176.648 174.600 -0.038 0.000 1.039 346 S CA 2.075 60.262 58.200 -0.021 0.000 1.033 346 S CB -0.259 62.917 63.200 -0.040 0.000 0.887 346 S HN 0.661 nan 8.310 nan 0.000 0.447 347 K N 0.325 120.684 120.400 -0.068 0.000 2.147 347 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 347 K C 2.529 179.080 176.600 -0.082 0.000 1.049 347 K CA 1.453 57.689 56.287 -0.085 0.000 0.936 347 K CB -0.184 32.237 32.500 -0.132 0.000 0.722 347 K HN 0.567 nan 8.250 nan 0.000 0.446 348 Q N 0.211 119.962 119.800 -0.083 0.000 2.172 348 Q HA -0.090 4.249 4.340 -0.001 0.000 0.200 348 Q C 2.005 177.989 176.000 -0.027 0.000 0.964 348 Q CA 1.490 57.255 55.803 -0.063 0.000 0.855 348 Q CB 0.153 28.858 28.738 -0.054 0.000 0.918 348 Q HN 0.297 nan 8.270 nan 0.000 0.444 349 V N -3.286 116.621 119.914 -0.011 0.000 3.578 349 V HA 0.201 4.320 4.120 -0.001 0.000 0.290 349 V C -0.092 176.002 176.094 0.000 0.000 1.376 349 V CA -0.033 62.268 62.300 0.003 0.000 1.083 349 V CB -0.473 31.366 31.823 0.026 0.000 0.911 349 V HN 0.389 nan 8.190 nan 0.000 0.433 350 N N 1.781 120.475 118.700 -0.010 0.000 2.746 350 N HA -0.172 4.567 4.740 -0.001 0.000 0.250 350 N C 0.034 175.545 175.510 0.001 0.000 1.055 350 N CA 0.753 53.797 53.050 -0.009 0.000 0.699 350 N CB -0.799 37.683 38.487 -0.007 0.000 0.919 350 N HN 0.883 nan 8.380 nan 0.000 0.548 351 M N -0.268 119.331 119.600 -0.001 0.000 2.084 351 M HA 0.263 4.742 4.480 -0.001 0.000 0.351 351 M C 0.164 176.460 176.300 -0.008 0.000 1.240 351 M CA -0.219 55.082 55.300 0.002 0.000 1.083 351 M CB 1.095 33.694 32.600 -0.002 0.000 1.593 351 M HN 0.076 nan 8.290 nan 0.000 0.463 352 E N 5.643 125.848 120.200 0.008 0.000 1.985 352 E HA 0.229 4.578 4.350 -0.001 0.000 0.268 352 E C -1.444 175.160 176.600 0.007 0.000 1.219 352 E CA -0.176 56.232 56.400 0.014 0.000 0.942 352 E CB 0.312 30.033 29.700 0.035 0.000 1.045 352 E HN 0.798 nan 8.360 nan 0.000 0.413 353 L N 3.155 124.374 121.223 -0.008 0.000 2.325 353 L HA 0.633 4.972 4.340 -0.001 0.000 0.279 353 L C -0.136 176.743 176.870 0.014 0.000 1.054 353 L CA -0.809 54.023 54.840 -0.014 0.000 0.804 353 L CB 1.700 43.739 42.059 -0.033 0.000 1.200 353 L HN 0.491 nan 8.230 nan 0.000 0.436 354 A N 3.121 125.958 122.820 0.027 0.000 2.353 354 A HA 0.488 4.807 4.320 -0.001 0.000 0.299 354 A C -0.533 177.090 177.584 0.064 0.000 1.089 354 A CA -0.788 51.275 52.037 0.044 0.000 0.736 354 A CB 0.860 19.887 19.000 0.045 0.000 1.195 354 A HN 0.712 nan 8.150 nan 0.000 0.447 355 K N 1.004 121.446 120.400 0.070 0.000 2.457 355 K HA 0.126 4.445 4.320 -0.001 0.000 0.269 355 K C -0.557 176.107 176.600 0.107 0.000 0.969 355 K CA 0.724 57.067 56.287 0.094 0.000 0.921 355 K CB 0.377 32.926 32.500 0.081 0.000 0.940 355 K HN 0.615 nan 8.250 nan 0.000 0.517 356 I N 2.535 123.185 120.570 0.133 0.000 2.330 356 I HA 0.109 4.278 4.170 -0.001 0.000 0.289 356 I C -0.125 176.050 176.117 0.097 0.000 1.001 356 I CA -0.669 60.712 61.300 0.136 0.000 1.193 356 I CB 1.260 39.379 38.000 0.199 0.000 1.345 356 I HN 0.334 nan 8.210 nan 0.000 0.461 357 K N 6.118 126.565 120.400 0.078 0.000 2.412 357 K HA 0.050 4.369 4.320 -0.001 0.000 0.284 357 K C 0.857 177.487 176.600 0.051 0.000 1.046 357 K CA -0.079 56.245 56.287 0.061 0.000 0.999 357 K CB 0.622 33.159 32.500 0.061 0.000 0.941 357 K HN 0.559 nan 8.250 nan 0.000 0.474 358 Q N 1.973 121.801 119.800 0.046 0.000 2.197 358 Q HA -0.202 4.137 4.340 -0.001 0.000 0.207 358 Q C 0.362 176.380 176.000 0.031 0.000 0.984 358 Q CA 1.219 57.046 55.803 0.040 0.000 0.869 358 Q CB -0.032 28.729 28.738 0.038 0.000 0.906 358 Q HN 0.403 nan 8.270 nan 0.000 0.426 359 K N 1.234 121.652 120.400 0.030 0.000 2.367 359 K HA -0.052 4.268 4.320 -0.001 0.000 0.275 359 K C -1.285 175.328 176.600 0.022 0.000 1.125 359 K CA 0.023 56.322 56.287 0.021 0.000 1.133 359 K CB 0.078 32.594 32.500 0.027 0.000 0.875 359 K HN 0.132 nan 8.250 nan 0.000 0.467 360 C N 9.016 128.314 119.300 -0.004 0.000 2.521 360 C HA 0.465 4.924 4.460 -0.001 0.000 0.291 360 C C -2.477 172.469 174.990 -0.073 0.000 1.074 360 C CA -2.284 56.727 59.018 -0.012 0.000 1.495 360 C CB 0.131 27.855 27.740 -0.026 0.000 1.862 360 C HN 0.722 nan 8.230 nan 0.000 0.418 361 P HA 0.262 nan 4.420 nan 0.000 0.276 361 P C -0.828 176.329 177.300 -0.237 0.000 1.235 361 P CA -0.037 62.962 63.100 -0.170 0.000 0.772 361 P CB 0.992 32.605 31.700 -0.145 0.000 0.871 362 L N 4.739 125.683 121.223 -0.464 0.000 2.325 362 L HA 0.398 4.737 4.340 -0.001 0.000 0.279 362 L C -0.144 176.408 176.870 -0.530 0.000 1.054 362 L CA -0.444 54.118 54.840 -0.462 0.000 0.804 362 L CB 0.264 41.938 42.059 -0.641 0.000 1.200 362 L HN 0.308 nan 8.230 nan 0.000 0.436 363 Y N 0.598 120.829 120.300 -0.115 0.000 2.391 363 Y HA 0.429 4.978 4.550 -0.001 0.000 0.341 363 Y C 0.399 176.300 175.900 0.002 0.000 0.965 363 Y CA -0.990 57.078 58.100 -0.054 0.000 1.067 363 Y CB 1.272 39.714 38.460 -0.030 0.000 1.199 363 Y HN 0.576 nan 8.280 nan 0.000 0.450 364 E N 0.984 121.245 120.200 0.101 0.000 2.435 364 E HA 0.235 4.584 4.350 -0.001 0.000 0.254 364 E C 0.805 177.503 176.600 0.163 0.000 1.289 364 E CA 0.315 56.761 56.400 0.077 0.000 0.983 364 E CB 0.638 30.356 29.700 0.030 0.000 1.010 364 E HN 0.838 nan 8.360 nan 0.000 0.509 365 A N 1.761 124.657 122.820 0.127 0.000 1.940 365 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 365 A C 1.706 179.397 177.584 0.179 0.000 1.176 365 A CA 2.188 54.350 52.037 0.208 0.000 0.631 365 A CB -0.799 18.284 19.000 0.138 0.000 0.814 365 A HN 0.690 nan 8.150 nan 0.000 0.446 366 N N -1.540 117.228 118.700 0.112 0.000 2.457 366 N HA 0.213 4.952 4.740 -0.001 0.000 0.180 366 N C 1.148 176.700 175.510 0.070 0.000 1.050 366 N CA 1.784 54.880 53.050 0.077 0.000 0.906 366 N CB -0.350 38.166 38.487 0.048 0.000 0.968 366 N HN 0.846 nan 8.380 nan 0.000 0.445 367 G N -0.484 108.377 108.800 0.101 0.000 2.316 367 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.203 367 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.203 367 G C -0.232 174.737 174.900 0.114 0.000 0.999 367 G CA 0.080 45.229 45.100 0.082 0.000 0.649 367 G HN 0.731 nan 8.290 nan 0.000 0.489 368 Q N 1.071 120.914 119.800 0.072 0.000 2.340 368 Q HA 0.760 5.099 4.340 -0.001 0.000 0.249 368 Q C 0.648 176.641 176.000 -0.012 0.000 0.957 368 Q CA -0.022 55.802 55.803 0.035 0.000 0.882 368 Q CB 1.406 30.139 28.738 -0.008 0.000 1.235 368 Q HN 1.060 nan 8.270 nan 0.000 0.439 369 A N 2.298 125.038 122.820 -0.132 0.000 2.364 369 A HA 0.355 4.674 4.320 -0.001 0.000 0.258 369 A C -0.270 177.150 177.584 -0.274 0.000 1.131 369 A CA -0.523 51.273 52.037 -0.403 0.000 0.800 369 A CB 0.414 19.139 19.000 -0.458 0.000 1.086 369 A HN 0.594 nan 8.150 nan 0.000 0.508 370 V N 1.896 121.615 119.914 -0.326 0.000 2.350 370 V HA 0.296 4.415 4.120 -0.001 0.000 0.285 370 V C -2.271 173.709 176.094 -0.190 0.000 1.014 370 V CA -1.249 60.918 62.300 -0.221 0.000 0.831 370 V CB 0.887 32.570 31.823 -0.233 0.000 1.000 370 V HN 0.779 nan 8.190 nan 0.000 0.433 371 P HA -0.061 nan 4.420 nan 0.000 0.261 371 P C 1.066 178.304 177.300 -0.103 0.000 1.165 371 P CA 0.309 63.344 63.100 -0.109 0.000 0.759 371 P CB 0.551 32.202 31.700 -0.082 0.000 0.772 372 K N 3.783 124.126 120.400 -0.094 0.000 2.097 372 K HA -0.317 4.002 4.320 -0.001 0.000 0.214 372 K C 1.338 177.900 176.600 -0.064 0.000 1.052 372 K CA 2.052 58.292 56.287 -0.078 0.000 0.932 372 K CB -0.092 32.371 32.500 -0.061 0.000 0.716 372 K HN 0.478 nan 8.250 nan 0.000 0.455 373 E N 0.376 120.542 120.200 -0.057 0.000 2.026 373 E HA -0.243 4.106 4.350 -0.001 0.000 0.206 373 E C 2.236 178.806 176.600 -0.051 0.000 1.028 373 E CA 1.739 58.110 56.400 -0.048 0.000 0.845 373 E CB -0.129 29.545 29.700 -0.044 0.000 0.772 373 E HN 0.331 nan 8.360 nan 0.000 0.462 374 K N 0.527 120.892 120.400 -0.059 0.000 2.044 374 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 374 K C 2.075 178.641 176.600 -0.056 0.000 1.049 374 K CA 1.452 57.703 56.287 -0.060 0.000 0.927 374 K CB -0.267 32.193 32.500 -0.066 0.000 0.713 374 K HN 0.126 nan 8.250 nan 0.000 0.443 375 D N 1.143 121.503 120.400 -0.067 0.000 2.154 375 D HA -0.218 4.421 4.640 -0.001 0.000 0.190 375 D C 1.585 177.874 176.300 -0.018 0.000 1.003 375 D CA 1.622 55.592 54.000 -0.050 0.000 0.849 375 D CB 0.083 40.828 40.800 -0.092 0.000 0.942 375 D HN 0.316 nan 8.370 nan 0.000 0.446 376 E N -0.358 119.823 120.200 -0.031 0.000 2.106 376 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 376 E C 2.186 178.765 176.600 -0.035 0.000 0.984 376 E CA 0.371 56.757 56.400 -0.024 0.000 0.806 376 E CB -0.149 29.538 29.700 -0.022 0.000 0.750 376 E HN 0.344 nan 8.360 nan 0.000 0.458 377 M N 1.328 120.903 119.600 -0.041 0.000 2.066 377 M HA -0.148 4.331 4.480 -0.001 0.000 0.259 377 M C 2.380 178.643 176.300 -0.062 0.000 1.074 377 M CA 1.476 56.748 55.300 -0.046 0.000 1.114 377 M CB -0.341 32.229 32.600 -0.050 0.000 1.306 377 M HN 0.007 nan 8.290 nan 0.000 0.411 378 V N 0.851 120.722 119.914 -0.070 0.000 2.380 378 V HA -0.294 3.825 4.120 -0.001 0.000 0.251 378 V C 2.382 178.380 176.094 -0.160 0.000 1.063 378 V CA 2.340 64.586 62.300 -0.089 0.000 1.055 378 V CB -1.006 30.793 31.823 -0.041 0.000 0.657 378 V HN 0.588 nan 8.190 nan 0.000 0.455 379 E N -0.386 119.683 120.200 -0.219 0.000 2.072 379 E HA -0.283 4.066 4.350 -0.001 0.000 0.191 379 E C 2.329 178.861 176.600 -0.114 0.000 0.985 379 E CA 1.375 57.538 56.400 -0.396 0.000 0.801 379 E CB -0.101 29.469 29.700 -0.217 0.000 0.750 379 E HN 0.683 nan 8.360 nan 0.000 0.452 380 Q N 0.107 119.872 119.800 -0.058 0.000 2.096 380 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 380 Q C 1.947 177.942 176.000 -0.009 0.000 0.982 380 Q CA 1.355 57.148 55.803 -0.017 0.000 0.850 380 Q CB 0.110 28.839 28.738 -0.014 0.000 0.901 380 Q HN 0.203 nan 8.270 nan 0.000 0.422 381 E N -0.011 120.180 120.200 -0.016 0.000 2.110 381 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 381 E C 1.652 178.269 176.600 0.028 0.000 0.988 381 E CA 0.707 57.119 56.400 0.019 0.000 0.804 381 E CB -0.386 29.309 29.700 -0.009 0.000 0.745 381 E HN 0.385 nan 8.360 nan 0.000 0.458 382 F N 2.807 122.656 119.950 -0.168 0.000 2.126 382 F HA -0.202 4.324 4.527 -0.002 0.000 0.299 382 F C 1.721 177.494 175.800 -0.045 0.000 1.096 382 F CA 1.426 59.313 58.000 -0.188 0.000 1.255 382 F CB -0.229 38.545 39.000 -0.377 0.000 0.997 382 F HN -0.021 nan 8.300 nan 0.000 0.479 383 N N 0.671 119.263 118.700 -0.181 0.000 2.142 383 N HA -0.124 4.616 4.740 -0.001 0.000 0.186 383 N C 1.978 177.403 175.510 -0.142 0.000 1.023 383 N CA 1.299 54.226 53.050 -0.206 0.000 0.852 383 N CB -0.519 37.951 38.487 -0.027 0.000 0.998 383 N HN 0.382 nan 8.380 nan 0.000 0.424 384 R N 0.418 120.879 120.500 -0.066 0.000 2.096 384 R HA -0.069 4.271 4.340 -0.001 0.000 0.240 384 R C 1.935 178.220 176.300 -0.024 0.000 1.139 384 R CA 0.909 56.994 56.100 -0.026 0.000 0.952 384 R CB -0.348 29.959 30.300 0.013 0.000 0.854 384 R HN 0.110 nan 8.270 nan 0.000 0.436 385 L N 0.801 122.011 121.223 -0.023 0.000 1.989 385 L HA -0.173 4.166 4.340 -0.001 0.000 0.211 385 L C 2.372 179.231 176.870 -0.019 0.000 1.071 385 L CA 1.596 56.448 54.840 0.019 0.000 0.749 385 L CB -1.151 40.974 42.059 0.110 0.000 0.890 385 L HN 0.225 nan 8.230 nan 0.000 0.431 386 L N -0.809 120.332 121.223 -0.137 0.000 2.042 386 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 386 L C 2.706 179.596 176.870 0.033 0.000 1.076 386 L CA 1.184 55.976 54.840 -0.080 0.000 0.749 386 L CB -0.424 41.513 42.059 -0.203 0.000 0.893 386 L HN 0.361 nan 8.230 nan 0.000 0.432 387 E N 0.381 120.586 120.200 0.009 0.000 2.085 387 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 387 E C 2.143 178.796 176.600 0.088 0.000 0.994 387 E CA 1.564 57.996 56.400 0.054 0.000 0.801 387 E CB 0.005 29.716 29.700 0.017 0.000 0.743 387 E HN 0.459 nan 8.360 nan 0.000 0.453 388 A N 0.491 123.348 122.820 0.062 0.000 1.908 388 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 388 A C 2.448 180.116 177.584 0.141 0.000 1.181 388 A CA 3.005 55.097 52.037 0.092 0.000 0.627 388 A CB -1.211 17.817 19.000 0.047 0.000 0.818 388 A HN 0.504 nan 8.150 nan 0.000 0.445 389 T N -3.421 111.198 114.554 0.109 0.000 2.915 389 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 389 T C 2.015 176.768 174.700 0.088 0.000 1.071 389 T CA 1.776 63.940 62.100 0.108 0.000 1.132 389 T CB -0.457 68.462 68.868 0.085 0.000 0.878 389 T HN 0.341 nan 8.240 nan 0.000 0.479 390 S N 0.008 115.781 115.700 0.122 0.000 2.371 390 S HA -0.074 4.395 4.470 -0.001 0.000 0.224 390 S C 1.768 176.412 174.600 0.072 0.000 1.029 390 S CA 0.747 59.008 58.200 0.101 0.000 0.978 390 S CB -0.682 62.633 63.200 0.192 0.000 0.833 390 S HN 0.644 nan 8.310 nan 0.000 0.466 391 Y N 1.658 121.971 120.300 0.021 0.000 2.114 391 Y HA -0.041 4.508 4.550 -0.001 0.000 0.284 391 Y C 1.954 177.856 175.900 0.003 0.000 1.143 391 Y CA 1.558 59.669 58.100 0.019 0.000 1.135 391 Y CB -0.868 37.599 38.460 0.012 0.000 0.980 391 Y HN 0.246 nan 8.280 nan 0.000 0.499 392 L N -0.338 120.884 121.223 -0.002 0.000 2.137 392 L HA -0.247 4.092 4.340 -0.001 0.000 0.213 392 L C 2.804 179.634 176.870 -0.067 0.000 1.085 392 L CA 2.214 57.029 54.840 -0.041 0.000 0.760 392 L CB -1.081 41.068 42.059 0.151 0.000 0.893 392 L HN 0.402 nan 8.230 nan 0.000 0.434 393 S N -1.726 113.874 115.700 -0.166 0.000 2.355 393 S HA -0.048 4.421 4.470 -0.001 0.000 0.216 393 S C 1.268 175.645 174.600 -0.372 0.000 1.037 393 S CA 0.182 58.182 58.200 -0.332 0.000 0.955 393 S CB -0.168 62.688 63.200 -0.574 0.000 0.877 393 S HN 0.535 nan 8.310 nan 0.000 0.488 394 H N 0.775 119.811 119.070 -0.057 0.000 2.655 394 H HA 0.455 5.010 4.556 -0.002 0.000 0.309 394 H C 0.671 175.942 175.328 -0.096 0.000 1.180 394 H CA 0.122 56.133 56.048 -0.063 0.000 1.087 394 H CB 0.542 30.283 29.762 -0.035 0.000 1.494 394 H HN 0.446 nan 8.280 nan 0.000 0.515 395 Q N -0.095 119.625 119.800 -0.134 0.000 2.378 395 Q HA 0.163 4.503 4.340 -0.001 0.000 0.184 395 Q C 0.541 176.381 176.000 -0.265 0.000 0.715 395 Q CA 0.122 55.785 55.803 -0.233 0.000 0.903 395 Q CB 0.288 28.710 28.738 -0.526 0.000 1.266 395 Q HN 0.316 nan 8.270 nan 0.000 0.415 396 L N 1.195 122.218 121.223 -0.334 0.000 2.728 396 L HA 0.347 4.687 4.340 -0.001 0.000 0.238 396 L C -0.209 176.615 176.870 -0.077 0.000 1.143 396 L CA 0.403 55.118 54.840 -0.208 0.000 0.937 396 L CB 0.300 42.206 42.059 -0.254 0.000 1.225 396 L HN 0.345 nan 8.230 nan 0.000 0.507 397 D N 1.072 121.431 120.400 -0.069 0.000 2.692 397 D HA -0.308 4.331 4.640 -0.001 0.000 0.233 397 D C 0.132 176.462 176.300 0.050 0.000 1.172 397 D CA 0.329 54.318 54.000 -0.019 0.000 0.636 397 D CB -0.930 39.865 40.800 -0.008 0.000 1.028 397 D HN 0.269 nan 8.370 nan 0.000 0.419 398 F N 0.830 120.712 119.950 -0.114 0.000 2.733 398 F HA 0.363 4.890 4.527 -0.001 0.000 0.344 398 F C 0.650 176.403 175.800 -0.079 0.000 1.179 398 F CA -0.639 57.310 58.000 -0.085 0.000 1.316 398 F CB -0.414 38.535 39.000 -0.086 0.000 1.577 398 F HN 0.037 nan 8.300 nan 0.000 0.591 399 N N 1.048 119.642 118.700 -0.176 0.000 2.236 399 N HA 0.118 4.857 4.740 -0.001 0.000 0.196 399 N C -0.658 174.712 175.510 -0.234 0.000 1.114 399 N CA 0.373 53.273 53.050 -0.251 0.000 0.859 399 N CB 1.327 39.726 38.487 -0.147 0.000 0.982 399 N HN 0.182 nan 8.380 nan 0.000 0.493 400 V N 1.341 121.133 119.914 -0.203 0.000 2.932 400 V HA 0.461 4.580 4.120 -0.001 0.000 0.307 400 V C -1.192 174.844 176.094 -0.097 0.000 1.147 400 V CA -0.905 61.315 62.300 -0.133 0.000 0.951 400 V CB 2.892 34.684 31.823 -0.052 0.000 1.031 400 V HN -0.119 nan 8.190 nan 0.000 0.426 401 L N 3.808 124.984 121.223 -0.079 0.000 2.470 401 L HA 0.657 4.996 4.340 -0.001 0.000 0.268 401 L C -0.018 176.852 176.870 -0.000 0.000 0.964 401 L CA 0.151 54.987 54.840 -0.007 0.000 0.839 401 L CB 1.781 43.841 42.059 0.002 0.000 1.276 401 L HN 0.696 nan 8.230 nan 0.000 0.403 402 N N 3.932 122.643 118.700 0.019 0.000 2.721 402 N HA -0.242 4.497 4.740 -0.001 0.000 0.249 402 N C 0.303 175.815 175.510 0.004 0.000 1.072 402 N CA 1.110 54.168 53.050 0.013 0.000 0.710 402 N CB -1.071 37.424 38.487 0.013 0.000 0.993 402 N HN 0.788 nan 8.380 nan 0.000 0.547 403 N N -3.050 115.651 118.700 0.002 0.000 2.929 403 N HA -0.226 4.513 4.740 -0.001 0.000 0.234 403 N C -0.634 174.872 175.510 -0.007 0.000 0.908 403 N CA 1.803 54.853 53.050 -0.001 0.000 0.993 403 N CB -0.648 37.841 38.487 0.003 0.000 1.075 403 N HN 0.608 nan 8.380 nan 0.000 0.603 404 K N 1.224 121.616 120.400 -0.014 0.000 2.118 404 K HA 0.468 4.787 4.320 -0.001 0.000 0.267 404 K C -2.507 174.069 176.600 -0.039 0.000 0.991 404 K CA -1.502 54.774 56.287 -0.018 0.000 0.916 404 K CB 0.898 33.388 32.500 -0.016 0.000 1.041 404 K HN -0.114 nan 8.250 nan 0.000 0.455 405 P HA 0.028 nan 4.420 nan 0.000 0.275 405 P C -0.815 176.431 177.300 -0.091 0.000 1.228 405 P CA -0.438 62.631 63.100 -0.052 0.000 0.786 405 P CB 0.610 32.306 31.700 -0.008 0.000 0.927 406 V N 2.691 122.507 119.914 -0.164 0.000 2.461 406 V HA 0.184 4.303 4.120 -0.001 0.000 0.275 406 V C 0.807 176.815 176.094 -0.143 0.000 1.047 406 V CA -0.107 62.058 62.300 -0.225 0.000 0.955 406 V CB 0.499 32.043 31.823 -0.464 0.000 0.988 406 V HN 0.668 nan 8.190 nan 0.000 0.471 407 S N 4.850 120.486 115.700 -0.107 0.000 2.645 407 S HA 0.373 4.843 4.470 -0.001 0.000 0.266 407 S C 0.793 175.331 174.600 -0.104 0.000 1.258 407 S CA -0.589 57.567 58.200 -0.074 0.000 0.990 407 S CB 1.303 64.462 63.200 -0.068 0.000 0.967 407 S HN 0.539 nan 8.310 nan 0.000 0.556 408 L N 1.813 122.962 121.223 -0.123 0.000 2.056 408 L HA 0.200 4.539 4.340 -0.001 0.000 0.207 408 L C 2.295 179.041 176.870 -0.206 0.000 1.078 408 L CA 2.410 57.135 54.840 -0.192 0.000 0.749 408 L CB -1.641 40.165 42.059 -0.422 0.000 0.901 408 L HN 0.957 nan 8.230 nan 0.000 0.433 409 G N -1.403 107.260 108.800 -0.228 0.000 2.432 409 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.219 409 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.219 409 G C 1.497 176.298 174.900 -0.164 0.000 1.135 409 G CA 0.717 45.668 45.100 -0.249 0.000 0.767 409 G HN 0.531 nan 8.290 nan 0.000 0.550 410 Q N -0.002 119.728 119.800 -0.116 0.000 2.030 410 Q HA -0.086 4.253 4.340 -0.001 0.000 0.204 410 Q C 2.952 178.941 176.000 -0.019 0.000 0.986 410 Q CA 1.601 57.365 55.803 -0.065 0.000 0.843 410 Q CB -0.299 28.395 28.738 -0.074 0.000 0.904 410 Q HN 0.420 nan 8.270 nan 0.000 0.420 411 A N 0.768 123.576 122.820 -0.020 0.000 1.865 411 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 411 A C 2.080 179.691 177.584 0.044 0.000 1.191 411 A CA 1.544 53.626 52.037 0.074 0.000 0.623 411 A CB -1.020 18.011 19.000 0.052 0.000 0.826 411 A HN 0.449 nan 8.150 nan 0.000 0.444 412 L N -0.549 120.657 121.223 -0.030 0.000 2.013 412 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 412 L C 2.710 179.579 176.870 -0.002 0.000 1.073 412 L CA 1.639 56.463 54.840 -0.026 0.000 0.753 412 L CB -0.723 41.236 42.059 -0.167 0.000 0.890 412 L HN 0.379 nan 8.230 nan 0.000 0.432 413 E N -0.272 119.904 120.200 -0.041 0.000 2.110 413 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 413 E C 2.370 178.984 176.600 0.023 0.000 0.988 413 E CA 1.005 57.400 56.400 -0.008 0.000 0.804 413 E CB -0.466 29.216 29.700 -0.030 0.000 0.745 413 E HN 0.319 nan 8.360 nan 0.000 0.458 414 V N 0.913 120.849 119.914 0.036 0.000 2.358 414 V HA -0.176 3.943 4.120 -0.001 0.000 0.246 414 V C 2.489 178.590 176.094 0.012 0.000 1.047 414 V CA 1.127 63.451 62.300 0.040 0.000 1.035 414 V CB -0.322 31.561 31.823 0.100 0.000 0.658 414 V HN 0.065 nan 8.190 nan 0.000 0.452 415 V N -0.044 119.886 119.914 0.026 0.000 2.515 415 V HA -0.198 3.921 4.120 -0.001 0.000 0.250 415 V C 2.226 178.298 176.094 -0.037 0.000 1.058 415 V CA 1.421 63.721 62.300 0.000 0.000 1.064 415 V CB -0.433 31.410 31.823 0.034 0.000 0.675 415 V HN 0.401 nan 8.190 nan 0.000 0.461 416 I N -0.473 120.104 120.570 0.010 0.000 2.353 416 I HA -0.180 3.989 4.170 -0.001 0.000 0.248 416 I C 2.475 178.554 176.117 -0.063 0.000 1.119 416 I CA 1.323 62.628 61.300 0.008 0.000 1.417 416 I CB -1.144 36.951 38.000 0.158 0.000 1.078 416 I HN 0.401 nan 8.210 nan 0.000 0.421 417 Q N 0.655 120.441 119.800 -0.023 0.000 2.061 417 Q HA -0.185 4.154 4.340 -0.001 0.000 0.204 417 Q C 2.470 178.430 176.000 -0.067 0.000 0.984 417 Q CA 1.532 57.320 55.803 -0.026 0.000 0.846 417 Q CB -0.063 28.670 28.738 -0.009 0.000 0.902 417 Q HN 0.462 nan 8.270 nan 0.000 0.421 418 L N 0.341 121.513 121.223 -0.084 0.000 2.012 418 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 418 L C 2.612 179.400 176.870 -0.137 0.000 1.073 418 L CA 1.048 55.831 54.840 -0.095 0.000 0.748 418 L CB -0.614 41.386 42.059 -0.097 0.000 0.891 418 L HN 0.296 nan 8.230 nan 0.000 0.431 419 Q N 0.229 119.866 119.800 -0.271 0.000 2.135 419 Q HA -0.228 4.111 4.340 -0.001 0.000 0.204 419 Q C 2.080 177.866 176.000 -0.357 0.000 0.981 419 Q CA 1.562 57.082 55.803 -0.473 0.000 0.856 419 Q CB -0.167 27.850 28.738 -1.201 0.000 0.902 419 Q HN 0.596 nan 8.270 nan 0.000 0.425 420 E N 0.156 120.206 120.200 -0.249 0.000 2.110 420 E HA -0.194 4.155 4.350 -0.001 0.000 0.193 420 E C 1.930 178.507 176.600 -0.037 0.000 0.988 420 E CA 1.046 57.411 56.400 -0.058 0.000 0.804 420 E CB 0.059 29.764 29.700 0.009 0.000 0.745 420 E HN 0.040 nan 8.360 nan 0.000 0.458 421 K N 0.555 120.930 120.400 -0.041 0.000 2.001 421 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 421 K C 2.058 178.652 176.600 -0.010 0.000 1.048 421 K CA 1.726 58.001 56.287 -0.021 0.000 0.932 421 K CB -0.480 32.011 32.500 -0.016 0.000 0.715 421 K HN 0.081 nan 8.250 nan 0.000 0.437 422 H N -0.171 118.842 119.070 -0.095 0.000 2.390 422 H HA -0.083 4.472 4.556 -0.001 0.000 0.298 422 H C 1.596 176.877 175.328 -0.078 0.000 1.106 422 H CA 1.995 57.992 56.048 -0.086 0.000 1.297 422 H CB -0.218 29.486 29.762 -0.096 0.000 1.375 422 H HN 0.067 nan 8.280 nan 0.000 0.509 423 V N 0.589 120.397 119.914 -0.176 0.000 2.323 423 V HA -0.201 3.918 4.120 -0.001 0.000 0.244 423 V C 2.578 178.538 176.094 -0.224 0.000 1.041 423 V CA 2.081 64.251 62.300 -0.216 0.000 1.025 423 V CB -0.562 31.227 31.823 -0.056 0.000 0.656 423 V HN 0.428 nan 8.190 nan 0.000 0.451 424 K N -0.048 120.262 120.400 -0.149 0.000 2.063 424 K HA -0.271 4.049 4.320 -0.001 0.000 0.208 424 K C 1.832 178.315 176.600 -0.195 0.000 1.048 424 K CA 2.109 58.301 56.287 -0.158 0.000 0.928 424 K CB -0.279 32.178 32.500 -0.072 0.000 0.713 424 K HN 0.432 nan 8.250 nan 0.000 0.442 425 D N 0.882 121.187 120.400 -0.158 0.000 2.117 425 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 425 D C 1.604 177.792 176.300 -0.187 0.000 0.987 425 D CA 1.208 55.128 54.000 -0.133 0.000 0.829 425 D CB -0.046 40.713 40.800 -0.069 0.000 0.961 425 D HN 0.410 nan 8.370 nan 0.000 0.460 426 E N 0.169 120.199 120.200 -0.283 0.000 2.358 426 E HA -0.121 4.228 4.350 -0.001 0.000 0.195 426 E C 1.903 178.334 176.600 -0.282 0.000 1.010 426 E CA 0.136 56.377 56.400 -0.263 0.000 0.856 426 E CB 0.081 29.578 29.700 -0.337 0.000 0.795 426 E HN 0.372 nan 8.360 nan 0.000 0.504 427 Q N 0.545 120.103 119.800 -0.404 0.000 2.137 427 Q HA -0.129 4.210 4.340 -0.001 0.000 0.198 427 Q C 2.086 177.621 176.000 -0.774 0.000 0.960 427 Q CA 0.699 56.086 55.803 -0.692 0.000 0.847 427 Q CB 0.269 28.495 28.738 -0.854 0.000 0.915 427 Q HN 0.153 nan 8.270 nan 0.000 0.448 428 I N 1.555 121.865 120.570 -0.433 0.000 2.090 428 I HA -0.265 3.904 4.170 -0.001 0.000 0.236 428 I C 2.030 178.141 176.117 -0.010 0.000 1.064 428 I CA 1.646 62.873 61.300 -0.120 0.000 1.324 428 I CB -1.455 36.534 38.000 -0.019 0.000 1.044 428 I HN 0.327 nan 8.210 nan 0.000 0.399 429 E N -0.527 119.653 120.200 -0.034 0.000 2.233 429 E HA -0.286 4.063 4.350 -0.001 0.000 0.199 429 E C 2.126 178.744 176.600 0.031 0.000 1.004 429 E CA 1.139 57.542 56.400 0.004 0.000 0.819 429 E CB -0.322 29.372 29.700 -0.011 0.000 0.738 429 E HN 0.579 nan 8.360 nan 0.000 0.478 430 H N -0.632 118.381 119.070 -0.095 0.000 2.384 430 H HA -0.074 4.481 4.556 -0.001 0.000 0.300 430 H C 1.600 176.985 175.328 0.095 0.000 1.057 430 H CA 0.906 56.922 56.048 -0.054 0.000 1.370 430 H CB 0.072 29.744 29.762 -0.151 0.000 1.417 430 H HN 0.250 nan 8.280 nan 0.000 0.527 431 W N 1.968 123.326 121.300 0.098 0.000 2.392 431 W HA -0.073 4.586 4.660 -0.001 0.000 0.279 431 W C 2.318 178.825 176.519 -0.021 0.000 1.225 431 W CA 0.523 57.891 57.345 0.038 0.000 1.233 431 W CB -0.300 29.189 29.460 0.047 0.000 1.122 431 W HN 0.259 nan 8.180 nan 0.000 0.561 432 K N 0.252 120.771 120.400 0.198 0.000 2.062 432 K HA -0.107 4.213 4.320 -0.001 0.000 0.205 432 K C 1.955 178.571 176.600 0.027 0.000 1.051 432 K CA 1.054 57.397 56.287 0.095 0.000 0.941 432 K CB -0.279 32.262 32.500 0.070 0.000 0.719 432 K HN 0.041 nan 8.250 nan 0.000 0.440 433 K N 0.691 121.078 120.400 -0.022 0.000 2.063 433 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 433 K C 2.107 178.657 176.600 -0.083 0.000 1.048 433 K CA 1.085 57.326 56.287 -0.078 0.000 0.928 433 K CB -0.094 32.310 32.500 -0.160 0.000 0.713 433 K HN 0.048 nan 8.250 nan 0.000 0.442 434 I N 0.839 121.355 120.570 -0.089 0.000 2.072 434 I HA -0.250 3.919 4.170 -0.001 0.000 0.235 434 I C 2.406 178.514 176.117 -0.014 0.000 1.058 434 I CA 1.237 62.508 61.300 -0.047 0.000 1.320 434 I CB -1.224 36.790 38.000 0.024 0.000 1.047 434 I HN -0.070 nan 8.210 nan 0.000 0.397 435 V N 1.388 121.308 119.914 0.010 0.000 2.277 435 V HA -0.352 3.767 4.120 -0.001 0.000 0.253 435 V C 2.639 178.729 176.094 -0.007 0.000 1.067 435 V CA 2.433 64.733 62.300 -0.001 0.000 1.047 435 V CB -0.914 30.913 31.823 0.008 0.000 0.649 435 V HN 0.389 nan 8.190 nan 0.000 0.447 436 K N 0.331 120.727 120.400 -0.006 0.000 2.032 436 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 436 K C 2.086 178.676 176.600 -0.017 0.000 1.048 436 K CA 2.424 58.705 56.287 -0.010 0.000 0.927 436 K CB -1.035 31.459 32.500 -0.010 0.000 0.712 436 K HN 0.461 nan 8.250 nan 0.000 0.441 437 T N 0.984 115.524 114.554 -0.023 0.000 2.929 437 T HA -0.090 4.259 4.350 -0.001 0.000 0.271 437 T C 1.511 176.198 174.700 -0.021 0.000 1.085 437 T CA 1.361 63.446 62.100 -0.025 0.000 1.125 437 T CB -0.113 68.736 68.868 -0.032 0.000 0.874 437 T HN 0.413 nan 8.240 nan 0.000 0.494 438 Q N 0.227 120.016 119.800 -0.019 0.000 2.212 438 Q HA 0.028 4.367 4.340 -0.001 0.000 0.199 438 Q C 2.206 178.195 176.000 -0.018 0.000 0.950 438 Q CA 0.730 56.522 55.803 -0.018 0.000 0.863 438 Q CB 0.071 28.798 28.738 -0.018 0.000 0.944 438 Q HN 0.605 nan 8.270 nan 0.000 0.465 439 E N 1.473 121.663 120.200 -0.017 0.000 2.046 439 E HA -0.164 4.185 4.350 -0.001 0.000 0.190 439 E C 1.827 178.416 176.600 -0.018 0.000 0.982 439 E CA 0.839 57.229 56.400 -0.017 0.000 0.800 439 E CB 0.051 29.742 29.700 -0.014 0.000 0.756 439 E HN 0.360 nan 8.360 nan 0.000 0.449 440 E N 0.996 121.184 120.200 -0.019 0.000 2.097 440 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 440 E C 2.264 178.848 176.600 -0.026 0.000 1.000 440 E CA 0.913 57.300 56.400 -0.022 0.000 0.804 440 E CB -0.147 29.540 29.700 -0.022 0.000 0.740 440 E HN 0.234 nan 8.360 nan 0.000 0.454 441 L N 0.987 122.195 121.223 -0.025 0.000 1.994 441 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 441 L C 2.730 179.584 176.870 -0.027 0.000 1.071 441 L CA 1.236 56.059 54.840 -0.027 0.000 0.745 441 L CB -0.441 41.604 42.059 -0.023 0.000 0.892 441 L HN 0.081 nan 8.230 nan 0.000 0.431 442 K N 0.371 120.757 120.400 -0.022 0.000 2.160 442 K HA -0.224 4.095 4.320 -0.001 0.000 0.206 442 K C 1.781 178.369 176.600 -0.021 0.000 1.047 442 K CA 1.636 57.911 56.287 -0.020 0.000 0.930 442 K CB 0.083 32.573 32.500 -0.017 0.000 0.720 442 K HN 0.456 nan 8.250 nan 0.000 0.450 443 E N 0.553 120.739 120.200 -0.023 0.000 2.076 443 E HA -0.114 4.235 4.350 -0.001 0.000 0.190 443 E C 1.982 178.563 176.600 -0.032 0.000 0.979 443 E CA 0.358 56.744 56.400 -0.024 0.000 0.807 443 E CB -0.073 29.613 29.700 -0.022 0.000 0.761 443 E HN 0.177 nan 8.360 nan 0.000 0.454 444 L N 1.127 122.327 121.223 -0.039 0.000 2.046 444 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 444 L C 2.140 178.971 176.870 -0.064 0.000 1.077 444 L CA 1.369 56.176 54.840 -0.056 0.000 0.747 444 L CB -0.394 41.629 42.059 -0.060 0.000 0.896 444 L HN 0.195 nan 8.230 nan 0.000 0.432 445 L N 0.772 121.965 121.223 -0.049 0.000 2.079 445 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 445 L C 2.564 179.415 176.870 -0.031 0.000 1.081 445 L CA 1.809 56.624 54.840 -0.042 0.000 0.752 445 L CB -1.086 40.958 42.059 -0.026 0.000 0.896 445 L HN 0.470 nan 8.230 nan 0.000 0.433 446 N N 0.754 119.438 118.700 -0.026 0.000 2.051 446 N HA -0.250 4.490 4.740 -0.001 0.000 0.192 446 N C 1.923 177.423 175.510 -0.016 0.000 1.049 446 N CA 1.836 54.876 53.050 -0.016 0.000 0.845 446 N CB -0.025 38.454 38.487 -0.014 0.000 1.031 446 N HN 0.474 nan 8.380 nan 0.000 0.425 447 K N 0.480 120.864 120.400 -0.026 0.000 2.218 447 K HA -0.126 4.193 4.320 -0.001 0.000 0.205 447 K C 2.212 178.796 176.600 -0.027 0.000 1.046 447 K CA 1.534 57.806 56.287 -0.025 0.000 0.933 447 K CB -0.250 32.229 32.500 -0.034 0.000 0.728 447 K HN 0.245 nan 8.250 nan 0.000 0.454 448 M N 0.830 120.395 119.600 -0.059 0.000 2.117 448 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 448 M C 1.996 178.342 176.300 0.077 0.000 1.065 448 M CA 1.268 56.515 55.300 -0.089 0.000 1.114 448 M CB -0.108 32.373 32.600 -0.197 0.000 1.361 448 M HN 0.031 nan 8.290 nan 0.000 0.408 449 V N 0.676 120.620 119.914 0.051 0.000 2.913 449 V HA -0.216 3.903 4.120 -0.001 0.000 0.260 449 V C 1.445 177.572 176.094 0.054 0.000 1.098 449 V CA 1.511 63.851 62.300 0.067 0.000 1.121 449 V CB -1.046 30.797 31.823 0.034 0.000 0.714 449 V HN 0.540 nan 8.190 nan 0.000 0.487 450 N N -0.493 118.232 118.700 0.042 0.000 2.395 450 N HA -0.001 4.738 4.740 -0.001 0.000 0.175 450 N C 1.591 177.126 175.510 0.040 0.000 1.029 450 N CA 0.268 53.335 53.050 0.028 0.000 0.897 450 N CB 0.108 38.603 38.487 0.013 0.000 0.991 450 N HN 0.291 nan 8.380 nan 0.000 0.441 451 L N 1.553 122.825 121.223 0.081 0.000 2.313 451 L HA 0.037 4.376 4.340 -0.001 0.000 0.214 451 L C 1.890 178.824 176.870 0.107 0.000 1.119 451 L CA 1.320 56.229 54.840 0.114 0.000 0.809 451 L CB -0.087 42.089 42.059 0.195 0.000 0.933 451 L HN -0.097 nan 8.230 nan 0.000 0.449 452 K N -0.299 120.176 120.400 0.124 0.000 2.031 452 K HA -0.157 4.163 4.320 -0.001 0.000 0.205 452 K C 2.051 178.631 176.600 -0.032 0.000 1.049 452 K CA 1.147 57.435 56.287 0.002 0.000 0.939 452 K CB -0.198 32.325 32.500 0.038 0.000 0.717 452 K HN 0.217 nan 8.250 nan 0.000 0.438 453 E N 1.522 121.720 120.200 -0.002 0.000 2.085 453 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 453 E C 1.915 178.493 176.600 -0.036 0.000 0.994 453 E CA 1.598 57.988 56.400 -0.017 0.000 0.801 453 E CB -0.013 29.685 29.700 -0.003 0.000 0.743 453 E HN 0.187 nan 8.360 nan 0.000 0.453 454 K N -0.510 119.873 120.400 -0.029 0.000 2.057 454 K HA -0.104 4.215 4.320 -0.001 0.000 0.206 454 K C 1.906 178.445 176.600 -0.101 0.000 1.050 454 K CA 1.227 57.486 56.287 -0.047 0.000 0.935 454 K CB -0.177 32.308 32.500 -0.024 0.000 0.715 454 K HN 0.115 nan 8.250 nan 0.000 0.439 455 I N 1.727 122.223 120.570 -0.123 0.000 2.614 455 I HA -0.212 3.957 4.170 -0.001 0.000 0.258 455 I C 1.710 177.690 176.117 -0.228 0.000 1.189 455 I CA 1.387 62.556 61.300 -0.217 0.000 1.462 455 I CB -0.052 37.793 38.000 -0.259 0.000 1.092 455 I HN 0.088 nan 8.210 nan 0.000 0.442 456 K N 0.161 120.476 120.400 -0.141 0.000 2.155 456 K HA -0.087 4.232 4.320 -0.001 0.000 0.203 456 K C 1.606 178.139 176.600 -0.112 0.000 1.052 456 K CA 0.911 57.140 56.287 -0.096 0.000 0.948 456 K CB -0.111 32.356 32.500 -0.055 0.000 0.728 456 K HN 0.370 nan 8.250 nan 0.000 0.448 457 E N 0.623 120.747 120.200 -0.127 0.000 2.515 457 E HA -0.081 4.268 4.350 -0.001 0.000 0.201 457 E C 1.325 177.776 176.600 -0.249 0.000 1.071 457 E CA 0.530 56.858 56.400 -0.119 0.000 0.880 457 E CB 0.101 29.755 29.700 -0.076 0.000 0.828 457 E HN 0.297 nan 8.360 nan 0.000 0.540 458 L N -1.556 119.417 121.223 -0.417 0.000 2.600 458 L HA 0.125 4.464 4.340 -0.001 0.000 0.213 458 L C 1.295 177.824 176.870 -0.569 0.000 1.045 458 L CA 0.057 54.321 54.840 -0.961 0.000 0.863 458 L CB -0.065 41.337 42.059 -1.095 0.000 1.189 458 L HN 0.141 nan 8.230 nan 0.000 0.484 459 H N 1.630 120.501 119.070 -0.333 0.000 3.109 459 H HA 0.197 4.753 4.556 -0.001 0.000 0.298 459 H C -0.191 175.069 175.328 -0.114 0.000 1.248 459 H CA -0.049 55.894 56.048 -0.174 0.000 1.204 459 H CB 0.191 29.877 29.762 -0.128 0.000 1.367 459 H HN 0.205 nan 8.280 nan 0.000 0.592 460 Q N -0.230 119.563 119.800 -0.011 0.000 2.721 460 Q HA -0.017 4.323 4.340 -0.001 0.000 0.282 460 Q C -0.119 175.909 176.000 0.046 0.000 0.932 460 Q CA -0.284 55.527 55.803 0.014 0.000 0.816 460 Q CB 2.031 30.765 28.738 -0.005 0.000 1.506 460 Q HN 0.515 nan 8.270 nan 0.000 0.399 461 Q N 0.048 119.909 119.800 0.101 0.000 3.303 461 Q HA -0.257 4.082 4.340 -0.001 0.000 0.206 461 Q C -0.729 175.444 176.000 0.287 0.000 2.771 461 Q CA 1.588 57.499 55.803 0.179 0.000 0.261 