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 2y48_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 YKEASEVKPP DATA SEQUENCE RDITAEFLVK 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 PGPSIPGAPQ PIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG AMYTL 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 0.000 174.565 174.600 -0.059 0.000 1.055 172 S CA 0.000 58.168 58.200 -0.053 0.000 1.107 172 S CB 0.000 63.176 63.200 -0.041 0.000 0.593 173 G N -0.028 108.745 108.800 -0.045 0.000 2.484 173 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.225 173 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.225 173 G C 0.828 175.687 174.900 -0.069 0.000 1.250 173 G CA 0.813 45.884 45.100 -0.048 0.000 0.926 173 G HN 2.205 nan 8.290 nan 0.000 0.581 174 V N -1.624 118.228 119.914 -0.102 0.000 2.719 174 V HA 0.210 4.330 4.120 -0.000 0.000 0.252 174 V C 2.109 178.132 176.094 -0.120 0.000 1.065 174 V CA 2.821 65.024 62.300 -0.162 0.000 1.086 174 V CB -0.427 31.195 31.823 -0.334 0.000 0.700 174 V HN 0.720 nan 8.190 nan 0.000 0.467 175 E N 1.240 121.366 120.200 -0.123 0.000 2.274 175 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 175 E C 2.233 178.823 176.600 -0.017 0.000 0.996 175 E CA 1.026 57.346 56.400 -0.134 0.000 0.840 175 E CB -0.425 29.048 29.700 -0.378 0.000 0.772 175 E HN 0.743 nan 8.360 nan 0.000 0.491 176 G N 1.199 109.991 108.800 -0.012 0.000 2.404 176 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 176 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 176 G C 1.681 176.665 174.900 0.141 0.000 1.174 176 G CA 0.727 45.866 45.100 0.065 0.000 0.780 176 G HN 0.345 nan 8.290 nan 0.000 0.537 177 A N 1.494 124.348 122.820 0.058 0.000 1.873 177 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 177 A C 2.859 180.489 177.584 0.076 0.000 1.193 177 A CA 2.794 54.861 52.037 0.049 0.000 0.629 177 A CB -1.083 17.915 19.000 -0.004 0.000 0.826 177 A HN 0.963 nan 8.150 nan 0.000 0.447 178 A N -1.373 121.496 122.820 0.082 0.000 1.948 178 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 178 A C 2.102 179.777 177.584 0.152 0.000 1.177 178 A CA 1.894 53.995 52.037 0.107 0.000 0.636 178 A CB -0.716 18.373 19.000 0.149 0.000 0.815 178 A HN 0.922 nan 8.150 nan 0.000 0.449 179 F N 0.339 120.326 119.950 0.062 0.000 2.187 179 F HA -0.033 4.494 4.527 -0.000 0.000 0.295 179 F C 2.075 177.914 175.800 0.065 0.000 1.091 179 F CA 1.800 59.847 58.000 0.078 0.000 1.308 179 F CB -0.231 38.813 39.000 0.073 0.000 1.030 179 F HN 0.300 nan 8.300 nan 0.000 0.487 180 Q N 0.336 120.126 119.800 -0.017 0.000 2.515 180 Q HA 0.041 4.381 4.340 -0.000 0.000 0.212 180 Q C 0.672 176.601 176.000 -0.119 0.000 0.970 180 Q CA 0.958 56.679 55.803 -0.136 0.000 0.941 180 Q CB -0.494 28.270 28.738 0.042 0.000 0.998 180 Q HN 0.267 nan 8.270 nan 0.000 0.518 181 S N -0.149 115.508 115.700 -0.072 0.000 2.754 181 S HA 0.306 4.776 4.470 -0.000 0.000 0.247 181 S C -0.512 174.064 174.600 -0.040 0.000 1.031 181 S CA -0.395 57.791 58.200 -0.024 0.000 1.014 181 S CB 0.090 63.314 63.200 0.040 0.000 0.918 181 S HN 0.508 nan 8.310 nan 0.000 0.519 182 R N 0.428 120.873 120.500 -0.091 0.000 3.627 182 R HA -0.184 4.156 4.340 -0.000 0.000 0.281 182 R C -0.985 175.349 176.300 0.057 0.000 1.140 182 R CA 0.670 56.765 56.100 -0.008 0.000 0.761 182 R CB -2.013 28.325 30.300 0.063 0.000 1.181 182 R HN 0.339 nan 8.270 nan 0.000 0.472 183 L N 0.285 121.543 121.223 0.058 0.000 2.381 183 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 183 L C -2.058 174.877 176.870 0.108 0.000 0.997 183 L CA -2.486 52.403 54.840 0.082 0.000 0.818 183 L CB 1.805 43.902 42.059 0.064 0.000 1.310 183 L HN -0.229 nan 8.230 nan 0.000 0.416 184 P HA 0.035 nan 4.420 nan 0.000 0.271 184 P C -0.251 177.049 177.300 -0.000 0.000 1.226 184 P CA -0.054 63.068 63.100 0.037 0.000 0.765 184 P CB 0.550 32.245 31.700 -0.008 0.000 0.835 185 H N 1.424 120.532 119.070 0.065 0.000 2.524 185 H HA -0.022 4.534 4.556 -0.000 0.000 0.282 185 H C 0.394 175.734 175.328 0.020 0.000 1.016 185 H CA 1.111 57.177 56.048 0.030 0.000 1.270 185 H CB -0.348 29.433 29.762 0.031 0.000 1.394 185 H HN 0.285 nan 8.280 nan 0.000 0.568 186 D N -0.758 119.409 120.400 -0.388 0.000 2.673 186 D HA 0.214 4.854 4.640 -0.000 0.000 0.278 186 D C 0.005 176.244 176.300 -0.102 0.000 1.393 186 D CA -0.481 53.410 54.000 -0.183 0.000 0.805 186 D CB 0.192 40.832 