461 Q CB -1.180 27.690 28.738 0.220 0.000 0.203 461 Q HN 0.616 nan 8.270 nan 0.000 0.468 462 Y N 2.252 122.569 120.300 0.029 0.000 2.784 462 Y HA 0.287 4.836 4.550 -0.001 0.000 0.355 462 Y C 0.769 176.689 175.900 0.034 0.000 1.198 462 Y CA 1.442 59.562 58.100 0.034 0.000 1.588 462 Y CB 0.084 38.575 38.460 0.051 0.000 1.220 462 Y HN 0.327 nan 8.280 nan 0.000 0.517 463 K N 1.673 122.153 120.400 0.134 0.000 2.252 463 K HA 0.031 4.350 4.320 -0.001 0.000 0.094 463 K C -1.098 175.528 176.600 0.045 0.000 1.456 463 K CA 0.031 56.365 56.287 0.078 0.000 0.461 463 K CB -0.327 32.220 32.500 0.078 0.000 2.785 463 K HN 0.707 nan 8.250 nan 0.000 0.568 475 T N 1.894 116.468 114.554 0.034 0.000 3.129 475 T HA 0.373 4.722 4.350 -0.001 0.000 0.251 475 T C 1.888 176.638 174.700 0.083 0.000 1.117 475 T CA 0.938 63.073 62.100 0.059 0.000 1.034 475 T CB 0.310 69.218 68.868 0.068 0.000 0.968 475 T HN 0.496 nan 8.240 nan 0.000 0.526 476 A N 1.870 124.718 122.820 0.046 0.000 2.093 476 A HA -0.206 4.113 4.320 -0.001 0.000 0.222 476 A C 2.041 179.650 177.584 0.042 0.000 1.162 476 A CA 1.581 53.635 52.037 0.028 0.000 0.655 476 A CB -0.534 18.472 19.000 0.011 0.000 0.805 476 A HN 0.599 nan 8.150 nan 0.000 0.461 477 E N -2.464 117.776 120.200 0.067 0.000 2.510 477 E HA -0.132 4.217 4.350 -0.001 0.000 0.202 477 E C 0.920 177.613 176.600 0.155 0.000 1.072 477 E CA 0.830 57.276 56.400 0.077 0.000 0.883 477 E CB -0.101 29.639 29.700 0.066 0.000 0.818 477 E HN 0.698 nan 8.360 nan 0.000 0.548 478 F N -0.996 118.941 119.950 -0.021 0.000 2.876 478 F HA 0.134 4.660 4.527 -0.001 0.000 0.344 478 F C 1.128 176.909 175.800 -0.031 0.000 1.029 478 F CA -0.301 57.687 58.000 -0.021 0.000 1.154 478 F CB 0.151 39.140 39.000 -0.018 0.000 1.040 478 F HN 0.022 nan 8.300 nan 0.000 0.576 479 L N -0.064 121.127 121.223 -0.054 0.000 2.127 479 L HA 0.083 4.422 4.340 -0.001 0.000 0.203 479 L C 1.889 178.641 176.870 -0.197 0.000 1.080 479 L CA 1.626 56.372 54.840 -0.156 0.000 0.768 479 L CB -0.678 41.337 42.059 -0.072 0.000 0.924 479 L HN -0.011 nan 8.230 nan 0.000 0.444 480 V N -0.204 119.643 119.914 -0.112 0.000 2.343 480 V HA -0.227 3.892 4.120 -0.001 0.000 0.247 480 V C 2.704 178.751 176.094 -0.078 0.000 1.051 480 V CA 1.489 63.744 62.300 -0.075 0.000 1.036 480 V CB -0.748 31.053 31.823 -0.037 0.000 0.654 480 V HN 0.366 nan 8.190 nan 0.000 0.451 481 K N 0.192 120.518 120.400 -0.124 0.000 2.097 481 K HA -0.091 4.229 4.320 -0.001 0.000 0.206 481 K C 2.373 178.854 176.600 -0.199 0.000 1.049 481 K CA 1.639 57.847 56.287 -0.131 0.000 0.933 481 K CB -0.397 32.021 32.500 -0.137 0.000 0.717 481 K HN 0.469 nan 8.250 nan 0.000 0.442 482 S N 0.724 116.196 115.700 -0.379 0.000 2.414 482 S HA 0.003 4.472 4.470 -0.001 0.000 0.227 482 S C 1.658 176.126 174.600 -0.222 0.000 1.022 482 S CA 0.760 58.738 58.200 -0.369 0.000 0.958 482 S CB 0.160 63.043 63.200 -0.529 0.000 0.797 482 S HN 0.172 nan 8.310 nan 0.000 0.493 483 K N 0.600 120.856 120.400 -0.239 0.000 2.186 483 K HA 0.088 4.407 4.320 -0.001 0.000 0.202 483 K C 1.782 178.436 176.600 0.089 0.000 1.052 483 K CA 0.845 56.970 56.287 -0.270 0.000 0.965 483 K CB -0.463 31.619 32.500 -0.697 0.000 0.746 483 K HN 0.411 nan 8.250 nan 0.000 0.457 484 H N 2.127 121.190 119.070 -0.012 0.000 2.256 484 H HA -0.049 4.506 4.556 -0.001 0.000 0.301 484 H C 1.918 177.262 175.328 0.026 0.000 1.062 484 H CA 2.403 58.477 56.048 0.043 0.000 1.283 484 H CB -0.000 29.769 29.762 0.012 0.000 1.379 484 H HN 0.128 nan 8.280 nan 0.000 0.493 485 R N 0.278 120.811 120.500 0.055 0.000 2.371 485 R HA -0.121 4.218 4.340 -0.001 0.000 0.226 485 R C 0.747 177.028 176.300 -0.032 0.000 1.132 485 R CA 1.736 57.830 56.100 -0.010 0.000 1.027 485 R CB -0.122 30.181 30.300 0.004 0.000 0.848 485 R HN 0.359 nan 8.270 nan 0.000 0.479 486 D N 0.994 121.388 120.400 -0.010 0.000 2.232 486 D HA -0.032 4.607 4.640 -0.001 0.000 0.220 486 D C 1.877 178.180 176.300 0.005 0.000 0.982 486 D CA 0.661 54.675 54.000 0.022 0.000 0.892 486 D CB -0.353 40.499 40.800 0.086 0.000 1.040 486 D HN 0.136 nan 8.370 nan 0.000 0.463 487 L N 1.036 122.282 121.223 0.039 0.000 2.081 487 L HA -0.233 4.106 4.340 -0.001 0.000 0.212 487 L C 2.380 179.143 176.870 -0.177 0.000 1.080 487 L CA 2.052 56.834 54.840 -0.096 0.000 0.754 487 L CB -0.490 41.501 42.059 -0.114 0.000 0.893 487 L HN 0.220 nan 8.230 nan 0.000 0.433 488 T N -2.973 111.451 114.554 -0.217 0.000 2.737 488 T HA -0.141 4.208 4.350 -0.001 0.000 0.265 488 T C 1.930 176.568 174.700 -0.105 0.000 1.038 488 T CA 0.910 62.891 62.100 -0.198 0.000 1.144 488 T CB -0.801 67.933 68.868 -0.223 0.000 0.866 488 T HN 0.397 nan 8.240 nan 0.000 0.434 489 A N 1.705 124.480 122.820 -0.075 0.000 2.042 489 A HA 0.060 4.379 4.320 -0.001 0.000 0.222 489 A C 2.148 179.715 177.584 -0.029 0.000 1.167 489 A CA 1.371 53.385 52.037 -0.038 0.000 0.649 489 A CB -1.025 17.961 19.000 -0.024 0.000 0.809 489 A HN 0.650 nan 8.150 nan 0.000 0.457 490 L N -1.239 119.957 121.223 -0.045 0.000 2.737 490 L HA 0.079 4.418 4.340 -0.001 0.000 0.236 490 L C 0.685 177.547 176.870 -0.013 0.000 1.219 490 L CA -0.360 54.463 54.840 -0.028 0.000 1.021 490 L CB -0.178 41.849 42.059 -0.052 0.000 1.291 490 L HN 0.503 nan 8.230 nan 0.000 0.470 491 C N -1.921 117.372 119.300 -0.012 0.000 3.484 491 C HA -0.004 4.455 4.460 -0.001 0.000 0.543 491 C C 2.156 177.171 174.990 0.042 0.000 1.395 491 C CA -0.455 58.573 59.018 0.016 0.000 2.412 491 C CB 0.291 27.998 27.740 -0.055 0.000 3.532 491 C HN 0.459 nan 8.230 nan 0.000 0.584 492 K N 1.454 121.860 120.400 0.011 0.000 2.551 492 K HA 0.039 4.358 4.320 -0.001 0.000 0.192 492 K C 1.258 177.868 176.600 0.016 0.000 1.027 492 K CA 0.920 57.214 56.287 0.011 0.000 1.059 492 K CB 0.082 32.581 32.500 -0.001 0.000 0.831 492 K HN 0.580 nan 8.250 nan 0.000 0.508 493 E N -1.211 119.009 120.200 0.033 0.000 2.419 493 E HA -0.047 4.302 4.350 -0.001 0.000 0.197 493 E C 1.100 177.725 176.600 0.041 0.000 0.920 493 E CA -0.047 56.370 56.400 0.027 0.000 1.085 493 E CB -0.163 29.554 29.700 0.029 0.000 1.084 493 E HN 0.179 nan 8.360 nan 0.000 0.490 494 Y N 3.109 123.386 120.300 -0.038 0.000 2.062 494 Y HA -0.224 4.325 4.550 -0.001 0.000 0.272 494 Y C 1.692 177.575 175.900 -0.028 0.000 1.117 494 Y CA 2.605 60.684 58.100 -0.036 0.000 1.095 494 Y CB -0.391 38.041 38.460 -0.046 0.000 0.985 494 Y HN 0.080 nan 8.280 nan 0.000 0.479 495 D N -0.693 119.925 120.400 0.363 0.000 2.389 495 D HA -0.175 4.464 4.640 -0.001 0.000 0.221 495 D C 1.566 177.898 176.300 0.053 0.000 0.974 495 D CA 1.141 55.268 54.000 0.212 0.000 0.923 495 D CB -0.392 40.505 40.800 0.162 0.000 0.892 495 D HN 0.419 nan 8.370 nan 0.000 0.518 496 E N -0.119 120.093 120.200 0.019 0.000 2.112 496 E HA -0.012 4.338 4.350 -0.001 0.000 0.190 496 E C 1.563 178.132 176.600 -0.052 0.000 0.979 496 E CA 0.464 56.857 56.400 -0.012 0.000 0.814 496 E CB -0.146 29.549 29.700 -0.008 0.000 0.762 496 E HN 0.252 nan 8.360 nan 0.000 0.460 497 L N 0.248 121.404 121.223 -0.111 0.000 2.109 497 L HA 0.132 4.471 4.340 -0.001 0.000 0.207 497 L C 2.228 179.009 176.870 -0.149 0.000 1.086 497 L CA 1.495 56.244 54.840 -0.152 0.000 0.760 497 L CB -0.989 40.925 42.059 -0.242 0.000 0.910 497 L HN 0.189 nan 8.230 nan 0.000 0.437 498 A N -0.902 121.821 122.820 -0.162 0.000 2.024 498 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 498 A C 2.304 179.859 177.584 -0.049 0.000 1.164 498 A CA 1.937 53.917 52.037 -0.095 0.000 0.643 498 A CB -0.455 18.534 19.000 -0.020 0.000 0.806 498 A HN 0.521 nan 8.150 nan 0.000 0.451 499 E N -0.322 119.853 120.200 -0.041 0.000 2.008 499 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 499 E C 1.716 178.297 176.600 -0.031 0.000 0.986 499 E CA 1.500 57.885 56.400 -0.025 0.000 0.807 499 E CB -0.160 29.530 29.700 -0.017 0.000 0.766 499 E HN 0.616 nan 8.360 nan 0.000 0.450 500 T N -0.737 113.793 114.554 -0.040 0.000 3.541 500 T HA -0.068 4.281 4.350 -0.001 0.000 0.255 500 T C 1.246 175.918 174.700 -0.046 0.000 1.158 500 T CA 0.679 62.755 62.100 -0.039 0.000 1.000 500 T CB 0.243 69.087 68.868 -0.040 0.000 1.008 500 T HN 0.236 nan 8.240 nan 0.000 0.568 501 Q N 0.242 120.012 119.800 -0.049 0.000 2.548 501 Q HA 0.222 4.561 4.340 -0.001 0.000 0.230 501 Q C 2.421 178.402 176.000 -0.033 0.000 0.899 501 Q CA 0.610 56.383 55.803 -0.050 0.000 0.936 501 Q CB -0.524 28.173 28.738 -0.069 0.000 1.114 501 Q HN 0.499 nan 8.270 nan 0.000 0.606 502 G N 1.459 110.244 108.800 -0.026 0.000 2.448 502 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.219 502 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.219 502 G C 1.367 176.259 174.900 -0.014 0.000 1.127 502 G CA 0.355 45.445 45.100 -0.015 0.000 0.766 502 G HN 0.093 nan 8.290 nan 0.000 0.552 503 K N -0.247 120.143 120.400 -0.017 0.000 2.569 503 K HA 0.215 4.534 4.320 -0.001 0.000 0.193 503 K C 1.232 177.823 176.600 -0.016 0.000 1.026 503 K CA 0.194 56.473 56.287 -0.014 0.000 1.093 503 K CB 0.312 32.802 32.500 -0.015 0.000 0.849 503 K HN 0.295 nan 8.250 nan 0.000 0.509 504 L N -0.843 120.369 121.223 -0.018 0.000 2.663 504 L HA 0.096 4.435 4.340 -0.001 0.000 0.218 504 L C 1.535 178.396 176.870 -0.015 0.000 1.043 504 L CA 0.755 55.583 54.840 -0.019 0.000 0.876 504 L CB 0.132 42.176 42.059 -0.024 0.000 1.263 504 L HN -0.031 nan 8.230 nan 0.000 0.486 505 E N -0.088 120.104 120.200 -0.013 0.000 2.208 505 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 505 E C 1.774 178.372 176.600 -0.003 0.000 0.988 505 E CA 1.030 57.425 56.400 -0.008 0.000 0.828 505 E CB 0.069 29.765 29.700 -0.007 0.000 0.763 505 E HN 0.444 nan 8.360 nan 0.000 0.478 506 E N 1.423 121.620 120.200 -0.004 0.000 2.072 506 E HA -0.208 4.141 4.350 -0.001 0.000 0.190 506 E C 2.011 178.611 176.600 -0.000 0.000 0.982 506 E CA 0.960 57.360 56.400 -0.001 0.000 0.803 506 E CB 0.101 29.799 29.700 -0.002 0.000 0.755 506 E HN 0.051 nan 8.360 nan 0.000 0.453 507 K N 0.149 120.546 120.400 -0.005 0.000 2.217 507 K HA -0.124 4.195 4.320 -0.001 0.000 0.202 507 K C 2.147 178.742 176.600 -0.009 0.000 1.051 507 K CA 0.584 56.866 56.287 -0.007 0.000 0.952 507 K CB 0.023 32.515 32.500 -0.013 0.000 0.736 507 K HN 0.111 nan 8.250 nan 0.000 0.453 508 L N 1.533 122.752 121.223 -0.008 0.000 1.971 508 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 508 L C 2.460 179.335 176.870 0.009 0.000 1.083 508 L CA 1.728 56.564 54.840 -0.006 0.000 0.753 508 L CB -0.912 41.143 42.059 -0.006 0.000 0.893 508 L HN 0.248 nan 8.230 nan 0.000 0.436 509 Q N -0.692 119.114 119.800 0.012 0.000 2.242 509 Q HA -0.311 4.028 4.340 -0.001 0.000 0.211 509 Q C 2.144 178.162 176.000 0.030 0.000 0.992 509 Q CA 2.243 58.058 55.803 0.020 0.000 0.889 509 Q CB -0.305 28.442 28.738 0.014 0.000 0.913 509 Q HN 0.638 nan 8.270 nan 0.000 0.422 510 E N -0.152 120.063 120.200 0.025 0.000 2.072 510 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 510 E C 1.846 178.481 176.600 0.059 0.000 0.985 510 E CA 0.920 57.340 56.400 0.033 0.000 0.801 510 E CB 0.044 29.757 29.700 0.022 0.000 0.750 510 E HN 0.357 nan 8.360 nan 0.000 0.452 511 L N 1.588 122.846 121.223 0.058 0.000 2.072 511 L HA -0.134 4.205 4.340 -0.001 0.000 0.205 511 L C 2.262 179.257 176.870 0.209 0.000 1.079 511 L CA 1.782 56.688 54.840 0.109 0.000 0.752 511 L CB -0.706 41.320 42.059 -0.055 0.000 0.906 511 L HN 0.209 nan 8.230 nan 0.000 0.436 512 E N -0.645 119.636 120.200 0.135 0.000 2.472 512 E HA -0.109 4.241 4.350 -0.001 0.000 0.200 512 E C 1.707 178.376 176.600 0.116 0.000 1.046 512 E CA 0.901 57.392 56.400 0.152 0.000 0.871 512 E CB -0.183 29.572 29.700 0.091 0.000 0.806 512 E HN 0.462 nan 8.360 nan 0.000 0.533 513 A N 1.443 124.320 122.820 0.096 0.000 2.035 513 A HA 0.089 4.408 4.320 -0.001 0.000 0.208 513 A C 0.836 178.450 177.584 0.050 0.000 1.206 513 A CA 0.025 52.098 52.037 0.061 0.000 0.773 513 A CB 0.194 19.220 19.000 0.044 0.000 0.878 513 A HN 0.044 nan 8.150 nan 0.000 0.469 514 N N 1.098 119.842 118.700 0.072 0.000 3.040 514 N HA 0.360 5.099 4.740 -0.001 0.000 0.305 514 N C -3.035 172.461 175.510 -0.022 0.000 1.611 514 N CA -1.144 51.928 53.050 0.036 0.000 1.049 514 N CB 0.533 39.050 38.487 0.050 0.000 1.342 514 N HN 0.264 nan 8.380 nan 0.000 0.497 515 P HA 0.330 nan 4.420 nan 0.000 0.277 515 P C -2.238 174.849 177.300 -0.354 0.000 1.240 515 P CA -0.948 61.901 63.100 -0.418 0.000 0.798 515 P CB 0.508 32.099 31.700 -0.182 0.000 0.979 516 P HA 0.206 nan 4.420 nan 0.000 0.279 516 P C -0.538 176.640 177.300 -0.202 0.000 1.282 516 P CA -0.478 62.454 63.100 -0.280 0.000 0.788 516 P CB 0.279 31.798 31.700 -0.301 0.000 1.139 517 S N 0.529 116.144 115.700 -0.142 0.000 2.575 517 S HA -0.076 4.393 4.470 -0.001 0.000 0.295 517 S C 1.026 175.564 174.600 -0.103 0.000 1.267 517 S CA 0.245 58.390 58.200 -0.093 0.000 1.074 517 S CB -0.159 63.012 63.200 -0.049 0.000 0.829 517 S HN 0.545 nan 8.310 nan 0.000 0.497 518 D N 2.318 122.678 120.400 -0.066 0.000 2.178 518 D HA -0.072 4.567 4.640 -0.001 0.000 0.202 518 D C 0.539 176.825 176.300 -0.024 0.000 0.974 518 D CA 1.027 55.002 54.000 -0.042 0.000 0.841 518 D CB 0.203 41.004 40.800 0.001 0.000 0.953 518 D HN 0.441 nan 8.370 nan 0.000 0.478 519 V N -3.470 116.441 119.914 -0.005 0.000 3.188 519 V HA 0.295 4.414 4.120 -0.001 0.000 0.305 519 V C 0.467 176.606 176.094 0.075 0.000 1.232 519 V CA -1.042 61.279 62.300 0.035 0.000 1.043 519 V CB 0.968 32.813 31.823 0.037 0.000 1.068 519 V HN -0.028 nan 8.190 nan 0.000 0.439 520 Y N 2.693 122.987 120.300 -0.011 0.000 2.114 520 Y HA 0.314 4.863 4.550 -0.002 0.000 0.284 520 Y C 0.433 176.339 175.900 0.011 0.000 1.143 520 Y CA 1.503 59.604 58.100 0.003 0.000 1.135 520 Y CB 0.116 38.589 38.460 0.021 0.000 0.980 520 Y HN 0.559 nan 8.280 nan 0.000 0.499 521 L N 0.236 121.353 121.223 -0.175 0.000 2.455 521 L HA 0.309 4.648 4.340 -0.001 0.000 0.264 521 L C 0.180 177.004 176.870 -0.077 0.000 0.968 521 L CA -0.803 53.889 54.840 -0.247 0.000 0.827 521 L CB 2.032 43.892 42.059 -0.332 0.000 1.317 521 L HN 0.062 nan 8.230 nan 0.000 0.407 522 S N 0.297 115.958 115.700 -0.066 0.000 2.634 522 S HA 0.052 4.521 4.470 -0.001 0.000 0.254 522 S C 1.271 175.867 174.600 -0.006 0.000 1.299 522 S CA 0.325 58.511 58.200 -0.024 0.000 0.974 522 S CB 1.155 64.340 63.200 -0.025 0.000 1.001 522 S HN 0.661 nan 8.310 nan 0.000 0.584 523 S N 0.102 115.807 115.700 0.008 0.000 2.355 523 S HA -0.071 4.398 4.470 -0.001 0.000 0.222 523 S C 2.081 176.691 174.600 0.016 0.000 1.031 523 S CA 1.013 59.225 58.200 0.020 0.000 0.993 523 S CB -0.550 62.663 63.200 0.023 0.000 0.859 523 S HN 0.688 nan 8.310 nan 0.000 0.453 524 R N 0.476 120.978 120.500 0.005 0.000 2.115 524 R HA 0.010 4.349 4.340 -0.001 0.000 0.226 524 R C 1.912 178.207 176.300 -0.009 0.000 1.100 524 R CA 1.359 57.459 56.100 0.000 0.000 0.980 524 R CB -0.232 30.064 30.300 -0.007 0.000 0.875 524 R HN 0.442 nan 8.270 nan 0.000 0.445 525 D N 0.211 120.596 120.400 -0.024 0.000 2.117 525 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 525 D C 1.880 178.164 176.300 -0.027 0.000 0.987 525 D CA 1.130 55.103 54.000 -0.045 0.000 0.829 525 D CB -0.024 40.724 40.800 -0.087 0.000 0.961 525 D HN 0.029 nan 8.370 nan 0.000 0.460 526 R N 1.212 121.709 120.500 -0.004 0.000 2.096 526 R HA -0.101 4.238 4.340 -0.001 0.000 0.235 526 R C 2.114 178.454 176.300 0.066 0.000 1.127 526 R CA 1.338 57.462 56.100 0.040 0.000 0.968 526 R CB -0.287 30.052 30.300 0.065 0.000 0.861 526 R HN 0.209 nan 8.270 nan 0.000 0.440 527 Q N -0.175 119.656 119.800 0.051 0.000 2.084 527 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 527 Q C 2.116 178.162 176.000 0.077 0.000 0.978 527 Q CA 1.853 57.694 55.803 0.062 0.000 0.844 527 Q CB -0.142 28.620 28.738 0.041 0.000 0.898 527 Q HN 0.433 nan 8.270 nan 0.000 0.426 528 I N 0.267 120.869 120.570 0.053 0.000 2.252 528 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 528 I C 2.265 178.469 176.117 0.145 0.000 1.102 528 I CA 0.526 61.868 61.300 0.069 0.000 1.385 528 I CB -0.270 37.739 38.000 0.016 0.000 1.064 528 I HN 0.207 nan 8.210 nan 0.000 0.414 529 L N 1.074 122.340 121.223 0.071 0.000 2.042 529 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 529 L C 2.015 178.799 176.870 -0.144 0.000 1.076 529 L CA 2.001 56.813 54.840 -0.047 0.000 0.749 529 L CB -0.862 41.140 42.059 -0.095 0.000 0.893 529 L HN 0.198 nan 8.230 nan 0.000 0.432 530 D N -1.482 118.964 120.400 0.076 0.000 2.221 530 D HA -0.266 4.373 4.640 -0.001 0.000 0.204 530 D C 1.775 178.124 176.300 0.080 0.000 0.982 530 D CA 1.377 55.495 54.000 0.198 0.000 0.857 530 D CB -0.243 40.663 