40.800 -0.268 0.000 1.110 186 D HN 0.301 nan 8.370 nan 0.000 0.476 187 R N -0.240 120.219 120.500 -0.068 0.000 2.668 187 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 187 R C -1.099 175.214 176.300 0.022 0.000 1.019 187 R CA -0.665 55.422 56.100 -0.022 0.000 0.894 187 R CB 2.051 32.329 30.300 -0.038 0.000 1.228 187 R HN -0.027 nan 8.270 nan 0.000 0.460 188 M N 2.297 121.917 119.600 0.033 0.000 2.233 188 M HA 0.224 4.704 4.480 -0.000 0.000 0.355 188 M C 0.521 176.834 176.300 0.021 0.000 1.191 188 M CA -0.354 54.974 55.300 0.048 0.000 1.101 188 M CB 1.756 34.344 32.600 -0.021 0.000 1.592 188 M HN 0.717 nan 8.290 nan 0.000 0.461 189 T N -1.009 113.567 114.554 0.038 0.000 2.754 189 T HA 0.142 4.492 4.350 -0.000 0.000 0.286 189 T C 1.124 175.837 174.700 0.022 0.000 0.997 189 T CA -0.560 61.563 62.100 0.037 0.000 0.982 189 T CB 1.163 70.067 68.868 0.060 0.000 1.027 189 T HN 0.662 nan 8.240 nan 0.000 0.529 190 S N -0.220 115.496 115.700 0.026 0.000 2.368 190 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 190 S C 2.120 176.739 174.600 0.033 0.000 1.030 190 S CA 1.852 60.064 58.200 0.021 0.000 0.999 190 S CB -0.787 62.424 63.200 0.019 0.000 0.844 190 S HN 0.896 nan 8.310 nan 0.000 0.459 191 Q N 0.077 119.907 119.800 0.050 0.000 2.291 191 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 191 Q C 1.707 177.777 176.000 0.116 0.000 0.970 191 Q CA 1.578 57.429 55.803 0.080 0.000 0.876 191 Q CB -0.187 28.584 28.738 0.055 0.000 0.935 191 Q HN 0.617 nan 8.270 nan 0.000 0.455 192 E N 0.377 120.609 120.200 0.054 0.000 2.051 192 E HA -0.064 4.286 4.350 -0.000 0.000 0.189 192 E C 2.036 178.631 176.600 -0.007 0.000 0.979 192 E CA 0.857 57.228 56.400 -0.049 0.000 0.803 192 E CB -0.150 29.480 29.700 -0.116 0.000 0.761 192 E HN 0.523 nan 8.360 nan 0.000 0.451 193 A N 1.402 124.203 122.820 -0.032 0.000 1.986 193 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 193 A C 2.334 179.924 177.584 0.010 0.000 1.171 193 A CA 1.843 53.862 52.037 -0.030 0.000 0.640 193 A CB -0.707 18.276 19.000 -0.028 0.000 0.811 193 A HN 0.312 nan 8.150 nan 0.000 0.451 194 A N -1.079 121.763 122.820 0.037 0.000 1.898 194 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 194 A C 2.082 179.685 177.584 0.030 0.000 1.181 194 A CA 1.699 53.759 52.037 0.039 0.000 0.620 194 A CB -1.023 18.016 19.000 0.065 0.000 0.819 194 A HN 0.743 nan 8.150 nan 0.000 0.442 195 C N -2.463 116.880 119.300 0.071 0.000 2.697 195 C HA 0.437 4.897 4.460 -0.000 0.000 0.267 195 C C 0.370 175.118 174.990 -0.402 0.000 1.278 195 C CA -0.382 58.592 59.018 -0.074 0.000 1.708 195 C CB -1.677 26.109 27.740 0.077 0.000 1.860 195 C HN 0.457 nan 8.230 nan 0.000 0.589 196 F N 0.693 120.555 119.950 -0.148 0.000 2.605 196 F HA 0.263 4.790 4.527 -0.000 0.000 0.391 196 F C -1.406 174.274 175.800 -0.200 0.000 1.429 196 F CA -1.594 56.276 58.000 -0.217 0.000 1.138 196 F CB 0.156 38.873 39.000 -0.471 0.000 1.198 196 F HN -0.036 nan 8.300 nan 0.000 0.516 197 P HA -0.184 nan 4.420 nan 0.000 0.220 197 P C 1.245 178.529 177.300 -0.027 0.000 1.148 197 P CA 1.624 64.707 63.100 -0.028 0.000 0.803 197 P CB 0.162 31.842 31.700 -0.035 0.000 0.782 198 D N 0.458 120.847 120.400 -0.019 0.000 2.123 198 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 198 D C 2.076 178.372 176.300 -0.007 0.000 0.992 198 D CA 1.027 55.023 54.000 -0.008 0.000 0.833 198 D CB -0.923 39.878 40.800 0.002 0.000 0.954 198 D HN 0.222 nan 8.370 nan 0.000 0.455 199 I N 0.726 121.287 120.570 -0.015 0.000 2.110 199 I HA -0.163 4.007 4.170 -0.000 0.000 0.236 199 I C 2.880 178.948 176.117 -0.083 0.000 1.068 199 I CA 0.638 61.904 61.300 -0.056 0.000 1.333 199 I CB -0.182 37.727 38.000 -0.153 0.000 1.054 199 I HN -0.064 nan 8.210 nan 0.000 0.402 200 I N 0.726 121.220 120.570 -0.127 0.000 2.454 200 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 200 I C 2.411 178.497 176.117 -0.052 0.000 1.156 200 I CA 1.599 62.837 61.300 -0.102 0.000 1.433 200 I CB 0.051 37.978 38.000 -0.123 0.000 1.082 200 I HN 0.315 nan 8.210 nan 0.000 0.432 201 S N -0.473 115.203 115.700 -0.039 0.000 2.603 201 S HA 0.163 4.633 4.470 -0.000 0.000 0.220 201 S C 0.985 175.577 174.600 -0.015 0.000 0.967 201 S CA 0.047 58.233 58.200 -0.024 0.000 0.920 201 S CB -0.355 62.833 63.200 -0.021 0.000 0.773 201 S HN 0.408 nan 8.310 nan 0.000 0.529 202 G N 1.961 110.752 108.800 -0.014 0.000 2.702 202 G HA2 0.592 4.552 3.960 -0.000 0.000 0.254 202 G HA3 0.592 4.552 3.960 -0.000 0.000 0.254 202 G C -2.850 172.053 174.900 0.004 0.000 1.380 202 G CA -1.850 43.249 45.100 -0.002 0.000 1.042 202 G HN 0.281 nan 8.290 nan 0.000 0.557 203 P HA 0.112 nan 4.420 nan 0.000 0.271 203 P C 0.328 177.644 177.300 0.027 0.000 1.216 203 P CA -0.148 62.964 63.100 0.019 0.000 0.771 203 P CB 1.267 32.981 31.700 0.024 0.000 0.864 204 Q N 1.524 121.339 119.800 0.026 0.000 2.325 204 Q HA -0.237 4.103 4.340 -0.000 0.000 0.211 204 Q C 1.739 177.769 176.000 0.050 0.000 0.988 204 Q CA 1.687 57.510 55.803 0.033 0.000 0.887 204 Q CB -0.209 28.547 28.738 0.029 0.000 0.915 204 Q HN 0.532 nan 8.270 nan 0.000 0.440 205 Q N 0.329 120.159 119.800 0.050 0.000 2.046 205 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 205 Q C 1.800 177.852 176.000 0.086 0.000 0.975 205 Q CA 2.350 58.191 55.803 0.064 0.000 0.836 205 Q CB -0.484 28.285 28.738 0.051 0.000 0.896 205 Q HN 0.446 nan 8.270 nan 0.000 0.428 206 T N 0.195 114.797 114.554 0.079 0.000 2.821 206 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 206 T C 1.740 176.517 174.700 0.128 0.000 1.046 206 T CA 1.385 63.547 62.100 0.103 0.000 1.139 206 T CB -0.301 68.617 68.868 0.082 0.000 0.871 206 T HN 0.386 nan 8.240 nan 0.000 0.454 207 Q N 1.158 121.015 119.800 0.095 0.000 2.112 207 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 207 Q C 2.374 178.472 176.000 0.165 0.000 0.987 207 Q CA 1.392 57.260 55.803 0.109 0.000 0.858 207 Q CB -0.281 28.491 28.738 0.055 0.000 0.905 207 Q HN 0.519 nan 8.270 nan 0.000 0.420 208 K N 0.038 120.518 120.400 0.132 0.000 2.148 208 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 208 K C 2.069 178.752 176.600 0.138 0.000 1.050 208 K CA 1.102 57.468 56.287 0.133 0.000 0.942 208 K CB 0.084 32.659 32.500 0.126 0.000 0.724 208 K HN 0.024 nan 8.250 nan 0.000 0.446 209 V N 0.833 120.847 119.914 0.167 0.000 2.358 209 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 209 V C 1.909 178.074 176.094 0.119 0.000 1.047 209 V CA 1.605 64.007 62.300 0.170 0.000 1.035 209 V CB -0.612 31.359 31.823 0.248 0.000 0.658 209 V HN 0.226 nan 8.190 nan 0.000 0.452 210 F N 1.001 120.956 119.950 0.008 0.000 2.046 210 F HA -0.197 4.330 4.527 -0.000 0.000 0.297 210 F C 2.108 177.849 175.800 -0.098 0.000 1.123 210 F CA 1.823 59.776 58.000 -0.079 0.000 1.199 210 F CB -0.509 38.393 39.000 -0.164 0.000 0.972 210 F HN 0.004 nan 8.300 nan 0.000 0.474 211 L N -0.899 120.261 121.223 -0.106 0.000 2.043 211 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 211 L C 2.478 179.213 176.870 -0.225 0.000 1.075 211 L CA 1.738 56.464 54.840 -0.190 0.000 0.752 211 L CB -0.945 41.132 42.059 0.030 0.000 0.891 211 L HN 0.271 nan 8.230 nan 0.000 0.432 212 F N 0.682 120.468 119.950 -0.273 0.000 2.102 212 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 212 F C 2.269 177.852 175.800 -0.360 0.000 1.105 212 F CA 1.485 59.270 58.000 -0.359 0.000 1.239 212 F CB -0.129 38.481 39.000 -0.649 0.000 0.991 212 F HN -0.112 nan 8.300 nan 0.000 0.474 213 I N -0.017 120.471 120.570 -0.137 0.000 2.179 213 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 213 I C 2.729 178.688 176.117 -0.262 0.000 1.088 213 I CA 1.293 62.527 61.300 -0.109 0.000 1.357 213 I CB -0.690 37.305 38.000 -0.009 0.000 1.051 213 I HN 0.093 nan 8.210 nan 0.000 0.409 214 R N 1.561 121.785 120.500 -0.459 0.000 2.103 214 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 214 R C 2.054 178.179 176.300 -0.293 0.000 1.132 214 R CA 2.413 58.248 56.100 -0.442 0.000 0.925 214 R CB -0.619 29.259 30.300 -0.703 0.000 0.842 214 R HN 0.355 nan 8.270 nan 0.000 0.430 215 N N 0.538 119.037 118.700 -0.334 0.000 2.149 215 N HA -0.198 4.542 4.740 -0.000 0.000 0.188 215 N C 1.862 177.179 175.510 -0.321 0.000 1.019 215 N CA 1.339 54.218 53.050 -0.285 0.000 0.857 215 N CB -0.442 37.870 38.487 -0.292 0.000 0.997 215 N HN 0.194 nan 8.380 nan 0.000 0.426 216 R N 0.713 120.923 120.500 -0.482 0.000 2.073 216 R HA 0.073 4.413 4.340 -0.000 0.000 0.229 216 R C 1.845 178.054 176.300 -0.151 0.000 1.120 216 R CA 1.552 57.409 56.100 -0.406 0.000 0.967 216 R CB -0.979 28.990 30.300 -0.552 0.000 0.862 216 R HN 0.155 nan 8.270 nan 0.000 0.436 217 T N 1.363 115.859 114.554 -0.097 0.000 2.759 217 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 217 T C 1.794 176.523 174.700 0.048 0.000 1.042 217 T CA 1.527 63.638 62.100 0.017 