40.800 0.176 0.000 0.934 530 D HN 0.615 nan 8.370 nan 0.000 0.475 531 W N 1.332 122.565 121.300 -0.111 0.000 2.379 531 W HA -0.176 4.483 4.660 -0.001 0.000 0.307 531 W C 2.445 178.790 176.519 -0.289 0.000 1.200 531 W CA 1.387 58.633 57.345 -0.166 0.000 1.297 531 W CB -0.347 29.000 29.460 -0.189 0.000 1.140 531 W HN 0.068 nan 8.180 nan 0.000 0.507 532 H N -0.825 118.220 119.070 -0.042 0.000 2.387 532 H HA -0.173 4.382 4.556 -0.001 0.000 0.299 532 H C 2.071 176.954 175.328 -0.740 0.000 1.099 532 H CA 2.077 57.782 56.048 -0.571 0.000 1.315 532 H CB -0.848 28.273 29.762 -1.068 0.000 1.380 532 H HN 0.167 nan 8.280 nan 0.000 0.513 533 F N 0.794 120.587 119.950 -0.263 0.000 2.113 533 F HA -0.096 4.430 4.527 -0.001 0.000 0.297 533 F C 2.848 178.477 175.800 -0.286 0.000 1.103 533 F CA 0.845 58.770 58.000 -0.125 0.000 1.248 533 F CB -1.054 37.934 39.000 -0.021 0.000 0.999 533 F HN 0.104 nan 8.300 nan 0.000 0.475 534 A N 0.020 122.696 122.820 -0.240 0.000 1.908 534 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 534 A C 2.055 179.158 177.584 -0.802 0.000 1.181 534 A CA 2.067 53.749 52.037 -0.592 0.000 0.627 534 A CB -1.230 17.271 19.000 -0.832 0.000 0.818 534 A HN 0.441 nan 8.150 nan 0.000 0.445 535 N N -0.336 117.888 118.700 -0.794 0.000 2.205 535 N HA -0.108 4.632 4.740 -0.001 0.000 0.186 535 N C 1.534 177.018 175.510 -0.044 0.000 1.015 535 N CA 1.424 54.239 53.050 -0.392 0.000 0.862 535 N CB -0.289 37.799 38.487 -0.664 0.000 0.986 535 N HN 0.511 nan 8.380 nan 0.000 0.429 536 L N 0.337 121.506 121.223 -0.089 0.000 2.095 536 L HA 0.002 4.341 4.340 -0.001 0.000 0.204 536 L C 1.395 178.244 176.870 -0.034 0.000 1.080 536 L CA 1.041 55.900 54.840 0.031 0.000 0.759 536 L CB -0.274 41.868 42.059 0.139 0.000 0.914 536 L HN 0.306 nan 8.230 nan 0.000 0.439 537 E N -0.551 119.582 120.200 -0.112 0.000 2.510 537 E HA -0.226 4.123 4.350 -0.001 0.000 0.202 537 E C 1.508 178.076 176.600 -0.054 0.000 1.072 537 E CA 0.721 57.033 56.400 -0.147 0.000 0.883 537 E CB 0.018 29.591 29.700 -0.211 0.000 0.818 537 E HN 0.474 nan 8.360 nan 0.000 0.548 538 F N 1.298 121.175 119.950 -0.122 0.000 2.222 538 F HA 0.249 4.775 4.527 -0.002 0.000 0.285 538 F C 2.225 178.106 175.800 0.134 0.000 1.068 538 F CA 0.909 58.928 58.000 0.032 0.000 1.265 538 F CB -0.808 38.322 39.000 0.217 0.000 1.087 538 F HN -0.091 nan 8.300 nan 0.000 0.511 539 A N 0.718 123.328 122.820 -0.351 0.000 2.032 539 A HA -0.208 4.112 4.320 -0.001 0.000 0.221 539 A C 1.812 179.392 177.584 -0.008 0.000 1.165 539 A CA 2.025 53.850 52.037 -0.353 0.000 0.645 539 A CB -0.895 18.039 19.000 -0.110 0.000 0.807 539 A HN 0.611 nan 8.150 nan 0.000 0.453 540 N N -1.356 117.355 118.700 0.019 0.000 2.254 540 N HA 0.244 4.983 4.740 -0.001 0.000 0.190 540 N C 0.711 176.162 175.510 -0.099 0.000 1.107 540 N CA 0.850 53.936 53.050 0.060 0.000 0.869 540 N CB 0.363 38.857 38.487 0.013 0.000 0.983 540 N HN 0.575 nan 8.380 nan 0.000 0.487 541 A N 0.545 123.265 122.820 -0.167 0.000 2.783 541 A HA -0.175 4.144 4.320 -0.001 0.000 0.292 541 A C 0.411 177.760 177.584 -0.392 0.000 1.495 541 A CA 1.639 53.450 52.037 -0.376 0.000 0.787 541 A CB -2.025 16.308 19.000 -1.111 0.000 1.017 541 A HN 0.331 nan 8.150 nan 0.000 0.516 542 T N -2.178 112.154 114.554 -0.369 0.000 2.733 542 T HA 0.569 4.918 4.350 -0.001 0.000 0.312 542 T C -3.361 171.131 174.700 -0.348 0.000 1.590 542 T CA -0.666 61.159 62.100 -0.458 0.000 1.005 542 T CB 1.507 69.756 68.868 -1.031 0.000 1.528 542 T HN -0.010 nan 8.240 nan 0.000 0.496 543 P HA 0.262 nan 4.420 nan 0.000 0.276 543 P C 0.676 177.825 177.300 -0.252 0.000 1.235 543 P CA -0.392 62.574 63.100 -0.225 0.000 0.772 543 P CB 0.454 32.057 31.700 -0.163 0.000 0.871 544 L N 3.157 124.230 121.223 -0.251 0.000 2.137 544 L HA -0.255 4.084 4.340 -0.001 0.000 0.213 544 L C 2.149 178.878 176.870 -0.236 0.000 1.085 544 L CA 2.320 56.992 54.840 -0.281 0.000 0.760 544 L CB -1.655 40.207 42.059 -0.328 0.000 0.893 544 L HN 0.407 nan 8.230 nan 0.000 0.434 545 S N -2.575 113.010 115.700 -0.191 0.000 2.507 545 S HA -0.118 4.351 4.470 -0.001 0.000 0.235 545 S C 1.720 176.269 174.600 -0.085 0.000 0.988 545 S CA 1.085 59.204 58.200 -0.135 0.000 0.944 545 S CB -0.792 62.342 63.200 -0.111 0.000 0.762 545 S HN 0.622 nan 8.310 nan 0.000 0.526 546 T N -1.058 113.442 114.554 -0.090 0.000 3.022 546 T HA 0.403 4.752 4.350 -0.001 0.000 0.250 546 T C 0.472 175.226 174.700 0.089 0.000 1.060 546 T CA -0.459 61.644 62.100 0.005 0.000 1.013 546 T CB -0.423 68.450 68.868 0.008 0.000 0.982 546 T HN 0.283 nan 8.240 nan 0.000 0.508 547 L N 2.527 123.742 121.223 -0.014 0.000 2.417 547 L HA 0.363 4.702 4.340 -0.001 0.000 0.268 547 L C 0.811 177.763 176.870 0.137 0.000 1.158 547 L CA -0.573 54.323 54.840 0.093 0.000 0.819 547 L CB 0.977 43.009 42.059 -0.046 0.000 1.112 547 L HN 0.168 nan 8.230 nan 0.000 0.458 548 S N 1.886 117.742 115.700 0.261 0.000 2.510 548 S HA 0.058 4.527 4.470 -0.001 0.000 0.279 548 S C 0.861 175.609 174.600 0.246 0.000 1.284 548 S CA -0.694 57.637 58.200 0.217 0.000 1.059 548 S CB 0.604 63.972 63.200 0.281 0.000 0.901 548 S HN 0.526 nan 8.310 nan 0.000 0.491 549 L N 6.088 127.371 121.223 0.101 0.000 2.017 549 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 549 L C 2.317 179.281 176.870 0.156 0.000 1.073 549 L CA 2.092 56.997 54.840 0.108 0.000 0.745 549 L CB -0.774 41.240 42.059 -0.075 0.000 0.894 549 L HN 0.848 nan 8.230 nan 0.000 0.432 550 K N -1.844 118.520 120.400 -0.059 0.000 2.057 550 K HA -0.143 4.176 4.320 -0.001 0.000 0.206 550 K C 1.586 178.059 176.600 -0.212 0.000 1.050 550 K CA 1.557 57.714 56.287 -0.218 0.000 0.935 550 K CB -0.104 32.105 32.500 -0.486 0.000 0.715 550 K HN 0.561 nan 8.250 nan 0.000 0.439 551 H N -0.932 118.232 119.070 0.157 0.000 2.652 551 H HA -0.006 4.549 4.556 -0.001 0.000 0.274 551 H C 1.385 176.738 175.328 0.041 0.000 1.021 551 H CA 0.268 56.357 56.048 0.069 0.000 1.187 551 H CB -0.107 29.703 29.762 0.079 0.000 1.505 551 H HN 0.480 nan 8.280 nan 0.000 0.530 552 W N 3.142 124.543 121.300 0.169 0.000 2.321 552 W HA -0.167 4.492 4.660 -0.002 0.000 0.285 552 W C -0.389 176.203 176.519 0.121 0.000 1.213 552 W CA 1.308 58.743 57.345 0.150 0.000 1.205 552 W CB -0.499 29.023 29.460 0.104 0.000 1.134 552 W HN 0.165 nan 8.180 nan 0.000 0.549 553 D N 0.306 120.219 120.400 -0.812 0.000 2.670 553 D HA -0.064 4.575 4.640 -0.001 0.000 0.255 553 D C 1.862 177.926 176.300 -0.393 0.000 1.286 553 D CA -0.151 53.374 54.000 -0.792 0.000 0.830 553 D CB -0.530 39.389 40.800 -1.469 0.000 1.065 553 D HN 0.104 nan 8.370 nan 0.000 0.486 554 Q N 1.945 121.622 119.800 -0.205 0.000 2.268 554 Q HA -0.212 4.128 4.340 -0.001 0.000 0.210 554 Q C 0.395 176.338 176.000 -0.095 0.000 0.988 554 Q CA 1.848 57.590 55.803 -0.102 0.000 0.883 554 Q CB -0.049 28.669 28.738 -0.034 0.000 0.911 554 Q HN 0.533 nan 8.270 nan 0.000 0.430 555 D N -1.707 118.623 120.400 -0.116 0.000 2.369 555 D HA -0.032 4.607 4.640 -0.001 0.000 0.211 555 D C 0.954 177.259 176.300 0.009 0.000 1.077 555 D CA 0.235 54.229 54.000 -0.010 0.000 0.842 555 D CB -0.280 40.421 40.800 -0.165 0.000 0.947 555 D HN 0.156 nan 8.370 nan 0.000 0.509 556 D N 1.524 121.859 120.400 -0.108 0.000 2.170 556 D HA -0.274 4.366 4.640 -0.001 0.000 0.193 556 D C 1.339 177.561 176.300 -0.130 0.000 1.004 556 D CA 1.725 55.652 54.000 -0.121 0.000 0.860 556 D CB -0.126 40.570 40.800 -0.172 0.000 0.931 556 D HN 0.061 nan 8.370 nan 0.000 0.448 557 D N -1.975 118.299 120.400 -0.209 0.000 2.389 557 D HA -0.146 4.493 4.640 -0.001 0.000 0.221 557 D C 0.690 176.628 176.300 -0.604 0.000 0.974 557 D CA 0.665 54.421 54.000 -0.407 0.000 0.923 557 D CB -0.091 40.374 40.800 -0.558 0.000 0.892 557 D HN 0.323 nan 8.370 nan 0.000 0.518 558 F N 0.321 120.159 119.950 -0.186 0.000 2.653 558 F HA 0.293 4.820 4.527 -0.001 0.000 0.304 558 F C 0.835 176.504 175.800 -0.219 0.000 1.092 558 F CA -0.460 57.401 58.000 -0.231 0.000 1.279 558 F CB 0.006 38.687 39.000 -0.533 0.000 1.044 558 F HN -0.255 nan 8.300 nan 0.000 0.564 559 E N 0.740 120.905 120.200 -0.059 0.000 2.436 559 E HA 0.026 4.375 4.350 -0.001 0.000 0.262 559 E C -0.605 176.003 176.600 0.013 0.000 1.063 559 E CA 0.078 56.416 56.400 -0.104 0.000 0.944 559 E CB 0.527 30.234 29.700 0.013 0.000 0.950 559 E HN -0.035 nan 8.360 nan 0.000 0.444 560 F N 0.504 120.546 119.950 0.153 0.000 2.371 560 F HA 0.145 4.671 4.527 -0.002 0.000 0.329 560 F C 1.133 177.028 175.800 0.158 0.000 1.107 560 F CA -1.062 57.005 58.000 0.111 0.000 1.137 560 F CB 0.679 39.690 39.000 0.018 0.000 1.214 560 F HN 0.218 nan 8.300 nan 0.000 0.536 561 T N -0.414 114.385 114.554 0.409 0.000 2.817 561 T HA 0.736 5.085 4.350 -0.001 0.000 0.293 561 T C 0.010 174.860 174.700 0.250 0.000 0.964 561 T CA -0.063 62.221 62.100 0.307 0.000 1.085 561 T CB 0.913 69.977 68.868 0.326 0.000 0.921 561 T HN 1.275 nan 8.240 nan 0.000 0.502 562 G N 1.815 110.734 108.800 0.198 0.000 2.339 562 G HA2 0.320 4.279 3.960 -0.001 0.000 0.381 562 G HA3 0.320 4.279 3.960 -0.001 0.000 0.381 562 G C -0.729 174.276 174.900 0.175 0.000 1.400 562 G CA -0.826 44.374 45.100 0.166 0.000 1.002 562 G HN 0.923 nan 8.290 nan 0.000 0.633 563 S N 0.122 115.906 115.700 0.140 0.000 2.580 563 S HA 0.437 4.906 4.470 -0.001 0.000 0.274 563 S C 0.302 175.048 174.600 0.244 0.000 1.329 563 S CA -0.371 57.908 58.200 0.132 0.000 1.036 563 S CB 0.530 63.789 63.200 0.097 0.000 0.919 563 S HN 0.575 nan 8.310 nan 0.000 0.515 564 H N 0.766 119.911 119.070 0.124 0.000 2.652 564 H HA 0.360 4.915 4.556 -0.001 0.000 0.349 564 H C -0.527 174.873 175.328 0.121 0.000 1.099 564 H CA -0.547 55.584 56.048 0.138 0.000 1.417 564 H CB 0.408 30.273 29.762 0.171 0.000 1.457 564 H HN 0.275 nan 8.280 nan 0.000 0.568 565 L N 1.208 122.555 121.223 0.208 0.000 2.279 565 L HA 0.446 4.785 4.340 -0.001 0.000 0.262 565 L C 0.311 177.240 176.870 0.098 0.000 1.019 565 L CA -0.656 54.261 54.840 0.129 0.000 0.823 565 L CB 2.041 44.141 42.059 0.068 0.000 1.358 565 L HN 0.486 nan 8.230 nan 0.000 0.432 566 T N -0.258 114.337 114.554 0.068 0.000 2.887 566 T HA 0.530 4.879 4.350 -0.001 0.000 0.288 566 T C -0.845 173.846 174.700 -0.014 0.000 1.021 566 T CA -0.429 61.693 62.100 0.037 0.000 1.000 566 T CB 1.616 70.528 68.868 0.073 0.000 1.034 566 T HN 0.276 nan 8.240 nan 0.000 0.467 567 V N 5.434 125.324 119.914 -0.039 0.000 2.287 567 V HA 0.192 4.311 4.120 -0.001 0.000 0.246 567 V C 1.693 177.861 176.094 0.124 0.000 1.165 567 V CA -0.288 61.996 62.300 -0.027 0.000 1.088 567 V CB -0.031 31.724 31.823 -0.114 0.000 1.242 567 V HN 0.737 nan 8.190 nan 0.000 0.497 568 R N 4.692 125.253 120.500 0.102 0.000 2.139 568 R HA -0.174 4.165 4.340 -0.001 0.000 0.243 568 R C 1.573 178.030 176.300 0.262 0.000 1.145 568 R CA 2.293 58.496 56.100 0.171 0.000 0.976 568 R CB -0.057 30.305 30.300 0.103 0.000 0.866 568 R HN 0.843 nan 8.270 nan 0.000 0.449 569 N N -0.900 117.903 118.700 0.172 0.000 2.238 569 N HA 0.138 4.878 4.740 -0.001 0.000 0.222 569 N C -0.480 175.105 175.510 0.125 0.000 1.133 569 N CA 0.556 53.688 53.050 0.137 0.000 0.854 569 N CB 0.701 39.237 38.487 0.082 0.000 1.041 569 N HN 0.262 nan 8.380 nan 0.000 0.510 570 G N 1.016 109.924 108.800 0.180 0.000 3.436 570 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.685 570 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.685 570 G C -0.157 174.868 174.900 0.208 0.000 1.039 570 G CA -0.390 44.812 45.100 0.170 0.000 0.879 570 G HN 0.385 nan 8.290 nan 0.000 0.478 571 Y N 1.480 121.840 120.300 0.099 0.000 2.538 571 Y HA -0.224 4.325 4.550 -0.001 0.000 0.287 571 Y C 2.806 178.743 175.900 0.061 0.000 1.157 571 Y CA 1.680 59.826 58.100 0.077 0.000 1.338 571 Y CB 0.232 38.736 38.460 0.074 0.000 0.970 571 Y HN 0.942 nan 8.280 nan 0.000 0.564 572 S N -0.961 114.875 115.700 0.225 0.000 2.474 572 S HA -0.209 4.260 4.470 -0.001 0.000 0.235 572 S C 1.962 176.628 174.600 0.110 0.000 0.997 572 S CA 0.790 59.065 58.200 0.125 0.000 0.949 572 S CB -1.469 61.781 63.200 0.084 0.000 0.766 572 S HN 0.650 nan 8.310 nan 0.000 0.517 573 C N 0.344 119.720 119.300 0.127 0.000 2.410 573 C HA 0.047 4.506 4.460 -0.001 0.000 0.281 573 C C 2.276 177.321 174.990 0.091 0.000 1.318 573 C CA 0.154 59.225 59.018 0.089 0.000 1.776 573 C CB -1.904 25.882 27.740 0.077 0.000 1.942 573 C HN 0.413 nan 8.230 nan 0.000 0.508 574 V N 3.272 123.274 119.914 0.145 0.000 2.221 574 V HA -0.098 4.021 4.120 -0.001 0.000 0.240 574 V C 0.731 176.868 176.094 0.071 0.000 1.041 574 V CA 2.740 65.121 62.300 0.134 0.000 0.991 574 V CB -1.653 30.310 31.823 0.233 0.000 0.634 574 V HN 0.312 nan 8.190 nan 0.000 0.450 575 P HA -0.151 nan 4.420 nan 0.000 0.216 575 P C 1.855 179.160 177.300 0.008 0.000 1.153 575 P CA 1.823 64.930 63.100 0.012 0.000 0.858 575 P CB -0.190 31.506 31.700 -0.007 0.000 0.789 576 V N 1.455 121.378 119.914 0.015 0.000 2.219 576 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 576 V C 2.955 179.047 176.094 -0.003 0.000 1.053 576 V CA 2.824 65.126 62.300 0.004 0.000 1.009 576 V CB -1.900 29.930 31.823 0.010 0.000 0.636 576 V HN 0.146 nan 8.190 nan 0.000 0.445 577 A N -0.569 122.255 122.820 0.007 0.000 1.940 577 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 577 A C 2.184 179.761 177.584 -0.013 0.000 1.176 577 A CA 2.012 54.048 52.037 -0.002 0.000 0.631 577 A CB -0.633 18.373 19.000 0.010 0.000 0.814 577 A HN 0.549 nan 8.150 nan 0.000 0.446 578 L N -1.191 120.030 121.223 -0.003 0.000 2.291 578 L HA -0.104 4.235 4.340 -0.001 0.000 0.214 578 L C 2.792 179.640 176.870 -0.036 0.000 1.120 578 L CA 0.703 55.535 54.840 -0.013 0.000 0.799 578 L CB -0.297 41.766 42.059 0.006 0.000 0.925 578 L HN 0.445 nan 8.230 nan 0.000 0.446 579 A N -0.697 122.101 122.820 -0.036 0.000 2.123 579 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 579 A C 1.140 178.691 177.584 -0.055 0.000 1.152 579 A CA -0.128 51.880 52.037 -0.049 0.000 0.728 579 A CB -0.296 18.677 19.000 -0.044 0.000 0.814 579 A HN 0.389 nan 8.150 nan 0.000 0.464 580 E N 0.060 120.230 120.200 -0.051 0.000 2.729 580 E HA 0.209 4.559 4.350 -0.001 0.000 0.246 580 E C 1.142 177.703 176.600 -0.065 0.000 0.984 580 E CA 0.659 57.027 56.400 -0.054 0.000 0.951 580 E CB -0.288 29.381 29.700 -0.051 0.000 0.914 580 E HN 0.740 nan 8.360 nan 0.000 0.509 581 G N 3.751 112.515 108.800 -0.060 0.000 2.179 581 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.260 581 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.260 581 G C 0.179 175.038 174.900 -0.068 0.000 0.977 581 G CA 0.298 45.360 45.100 -0.063 0.000 0.641 581 G HN 0.482 nan 8.290 nan 0.000 0.533 582 L N 0.381 121.561 121.223 -0.073 0.000 2.399 582 L HA 0.544 4.883 4.340 -0.001 0.000 0.265 582 L C 0.170 176.992 176.870 -0.079 0.000 1.089 582 L CA -0.775 54.017 54.840 -0.080 0.000 0.802 582 L CB 1.095 43.102 42.059 -0.087 0.000 1.180 582 L HN 0.107 nan 8.230 nan 0.000 0.454 583 D N 2.345 122.693 120.400 -0.086 0.000 2.468 583 D HA 0.368 5.007 4.640 -0.001 0.000 0.218 583 D C -0.708 175.522 176.300 -0.116 0.000 1.155 583 D CA -0.101 53.845 54.000 -0.089 0.000 0.924 583 D CB 0.133 40.884 40.800 -0.081 0.000 1.029 583 D HN 0.204 nan 8.370 nan 0.000 0.515 584 I N 3.249 123.752 120.570 -0.112 0.000 2.362 584 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 584 I C 0.380 176.410 176.117 -0.145 0.000 0.994 584 I CA -0.847 60.373 61.300 -0.133 0.000 1.158 584 I CB 1.672 39.605 38.000 -0.111 0.000 1.315 584 I HN 0.019 nan 8.210 nan 0.000 0.451 585 K N 7.482 127.766 120.400 -0.193 0.000 2.319 585 K HA 0.441 4.760 4.320 -0.001 0.000 0.237 585 K C -0.353 176.124 176.600 -0.204 0.000 1.113 585 K CA -0.433 55.729 56.287 -0.208 0.000 1.072 585 K CB 0.456 32.788 32.500 -0.281 0.000 1.734 585 K HN 0.523 nan 8.250 nan 0.000 0.429 586 L N 1.186 122.315 121.223 -0.157 0.000 2.473 586 L HA -0.090 4.249 4.340 -0.001 0.000 0.280 586 L C 0.553 177.335 176.870 -0.148 0.000 1.266 586 L CA 0.367 55.118 54.840 -0.149 0.000 0.824 586 L CB -0.218 41.776 42.059 -0.107 0.000 1.091 586 L HN 0.739 nan 8.230 nan 0.000 0.534 587 N N -1.053 117.554 118.700 -0.156 0.000 2.727 587 N HA -0.162 4.577 4.740 -0.001 0.000 0.249 587 N C -0.893 174.555 175.510 -0.103 0.000 1.048 587 N CA 0.534 53.513 53.050 -0.119 0.000 0.714 587 N CB -0.994 37.465 38.487 -0.047 0.000 0.959 587 N HN 0.632 nan 8.380 nan 0.000 0.544 588 T N 0.095 114.542 114.554 -0.178 0.000 3.133 588 T HA 0.510 4.859 4.350 -0.001 0.000 0.368 588 T C -0.003 174.597 174.700 -0.168 0.000 1.190 588 T CA -0.392 61.633 62.100 -0.126 0.000 1.282 588 T CB 1.054 69.795 