0.000 1.140 217 T CB -0.248 68.649 68.868 0.047 0.000 0.864 217 T HN 0.116 nan 8.240 nan 0.000 0.455 218 L N 0.755 121.982 121.223 0.006 0.000 1.970 218 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 218 L C 2.985 179.904 176.870 0.083 0.000 1.071 218 L CA 1.823 56.708 54.840 0.076 0.000 0.751 218 L CB -0.680 41.396 42.059 0.028 0.000 0.889 218 L HN 0.301 nan 8.230 nan 0.000 0.432 219 Q N 0.246 120.043 119.800 -0.006 0.000 2.082 219 Q HA -0.286 4.054 4.340 -0.000 0.000 0.211 219 Q C 2.299 178.289 176.000 -0.017 0.000 1.002 219 Q CA 2.216 58.001 55.803 -0.029 0.000 0.868 219 Q CB -0.301 28.395 28.738 -0.070 0.000 0.931 219 Q HN 0.452 nan 8.270 nan 0.000 0.414 220 L N -0.131 121.100 121.223 0.013 0.000 1.990 220 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 220 L C 2.477 179.379 176.870 0.053 0.000 1.072 220 L CA 1.940 56.800 54.840 0.033 0.000 0.755 220 L CB -0.901 41.198 42.059 0.066 0.000 0.889 220 L HN 0.581 nan 8.230 nan 0.000 0.432 221 W N 0.773 122.036 121.300 -0.062 0.000 2.358 221 W HA -0.204 4.456 4.660 -0.000 0.000 0.303 221 W C 2.003 178.457 176.519 -0.108 0.000 1.208 221 W CA 1.317 58.604 57.345 -0.096 0.000 1.274 221 W CB -0.153 29.238 29.460 -0.115 0.000 1.138 221 W HN 0.135 nan 8.180 nan 0.000 0.515 222 L N 0.808 121.831 121.223 -0.334 0.000 2.044 222 L HA -0.212 4.128 4.340 -0.000 0.000 0.205 222 L C 2.303 178.955 176.870 -0.363 0.000 1.075 222 L CA 1.591 56.163 54.840 -0.447 0.000 0.747 222 L CB -1.115 40.841 42.059 -0.171 0.000 0.903 222 L HN -0.199 nan 8.230 nan 0.000 0.435 223 D N -0.082 120.188 120.400 -0.217 0.000 2.228 223 D HA -0.168 4.472 4.640 -0.000 0.000 0.203 223 D C 0.737 176.917 176.300 -0.200 0.000 0.988 223 D CA 1.252 55.154 54.000 -0.163 0.000 0.864 223 D CB -0.198 40.544 40.800 -0.096 0.000 0.928 223 D HN 0.134 nan 8.370 nan 0.000 0.469 224 N N -1.024 117.508 118.700 -0.281 0.000 2.722 224 N HA 0.112 4.852 4.740 -0.000 0.000 0.242 224 N C -2.550 172.678 175.510 -0.470 0.000 1.398 224 N CA -1.180 51.705 53.050 -0.275 0.000 0.755 224 N CB 1.278 39.682 38.487 -0.139 0.000 1.268 224 N HN -0.155 nan 8.380 nan 0.000 0.522 225 P HA 0.149 nan 4.420 nan 0.000 0.257 225 P C 0.422 177.385 177.300 -0.562 0.000 1.325 225 P CA 0.246 62.586 63.100 -1.267 0.000 0.850 225 P CB 0.383 31.334 31.700 -1.248 0.000 1.324 226 K N 0.379 120.629 120.400 -0.251 0.000 2.374 226 K HA 0.202 4.522 4.320 -0.000 0.000 0.196 226 K C 0.961 177.610 176.600 0.081 0.000 1.023 226 K CA 0.250 56.508 56.287 -0.049 0.000 1.103 226 K CB 0.304 32.771 32.500 -0.054 0.000 0.848 226 K HN 0.360 nan 8.250 nan 0.000 0.528 227 I N -1.816 118.814 120.570 0.100 0.000 2.656 227 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 227 I C -0.516 175.744 176.117 0.239 0.000 1.144 227 I CA -1.218 60.187 61.300 0.175 0.000 1.038 227 I CB 1.821 39.878 38.000 0.095 0.000 1.244 227 I HN -0.165 nan 8.210 nan 0.000 0.420 228 Q N 4.017 123.985 119.800 0.280 0.000 2.304 228 Q HA 0.143 4.483 4.340 -0.000 0.000 0.301 228 Q C -1.423 174.665 176.000 0.147 0.000 1.063 228 Q CA 0.041 55.947 55.803 0.170 0.000 0.947 228 Q CB 1.042 29.939 28.738 0.266 0.000 1.201 228 Q HN 0.751 nan 8.270 nan 0.000 0.389 229 L N 4.838 126.132 121.223 0.118 0.000 2.280 229 L HA 0.402 4.742 4.340 -0.000 0.000 0.287 229 L C -0.494 176.530 176.870 0.256 0.000 1.023 229 L CA -0.078 54.873 54.840 0.185 0.000 0.819 229 L CB 1.481 43.686 42.059 0.243 0.000 1.212 229 L HN 0.838 nan 8.230 nan 0.000 0.420 230 T N 0.842 115.483 114.554 0.145 0.000 2.934 230 T HA 0.234 4.584 4.350 -0.000 0.000 0.283 230 T C 0.927 175.508 174.700 -0.198 0.000 1.005 230 T CA -0.467 61.660 62.100 0.045 0.000 1.041 230 T CB 0.809 69.709 68.868 0.052 0.000 1.042 230 T HN 0.452 nan 8.240 nan 0.000 0.505 231 F N 1.564 121.185 119.950 -0.549 0.000 2.126 231 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 231 F C 1.959 177.667 175.800 -0.153 0.000 1.096 231 F CA 1.725 59.430 58.000 -0.492 0.000 1.255 231 F CB -0.703 38.202 39.000 -0.159 0.000 0.997 231 F HN 0.709 nan 8.300 nan 0.000 0.479 232 E N 0.775 120.800 120.200 -0.292 0.000 2.012 232 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 232 E C 2.425 178.880 176.600 -0.242 0.000 1.007 232 E CA 1.766 57.978 56.400 -0.314 0.000 0.816 232 E CB -1.077 28.557 29.700 -0.110 0.000 0.762 232 E HN 0.409 nan 8.360 nan 0.000 0.451 233 A N 0.258 123.006 122.820 -0.120 0.000 2.032 233 