68.868 -0.212 0.000 1.042 588 T HN 0.365 nan 8.240 nan 0.000 0.536 589 A N 3.053 125.793 122.820 -0.133 0.000 2.396 589 A HA 0.580 4.899 4.320 -0.001 0.000 0.279 589 A C 0.514 178.094 177.584 -0.006 0.000 1.165 589 A CA -0.359 51.582 52.037 -0.159 0.000 0.824 589 A CB 0.066 19.029 19.000 -0.061 0.000 1.100 589 A HN 0.632 nan 8.150 nan 0.000 0.516 590 V N 3.872 123.766 119.914 -0.033 0.000 2.555 590 V HA 0.159 4.278 4.120 -0.001 0.000 0.286 590 V C 1.253 177.353 176.094 0.011 0.000 1.044 590 V CA 0.402 62.699 62.300 -0.004 0.000 1.026 590 V CB 0.966 32.758 31.823 -0.052 0.000 0.981 590 V HN 1.026 nan 8.190 nan 0.000 0.480 591 R N 1.746 122.251 120.500 0.009 0.000 2.419 591 R HA 0.277 4.616 4.340 -0.001 0.000 0.235 591 R C 0.301 176.560 176.300 -0.068 0.000 0.899 591 R CA 0.186 56.282 56.100 -0.007 0.000 1.048 591 R CB 0.529 30.845 30.300 0.026 0.000 1.182 591 R HN 0.810 nan 8.270 nan 0.000 0.544 592 Q N -0.100 119.648 119.800 -0.087 0.000 2.352 592 Q HA 0.357 4.696 4.340 -0.001 0.000 0.270 592 Q C -1.814 174.114 176.000 -0.121 0.000 1.006 592 Q CA -0.598 55.130 55.803 -0.125 0.000 0.880 592 Q CB 2.196 30.904 28.738 -0.050 0.000 1.392 592 Q HN -0.058 nan 8.270 nan 0.000 0.401 593 V N 4.268 124.069 119.914 -0.188 0.000 2.376 593 V HA 0.530 4.649 4.120 -0.001 0.000 0.287 593 V C -0.616 175.575 176.094 0.161 0.000 1.015 593 V CA -0.601 61.667 62.300 -0.053 0.000 0.834 593 V CB 1.432 33.163 31.823 -0.153 0.000 1.001 593 V HN 0.688 nan 8.190 nan 0.000 0.428 594 R N 4.508 125.107 120.500 0.166 0.000 2.407 594 R HA 0.693 5.032 4.340 -0.001 0.000 0.303 594 R C -1.352 175.116 176.300 0.280 0.000 0.981 594 R CA -0.648 55.561 56.100 0.182 0.000 0.905 594 R CB 1.501 31.844 30.300 0.071 0.000 1.099 594 R HN 0.774 nan 8.270 nan 0.000 0.459 595 Y N -1.455 118.887 120.300 0.070 0.000 2.332 595 Y HA 0.467 5.016 4.550 -0.001 0.000 0.325 595 Y C -0.782 175.153 175.900 0.059 0.000 1.054 595 Y CA -1.297 56.844 58.100 0.067 0.000 1.119 595 Y CB 1.002 39.505 38.460 0.072 0.000 1.168 595 Y HN 0.625 nan 8.280 nan 0.000 0.439 596 T N -1.033 113.544 114.554 0.038 0.000 2.940 596 T HA 0.698 5.047 4.350 -0.001 0.000 0.288 596 T C 1.044 175.780 174.700 0.060 0.000 1.045 596 T CA -0.546 61.545 62.100 -0.014 0.000 1.018 596 T CB 1.745 70.608 68.868 -0.009 0.000 1.151 596 T HN 1.033 nan 8.240 nan 0.000 0.529 597 A N 0.763 123.606 122.820 0.038 0.000 2.234 597 A HA 0.089 4.408 4.320 -0.001 0.000 0.216 597 A C 1.747 179.372 177.584 0.069 0.000 1.167 597 A CA 1.295 53.367 52.037 0.058 0.000 0.698 597 A CB -1.075 17.946 19.000 0.035 0.000 0.779 597 A HN 1.245 nan 8.150 nan 0.000 0.475 598 S N -2.833 112.909 115.700 0.070 0.000 2.952 598 S HA 0.553 5.022 4.470 -0.001 0.000 0.251 598 S C 0.382 175.039 174.600 0.094 0.000 1.021 598 S CA 0.285 58.531 58.200 0.076 0.000 1.067 598 S CB -0.082 63.149 63.200 0.052 0.000 1.002 598 S HN 1.774 nan 8.310 nan 0.000 0.574 599 G N -0.115 108.756 108.800 0.118 0.000 2.361 599 G HA2 0.350 4.309 3.960 -0.001 0.000 0.305 599 G HA3 0.350 4.309 3.960 -0.001 0.000 0.305 599 G C -1.330 173.648 174.900 0.129 0.000 1.367 599 G CA -0.336 44.838 45.100 0.124 0.000 0.951 599 G HN 0.530 nan 8.290 nan 0.000 0.615 600 C N -0.400 118.971 119.300 0.118 0.000 2.802 600 C HA 0.880 5.339 4.460 -0.001 0.000 0.307 600 C C -0.309 174.740 174.990 0.098 0.000 1.222 600 C CA -0.702 58.393 59.018 0.128 0.000 1.580 600 C CB 1.845 29.667 27.740 0.136 0.000 2.119 600 C HN 0.774 nan 8.230 nan 0.000 0.479 601 E N 0.830 121.091 120.200 0.102 0.000 2.246 601 E HA 0.511 4.860 4.350 -0.001 0.000 0.266 601 E C -1.585 175.069 176.600 0.090 0.000 0.880 601 E CA -0.348 56.105 56.400 0.088 0.000 0.762 601 E CB 2.237 31.977 29.700 0.066 0.000 1.180 601 E HN 0.415 nan 8.360 nan 0.000 0.416 602 V N 4.560 124.540 119.914 0.110 0.000 2.334 602 V HA 0.318 4.437 4.120 -0.001 0.000 0.281 602 V C -0.420 175.764 176.094 0.151 0.000 1.016 602 V CA -0.704 61.654 62.300 0.096 0.000 0.832 602 V CB 0.756 32.616 31.823 0.062 0.000 0.999 602 V HN 0.545 nan 8.190 nan 0.000 0.439 603 I N 4.864 125.490 120.570 0.093 0.000 2.315 603 I HA 0.706 4.875 4.170 -0.001 0.000 0.291 603 I C 0.588 176.779 176.117 0.123 0.000 1.006 603 I CA 0.503 61.869 61.300 0.109 0.000 1.265 603 I CB 1.332 39.360 38.000 0.048 0.000 1.387 603 I HN 0.717 nan 8.210 nan 0.000 0.475 604 A N 5.709 128.665 122.820 0.227 0.000 2.414 604 A HA 1.009 5.328 4.320 -0.001 0.000 0.278 604 A C -0.734 177.016 177.584 0.276 0.000 1.228 604 A CA -0.473 51.706 52.037 0.236 0.000 0.857 604 A CB 1.817 20.985 19.000 0.279 0.000 1.389 604 A HN 0.833 nan 8.150 nan 0.000 0.452 605 V N -1.818 118.267 119.914 0.284 0.000 3.178 605 V HA 0.557 4.676 4.120 -0.001 0.000 0.302 605 V C -0.770 175.512 176.094 0.312 0.000 1.262 605 V CA -1.113 61.309 62.300 0.204 0.000 1.030 605 V CB 1.769 33.641 31.823 0.082 0.000 1.074 605 V HN 0.894 nan 8.190 nan 0.000 0.438 606 N N 1.937 120.811 118.700 0.290 0.000 2.497 606 N HA 0.138 4.877 4.740 -0.001 0.000 0.268 606 N C 1.220 176.817 175.510 0.144 0.000 1.171 606 N CA 0.700 53.920 53.050 0.284 0.000 0.948 606 N CB 1.938 40.568 38.487 0.239 0.000 1.069 606 N HN 1.126 nan 8.380 nan 0.000 0.460 607 T N 1.113 115.731 114.554 0.108 0.000 3.160 607 T HA 0.121 4.470 4.350 -0.001 0.000 0.257 607 T C 1.188 175.947 174.700 0.098 0.000 1.147 607 T CA 0.539 62.704 62.100 0.109 0.000 1.064 607 T CB 0.178 69.094 68.868 0.081 0.000 0.949 607 T HN 0.386 nan 8.240 nan 0.000 0.526 608 R N 0.374 120.923 120.500 0.082 0.000 2.335 608 R HA 0.352 4.691 4.340 -0.001 0.000 0.210 608 R C 0.152 176.484 176.300 0.053 0.000 0.892 608 R CA 0.074 56.212 56.100 0.064 0.000 1.048 608 R CB 0.611 30.944 30.300 0.054 0.000 1.067 608 R HN 0.292 nan 8.270 nan 0.000 0.524 609 S N 0.326 116.059 115.700 0.055 0.000 2.708 609 S HA 0.021 4.490 4.470 -0.001 0.000 0.141 609 S C 0.604 175.213 174.600 0.016 0.000 1.349 609 S CA -0.293 57.925 58.200 0.030 0.000 1.206 609 S CB 1.070 64.283 63.200 0.021 0.000 1.603 609 S HN 0.284 nan 8.310 nan 0.000 0.415 610 T N -0.570 114.000 114.554 0.027 0.000 3.052 610 T HA -0.193 4.156 4.350 -0.001 0.000 0.270 610 T C 1.958 176.647 174.700 -0.019 0.000 1.181 610 T CA 1.628 63.739 62.100 0.019 0.000 1.079 610 T CB -0.580 68.308 68.868 0.033 0.000 0.817 610 T HN 0.572 nan 8.240 nan 0.000 0.592 611 S N 1.758 117.438 115.700 -0.032 0.000 2.345 611 S HA -0.104 4.365 4.470 -0.001 0.000 0.219 611 S C 1.152 175.690 174.600 -0.103 0.000 1.031 611 S CA 0.015 58.183 58.200 -0.053 0.000 0.984 611 S CB -0.656 62.519 63.200 -0.042 0.000 0.874 611 S HN 0.895 nan 8.310 nan 0.000 0.451 612 Q N 1.948 121.662 119.800 -0.144 0.000 2.327 612 Q HA 0.513 4.852 4.340 -0.001 0.000 0.254 612 Q C -0.108 175.621 176.000 -0.451 0.000 0.952 612 Q CA -0.291 55.344 55.803 -0.280 0.000 0.884 612 Q CB 0.638 29.202 28.738 -0.290 0.000 1.224 612 Q HN 0.447 nan 8.270 nan 0.000 0.422 613 T N -0.799 113.407 114.554 -0.580 0.000 2.858 613 T HA 0.772 5.121 4.350 -0.001 0.000 0.285 613 T C -0.941 173.202 174.700 -0.929 0.000 1.052 613 T CA -0.784 60.955 62.100 -0.602 0.000 1.009 613 T CB 0.992 69.721 68.868 -0.233 0.000 1.241 613 T HN 0.490 nan 8.240 nan 0.000 0.542 614 F N -0.107 119.820 119.950 -0.039 0.000 2.578 614 F HA 0.655 5.181 4.527 -0.002 0.000 0.311 614 F C -0.582 175.130 175.800 -0.146 0.000 1.094 614 F CA -1.411 56.494 58.000 -0.157 0.000 0.923 614 F CB 2.135 41.061 39.000 -0.123 0.000 1.230 614 F HN 0.375 nan 8.300 nan 0.000 0.450 615 I N 3.436 123.945 120.570 -0.100 0.000 2.595 615 I HA 0.212 4.381 4.170 -0.001 0.000 0.275 615 I C -1.153 174.905 176.117 -0.097 0.000 1.092 615 I CA -0.959 60.319 61.300 -0.037 0.000 1.145 615 I CB 0.011 37.989 38.000 -0.035 0.000 1.276 615 I HN 0.526 nan 8.210 nan 0.000 0.497 616 Y N 4.242 124.573 120.300 0.052 0.000 2.359 616 Y HA 0.306 4.856 4.550 -0.001 0.000 0.334 616 Y C 0.915 176.823 175.900 0.013 0.000 1.058 616 Y CA -0.104 58.008 58.100 0.021 0.000 1.244 616 Y CB 1.062 39.518 38.460 -0.006 0.000 1.187 616 Y HN 0.303 nan 8.280 nan 0.000 0.510 617 K N 3.773 124.253 120.400 0.134 0.000 2.110 617 K HA 0.745 5.064 4.320 -0.001 0.000 0.263 617 K C -0.847 175.799 176.600 0.077 0.000 0.975 617 K CA -0.614 55.726 56.287 0.088 0.000 0.895 617 K CB 1.101 33.633 32.500 0.054 0.000 1.060 617 K HN 0.851 nan 8.250 nan 0.000 0.448 618 C N -1.464 117.870 119.300 0.057 0.000 3.312 618 C HA 0.316 4.775 4.460 -0.001 0.000 0.332 618 C C 0.422 175.426 174.990 0.022 0.000 1.340 618 C CA -0.918 58.112 59.018 0.020 0.000 1.265 618 C CB 0.914 28.649 27.740 -0.008 0.000 1.563 618 C HN 0.879 nan 8.230 nan 0.000 0.471 619 D N 0.906 121.291 120.400 -0.025 0.000 2.289 619 D HA 0.309 4.948 4.640 -0.001 0.000 0.207 619 D C 0.733 177.016 176.300 -0.028 0.000 0.966 619 D CA 1.556 55.564 54.000 0.014 0.000 0.868 619 D CB 0.501 41.306 40.800 0.009 0.000 0.943 619 D HN 1.026 nan 8.370 nan 0.000 0.514 620 A N 0.396 123.130 122.820 -0.144 0.000 2.574 620 A HA 0.527 4.846 4.320 -0.001 0.000 0.297 620 A C -1.163 176.408 177.584 -0.022 0.000 1.062 620 A CA -0.598 51.412 52.037 -0.046 0.000 0.686 620 A CB 1.934 20.791 19.000 -0.239 0.000 1.285 620 A HN -0.083 nan 8.150 nan 0.000 0.403 621 V N 1.662 121.617 119.914 0.068 0.000 2.555 621 V HA 0.591 4.710 4.120 -0.001 0.000 0.302 621 V C -0.892 175.212 176.094 0.018 0.000 1.038 621 V CA -0.519 61.779 62.300 -0.002 0.000 0.887 621 V CB 1.477 33.286 31.823 -0.024 0.000 0.991 621 V HN 0.837 nan 8.190 nan 0.000 0.434 622 L N 5.755 126.943 121.223 -0.059 0.000 2.318 622 L HA 0.570 4.909 4.340 -0.001 0.000 0.277 622 L C -0.385 176.419 176.870 -0.111 0.000 1.008 622 L CA -0.094 54.703 54.840 -0.071 0.000 0.846 622 L CB 0.891 42.890 42.059 -0.100 0.000 1.220 622 L HN 0.830 nan 8.230 nan 0.000 0.423 623 C N 4.236 123.412 119.300 -0.206 0.000 2.281 623 C HA 0.548 5.007 4.460 -0.001 0.000 0.336 623 C C 1.449 176.467 174.990 0.047 0.000 1.217 623 C CA 0.219 59.169 59.018 -0.113 0.000 1.730 623 C CB -0.719 26.889 27.740 -0.220 0.000 2.338 623 C HN 0.950 nan 8.230 nan 0.000 0.521 624 T N 4.523 119.121 114.554 0.074 0.000 3.248 624 T HA 0.285 4.634 4.350 -0.001 0.000 0.271 624 T C 0.217 175.017 174.700 0.167 0.000 1.005 624 T CA -0.319 61.861 62.100 0.133 0.000 0.902 624 T CB -0.438 68.469 68.868 0.066 0.000 1.102 624 T HN 0.645 nan 8.240 nan 0.000 0.548 625 L N 1.920 123.248 121.223 0.176 0.000 2.456 625 L HA 0.327 4.666 4.340 -0.001 0.000 0.272 625 L C -2.089 174.806 176.870 0.041 0.000 1.189 625 L CA -2.052 52.862 54.840 0.123 0.000 0.846 625 L CB 0.169 42.314 42.059 0.143 0.000 1.111 625 L HN 0.084 nan 8.230 nan 0.000 0.475 626 P HA -0.037 nan 4.420 nan 0.000 0.269 626 P C 0.430 177.291 177.300 -0.732 0.000 1.215 626 P CA -0.410 62.486 63.100 -0.339 0.000 0.780 626 P CB 0.643 32.259 31.700 -0.140 0.000 0.898 627 L N 3.132 123.605 121.223 -1.250 0.000 2.127 627 L HA -0.089 4.250 4.340 -0.001 0.000 0.211 627 L C 2.131 178.387 176.870 -1.024 0.000 1.089 627 L CA 2.504 56.710 54.840 -1.058 0.000 0.757 627 L CB -1.529 40.038 42.059 -0.820 0.000 0.899 627 L HN 0.511 nan 8.230 nan 0.000 0.434 628 G N -1.026 106.726 108.800 -1.747 0.000 2.442 628 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 628 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 628 G C 1.446 176.115 174.900 -0.385 0.000 1.141 628 G CA 1.194 45.704 45.100 -0.984 0.000 0.763 628 G HN 0.368 nan 8.290 nan 0.000 0.554 629 V N 0.759 120.490 119.914 -0.306 0.000 2.407 629 V HA -0.017 4.102 4.120 -0.001 0.000 0.245 629 V C 2.845 178.883 176.094 -0.093 0.000 1.041 629 V CA 1.077 63.310 62.300 -0.112 0.000 1.040 629 V CB -0.429 31.389 31.823 -0.008 0.000 0.671 629 V HN 0.323 nan 8.190 nan 0.000 0.455 630 L N -0.217 120.925 121.223 -0.135 0.000 2.187 630 L HA -0.212 4.127 4.340 -0.001 0.000 0.213 630 L C 2.414 179.227 176.870 -0.095 0.000 1.100 630 L CA 1.651 56.451 54.840 -0.065 0.000 0.765 630 L CB -0.538 41.456 42.059 -0.109 0.000 0.904 630 L HN 0.324 nan 8.230 nan 0.000 0.437 631 K N -0.547 119.759 120.400 -0.158 0.000 2.365 631 K HA -0.043 4.276 4.320 -0.001 0.000 0.197 631 K C 0.829 177.387 176.600 -0.070 0.000 1.042 631 K CA -0.107 56.108 56.287 -0.120 0.000 0.987 631 K CB 0.069 32.485 32.500 -0.140 0.000 0.779 631 K HN 0.252 nan 8.250 nan 0.000 0.484 632 Q N 1.592 121.355 119.800 -0.062 0.000 2.310 632 Q HA -0.113 4.226 4.340 -0.001 0.000 0.315 632 Q C -0.743 175.245 176.000 -0.021 0.000 1.081 632 Q CA 0.822 56.603 55.803 -0.037 0.000 0.981 632 Q CB 0.484 29.203 28.738 -0.033 0.000 1.184 632 Q HN 0.009 nan 8.270 nan 0.000 0.389 633 Q N 4.151 123.940 119.800 -0.019 0.000 2.295 633 Q HA 0.374 4.714 4.340 -0.001 0.000 0.259 633 Q C -2.305 173.687 176.000 -0.013 0.000 0.966 633 Q CA -1.673 54.122 55.803 -0.013 0.000 0.763 633 Q CB 1.609 30.339 28.738 -0.014 0.000 1.283 633 Q HN 0.647 nan 8.270 nan 0.000 0.445 634 P HA 0.183 nan 4.420 nan 0.000 0.269 634 P C -2.436 174.863 177.300 -0.001 0.000 1.209 634 P CA -0.881 62.216 63.100 -0.004 0.000 0.776 634 P CB -0.046 31.651 31.700 -0.004 0.000 0.876 635 P HA -0.097 nan 4.420 nan 0.000 0.260 635 P C 0.151 177.462 177.300 0.018 0.000 1.172 635 P CA 0.314 63.428 63.100 0.025 0.000 0.760 635 P CB 0.727 32.457 31.700 0.049 0.000 0.773 636 A N 4.493 127.326 122.820 0.022 0.000 1.898 636 A HA 0.004 4.323 4.320 -0.001 0.000 0.216 636 A C 1.146 178.748 177.584 0.031 0.000 1.181 636 A CA 1.771 53.826 52.037 0.031 0.000 0.620 636 A CB -0.530 18.500 19.000 0.050 0.000 0.819 636 A HN 0.568 nan 8.150 nan 0.000 0.442 637 V N -1.530 118.383 119.914 -0.002 0.000 2.789 637 V HA 0.589 4.708 4.120 -0.001 0.000 0.311 637 V C -0.873 175.119 176.094 -0.170 0.000 1.073 637 V CA -0.887 61.352 62.300 -0.102 0.000 0.921 637 V CB 1.682 33.394 31.823 -0.184 0.000 1.009 637 V HN 0.485 nan 8.190 nan 0.000 0.426 638 Q N 3.147 122.831 119.800 -0.194 0.000 2.230 638 Q HA 0.569 4.908 4.340 -0.001 0.000 0.253 638 Q C -1.869 173.970 176.000 -0.269 0.000 0.919 638 Q CA -0.628 55.101 55.803 -0.123 0.000 0.908 638 Q CB 1.648 30.367 28.738 -0.032 0.000 1.245 638 Q HN 0.787 nan 8.270 nan 0.000 0.437 639 F N 2.065 122.067 119.950 0.086 0.000 2.458 639 F HA 0.468 4.994 4.527 -0.001 0.000 0.336 639 F C -0.594 175.303 175.800 0.162 0.000 1.114 639 F CA -0.691 57.403 58.000 0.156 0.000 0.987 639 F CB 1.944 41.039 39.000 0.159 0.000 1.130 639 F HN 0.209 nan 8.300 nan 0.000 0.458 640 V N 4.313 124.435 119.914 0.347 0.000 2.447 640 V HA 0.374 4.493 4.120 -0.001 0.000 0.292 640 V C -2.433 173.555 176.094 -0.177 0.000 1.021 640 V CA -2.102 60.265 62.300 0.110 0.000 0.850 640 V CB 1.530 33.376 31.823 0.038 0.000 1.005 640 V HN 0.488 nan 8.190 nan 0.000 0.426 641 P HA 0.282 nan 4.420 nan 0.000 0.272 641 P C -2.646 174.756 177.300 0.169 0.000 1.254 641 P CA -1.205 61.845 63.100 -0.083 0.000 0.795 641 P CB -0.116 31.499 31.700 -0.142 0.000 1.022 642 P HA 0.090 nan 4.420 nan 0.000 0.271 642 P C -0.325 177.040 177.300 0.110 0.000 1.233 642 P CA 0.096 63.285 63.100 0.148 0.000 0.789 642 P CB 0.284 32.025 31.700 0.067 0.000 0.951 643 L N 2.724 123.935 121.223 -0.020 0.000 2.461 643 L HA 0.194 4.533 4.340 -0.001 0.000 0.272 643 L C -1.749 174.970 176.870 -0.252 0.000 1.197 643 L CA -1.670 53.037 54.840 -0.223 0.000 0.836 643 L CB -0.376 41.406 42.059 -0.460 0.000 1.105 643 L HN 0.280 nan 8.230 nan 0.000 0.477 644 P HA -0.094 nan 4.420 nan 0.000 0.270 644 P C 0.482 177.528 177.300 -0.425 0.000 1.221 644 P CA -0.124 62.735 63.100 -0.403 0.000 0.788 644 P CB 0.506 31.743 31.700 -0.772 0.000 0.904 645 E N 1.585 121.672 120.200 -0.188 0.000 2.072 645 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 645 E C 1.658 178.192 176.600 -0.111 0.000 0.985 645 E CA 1.504 57.844 56.400 -0.101 0.000 0.801 645 E CB -0.411 29.299 29.700 0.016 0.000 0.750 645 E HN 0.639 nan 8.360 nan 0.000 0.452 646 W N 1.349 122.610 121.300 -0.065 0.000 2.421 646 W HA -0.101 4.558 4.660 -0.001 0.000 0.270 646 W C 1.610 178.059 176.519 -0.117 0.000 1.233 646 W CA 0.973 58.271 57.345 -0.079 0.000 1.226 646 W CB -0.564 28.855 29.460 -0.068 0.000 1.121 646 W HN -0.000 nan 8.180 nan 0.000 0.579 647 K N 1.943 121.812 120.400 -0.886 0.000 2.078 647 K HA -0.093 4.226 4.320 -0.001 0.000 0.203 647 K C 2.517 178.825 176.600 -0.487 0.000 1.043 647 K CA 2.998 58.764 56.287 -0.869 0.000 0.960 647 K CB -0.957 30.774 32.500 -1.283 0.000 0.761 647 K HN 0.047 nan 8.250 nan 0.000 0.448 648 T N -1.016 113.283 114.554 -0.425 0.000 2.720 648 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 648 T C 2.048 176.636 174.700 -0.186 0.000 1.037 648 T CA 1.972 63.909 62.100 -0.272 0.000 1.144 648 T CB -0.953 67.793 68.868 -0.204 0.000 0.864 648 T HN 0.304 nan 8.240 nan 0.000 0.444 649 S N 2.665 118.277 115.700 -0.147 0.000 2.370 649 S HA 0.025 4.494 4.470 -0.001 0.000 0.226 649 S C 2.484 177.033 174.600 -0.085 0.000 1.033 649 S CA 1.017 59.168 58.200 -0.082 0.000 1.011 649 S CB -1.083 62.099 63.200 -0.029 0.000 0.852 649 S HN 0.822 nan 8.310 nan 0.000 0.457 650 A N 1.578 124.337 122.820 -0.101 0.000 1.898 650 A HA 0.115 4.434 4.320 -0.001 0.000 0.216 650 A C 2.442 179.934 177.584 -0.153 0.000 1.181 650 A CA 1.434 53.408 52.037 -0.105 0.000 0.620 650 A CB -1.172 17.772 19.000 -0.093 0.000 0.819 650 A HN 0.420 nan 8.150 nan 0.000 0.442 651 V N 0.241 120.040 119.914 -0.192 0.000 2.252 651 V HA -0.381 3.738 4.120 -0.001 0.000 0.249 651 V C 2.674 178.675 176.094 -0.155 0.000 1.056 651 V CA 2.498 64.680 62.300 -0.196 0.000 1.022 651 V CB -0.990 30.703 31.823 -0.217 0.000 0.641 651 V HN 0.680 nan 8.190 nan 0.000 0.445 652 Q N -0.954 118.770 119.800 -0.126 0.000 2.226 652 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 652 Q C 2.472 178.423 176.000 -0.082 0.000 0.975 652 Q CA 1.345 57.093 55.803 -0.093 0.000 0.866 652 Q CB -0.195 28.500 28.738 -0.072 0.000 0.915 652 Q HN 0.546 nan 8.270 nan 0.000 0.440 653 R N 0.032 120.480 120.500 -0.087 0.000 2.057 653 R HA 0.050 4.389 4.340 -0.001 0.000 0.229 653 R C 0.857 177.097 176.300 -0.100 0.000 1.136 653 R CA 0.405 56.463 56.100 -0.070 0.000 0.952 653 R CB -0.045 30.223 30.300 -0.054 0.000 0.848 653 R HN 0.247 nan 8.270 nan 0.000 0.430 654 M N 0.295 119.805 119.600 -0.150 0.000 2.247 654 M HA -0.014 4.465 4.480 -0.001 0.000 0.318 654 M C 0.722 176.852 176.300 -0.283 0.000 1.054 654 M CA 0.429 55.596 55.300 -0.221 0.000 1.117 654 M CB 0.361 32.787 32.600 -0.291 0.000 1.515 654 M HN 0.142 nan 8.290 nan 0.000 0.442 655 G N 1.397 109.884 108.800 -0.520 0.000 2.389 655 G HA2 0.622 4.581 3.960 -0.001 0.000 0.328 655 G HA3 0.622 4.581 3.960 -0.001 0.000 0.328 655 G C -1.881 172.608 174.900 -0.685 0.000 1.133 655 G CA -0.339 44.140 45.100 -1.036 0.000 0.891 655 G HN 0.553 nan 8.290 nan 0.000 0.485 656 F N 1.726 121.427 119.950 -0.416 0.000 2.539 656 F HA 0.628 5.154 4.527 -0.001 0.000 0.328 656 F C 0.571 176.475 175.800 0.173 0.000 1.148 656 F CA -0.778 57.173 58.000 -0.082 0.000 0.940 656 F CB 1.619 40.565 39.000 -0.091 0.000 1.194 656 F HN 0.709 nan 8.300 nan 0.000 0.438 657 G N 3.450 112.141 108.800 -0.183 0.000 2.509 657 G HA2 0.311 4.270 3.960 -0.001 0.000 0.269 657 G HA3 0.311 4.270 3.960 -0.001 0.000 0.269 657 G C -1.348 173.322 174.900 -0.384 0.000 1.416 657 G CA -0.739 44.235 45.100 -0.209 0.000 1.052 657 G HN 0.732 nan 8.290 nan 0.000 0.542 658 N N -1.947 116.562 118.700 -0.319 0.000 2.431 658 N HA 0.437 5.176 4.740 -0.001 0.000 0.275 658 N C -2.214 173.203 175.510 -0.154 0.000 1.091 658 N CA -0.626 52.305 53.050 -0.198 0.000 0.922 658 N CB 2.211 40.665 38.487 -0.055 0.000 1.666 658 N HN 0.430 nan 8.380 nan 0.000 0.484 659 L N 2.470 123.656 121.223 -0.061 0.000 2.506 659 L HA 0.653 4.992 4.340 -0.001 0.000 0.257 659 L C -1.882 175.088 176.870 0.166 0.000 0.964 659 L CA -0.473 54.394 54.840 0.046 0.000 0.836 659 L CB 2.162 44.276 42.059 0.093 0.000 1.384 659 L HN 0.609 nan 8.230 nan 0.000 0.410 660 N N 2.312 121.099 118.700 0.146 0.000 2.357 660 N HA 0.607 5.346 4.740 -0.001 0.000 0.284 660 N C -1.615 173.939 175.510 0.074 0.000 1.236 660 N CA -0.725 52.426 53.050 0.169 0.000 0.774 660 N CB 2.627 41.175 38.487 0.102 0.000 1.534 660 N HN 0.552 nan 8.380 nan 0.000 0.478 661 K N 0.258 120.691 120.400 0.054 0.000 2.385 661 K HA 0.660 4.979 4.320 -0.001 0.000 0.248 661 K C -1.184 175.376 176.600 -0.068 0.000 0.955 661 K CA -0.836 55.431 56.287 -0.033 0.000 0.816 661 K CB 2.605 35.091 32.500 -0.024 0.000 1.250 661 K HN 0.114 nan 8.250 nan 0.000 0.434 662 V N 2.346 122.199 119.914 -0.102 0.000 2.376 662 V HA 0.210 4.329 4.120 -0.001 0.000 0.287 662 V C -0.561 175.462 176.094 -0.119 0.000 1.015 662 V CA -0.971 61.265 62.300 -0.107 0.000 0.834 662 V CB 1.588 33.361 31.823 -0.083 0.000 1.001 662 V HN 0.480 nan 8.190 nan 0.000 0.428 663 V N 6.788 126.602 119.914 -0.166 0.000 2.385 663 V HA 0.378 4.497 4.120 -0.001 0.000 0.269 663 V C 0.013 175.952 176.094 -0.259 0.000 1.043 663 V CA -0.281 61.899 62.300 -0.199 0.000 0.906 663 V CB 1.123 32.768 31.823 -0.296 0.000 0.995 663 V HN 0.629 nan 8.190 nan 0.000 0.467 664 L N 5.012 126.097 121.223 -0.230 0.000 2.277 664 L HA 0.420 4.759 4.340 -0.001 0.000 0.284 664 L C -0.462 176.069 176.870 -0.566 0.000 1.028 664 L CA -0.217 54.368 54.840 -0.426 0.000 0.835 664 L CB 1.170 43.024 42.059 -0.342 0.000 1.215 664 L HN 0.601 nan 8.230 nan 0.000 0.425 665 C N 3.766 122.706 119.300 -0.600 0.000 2.246 665 C HA 0.527 4.986 4.460 -0.001 0.000 0.329 665 C C 0.288 175.008 174.990 -0.450 0.000 1.221 665 C CA -0.647 58.063 59.018 -0.513 0.000 1.697 665 C CB -1.025 26.264 27.740 -0.751 0.000 2.312 665 C HN 0.448 nan 8.230 nan 0.000 0.509 666 F N 1.948 121.994 119.950 0.160 0.000 2.518 666 F HA 0.406 4.932 4.527 -0.001 0.000 0.338 666 F C 1.285 177.251 175.800 0.277 0.000 1.065 666 F CA -0.807 57.341 58.000 0.246 0.000 1.012 666 F CB 0.858 40.103 39.000 0.408 0.000 1.297 666 F HN 0.526 nan 8.300 nan 0.000 0.489 667 D N -1.210 119.458 120.400 0.446 0.000 2.398 667 D HA 0.164 4.803 4.640 -0.001 0.000 0.210 667 D C 0.017 176.436 176.300 0.199 0.000 1.094 667 D CA 0.079 54.262 54.000 0.305 0.000 0.839 667 D CB 0.170 41.103 40.800 0.221 0.000 0.963 667 D HN 0.393 nan 8.370 nan 0.000 0.506 668 R N -0.827 119.786 120.500 0.189 0.000 2.764 668 R HA 0.623 4.962 4.340 -0.001 0.000 0.270 668 R C -1.520 174.617 176.300 -0.271 0.000 1.014 668 R CA -1.042 55.054 56.100 -0.005 0.000 0.904 668 R CB 2.531 32.838 30.300 0.012 0.000 1.236 668 R HN -0.194 nan 8.270 nan 0.000 0.466 669 V N 3.339 122.914 119.914 -0.565 0.000 2.275 669 V HA 0.176 4.295 4.120 -0.001 0.000 0.272 669 V C 0.045 175.483 176.094 -1.094 0.000 1.028 669 V CA -0.347 61.103 62.300 -1.416 0.000 0.810 669 V CB 0.441 31.544 31.823 -1.201 0.000 1.043 669 V HN 0.737 nan 8.190 nan 0.000 0.453 670 F N 1.717 121.129 119.950 -0.896 0.000 2.797 670 F HA 0.389 4.915 4.527 -0.002 0.000 0.302 670 F C 0.551 176.084 175.800 -0.445 0.000 1.130 670 F CA -1.318 56.376 58.000 -0.511 0.000 1.387 670 F CB -0.517 38.229 39.000 -0.424 0.000 1.107 670 F HN 0.456 nan 8.300 nan 0.000 0.577 671 W N 0.038 120.913 121.300 -0.708 0.000 2.481 671 W HA 0.525 5.185 4.660 -0.002 0.000 0.369 671 W C -0.472 175.979 176.519 -0.114 0.000 1.235 671 W CA -1.559 55.495 57.345 -0.485 0.000 1.344 671 W CB 0.065 29.164 29.460 -0.602 0.000 1.360 671 W HN -0.253 nan 8.180 nan 0.000 0.658 672 D N 2.590 123.170 120.400 0.301 0.000 2.344 672 D HA 0.121 4.760 4.640 -0.001 0.000 0.253 672 D C -0.912 175.527 176.300 0.232 0.000 1.255 672 D CA -2.387 51.727 54.000 0.189 0.000 0.894 672 D CB 1.196 42.107 40.800 0.185 0.000 1.067 672 D HN 0.134 nan 8.370 nan 0.000 0.492 673 P HA -0.147 nan 4.420 nan 0.000 0.222 673 P C 0.946 178.328 177.300 0.137 0.000 1.147 673 P CA 0.739 63.911 63.100 0.120 0.000 0.790 673 P CB 0.200 31.902 31.700 0.004 0.000 0.780 674 S N -1.583 114.185 115.700 0.113 0.000 2.528 674 S HA 0.073 4.542 4.470 -0.001 0.000 0.219 674 S C 0.828 175.499 174.600 0.117 0.000 0.985 674 S CA -0.214 58.044 58.200 0.096 0.000 0.914 674 S CB -0.750 62.491 63.200 0.069 0.000 0.776 674 S HN -0.101 nan 8.310 nan 0.000 0.526 675 V N 3.049 123.061 119.914 0.163 0.000 2.383 675 V HA 0.291 4.410 4.120 -0.001 0.000 0.275 675 V C 0.884 177.092 176.094 0.191 0.000 1.036 675 V CA -0.517 61.889 62.300 0.177 0.000 0.889 675 V CB 0.867 32.825 31.823 0.225 0.000 0.985 675 V HN 0.411 nan 8.190 nan 0.000 0.459 676 N N 3.380 122.155 118.700 0.126 0.000 2.207 676 N HA 0.127 4.866 4.740 -0.001 0.000 0.182 676 N C 0.198 175.721 175.510 0.022 0.000 1.020 676 N CA 0.712 53.817 53.050 0.092 0.000 0.858 676 N CB 0.247 38.778 38.487 0.072 0.000 0.991 676 N HN 0.677 nan 8.380 nan 0.000 0.427 677 L N -2.473 118.730 121.223 -0.033 0.000 2.415 677 L HA 0.685 5.024 4.340 -0.001 0.000 0.256 677 L C -1.645 175.238 176.870 0.021 0.000 1.010 677 L CA -1.295 53.407 54.840 -0.230 0.000 0.826 677 L CB 1.739 43.408 42.059 -0.650 0.000 1.405 677 L HN -0.111 nan 8.230 nan 0.000 0.410 678 F N -1.169 118.754 119.950 -0.045 0.000 2.628 678 F HA 0.890 5.416 4.527 -0.001 0.000 0.309 678 F C -0.254 175.650 175.800 0.173 0.000 1.108 678 F CA -0.727 57.327 58.000 0.090 0.000 0.971 678 F CB 1.161 40.283 39.000 0.202 0.000 1.279 678 F HN 0.709 nan 8.300 nan 0.000 0.441 679 G N 0.594 109.604 108.800 0.350 0.000 2.437 679 G HA2 0.499 4.458 3.960 -0.001 0.000 0.319 679 G HA3 0.499 4.458 3.960 -0.001 0.000 0.319 679 G C -2.158 173.057 174.900 0.526 0.000 1.158 679 G CA -0.738 44.583 45.100 0.369 0.000 0.899 679 G HN 1.129 nan 8.290 nan 0.000 0.502 680 H N -0.039 119.349 119.070 0.530 0.000 2.658 680 H HA 0.516 5.071 4.556 -0.001 0.000 0.337 680 H C -0.873 174.747 175.328 0.488 0.000 1.009 680 H CA -0.672 55.653 56.048 0.461 0.000 1.231 680 H CB 1.457 31.534 29.762 0.525 0.000 1.508 680 H HN 0.297 nan 8.280 nan 0.000 0.517 681 V N 5.314 125.134 119.914 -0.156 0.000 2.461 681 V HA 0.424 4.543 4.120 -0.001 0.000 0.275 681 V C 1.411 177.286 176.094 -0.365 0.000 1.047 681 V CA 0.079 62.322 62.300 -0.095 0.000 0.955 681 V CB 1.109 32.913 31.823 -0.032 0.000 0.988 681 V HN 1.003 nan 8.190 nan 0.000 0.471 682 G N 3.136 111.842 108.800 -0.156 0.000 2.653 682 G HA2 0.318 4.277 3.960 -0.001 0.000 0.265 682 G HA3 0.318 4.277 3.960 -0.001 0.000 0.265 682 G C 0.842 175.748 174.900 0.009 0.000 1.237 682 G CA -0.010 45.050 45.100 -0.066 0.000 0.946 682 G HN 0.684 nan 8.290 nan 0.000 0.522 683 S N -1.322 114.412 115.700 0.056 0.000 2.456 683 S HA 0.123 4.593 4.470 -0.001 0.000 0.224 683 S C 1.196 175.827 174.600 0.052 0.000 1.035 683 S CA 0.938 59.172 58.200 0.058 0.000 0.940 683 S CB 0.120 63.364 63.200 0.073 0.000 0.799 683 S HN 1.019 nan 8.310 nan 0.000 0.508 684 T N -1.353 113.233 114.554 0.052 0.000 2.916 684 T HA 0.409 4.758 4.350 -0.001 0.000 0.292 684 T C 0.866 175.593 174.700 0.044 0.000 1.055 684 T CA -0.556 61.573 62.100 0.047 0.000 1.009 684 T CB 1.454 70.347 68.868 0.042 0.000 1.118 684 T HN -0.131 nan 8.240 nan 0.000 0.497 685 T N 1.511 116.092 114.554 0.045 0.000 2.684 685 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 685 T C 2.410 177.118 174.700 0.013 0.000 1.036 685 T CA 1.754 63.880 62.100 0.043 0.000 1.148 685 T CB -0.856 68.039 68.868 0.044 0.000 0.863 685 T HN 0.855 nan 8.240 nan 0.000 0.436 686 A N 1.436 124.262 122.820 0.010 0.000 1.873 686 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 686 A C 2.303 179.884 177.584 -0.005 0.000 1.193 686 A CA 1.944 53.979 52.037 -0.002 0.000 0.629 686 A CB -0.666 18.338 19.000 0.006 0.000 0.826 686 A HN 0.456 nan 8.150 nan 0.000 0.447 687 S N -0.497 115.212 115.700 0.014 0.000 2.622 687 S HA 0.092 4.561 4.470 -0.001 0.000 0.236 687 S C 1.401 176.014 174.600 0.021 0.000 0.956 687 S CA 0.180 58.395 58.200 0.023 0.000 0.971 687 S CB -0.165 63.066 63.200 0.051 0.000 0.782 687 S HN 0.738 nan 8.310 nan 0.000 0.468 688 R N 1.020 121.514 120.500 -0.010 0.000 2.293 688 R HA 0.007 4.347 4.340 -0.001 0.000 0.219 688 R C 1.442 177.671 176.300 -0.118 0.000 1.091 688 R CA 1.281 57.361 56.100 -0.033 0.000 1.004 688 R CB -0.525 29.755 30.300 -0.033 0.000 0.865 688 R HN 0.282 nan 8.270 nan 0.000 0.469 689 G N 0.800 109.521 108.800 -0.131 0.000 3.337 689 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.246 689 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.246 689 G C -0.336 174.590 174.900 0.045 0.000 1.131 689 G CA -0.502 44.466 45.100 -0.219 0.000 0.773 689 G HN 0.385 nan 8.290 nan 0.000 0.544 690 E N 1.382 121.654 120.200 0.120 0.000 1.996 690 E HA 0.328 4.677 4.350 -0.001 0.000 0.280 690 E C 0.433 177.191 176.600 0.264 0.000 1.092 690 E CA -0.503 55.998 56.400 0.168 0.000 0.862 690 E CB -0.134 29.655 29.700 0.149 0.000 1.066 690 E HN 0.225 nan 8.360 nan 0.000 0.396 691 L N 4.943 126.268 121.223 0.171 0.000 3.660 691 L HA -0.291 4.048 4.340 -0.001 0.000 0.440 691 L C 0.608 177.578 176.870 0.168 0.000 1.262 691 L CA -0.039 54.794 54.840 -0.011 0.000 0.837 691 L CB -2.016 40.055 42.059 0.020 0.000 1.689 691 L HN 0.632 nan 8.230 nan 0.000 0.890 692 F N -1.075 118.904 119.950 0.049 0.000 2.512 692 F HA 0.416 4.942 4.527 -0.002 0.000 0.296 692 F C 0.579 176.531 175.800 0.253 0.000 1.110 692 F CA 0.074 58.187 58.000 0.189 0.000 1.446 692 F CB 0.102 39.046 39.000 -0.092 0.000 1.092 692 F HN 0.100 nan 8.300 nan 0.000 0.554 693 L N 0.627 121.190 121.223 -1.101 0.000 2.409 693 L HA 0.551 4.890 4.340 -0.001 0.000 0.272 693 L C -1.755 174.622 176.870 -0.822 0.000 0.980 693 L CA -1.117 53.155 54.840 -0.946 0.000 0.826 693 L CB 1.473 42.642 42.059 -1.482 0.000 1.268 693 L HN -0.012 nan 8.230 nan 0.000 0.407 694 F N 3.320 122.827 119.950 -0.740 0.000 2.469 694 F HA 0.575 5.101 4.527 -0.001 0.000 0.332 694 F C -0.934 174.363 175.800 -0.839 0.000 1.103 694 F CA -0.020 57.485 58.000 -0.825 0.000 0.979 694 F CB 1.530 39.601 39.000 -1.549 0.000 1.137 694 F HN 0.378 nan 8.300 nan 0.000 0.463 695 W N 2.486 123.572 121.300 -0.357 0.000 2.587 695 W HA 0.364 5.024 4.660 -0.001 0.000 0.324 695 W C -0.344 176.042 176.519 -0.222 0.000 1.040 695 W CA -0.905 56.292 57.345 -0.246 0.000 1.222 695 W CB 1.187 30.533 29.460 -0.191 0.000 1.381 695 W HN 0.372 nan 8.180 nan 0.000 0.483 696 N N 3.459 122.185 118.700 0.043 0.000 2.707 696 N HA 0.240 4.979 4.740 -0.001 0.000 0.235 696 N C -0.495 175.031 175.510 0.027 0.000 1.028 696 N CA -0.274 52.786 53.050 0.015 0.000 0.906 696 N CB 0.597 39.142 38.487 0.097 0.000 1.131 696 N HN 0.338 nan 8.380 nan 0.000 0.509 697 L N 2.618 123.733 121.223 -0.179 0.000 2.749 697 L HA 0.341 4.681 4.340 -0.001 0.000 0.242 697 L C -0.421 176.160 176.870 -0.483 0.000 1.103 697 L CA 0.241 54.825 54.840 -0.426 0.000 0.906 697 L CB -0.804 40.761 42.059 -0.824 0.000 1.228 697 L HN 0.443 nan 8.230 nan 0.000 0.517 698 Y N -0.685 119.728 120.300 0.189 0.000 2.545 698 Y HA 0.381 4.930 4.550 -0.001 0.000 0.324 698 Y C 1.678 177.686 175.900 0.180 0.000 1.220 698 Y CA -1.062 57.145 58.100 0.178 0.000 1.290 698 Y CB 0.551 39.126 38.460 0.191 0.000 1.355 698 Y HN -0.254 nan 8.280 nan 0.000 0.516 699 K N 1.127 121.728 120.400 0.335 0.000 2.001 699 K HA 0.109 4.429 4.320 -0.001 0.000 0.208 699 K C 0.624 177.340 176.600 0.193 0.000 1.048 699 K CA 1.151 57.558 56.287 0.200 0.000 0.932 699 K CB -0.429 32.153 32.500 0.135 0.000 0.715 699 K HN 0.741 nan 8.250 nan 0.000 0.437 700 A N 0.881 123.836 122.820 0.225 0.000 2.296 700 A HA 0.357 4.677 4.320 -0.001 0.000 0.264 700 A C -2.272 175.562 177.584 0.417 0.000 1.097 700 A CA -1.230 50.938 52.037 0.217 0.000 0.811 700 A CB -0.307 18.757 19.000 0.106 0.000 1.072 700 A HN 0.217 nan 8.150 nan 0.000 0.495 701 P HA 0.313 nan 4.420 nan 0.000 0.256 701 P C -1.148 176.655 177.300 0.838 0.000 1.688 701 P CA 0.786 64.265 63.100 0.632 0.000 1.162 701 P CB -0.374 31.606 31.700 0.466 0.000 1.870 702 I N 2.747 123.762 120.570 0.742 0.000 2.582 702 I HA 0.401 4.570 4.170 -0.001 0.000 0.292 702 I C -0.346 175.832 176.117 0.102 0.000 1.066 702 I CA -0.882 60.660 61.300 0.402 0.000 1.053 702 I CB 2.416 40.662 38.000 0.410 0.000 1.241 702 I HN -0.070 nan 8.210 nan 0.000 0.421 703 L N 5.990 127.174 121.223 -0.064 0.000 2.381 703 L HA 0.614 4.953 4.340 -0.001 0.000 0.268 703 L C -0.949 175.935 176.870 0.025 0.000 0.997 703 L CA -0.786 53.967 54.840 -0.145 0.000 0.818 703 L CB 2.436 44.331 42.059 -0.273 0.000 1.310 703 L HN 0.359 nan 8.230 nan 0.000 0.416 704 L N 2.230 123.489 121.223 0.060 0.000 2.346 704 L HA 0.756 5.095 4.340 -0.001 0.000 0.276 704 L C -0.203 176.618 176.870 -0.081 0.000 1.006 704 L CA -0.593 54.248 54.840 0.001 0.000 0.817 704 L CB 1.972 44.002 42.059 -0.049 0.000 1.272 704 L HN 0.670 nan 8.230 nan 0.000 0.421 705 A N 3.475 126.153 122.820 -0.236 0.000 2.331 705 A HA 0.749 5.068 4.320 -0.001 0.000 0.320 705 A C -0.990 176.370 177.584 -0.373 0.000 1.138 705 A CA -0.469 51.209 52.037 -0.598 0.000 0.790 705 A CB 1.399 20.036 19.000 -0.605 0.000 1.206 705 A HN 0.493 nan 8.150 nan 0.000 0.470 706 L N 1.816 122.785 121.223 -0.424 0.000 2.360 706 L HA 0.614 4.953 4.340 -0.001 0.000 0.271 706 L C -0.337 176.506 176.870 -0.045 0.000 1.057 706 L CA -0.135 54.561 54.840 -0.241 0.000 0.803 706 L CB 1.990 43.832 42.059 -0.363 