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 233 A C 2.305 179.854 177.584 -0.059 0.000 1.165 233 A CA 2.220 54.221 52.037 -0.060 0.000 0.645 233 A CB -1.011 17.988 19.000 -0.000 0.000 0.807 233 A HN 0.299 nan 8.150 nan 0.000 0.453 234 T N -0.385 114.115 114.554 -0.091 0.000 2.732 234 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 234 T C 1.829 176.489 174.700 -0.066 0.000 1.040 234 T CA 1.341 63.425 62.100 -0.026 0.000 1.145 234 T CB -0.332 68.572 68.868 0.060 0.000 0.866 234 T HN 0.303 nan 8.240 nan 0.000 0.427 235 L N 1.431 122.517 121.223 -0.228 0.000 2.046 235 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 235 L C 2.545 179.351 176.870 -0.107 0.000 1.077 235 L CA 1.735 56.456 54.840 -0.198 0.000 0.747 235 L CB -0.870 40.929 42.059 -0.433 0.000 0.896 235 L HN 0.111 nan 8.230 nan 0.000 0.432 236 Q N 0.038 119.763 119.800 -0.125 0.000 2.082 236 Q HA -0.309 4.031 4.340 -0.000 0.000 0.211 236 Q C 2.190 178.179 176.000 -0.019 0.000 1.002 236 Q CA 2.302 58.066 55.803 -0.065 0.000 0.868 236 Q CB -0.388 28.313 28.738 -0.061 0.000 0.931 236 Q HN 0.651 nan 8.270 nan 0.000 0.414 237 Q N -0.987 118.812 119.800 -0.002 0.000 2.365 237 Q HA 0.256 4.596 4.340 -0.000 0.000 0.203 237 Q C -0.472 175.571 176.000 0.073 0.000 0.929 237 Q CA -0.293 55.530 55.803 0.032 0.000 0.948 237 Q CB 0.342 29.101 28.738 0.034 0.000 1.043 237 Q HN 0.267 nan 8.270 nan 0.000 0.505 238 L N 0.884 122.155 121.223 0.081 0.000 2.399 238 L HA 0.183 4.523 4.340 -0.000 0.000 0.266 238 L C 0.368 177.315 176.870 0.129 0.000 1.114 238 L CA -0.391 54.540 54.840 0.153 0.000 0.804 238 L CB 0.961 43.122 42.059 0.170 0.000 1.146 238 L HN 0.066 nan 8.230 nan 0.000 0.451 239 E N 0.900 121.203 120.200 0.172 0.000 2.254 239 E HA 0.529 4.879 4.350 -0.000 0.000 0.261 239 E C -0.568 176.030 176.600 -0.003 0.000 1.051 239 E CA -0.720 55.720 56.400 0.067 0.000 0.902 239 E CB 1.358 31.081 29.700 0.038 0.000 1.168 239 E HN 0.575 nan 8.360 nan 0.000 0.423 240 A N 1.648 124.414 122.820 -0.090 0.000 2.322 240 A HA 0.363 4.683 4.320 -0.000 0.000 0.269 240 A C -1.553 175.790 177.584 -0.401 0.000 1.094 240 A CA -1.031 50.902 52.037 -0.172 0.000 0.807 240 A CB -0.105 18.826 19.000 -0.114 0.000 1.047 240 A HN 0.399 nan 8.150 nan 0.000 0.487 241 P HA -0.015 nan 4.420 nan 0.000 0.249 241 P C 0.116 177.281 177.300 -0.227 0.000 1.241 241 P CA 0.791 63.680 63.100 -0.351 0.000 0.781 241 P CB -0.032 31.469 31.700 -0.331 0.000 1.088 242 Y N 1.956 122.223 120.300 -0.055 0.000 2.206 242 Y HA -0.080 4.470 4.550 -0.000 0.000 0.292 242 Y C 2.184 178.117 175.900 0.056 0.000 1.123 242 Y CA 1.143 59.239 58.100 -0.006 0.000 1.142 242 Y CB -1.665 36.772 38.460 -0.039 0.000 1.006 242 Y HN 0.115 nan 8.280 nan 0.000 0.518 243 N N 0.362 119.169 118.700 0.178 0.000 2.515 243 N HA -0.085 4.655 4.740 -0.000 0.000 0.191 243 N C 1.154 176.719 175.510 0.091 0.000 1.182 243 N CA 0.866 53.994 53.050 0.129 0.000 0.879 243 N CB -0.678 37.860 38.487 0.085 0.000 0.984 243 N HN 0.331 nan 8.380 nan 0.000 0.453 244 S N -1.280 114.466 115.700 0.077 0.000 2.395 244 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 244 S C 0.547 175.198 174.600 0.084 0.000 1.027 244 S CA 0.317 58.551 58.200 0.056 0.000 0.965 244 S CB -0.304 62.909 63.200 0.023 0.000 0.812 244 S HN 0.254 nan 8.310 nan 0.000 0.482 245 D N 1.969 122.440 120.400 0.118 0.000 2.396 245 D HA 0.297 4.937 4.640 -0.000 0.000 0.225 245 D C 1.019 177.430 176.300 0.185 0.000 1.121 245 D CA 0.145 54.228 54.000 0.137 0.000 0.853 245 D CB 1.624 42.509 40.800 0.142 0.000 1.043 245 D HN 0.360 nan 8.370 nan 0.000 0.500 246 T N -0.066 114.600 114.554 0.187 0.000 3.065 246 T HA -0.031 4.319 4.350 -0.000 0.000 0.252 246 T C 1.829 176.702 174.700 0.289 0.000 1.099 246 T CA 0.816 63.083 62.100 0.278 0.000 1.063 246 T CB -0.234 68.796 68.868 0.270 0.000 0.948 246 T HN 0.176 nan 8.240 nan 0.000 0.506 247 V N 0.245 120.277 119.914 0.196 0.000 2.307 247 V HA 0.009 4.129 4.120 -0.000 0.000 0.245 247 V C 2.467 178.699 176.094 0.230 0.000 1.045 247 V CA 0.946 63.351 62.300 0.176 0.000 1.024 247 V CB -1.486 30.412 31.823 0.124 0.000 0.651 247 V HN 0.337 nan 8.190 nan 0.000 0.449 248 L N 0.566 121.936 121.223 0.243 0.000 1.956 248 L HA -0.159 4.181 4.340 -0.000 0.000 0.216 248 L C 2.584 179.653 176.870 0.332 0.000 1.073 248 L CA 2.300 57.318 54.840 0.297 0.000 0.762 248 L CB -0.848 41.373 42.059 0.271 0.000 0.889 