0.000 1.207 706 L HN 0.417 nan 8.230 nan 0.000 0.445 707 V N 2.997 122.940 119.914 0.048 0.000 2.380 707 V HA 0.790 4.909 4.120 -0.001 0.000 0.286 707 V C -0.003 176.147 176.094 0.093 0.000 1.015 707 V CA -0.539 61.813 62.300 0.087 0.000 0.834 707 V CB 1.022 32.868 31.823 0.038 0.000 1.009 707 V HN 0.894 nan 8.190 nan 0.000 0.428 708 A N 3.420 126.281 122.820 0.069 0.000 2.312 708 A HA 1.016 5.335 4.320 -0.001 0.000 0.310 708 A C 0.990 178.508 177.584 -0.109 0.000 1.139 708 A CA 0.131 52.148 52.037 -0.035 0.000 0.886 708 A CB 0.795 19.695 19.000 -0.167 0.000 1.350 708 A HN 1.873 nan 8.150 nan 0.000 0.479 709 G N -0.145 108.573 108.800 -0.137 0.000 2.627 709 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.312 709 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.312 709 G C 0.748 175.586 174.900 -0.103 0.000 1.299 709 G CA 1.029 46.041 45.100 -0.148 0.000 0.989 709 G HN 0.873 nan 8.290 nan 0.000 0.547 710 E N 0.422 120.567 120.200 -0.092 0.000 2.085 710 E HA -0.073 4.276 4.350 -0.001 0.000 0.194 710 E C 3.051 179.629 176.600 -0.037 0.000 0.994 710 E CA 1.358 57.723 56.400 -0.059 0.000 0.801 710 E CB -0.335 29.334 29.700 -0.050 0.000 0.743 710 E HN 0.712 nan 8.360 nan 0.000 0.453 711 A N 2.002 124.802 122.820 -0.034 0.000 1.873 711 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 711 A C 2.487 180.070 177.584 -0.002 0.000 1.193 711 A CA 2.206 54.238 52.037 -0.009 0.000 0.629 711 A CB -1.048 17.954 19.000 0.004 0.000 0.826 711 A HN 0.322 nan 8.150 nan 0.000 0.447 712 A N -0.831 121.984 122.820 -0.007 0.000 1.893 712 A HA -0.170 4.150 4.320 -0.001 0.000 0.222 712 A C 2.565 180.156 177.584 0.012 0.000 1.309 712 A CA 3.021 55.062 52.037 0.007 0.000 0.681 712 A CB -1.733 17.264 19.000 -0.004 0.000 0.842 712 A HN 1.077 nan 8.150 nan 0.000 0.468 713 G N -0.698 108.103 108.800 0.003 0.000 2.433 713 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.216 713 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.216 713 G C 1.559 176.463 174.900 0.006 0.000 1.186 713 G CA 1.119 46.224 45.100 0.009 0.000 0.779 713 G HN 0.532 nan 8.290 nan 0.000 0.543 714 I N 0.708 121.280 120.570 0.002 0.000 2.091 714 I HA -0.239 3.930 4.170 -0.001 0.000 0.239 714 I C 2.872 178.992 176.117 0.004 0.000 1.061 714 I CA 1.191 62.493 61.300 0.003 0.000 1.317 714 I CB -0.306 37.696 38.000 0.003 0.000 1.031 714 I HN 0.108 nan 8.210 nan 0.000 0.401 715 M N 0.112 119.716 119.600 0.007 0.000 2.260 715 M HA -0.235 4.244 4.480 -0.001 0.000 0.261 715 M C 2.029 178.328 176.300 -0.002 0.000 1.066 715 M CA 1.580 56.884 55.300 0.007 0.000 1.082 715 M CB -1.323 31.285 32.600 0.012 0.000 1.388 715 M HN 0.315 nan 8.290 nan 0.000 0.419 716 E N 0.179 120.378 120.200 -0.002 0.000 2.204 716 E HA -0.170 4.179 4.350 -0.001 0.000 0.195 716 E C 1.006 177.596 176.600 -0.017 0.000 0.990 716 E CA 0.821 57.214 56.400 -0.012 0.000 0.821 716 E CB -0.243 29.454 29.700 -0.006 0.000 0.750 716 E HN 0.644 nan 8.360 nan 0.000 0.477 717 N N -0.083 118.611 118.700 -0.010 0.000 2.434 717 N HA 0.101 4.840 4.740 -0.001 0.000 0.196 717 N C -0.461 175.043 175.510 -0.010 0.000 1.183 717 N CA 0.122 53.165 53.050 -0.011 0.000 0.849 717 N CB 0.400 38.883 38.487 -0.007 0.000 0.992 717 N HN 0.036 nan 8.380 nan 0.000 0.460 718 I N 0.166 120.730 120.570 -0.011 0.000 2.441 718 I HA 0.192 4.362 4.170 -0.001 0.000 0.295 718 I C 0.357 176.464 176.117 -0.016 0.000 0.994 718 I CA -1.094 60.201 61.300 -0.009 0.000 1.144 718 I CB 1.689 39.688 38.000 -0.001 0.000 1.314 718 I HN 0.003 nan 8.210 nan 0.000 0.445 719 S N 2.455 118.146 115.700 -0.016 0.000 2.573 719 S HA 0.022 4.491 4.470 -0.001 0.000 0.277 719 S C 0.604 175.188 174.600 -0.027 0.000 1.346 719 S CA -0.330 57.856 58.200 -0.022 0.000 1.034 719 S CB 0.900 64.089 63.200 -0.018 0.000 0.879 719 S HN 0.626 nan 8.310 nan 0.000 0.528 720 D N 1.453 121.830 120.400 -0.038 0.000 2.133 720 D HA -0.129 4.510 4.640 -0.001 0.000 0.192 720 D C 1.478 177.756 176.300 -0.037 0.000 1.001 720 D CA 1.886 55.858 54.000 -0.048 0.000 0.844 720 D CB -0.303 40.459 40.800 -0.063 0.000 0.944 720 D HN 0.679 nan 8.370 nan 0.000 0.447 721 D N -0.229 120.153 120.400 -0.030 0.000 2.116 721 D HA -0.125 4.514 4.640 -0.001 0.000 0.193 721 D C 2.286 178.581 176.300 -0.008 0.000 0.998 721 D CA 0.830 54.818 54.000 -0.020 0.000 0.836 721 D CB -0.322 40.469 40.800 -0.015 0.000 0.951 721 D HN 0.125 nan 8.370 nan 0.000 0.449 722 V N 1.285 121.196 119.914 -0.005 0.000 2.307 722 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 722 V C 2.517 178.617 176.094 0.010 0.000 1.045 722 V CA 1.077 63.379 62.300 0.004 0.000 1.024 722 V CB -0.434 31.392 31.823 0.004 0.000 0.651 722 V HN 0.096 nan 8.190 nan 0.000 0.449 723 I N 0.079 120.650 120.570 0.002 0.000 2.264 723 I HA -0.181 3.988 4.170 -0.001 0.000 0.248 723 I C 2.149 178.275 176.117 0.014 0.000 1.111 723 I CA 1.612 62.916 61.300 0.006 0.000 1.382 723 I CB -0.206 37.788 38.000 -0.010 0.000 1.060 723 I HN 0.075 nan 8.210 nan 0.000 0.418 724 V N 1.020 120.936 119.914 0.002 0.000 2.323 724 V HA -0.132 3.988 4.120 -0.001 0.000 0.244 724 V C 2.645 178.763 176.094 0.041 0.000 1.041 724 V CA 1.827 64.133 62.300 0.011 0.000 1.025 724 V CB -1.816 29.994 31.823 -0.020 0.000 0.656 724 V HN 0.567 nan 8.190 nan 0.000 0.451 725 G N 0.054 108.872 108.800 0.030 0.000 2.469 725 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 725 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 725 G C 1.747 176.677 174.900 0.049 0.000 1.150 725 G CA 0.961 46.083 45.100 0.037 0.000 0.763 725 G HN 0.448 nan 8.290 nan 0.000 0.561 726 R N -0.858 119.672 120.500 0.050 0.000 2.120 726 R HA -0.022 4.317 4.340 -0.001 0.000 0.234 726 R C 2.650 179.001 176.300 0.085 0.000 1.123 726 R CA 1.031 57.167 56.100 0.060 0.000 0.975 726 R CB -0.665 29.670 30.300 0.059 0.000 0.866 726 R HN 0.386 nan 8.270 nan 0.000 0.446 727 C N 0.743 120.112 119.300 0.116 0.000 2.432 727 C HA -0.066 4.393 4.460 -0.001 0.000 0.277 727 C C 2.543 177.643 174.990 0.183 0.000 1.249 727 C CA 0.720 59.866 59.018 0.213 0.000 1.725 727 C CB -0.831 27.049 27.740 0.233 0.000 2.028 727 C HN 0.437 nan 8.230 nan 0.000 0.477 728 L N 0.841 122.147 121.223 0.137 0.000 2.046 728 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 728 L C 2.863 179.760 176.870 0.046 0.000 1.077 728 L CA 1.538 56.441 54.840 0.106 0.000 0.747 728 L CB -0.938 41.176 42.059 0.092 0.000 0.896 728 L HN 0.354 nan 8.230 nan 0.000 0.432 729 A N 0.984 123.828 122.820 0.041 0.000 1.849 729 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 729 A C 2.184 179.766 177.584 -0.003 0.000 1.202 729 A CA 1.922 53.969 52.037 0.018 0.000 0.629 729 A CB -0.695 18.320 19.000 0.026 0.000 0.834 729 A HN 0.256 nan 8.150 nan 0.000 0.447 730 I N -0.067 120.492 120.570 -0.018 0.000 2.068 730 I HA -0.265 3.904 4.170 -0.001 0.000 0.238 730 I C 2.505 178.573 176.117 -0.081 0.000 1.046 730 I CA 1.430 62.668 61.300 -0.103 0.000 1.306 730 I CB -1.660 36.265 38.000 -0.125 0.000 1.023 730 I HN 0.203 nan 8.210 nan 0.000 0.399 731 L N 0.631 121.823 121.223 -0.052 0.000 1.990 731 L HA -0.234 4.105 4.340 -0.001 0.000 0.213 731 L C 2.556 179.475 176.870 0.082 0.000 1.072 731 L CA 1.912 56.766 54.840 0.024 0.000 0.755 731 L CB -1.493 40.603 42.059 0.062 0.000 0.889 731 L HN 0.339 nan 8.230 nan 0.000 0.432 732 K N -0.735 119.658 120.400 -0.012 0.000 2.063 732 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 732 K C 2.041 178.624 176.600 -0.030 0.000 1.048 732 K CA 1.301 57.563 56.287 -0.041 0.000 0.928 732 K CB -0.495 31.971 32.500 -0.056 0.000 0.713 732 K HN 0.468 nan 8.250 nan 0.000 0.442 733 G N 1.368 110.147 108.800 -0.036 0.000 2.422 733 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.218 733 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.218 733 G C 1.371 176.207 174.900 -0.108 0.000 1.146 733 G CA 0.607 45.681 45.100 -0.044 0.000 0.769 733 G HN 0.073 nan 8.290 nan 0.000 0.547 734 I N -0.086 120.363 120.570 -0.202 0.000 2.193 734 I HA 0.074 4.243 4.170 -0.001 0.000 0.240 734 I C 2.171 177.880 176.117 -0.680 0.000 1.084 734 I CA 0.907 61.865 61.300 -0.570 0.000 1.365 734 I CB -1.235 36.142 38.000 -1.038 0.000 1.064 734 I HN 0.143 nan 8.210 nan 0.000 0.410 735 F N 0.772 120.590 119.950 -0.221 0.000 2.721 735 F HA 0.482 5.008 4.527 -0.001 0.000 0.301 735 F C 1.249 176.968 175.800 -0.136 0.000 1.096 735 F CA 0.302 58.210 58.000 -0.152 0.000 1.308 735 F CB -0.095 38.849 39.000 -0.093 0.000 1.086 735 F HN 0.184 nan 8.300 nan 0.000 0.587 736 G N 1.124 109.923 108.800 -0.001 0.000 2.879 736 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.686 736 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.686 736 G C -0.075 174.788 174.900 -0.062 0.000 1.115 736 G CA -0.684 44.397 45.100 -0.032 0.000 0.770 736 G HN 0.410 nan 8.290 nan 0.000 0.601 737 S N 1.011 116.674 115.700 -0.063 0.000 2.576 737 S HA 0.604 5.073 4.470 -0.001 0.000 0.272 737 S C 1.680 176.228 174.600 -0.088 0.000 1.352 737 S CA 1.074 59.225 58.200 -0.081 0.000 1.021 737 S CB 1.504 64.673 63.200 -0.052 0.000 0.887 737 S HN 2.926 nan 8.310 nan 0.000 0.542 738 S N 0.119 115.757 115.700 -0.103 0.000 1.961 738 S HA -0.284 4.185 4.470 -0.001 0.000 0.239 738 S C 1.250 175.771 174.600 -0.132 0.000 1.051 738 S CA 1.338 59.483 58.200 -0.093 0.000 1.476 738 S CB -2.239 60.925 63.200 -0.060 0.000 1.861 738 S HN 2.086 nan 8.310 nan 0.000 0.559 739 A N 0.922 123.637 122.820 -0.174 0.000 2.081 739 A HA 0.647 4.966 4.320 -0.001 0.000 0.214 739 A C 0.874 178.130 177.584 -0.547 0.000 1.158 739 A CA 1.101 53.004 52.037 -0.224 0.000 0.724 739 A CB 0.176 19.104 19.000 -0.120 0.000 0.826 739 A HN 1.216 nan 8.150 nan 0.000 0.463 740 V N 3.269 122.811 119.914 -0.620 0.000 2.311 740 V HA 0.294 4.413 4.120 -0.001 0.000 0.275 740 V C -2.227 173.593 176.094 -0.458 0.000 1.022 740 V CA -1.596 60.108 62.300 -0.994 0.000 0.830 740 V CB 1.101 32.459 31.823 -0.776 0.000 1.012 740 V HN 0.337 nan 8.190 nan 0.000 0.452 741 P HA 0.319 nan 4.420 nan 0.000 0.279 741 P C -0.884 176.519 177.300 0.172 0.000 1.276 741 P CA -0.686 62.395 63.100 -0.031 0.000 0.801 741 P CB 1.005 32.727 31.700 0.037 0.000 1.127 742 Q N 0.183 120.084 119.800 0.169 0.000 2.327 742 Q HA 0.300 4.639 4.340 -0.001 0.000 0.254 742 Q C -2.010 174.132 176.000 0.236 0.000 0.952 742 Q CA -1.522 54.391 55.803 0.184 0.000 0.884 742 Q CB -0.519 28.273 28.738 0.089 0.000 1.224 742 Q HN 0.300 nan 8.270 nan 0.000 0.422 743 P HA 0.080 nan 4.420 nan 0.000 0.271 743 P C 0.275 177.524 177.300 -0.085 0.000 1.226 743 P CA -0.022 62.986 63.100 -0.153 0.000 0.765 743 P CB 0.677 32.174 31.700 -0.339 0.000 0.835 744 K N 1.606 121.960 120.400 -0.077 0.000 2.228 744 K HA 0.023 4.342 4.320 -0.001 0.000 0.202 744 K C 0.394 176.930 176.600 -0.106 0.000 1.051 744 K CA 1.091 57.353 56.287 -0.041 0.000 0.960 744 K CB 0.327 32.839 32.500 0.020 0.000 0.743 744 K HN 0.564 nan 8.250 nan 0.000 0.458 745 E N 0.731 120.797 120.200 -0.223 0.000 2.343 745 E HA 0.184 4.534 4.350 -0.001 0.000 0.278 745 E C -1.029 175.362 176.600 -0.349 0.000 0.910 745 E CA -0.370 55.878 56.400 -0.254 0.000 0.757 745 E CB 2.487 32.021 29.700 -0.276 0.000 1.218 745 E HN 0.075 nan 8.360 nan 0.000 0.435 746 T N -1.921 112.445 114.554 -0.315 0.000 2.952 746 T HA 0.633 4.982 4.350 -0.001 0.000 0.305 746 T C -0.617 173.874 174.700 -0.349 0.000 1.064 746 T CA -0.716 61.187 62.100 -0.328 0.000 1.008 746 T CB 1.306 70.042 68.868 -0.221 0.000 1.078 746 T HN 0.112 nan 8.240 nan 0.000 0.459 747 V N 2.455 122.135 119.914 -0.389 0.000 2.531 747 V HA 0.687 4.806 4.120 -0.001 0.000 0.301 747 V C -0.606 175.347 176.094 -0.235 0.000 1.034 747 V CA -0.835 61.251 62.300 -0.357 0.000 0.865 747 V CB 1.767 33.273 31.823 -0.529 0.000 0.995 747 V HN 0.920 nan 8.190 nan 0.000 0.424 748 V N 3.694 123.497 119.914 -0.184 0.000 2.443 748 V HA 0.504 4.624 4.120 -0.001 0.000 0.293 748 V C 0.314 176.310 176.094 -0.164 0.000 1.021 748 V CA -0.435 61.778 62.300 -0.145 0.000 0.848 748 V CB 2.045 33.800 31.823 -0.113 0.000 0.998 748 V HN 1.016 nan 8.190 nan 0.000 0.424 749 S N 5.170 120.768 115.700 -0.170 0.000 2.610 749 S HA 0.661 5.130 4.470 -0.001 0.000 0.273 749 S C -0.057 174.411 174.600 -0.220 0.000 1.274 749 S CA -0.731 57.293 58.200 -0.294 0.000 1.023 749 S CB 1.134 64.120 63.200 -0.357 0.000 0.962 749 S HN 0.712 nan 8.310 nan 0.000 0.523 750 R N 1.354 121.672 120.500 -0.304 0.000 2.655 750 R HA 0.178 4.517 4.340 -0.001 0.000 0.261 750 R C -0.474 175.761 176.300 -0.107 0.000 1.624 750 R CA -0.247 55.772 56.100 -0.136 0.000 1.655 750 R CB 0.007 30.241 30.300 -0.111 0.000 1.356 750 R HN 0.857 nan 8.270 nan 0.000 0.684 751 W N 0.452 121.756 121.300 0.007 0.000 2.350 751 W HA -0.163 4.496 4.660 -0.002 0.000 0.289 751 W C 2.280 178.819 176.519 0.033 0.000 1.215 751 W CA 0.709 58.071 57.345 0.028 0.000 1.236 751 W CB 0.055 29.536 29.460 0.034 0.000 1.130 751 W HN 0.296 nan 8.180 nan 0.000 0.541 752 R N 0.930 121.566 120.500 0.227 0.000 2.062 752 R HA -0.052 4.288 4.340 -0.001 0.000 0.229 752 R C 2.180 178.529 176.300 0.082 0.000 1.128 752 R CA 1.914 58.105 56.100 0.152 0.000 0.960 752 R CB -1.106 29.252 30.300 0.096 0.000 0.855 752 R HN 0.030 nan 8.270 nan 0.000 0.432 753 A N 0.526 123.364 122.820 0.030 0.000 1.972 753 A HA -0.112 4.207 4.320 -0.001 0.000 0.219 753 A C 0.682 178.225 177.584 -0.069 0.000 1.169 753 A CA 1.067 53.086 52.037 -0.030 0.000 0.635 753 A CB -0.729 18.240 19.000 -0.052 0.000 0.810 753 A HN 0.425 nan 8.150 nan 0.000 0.446 754 D N 0.517 120.893 120.400 -0.041 0.000 2.402 754 D HA 0.017 4.656 4.640 -0.001 0.000 0.268 754 D C -1.178 175.049 176.300 -0.122 0.000 1.294 754 D CA -1.381 52.575 54.000 -0.073 0.000 0.945 754 D CB 0.925 41.754 40.800 0.048 0.000 1.112 754 D HN 0.211 nan 8.370 nan 0.000 0.517 755 P HA -0.140 nan 4.420 nan 0.000 0.220 755 P C 0.857 177.885 177.300 -0.454 0.000 1.148 755 P CA 1.035 63.795 63.100 -0.566 0.000 0.803 755 P CB -0.144 30.953 31.700 -1.005 0.000 0.782 756 W N -0.657 120.691 121.300 0.080 0.000 3.405 756 W HA 0.413 5.072 4.660 -0.001 0.000 0.300 756 W C 1.693 178.298 176.519 0.142 0.000 1.286 756 W CA -0.107 57.292 57.345 0.090 0.000 1.762 756 W CB 0.029 29.540 29.460 0.085 0.000 1.087 756 W HN 0.056 nan 8.180 nan 0.000 0.703 757 A N -0.311 122.685 122.820 0.292 0.000 1.808 757 A HA 0.294 4.613 4.320 -0.001 0.000 0.190 757 A C 1.193 178.946 177.584 0.281 0.000 1.822 757 A CA -0.207 52.034 52.037 0.340 0.000 1.090 757 A CB 0.280 19.613 19.000 0.555 0.000 1.004 757 A HN -0.038 nan 8.150 nan 0.000 0.602 758 R N -0.279 120.381 120.500 0.267 0.000 3.407 758 R HA -0.087 4.252 4.340 -0.001 0.000 0.277 758 R C 0.305 176.866 176.300 0.436 0.000 1.119 758 R CA 1.242 57.480 56.100 0.231 0.000 0.750 758 R CB -2.552 27.803 30.300 0.091 0.000 1.258 758 R HN 2.315 nan 8.270 nan 0.000 0.432 759 G N -2.181 106.867 108.800 0.413 0.000 2.340 759 G HA2 0.015 3.974 3.960 -0.001 0.000 0.527 759 G HA3 0.015 3.974 3.960 -0.001 0.000 0.527 759 G C 0.484 175.328 174.900 -0.094 0.000 1.381 759 G CA 0.343 45.549 45.100 0.176 0.000 1.001 759 G HN 0.394 nan 8.290 nan 0.000 0.626 760 S N -0.770 114.660 115.700 -0.449 0.000 2.341 760 S HA 0.525 4.994 4.470 -0.001 0.000 0.216 760 S C 0.749 175.106 174.600 -0.405 0.000 1.034 760 S CA 1.977 59.885 58.200 -0.487 0.000 0.964 760 S CB -0.180 62.732 63.200 -0.480 0.000 0.882 760 S HN 2.135 nan 8.310 nan 0.000 0.469 761 Y N 0.128 119.959 120.300 -0.783 0.000 2.702 761 Y HA 0.661 5.210 4.550 -0.002 0.000 0.336 761 Y C -0.278 175.316 175.900 -0.510 0.000 1.203 761 Y CA -1.418 56.328 58.100 -0.590 0.000 1.072 761 Y CB 0.248 38.585 38.460 -0.204 0.000 1.327 761 Y HN 0.213 nan 8.280 nan 0.000 0.456 762 S N 0.899 116.686 115.700 0.145 0.000 2.587 762 S HA 0.564 5.033 4.470 -0.001 0.000 0.260 762 S C -0.885 173.938 174.600 0.372 0.000 1.353 762 S CA 0.429 58.795 58.200 0.277 0.000 0.995 762 S CB 0.396 63.825 63.200 0.380 0.000 0.912 762 S HN 1.475 nan 8.310 nan 0.000 0.568 763 Y N -2.831 117.618 120.300 0.250 0.000 2.565 763 Y HA 0.541 5.090 4.550 -0.001 0.000 0.330 763 Y C -1.413 174.662 175.900 0.291 0.000 1.150 763 Y CA -1.638 56.614 58.100 0.255 0.000 1.055 763 Y CB 0.315 38.852 38.460 0.128 0.000 1.337 763 Y HN 0.452 nan 8.280 nan 0.000 0.457 764 V N 3.732 123.939 119.914 0.489 0.000 2.403 764 V HA 0.509 4.628 4.120 -0.001 0.000 0.265 764 V C 0.887 177.230 176.094 0.415 0.000 1.034 764 V CA 0.388 62.923 62.300 0.393 0.000 1.036 764 V CB -0.481 31.562 31.823 0.367 0.000 1.032 764 V HN 0.975 nan 8.190 nan 0.000 0.478 765 A N 4.835 127.780 122.820 0.208 0.000 2.332 765 A HA 0.743 5.062 4.320 -0.001 0.000 0.258 765 A C 0.784 178.499 177.584 0.219 0.000 1.087 765 A CA -0.032 52.164 52.037 0.266 0.000 0.802 765 A CB 0.476 19.510 19.000 0.056 0.000 1.042 765 A HN 1.283 nan 8.150 nan 0.000 0.489 766 A N 0.251 123.186 122.820 0.192 0.000 2.484 766 A HA 0.498 4.817 4.320 -0.001 0.000 0.268 766 A C 1.379 179.019 177.584 0.094 0.000 1.114 766 A CA 0.728 52.839 52.037 0.124 0.000 0.780 766 A CB -1.052 17.989 19.000 0.070 0.000 1.061 766 A HN 2.638 nan 8.150 nan 0.000 0.505 767 G N 1.101 109.962 108.800 0.102 0.000 2.284 767 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.201 767 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.201 767 G C 0.622 175.570 174.900 0.080 0.000 0.998 767 G CA 0.482 45.626 45.100 0.073 0.000 0.651 767 G HN 1.528 nan 8.290 nan 0.000 0.489 768 S N -0.455 115.307 115.700 0.103 0.000 2.768 768 S HA 0.914 5.383 4.470 -0.001 0.000 0.300 768 S C 0.257 174.923 174.600 0.110 0.000 1.122 768 S CA 1.053 59.298 58.200 0.076 0.000 0.995 768 S CB 1.784 65.008 63.200 0.040 0.000 1.195 768 S HN 1.980 nan 8.310 nan 0.000 0.547 769 S N -0.773 114.945 115.700 0.030 0.000 2.636 769 S HA 0.517 4.987 4.470 -0.001 0.000 0.268 769 S C 0.856 175.447 174.600 -0.014 0.000 1.159 769 S CA -0.173 57.935 58.200 -0.153 0.000 0.815 769 S CB 0.503 63.443 63.200 -0.433 0.000 1.130 769 S HN 1.104 nan 8.310 nan 0.000 0.471 770 G N 0.526 109.249 108.800 -0.129 0.000 2.535 770 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 770 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 770 G C 0.918 175.860 174.900 0.070 0.000 1.122 770 G CA 0.859 45.955 45.100 -0.007 0.000 0.769 770 G HN 0.733 nan 8.290 nan 0.000 0.549 771 N N 0.324 119.023 118.700 -0.003 0.000 2.396 771 N HA -0.019 4.720 4.740 -0.001 0.000 0.180 771 N C 1.317 176.853 175.510 0.042 0.000 1.028 771 N CA 0.741 53.795 53.050 0.007 0.000 0.893 771 N CB 0.086 38.556 38.487 -0.030 0.000 0.967 771 N HN 0.108 nan 8.380 nan 0.000 0.440 772 D N -1.083 119.350 120.400 0.056 0.000 2.277 772 D HA -0.078 4.562 4.640 -0.001 0.000 0.208 772 D C 1.063 177.329 176.300 -0.055 0.000 0.962 772 D CA 0.721 54.710 54.000 -0.018 0.000 0.865 772 D CB -0.150 40.597 40.800 -0.087 0.000 0.939 772 D HN 0.433 nan 8.370 nan 0.000 0.510 773 Y N 1.050 121.323 120.300 -0.045 0.000 2.314 773 Y HA -0.098 4.451 4.550 -0.001 0.000 0.293 773 Y C 2.016 177.885 175.900 -0.051 0.000 1.129 773 Y CA 0.737 58.808 58.100 -0.048 0.000 1.201 773 Y CB 0.162 38.591 38.460 -0.051 0.000 0.999 773 Y HN -0.107 nan 8.280 nan 0.000 0.541 774 D N -0.021 120.445 120.400 0.110 0.000 2.103 774 D HA -0.121 4.518 4.640 -0.001 0.000 0.199 774 D C 2.209 178.538 176.300 0.047 0.000 0.978 774 D CA 1.043 55.077 54.000 0.055 0.000 0.829 774 D CB -0.460 40.358 40.800 0.028 0.000 0.981 774 D HN 0.264 nan 8.370 nan 0.000 0.464 775 L N 0.270 121.524 121.223 0.052 0.000 2.127 775 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 775 L C 2.507 179.442 176.870 0.108 0.000 1.089 775 L CA 0.691 55.612 54.840 0.135 0.000 0.757 775 L CB -0.296 41.856 42.059 0.154 0.000 0.899 775 L HN 0.079 nan 8.230 nan 0.000 0.434 776 M N -0.513 119.055 119.600 -0.053 0.000 2.064 776 M HA -0.151 4.328 4.480 -0.001 0.000 0.260 776 M C 2.627 178.840 176.300 -0.145 0.000 1.073 776 M CA 2.062 57.235 55.300 -0.212 0.000 1.124 776 M CB -1.202 31.253 32.600 -0.241 0.000 1.326 776 M HN 0.287 nan 8.290 nan 0.000 0.410 777 A N -0.330 122.474 122.820 -0.027 0.000 2.076 777 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 777 A C 1.230 178.906 177.584 0.153 0.000 1.160 777 A CA 0.837 52.917 52.037 0.072 0.000 0.653 777 A CB -0.634 18.404 19.000 0.064 0.000 0.801 777 A HN 0.482 nan 8.150 nan 0.000 0.455 778 Q N 0.392 120.280 119.800 0.147 0.000 2.239 778 Q HA 0.132 4.471 4.340 -0.001 0.000 0.286 778 Q C -2.380 173.792 176.000 0.286 0.000 1.102 778 Q CA -1.520 54.407 55.803 0.206 0.000 0.936 778 Q CB 0.085 28.964 28.738 0.234 0.000 1.127 778 Q HN 0.287 nan 8.270 nan 0.000 0.380 779 P HA 0.082 nan 4.420 nan 0.000 0.270 779 P C -0.428 176.924 177.300 0.088 0.000 1.223 779 P CA -0.086 63.043 63.100 0.048 0.000 0.785 779 P CB 0.642 32.244 31.700 -0.163 0.000 0.923 780 I N 1.525 122.068 120.570 -0.044 0.000 2.362 780 I HA 0.278 4.447 4.170 -0.001 0.000 0.289 780 I C 0.566 176.662 176.117 -0.035 0.000 0.994 780 I CA -0.155 61.156 61.300 0.018 0.000 1.158 780 I CB 0.900 38.846 38.000 -0.091 0.000 1.315 780 I HN 0.341 nan 8.210 nan 0.000 0.451 781 T N 5.881 120.486 114.554 0.085 0.000 2.885 781 T HA 0.820 5.169 4.350 -0.001 0.000 0.285 781 T C -2.372 172.432 174.700 0.173 0.000 1.019 781 T CA -1.275 60.884 62.100 0.098 0.000 1.010 781 T CB 2.412 71.315 68.868 0.058 0.000 1.022 781 T HN 0.405 nan 8.240 nan 0.000 0.466 793 I N 2.153 122.744 120.570 0.036 0.000 2.571 793 I HA 0.478 4.647 4.170 -0.001 0.000 0.289 793 I C -2.925 173.231 176.117 0.065 0.000 1.115 793 I CA -2.637 58.679 61.300 0.027 0.000 1.045 793 I CB 2.459 40.458 38.000 -0.002 0.000 1.238 793 I HN -0.269 nan 8.210 nan 0.000 0.424 794 P HA 0.202 nan 4.420 nan 0.000 0.260 794 P C -0.345 176.989 177.300 0.057 0.000 1.185 794 P CA 0.243 63.331 63.100 -0.019 0.000 0.763 794 P CB 0.614 32.311 31.700 -0.005 0.000 0.776 795 R N 3.044 123.496 120.500 -0.079 0.000 2.144 795 R HA 0.272 4.612 4.340 -0.001 0.000 0.195 795 R C 0.157 176.373 176.300 -0.140 0.000 1.077 795 R CA 0.182 56.338 56.100 0.093 0.000 1.120 795 R CB -0.408 30.007 30.300 0.192 0.000 1.060 795 R HN 0.296 nan 8.270 nan 0.000 0.520 796 L N 1.650 122.620 121.223 -0.423 0.000 2.276 796 L HA 0.482 4.821 4.340 -0.001 0.000 0.286 796 L C -1.421 174.995 176.870 -0.757 0.000 1.061 796 L CA -0.106 54.437 54.840 -0.495 0.000 0.807 796 L CB 0.646 42.328 42.059 -0.627 0.000 1.177 796 L HN -0.064 nan 8.230 nan 0.000 0.429 797 F N 4.776 124.507 119.950 -0.365 0.000 2.546 797 F HA 0.609 5.135 4.527 -0.002 0.000 0.320 797 F C -0.570 174.926 175.800 -0.506 0.000 1.076 797 F CA -0.552 57.292 58.000 -0.261 0.000 0.928 797 F CB 1.471 40.411 39.000 -0.099 0.000 1.189 797 F HN 0.200 nan 8.300 nan 0.000 0.465 798 F N 1.351 121.374 119.950 0.121 0.000 2.508 798 F HA 0.834 5.360 4.527 -0.001 0.000 0.325 798 F C 0.154 175.962 175.800 0.013 0.000 1.090 798 F CA -0.810 57.212 58.000 0.037 0.000 0.945 798 F CB 1.810 40.784 39.000 -0.044 0.000 1.156 798 F HN 0.620 nan 8.300 nan 0.000 0.463 799 A N 1.191 124.097 122.820 0.144 0.000 2.593 799 A HA 0.971 5.290 4.320 -0.001 0.000 0.290 799 A C -0.398 177.208 177.584 0.036 0.000 1.126 799 A CA -0.347 51.723 52.037 0.054 0.000 0.695 799 A CB 1.623 20.643 19.000 0.034 0.000 1.290 799 A HN 1.683 nan 8.150 nan 0.000 0.414 800 G N -0.242 108.568 108.800 0.015 0.000 2.428 800 G HA2 0.416 4.375 3.960 -0.001 0.000 0.681 800 G HA3 0.416 4.375 3.960 -0.001 0.000 0.681 800 G C 0.066 175.016 174.900 0.082 0.000 1.340 800 G CA 0.758 45.917 45.100 0.098 0.000 0.915 800 G HN 1.961 nan 8.290 nan 0.000 0.645 801 E N -0.139 120.173 120.200 0.186 0.000 2.208 801 E HA -0.323 4.026 4.350 -0.001 0.000 0.202 801 E C 1.652 178.417 176.600 0.275 0.000 1.014 801 E CA 2.632 59.141 56.400 0.183 0.000 0.819 801 E CB -0.408 29.388 29.700 0.159 0.000 0.735 801 E HN 0.999 nan 8.360 nan 0.000 0.469 802 H N -0.263 118.905 119.070 0.163 0.000 2.536 802 H HA 0.228 4.783 4.556 -0.002 0.000 0.276 802 H C 0.835 176.199 175.328 0.060 0.000 1.019 802 H CA 1.171 57.288 56.048 0.115 0.000 1.159 802 H CB -0.280 29.488 29.762 0.010 0.000 1.373 802 H HN 0.403 nan 8.280 nan 0.000 0.584 803 T N -2.556 111.861 114.554 -0.228 0.000 3.003 803 T HA 0.204 4.553 4.350 -0.001 0.000 0.261 803 T C 0.623 175.344 174.700 0.035 0.000 1.003 803 T CA -0.335 61.663 62.100 -0.170 0.000 0.917 803 T CB 0.169 68.891 68.868 -0.245 0.000 1.084 803 T HN 0.140 nan 8.240 nan 0.000 0.522 804 I N 3.374 124.005 120.570 0.102 0.000 2.377 804 I HA 0.426 4.595 4.170 -0.001 0.000 0.282 804 I C 1.420 177.553 176.117 0.027 0.000 1.091 804 I CA -0.831 60.517 61.300 0.079 0.000 1.207 804 I CB 0.635 38.682 38.000 0.079 0.000 1.429 804 I HN 0.232 nan 8.210 nan 0.000 0.491 805 R N 4.722 125.211 120.500 -0.018 0.000 2.140 805 R HA -0.229 4.110 4.340 -0.001 0.000 0.250 805 R C 0.759 176.783 176.300 -0.459 0.000 1.150 805 R CA 2.266 58.212 56.100 -0.257 0.000 0.966 805 R CB 0.189 30.403 30.300 -0.143 0.000 0.869 805 R HN 0.584 nan 8.270 nan 0.000 0.445 806 N N -0.949 117.436 118.700 -0.525 0.000 2.446 806 N HA -0.065 4.674 4.740 -0.001 0.000 0.179 806 N C -0.295 174.612 175.510 -1.006 0.000 1.054 806 N CA 0.871 53.299 53.050 -1.037 0.000 0.905 806 N CB 0.363 37.789 38.487 -1.768 0.000 0.973 806 N HN 0.334 nan 8.380 nan 0.000 0.448 807 Y N -0.028 120.120 120.300 -0.254 0.000 2.614 807 Y HA 0.333 4.882 4.550 -0.001 0.000 0.296 807 Y C -2.343 173.457 175.900 -0.167 0.000 0.942 807 Y CA -2.076 55.939 58.100 -0.142 0.000 1.111 807 Y CB 0.796 39.263 38.460 0.013 0.000 1.182 807 Y HN -0.065 nan 8.280 nan 0.000 0.624 808 P HA 0.138 nan 4.420 nan 0.000 0.272 808 P C 0.539 177.838 177.300 -0.001 0.000 1.230 808 P CA 0.719 63.814 63.100 -0.008 0.000 0.788 808 P CB 1.688 33.293 31.700 -0.159 0.000 0.949 809 A N 0.253 123.124 122.820 0.085 0.000 2.832 809 A HA -0.134 4.185 4.320 -0.001 0.000 0.280 809 A C 0.515 177.925 177.584 -0.291 0.000 1.464 809 A CA 1.532 53.563 52.037 -0.010 0.000 0.804 809 A CB -2.856 16.223 19.000 0.131 0.000 1.020 809 A HN 0.846 nan 8.150 nan 0.000 0.563 810 T N -5.167 109.231 114.554 -0.260 0.000 2.883 810 T HA 0.634 4.983 4.350 -0.001 0.000 0.296 810 T C 0.886 175.416 174.700 -0.283 0.000 1.117 810 T CA -0.203 61.675 62.100 -0.370 0.000 1.006 810 T CB 1.675 70.157 68.868 -0.643 0.000 1.191 810 T HN 0.724 nan 8.240 nan 0.000 0.508 811 V N 1.703 121.496 119.914 -0.200 0.000 2.295 811 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 811 V C 2.755 178.834 176.094 -0.025 0.000 1.049 811 V CA 2.238 64.467 62.300 -0.117 0.000 1.024 811 V CB -1.224 30.526 31.823 -0.121 0.000 0.648 811 V HN 1.067 nan 8.190 nan 0.000 0.447 812 H N -0.124 118.994 119.070 0.079 0.000 2.423 812 H HA -0.015 4.540 4.556 -0.001 0.000 0.297 812 H C 2.310 177.651 175.328 0.023 0.000 1.075 812 H CA 1.550 57.641 56.048 0.071 0.000 1.342 812 H CB -0.680 29.172 29.762 0.149 0.000 1.395 812 H HN 0.379 nan 8.280 nan 0.000 0.530 813 G N 1.311 109.918 108.800 -0.322 0.000 2.433 813 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 813 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 813 G C 2.065 176.946 174.900 -0.032 0.000 1.186 813 G CA 1.730 46.766 45.100 -0.106 0.000 0.779 813 G HN 0.627 nan 8.290 nan 0.000 0.543 814 A N 0.519 123.311 122.820 -0.047 0.000 1.873 814 A HA -0.060 4.259 4.320 -0.001 0.000 0.218 814 A C 2.407 179.984 177.584 -0.011 0.000 1.193 814 A CA 1.913 53.944 52.037 -0.009 0.000 0.629 814 A CB -0.676 18.313 19.000 -0.018 0.000 0.826 814 A HN 0.447 nan 8.150 nan 0.000 0.447 815 L N -0.160 121.059 121.223 -0.007 0.000 1.978 815 L HA -0.223 4.117 4.340 -0.001 0.000 0.218 815 L C 2.491 179.328 176.870 -0.055 0.000 1.075 815 L CA 2.183 57.018 54.840 -0.009 0.000 0.767 815 L CB -0.532 41.546 42.059 0.031 0.000 0.890 815 L HN 0.470 nan 8.230 nan 0.000 0.434 816 L N -0.839 120.342 121.223 -0.070 0.000 2.012 816 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 816 L C 2.685 179.519 176.870 -0.061 0.000 1.073 816 L CA 1.611 56.386 54.840 -0.108 0.000 0.748 816 L CB -1.076 40.908 42.059 -0.124 0.000 0.891 816 L HN 0.550 nan 8.230 nan 0.000 0.431 817 S N -0.013 115.674 115.700 -0.021 0.000 2.419 817 S HA -0.141 4.328 4.470 -0.001 0.000 0.235 817 S C 1.997 176.587 174.600 -0.018 0.000 1.019 817 S CA 1.035 59.232 58.200 -0.004 0.000 0.982 817 S CB -1.024 62.180 63.200 0.007 0.000 0.789 817 S HN 0.466 nan 8.310 nan 0.000 0.490 818 G N 2.403 111.182 108.800 -0.035 0.000 2.464 818 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.214 818 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.214 818 G C 1.446 176.303 174.900 -0.072 0.000 1.218 818 G CA 0.843 45.914 45.100 -0.049 0.000 0.794 818 G HN 0.501 nan 8.290 nan 0.000 0.542 819 L N 0.220 121.385 121.223 -0.096 0.000 2.089 819 L HA -0.177 4.162 4.340 -0.001 0.000 0.213 819 L C 2.916 179.734 176.870 -0.086 0.000 1.079 819 L CA 1.635 56.404 54.840 -0.118 0.000 0.758 819 L CB -0.579 41.360 42.059 -0.200 0.000 0.891 819 L HN 0.233 nan 8.230 nan 0.000 0.433 820 R N 0.375 120.838 120.500 -0.062 0.000 2.103 820 R HA -0.194 4.145 4.340 -0.001 0.000 0.234 820 R C 2.306 178.591 176.300 -0.024 0.000 1.132 820 R CA 1.870 57.956 56.100 -0.024 0.000 0.925 820 R CB -0.084 30.221 30.300 0.008 0.000 0.842 820 R HN 0.307 nan 8.270 nan 0.000 0.430 821 E N 0.290 120.477 120.200 -0.021 0.000 2.106 821 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 821 E C 1.926 178.455 176.600 -0.119 0.000 0.984 821 E CA 1.171 57.547 56.400 -0.040 0.000 0.806 821 E CB -0.408 29.279 29.700 -0.023 0.000 0.750 821 E HN 0.486 nan 8.360 nan 0.000 0.458 822 A N 1.370 124.127 122.820 -0.106 0.000 1.892 822 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 822 A C 2.508 180.089 177.584 -0.004 0.000 1.188 822 A CA 2.313 54.293 52.037 -0.095 0.000 0.631 822 A CB -1.259 17.667 19.000 -0.123 0.000 0.822 822 A HN 0.355 nan 8.150 nan 0.000 0.447 823 G N -0.720 108.061 108.800 -0.032 0.000 2.433 823 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.216 823 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.216 823 G C 1.713 176.525 174.900 -0.148 0.000 1.186 823 G CA 1.145 46.163 45.100 -0.137 0.000 0.779 823 G HN 0.630 nan 8.290 nan 0.000 0.543 824 R N 0.246 120.691 120.500 -0.092 0.000 2.103 824 R HA -0.075 4.264 4.340 -0.001 0.000 0.242 824 R C 2.518 178.810 176.300 -0.012 0.000 1.142 824 R CA 1.686 57.782 56.100 -0.007 0.000 0.960 824 R CB -0.394 29.956 30.300 0.083 0.000 0.858 824 R HN 0.445 nan 8.270 nan 0.000 0.439 825 I N 0.663 121.137 120.570 -0.159 0.000 2.252 825 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 825 I C 2.667 178.828 176.117 0.074 0.000 1.102 825 I CA 1.115 62.294 61.300 -0.203 0.000 1.385 825 I CB -0.473 37.201 38.000 -0.543 0.000 1.064 825 I HN 0.326 nan 8.210 nan 0.000 0.414 826 A N 0.718 123.555 122.820 0.029 0.000 1.908 826 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 826 A C 1.938 179.527 177.584 0.009 0.000 1.181 826 A CA 2.148 54.217 52.037 0.054 0.000 0.627 826 A CB -0.636 18.376 19.000 0.019 0.000 0.818 826 A HN 0.350 nan 8.150 nan 0.000 0.445 827 D N -0.546 119.835 120.400 -0.031 0.000 2.149 827 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 827 D C 2.161 178.455 176.300 -0.010 0.000 0.990 827 D CA 1.172 55.155 54.000 -0.029 0.000 0.839 827 D CB -0.201 40.587 40.800 -0.018 0.000 0.948 827 D HN 0.457 nan 8.370 nan 0.000 0.460 828 Q N -0.840 118.975 119.800 0.026 0.000 2.096 828 Q HA -0.002 4.337 4.340 -0.001 0.000 0.197 828 Q C 2.091 177.891 176.000 -0.332 0.000 0.964 828 Q CA 0.736 56.475 55.803 -0.106 0.000 0.838 828 Q CB -0.186 28.540 28.738 -0.020 0.000 0.906 828 Q HN 0.392 nan 8.270 nan 0.000 0.444 829 F N -0.809 119.143 119.950 0.004 0.000 2.530 829 F HA 0.005 4.531 4.527 -0.002 0.000 0.292 829 F C 1.599 177.397 175.800 -0.002 0.000 1.109 829 F CA 0.271 58.276 58.000 0.008 0.000 1.450 829 F CB 0.336 39.338 39.000 0.003 0.000 1.114 829 F HN -0.013 nan 8.300 nan 0.000 0.560 830 L N -0.986 120.302 121.223 0.108 0.000 2.638 830 L HA 0.421 4.760 4.340 -0.001 0.000 0.232 830 L C 1.631 178.495 176.870 -0.010 0.000 1.099 830 L CA 0.528 55.394 54.840 0.043 0.000 0.883 830 L CB -0.671 41.403 42.059 0.025 0.000 1.136 830 L HN 0.205 nan 8.230 nan 0.000 0.492 831 G N 0.367 109.153 108.800 -0.024 0.000 2.622 831 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.307 831 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.307 831 G C 0.442 175.314 174.900 -0.047 0.000 1.226 831 G CA 0.208 45.285 45.100 -0.040 0.000 0.997 831 G HN 0.698 nan 8.290 nan 0.000 0.551 832 A N 0.795 123.591 122.820 -0.040 0.000 2.371 832 A HA 0.681 5.000 4.320 -0.001 0.000 0.257 832 A C 1.281 178.837 177.584 -0.047 0.000 1.089 832 A CA 0.842 52.855 52.037 -0.041 0.000 0.794 832 A CB 0.169 19.149 19.000 -0.033 0.000 1.029 832 A HN 2.207 nan 8.150 nan 0.000 0.488 833 M N 0.000 119.566 119.600 -0.057 0.000 2.572 833 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 833 M CA 0.000 55.264 55.300 -0.061 0.000 0.988 833 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 833 M HN 0.000 nan 8.290 nan 0.000 0.411