248 L HN 0.184 nan 8.230 nan 0.000 0.433 249 V N -0.717 119.406 119.914 0.348 0.000 2.317 249 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 249 V C 2.520 178.905 176.094 0.485 0.000 1.065 249 V CA 2.209 64.769 62.300 0.433 0.000 1.049 249 V CB -0.966 31.156 31.823 0.499 0.000 0.651 249 V HN 0.673 nan 8.190 nan 0.000 0.450 250 H N 0.299 119.468 119.070 0.165 0.000 2.326 250 H HA -0.074 4.482 4.556 -0.000 0.000 0.301 250 H C 2.451 177.766 175.328 -0.022 0.000 1.081 250 H CA 2.006 57.829 56.048 -0.375 0.000 1.334 250 H CB -0.061 29.269 29.762 -0.719 0.000 1.385 250 H HN 0.331 nan 8.280 nan 0.000 0.504 251 R N -0.497 120.073 120.500 0.116 0.000 2.082 251 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 251 R C 2.483 178.984 176.300 0.335 0.000 1.136 251 R CA 1.730 57.943 56.100 0.189 0.000 0.935 251 R CB -0.782 29.688 30.300 0.283 0.000 0.842 251 R HN 0.154 nan 8.270 nan 0.000 0.430 252 V N 0.905 121.098 119.914 0.465 0.000 2.278 252 V HA -0.337 3.783 4.120 -0.000 0.000 0.251 252 V C 2.496 178.739 176.094 0.247 0.000 1.062 252 V CA 2.222 64.740 62.300 0.364 0.000 1.038 252 V CB -0.849 31.048 31.823 0.123 0.000 0.646 252 V HN 0.489 nan 8.190 nan 0.000 0.447 253 H N -0.104 119.044 119.070 0.131 0.000 2.387 253 H HA -0.117 4.439 4.556 -0.000 0.000 0.299 253 H C 2.400 177.705 175.328 -0.039 0.000 1.090 253 H CA 1.996 58.091 56.048 0.079 0.000 1.332 253 H CB 0.098 29.979 29.762 0.199 0.000 1.386 253 H HN 0.450 nan 8.280 nan 0.000 0.516 254 S N 0.115 115.788 115.700 -0.045 0.000 2.355 254 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 254 S C 1.911 176.279 174.600 -0.386 0.000 1.031 254 S CA 1.015 59.096 58.200 -0.198 0.000 0.993 254 S CB -0.718 62.343 63.200 -0.231 0.000 0.859 254 S HN 0.567 nan 8.310 nan 0.000 0.453 255 Y N 2.733 122.689 120.300 -0.574 0.000 2.030 255 Y HA -0.257 4.293 4.550 -0.000 0.000 0.272 255 Y C 1.886 177.674 175.900 -0.186 0.000 1.185 255 Y CA 1.633 59.404 58.100 -0.548 0.000 1.120 255 Y CB -0.668 37.769 38.460 -0.038 0.000 0.955 255 Y HN 0.150 nan 8.280 nan 0.000 0.495 256 L N 0.052 121.156 121.223 -0.198 0.000 2.083 256 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 256 L C 2.581 179.231 176.870 -0.366 0.000 1.083 256 L CA 1.953 56.606 54.840 -0.311 0.000 0.752 256 L CB -0.665 41.283 42.059 -0.185 0.000 0.899 256 L HN 0.375 nan 8.230 nan 0.000 0.433 257 E N 0.319 120.279 120.200 -0.401 0.000 2.152 257 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 257 E C 2.281 178.782 176.600 -0.165 0.000 0.983 257 E CA 0.674 56.887 56.400 -0.312 0.000 0.818 257 E CB 0.175 29.705 29.700 -0.283 0.000 0.758 257 E HN 0.151 nan 8.360 nan 0.000 0.467 258 R N 0.131 120.427 120.500 -0.339 0.000 2.090 258 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 258 R C 0.828 176.862 176.300 -0.443 0.000 1.110 258 R CA 1.769 57.562 56.100 -0.512 0.000 0.973 258 R CB -0.437 29.446 30.300 -0.696 0.000 0.869 258 R HN 0.278 nan 8.270 nan 0.000 0.440 259 H N -1.208 117.674 119.070 -0.313 0.000 2.537 259 H HA 0.358 4.914 4.556 -0.000 0.000 0.295 259 H C 0.551 175.757 175.328 -0.203 0.000 1.054 259 H CA 0.432 56.327 56.048 -0.255 0.000 1.156 259 H CB 0.421 29.935 29.762 -0.412 0.000 1.468 259 H HN 0.438 nan 8.280 nan 0.000 0.551 260 G N 0.873 109.637 108.800 -0.060 0.000 2.249 260 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.273 260 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.273 260 G C 0.830 175.684 174.900 -0.076 0.000 1.036 260 G CA 0.608 45.677 45.100 -0.052 0.000 0.824 260 G HN 0.501 nan 8.290 nan 0.000 0.504 261 L N -0.779 120.383 121.223 -0.102 0.000 2.249 261 L HA 0.373 4.713 4.340 -0.000 0.000 0.207 261 L C 1.686 178.503 176.870 -0.089 0.000 1.090 261 L CA 1.015 55.828 54.840 -0.045 0.000 0.802 261 L CB -0.045 41.955 42.059 -0.099 0.000 0.947 261 L HN 0.607 nan 8.230 nan 0.000 0.453 262 I N -4.460 115.839 120.570 -0.452 0.000 2.785 262 I HA 0.412 4.582 4.170 -0.000 0.000 0.302 262 I C -0.788 174.517 176.117 -1.354 0.000 1.069 262 I CA -0.924 59.606 61.300 -1.283 0.000 1.045 262 I CB 1.842 39.376 38.000 -0.778 0.000 1.236 262 I HN 0.011 nan 8.210 nan 0.000 0.429 263 N N 3.144 120.329 118.700 -2.525 0.000 2.681 263 N HA -0.216 4.524 4.740 -0.000 0.000 0.259 263 N C -1.157 173.837 175.510 -0.860 0.000 1.066 263 N CA 1.246 53.165 53.050 -1.885 0.000 0.717 263 N CB -1.371 36.450 38.487 -1.110 0.000 0.885 263 N HN 0.747 nan 8.380 nan 0.000 0.547 264 F N -2.604 117.024 119.950 -0.536 0.000 2.593 264 F HA 0.880 5.407 4.527 -0.000 0.000 0.320 264 F C 1.017 177.014 175.800 0.328 0.000 1.060 264 F CA 0.070 58.089 58.000 0.032 0.000 0.940 264 F CB 1.296 40.272 39.000 -0.040 0.000 1.268 264 F HN 0.296 nan 8.300 nan 0.000 0.475 265 G N 1.489 110.584 108.800 0.491 0.000 2.545 265 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.240 265 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.240 265 G C -1.265 173.770 174.900 0.225 0.000 1.172 265 G CA -0.306 45.002 45.100 0.347 0.000 0.949 265 G HN 0.968 nan 8.290 nan 0.000 0.574 266 I N 2.195 122.885 120.570 0.201 0.000 2.437 266 I HA 0.539 4.709 4.170 -0.000 0.000 0.279 266 I C -0.332 175.878 176.117 0.155 0.000 1.028 266 I CA -0.749 60.589 61.300 0.063 0.000 1.142 266 I CB 1.003 39.023 38.000 0.033 0.000 1.266 266 I HN 0.620 nan 8.210 nan 0.000 0.461 267 Y N 3.921 124.249 120.300 0.048 0.000 2.633 267 Y HA 0.670 5.220 4.550 -0.000 0.000 0.339 267 Y C -0.589 175.336 175.900 0.041 0.000 1.045 267 Y CA -1.716 56.423 58.100 0.066 0.000 1.098 267 Y CB 0.752 39.306 38.460 0.157 0.000 1.296 267 Y HN 0.112 nan 8.280 nan 0.000 0.494 268 K N 2.248 122.762 120.400 0.191 0.000 2.262 268 K HA 0.254 4.574 4.320 -0.000 0.000 0.282 268 K C -0.481 176.216 176.600 0.162 0.000 1.066 268 K CA -0.427 55.919 56.287 0.099 0.000 0.901 268 K CB 1.570 34.115 32.500 0.074 0.000 1.089 268 K HN 0.794 nan 8.250 nan 0.000 0.476 269 R N 3.921 124.476 120.500 0.092 0.000 2.442 269 R HA 0.113 4.453 4.340 -0.000 0.000 0.291 269 R C 1.045 177.407 176.300 0.103 0.000 1.069 269 R CA -0.085 56.093 56.100 0.131 0.000 1.022 269 R CB 0.321 30.651 30.300 0.049 0.000 0.976 269 R HN 0.601 nan 8.270 nan 0.000 0.443 270 I N 3.556 124.198 120.570 0.119 0.000 2.193 270 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 270 I C 0.465 176.624 176.117 0.069 0.000 1.084 270 I CA 1.213 62.564 61.300 0.085 0.000 1.365 270 I CB -0.107 37.943 38.000 0.084 0.000 1.064 270 I HN 0.494 nan 8.210 nan 0.000 0.410 271 K N 2.363 122.811 120.400 0.080 0.000 2.142 271 K HA 0.279 4.599 4.320 -0.000 0.000 0.250 271 K C -2.336 174.298 176.600 0.056 0.000 1.148 271 K CA -1.555 54.772 56.287 0.067 0.000 1.040 271 K CB -0.277 32.272 32.500 0.080 0.000 1.569 271 K HN 0.011 nan 8.250 nan 0.000 0.361 272 P HA -0.175 nan 4.420 nan 0.000 0.269 272 P C -0.210 177.105 177.300 0.026 0.000 1.185 272 P CA 0.085 63.201 63.100 0.026 0.000 0.769 272 P CB 0.513 32.225 31.700 0.019 0.000 0.809 273 L N 4.679 125.911 121.223 0.015 0.000 2.654 273 L HA 0.036 4.376 4.340 -0.000 0.000 0.271 273 L C -1.446 175.436 176.870 0.021 0.000 1.169 273 L CA -1.327 53.522 54.840 0.015 0.000 0.947 273 L CB -0.659 41.397 42.059 -0.004 0.000 1.232 273 L HN 0.361 nan 8.230 nan 0.000 0.486 274 P HA -0.162 nan 4.420 nan 0.000 0.258 274 P C 0.863 178.178 177.300 0.025 0.000 1.136 274 P CA 0.547 63.667 63.100 0.034 0.000 0.761 274 P CB 0.519 32.247 31.700 0.046 0.000 0.724 275 T N 2.289 116.856 114.554 0.021 0.000 2.720 275 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 275 T C 0.691 175.399 174.700 0.013 0.000 1.037 275 T CA 1.308 63.417 62.100 0.015 0.000 1.144 275 T CB -0.049 68.828 68.868 0.014 0.000 0.864 275 T HN 0.296 nan 8.240 nan 0.000 0.444 276 K N 0.696 121.106 120.400 0.017 0.000 2.259 276 K HA 0.479 4.799 4.320 -0.000 0.000 0.252 276 K C -1.037 175.575 176.600 0.019 0.000 0.936 276 K CA -0.783 55.513 56.287 0.015 0.000 0.810 276 K CB 1.367 33.876 32.500 0.015 0.000 1.143 276 K HN 0.075 nan 8.250 nan 0.000 0.427 277 K N 0.868 121.276 120.400 0.015 0.000 2.095 277 K HA 0.385 4.705 4.320 -0.000 0.000 0.252 277 K C -0.912 175.699 176.600 0.018 0.000 0.977 277 K CA -0.705 55.592 56.287 0.016 0.000 0.900 277 K CB 1.774 34.277 32.500 0.006 0.000 1.060 277 K HN 0.430 nan 8.250 nan 0.000 0.449 278 T N 0.980 115.549 114.554 0.025 0.000 2.809 278 T HA 0.582 4.932 4.350 -0.000 0.000 0.284 278 T C -0.302 174.409 174.700 0.017 0.000 0.992 278 T CA -0.532 61.585 62.100 0.028 0.000 0.957 278 T CB 1.403 70.298 68.868 0.044 0.000 0.942 278 T HN 0.880 nan 8.240 nan 0.000 0.439 279 G N 2.196 110.995 108.800 -0.002 0.000 2.755 279 G HA2 0.053 4.013 3.960 -0.000 0.000 0.686 279 G HA3 0.053 4.013 3.960 -0.000 0.000 0.686 279 G C -0.873 173.976 174.900 -0.085 0.000 1.427 279 G CA -0.590 44.477 45.100 -0.056 0.000 0.873 279 G HN 0.894 nan 8.290 nan 0.000 0.580 280 K N -0.175 120.142 120.400 -0.139 0.000 2.541 280 K HA 0.703 5.023 4.320 -0.000 0.000 0.250 280 K C -0.636 175.871 176.600 -0.154 0.000 0.950 280 K CA -0.692 55.529 56.287 -0.111 0.000 0.805 280 K CB 2.051 34.514 32.500 -0.060 0.000 1.166 280 K HN 1.069 nan 8.250 nan 0.000 0.430 281 V N 4.970 124.806 119.914 -0.130 0.000 2.540 281 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 281 V C -0.322 175.712 176.094 -0.099 0.000 1.035 281 V CA -0.963 61.255 62.300 -0.136 0.000 0.873 281 V CB 1.449 33.180 31.823 -0.153 0.000 0.992 281 V HN 0.688 nan 8.190 nan 0.000 0.428 282 I N 5.326 125.843 120.570 -0.088 0.000 2.331 282 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 282 I C -0.087 175.967 176.117 -0.106 0.000 0.998 282 I CA -0.416 60.819 61.300 -0.108 0.000 1.267 282 I CB 1.518 39.462 38.000 -0.094 0.000 1.386 282 I HN 0.503 nan 8.210 nan 0.000 0.476 283 I N 7.318 127.812 120.570 -0.127 0.000 2.354 283 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 283 I C 0.114 176.162 176.117 -0.116 0.000 1.007 283 I CA -0.569 60.669 61.300 -0.103 0.000 1.167 283 I CB 1.322 39.264 38.000 -0.096 0.000 1.320 283 I HN 0.301 nan 8.210 nan 0.000 0.458 284 I N 6.041 126.561 120.570 -0.083 0.000 2.452 284 I HA 0.394 4.564 4.170 -0.000 0.000 0.287 284 I C 0.911 176.995 176.117 -0.056 0.000 1.079 284 I CA 0.192 61.442 61.300 -0.083 0.000 1.387 284 I CB 0.434 38.410 38.000 -0.040 0.000 1.404 284 I HN 0.836 nan 8.210 nan 0.000 0.522 285 G N 4.266 113.013 108.800 -0.090 0.000 2.879 285 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 285 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 285 G C -0.037 174.823 174.900 -0.066 0.000 1.115 285 G CA -0.247 44.811 45.100 -0.070 0.000 0.770 285 G HN 0.849 nan 8.290 nan 0.000 0.601 286 S N 1.556 117.214 115.700 -0.070 0.000 2.484 286 S HA 0.612 5.082 4.470 -0.000 0.000 0.242 286 S C 1.318 175.900 174.600 -0.029 0.000 1.158 286 S CA 0.565 58.732 58.200 -0.055 0.000 1.162 286 S CB 0.638 63.797 63.200 -0.068 0.000 0.850 286 S HN 2.000 nan 8.310 nan 0.000 0.477 287 G N 0.863 109.657 108.800 -0.010 0.000 2.744 287 G HA2 0.268 4.228 3.960 -0.000 0.000 0.257 287 G HA3 0.268 4.228 3.960 -0.000 0.000 0.257 287 G C 0.932 175.823 174.900 -0.015 0.000 1.244 287 G CA -0.261 44.839 45.100 -0.000 0.000 0.916 287 G HN 0.293 nan 8.290 nan 0.000 0.564 288 V N 0.740 120.638 119.914 -0.027 0.000 2.427 288 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 288 V C 3.227 179.308 176.094 -0.020 0.000 1.051 288 V CA 2.543 64.824 62.300 -0.031 0.000 1.048 288 V CB -0.469 31.319 31.823 -0.057 0.000 0.666 288 V HN 0.912 nan 8.190 nan 0.000 0.456 289 S N 0.949 116.642 115.700 -0.011 0.000 2.348 289 S HA -0.125 4.345 4.470 -0.000 0.000 0.221 289 S C 2.142 176.736 174.600 -0.010 0.000 1.033 289 S CA 1.606 59.802 58.200 -0.006 0.000 1.010 289 S CB -1.133 62.075 63.200 0.014 0.000 0.891 289 S HN 0.512 nan 8.310 nan 0.000 0.442 290 G N 2.598 111.393 108.800 -0.007 0.000 2.679 290 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 290 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 290 G C 1.488 176.365 174.900 -0.039 0.000 1.267 290 G CA 1.350 46.435 45.100 -0.026 0.000 0.799 290 G HN 0.526 nan 8.290 nan 0.000 0.606 291 L N 0.984 122.185 121.223 -0.035 0.000 1.997 291 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 291 L C 3.467 180.317 176.870 -0.033 0.000 1.074 291 L CA 1.632 56.450 54.840 -0.037 0.000 0.763 291 L CB -0.678 41.367 42.059 -0.025 0.000 0.890 291 L HN 0.338 nan 8.230 nan 0.000 0.434 292 A N -0.234 122.573 122.820 -0.021 0.000 1.883 292 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 292 A C 2.523 180.082 177.584 -0.042 0.000 1.186 292 A CA 2.139 54.167 52.037 -0.014 0.000 0.624 292 A CB -0.853 18.137 19.000 -0.016 0.000 0.822 292 A HN 0.450 nan 8.150 nan 0.000 0.444 293 A N -0.277 122.513 122.820 -0.051 0.000 1.855 293 A HA 0.205 4.525 4.320 -0.000 0.000 0.215 293 A C 2.555 180.080 177.584 -0.098 0.000 1.191 293 A CA 2.167 54.164 52.037 -0.067 0.000 0.613 293 A CB -1.268 17.701 19.000 -0.052 0.000 0.829 293 A HN 1.189 nan 8.150 nan 0.000 0.442 294 A N 0.050 122.816 122.820 -0.089 0.000 1.870 294 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 294 A C 2.250 179.755 177.584 -0.132 0.000 1.224 294 A CA 2.111 54.086 52.037 -0.103 0.000 0.650 294 A CB -0.763 18.184 19.000 -0.089 0.000 0.836 294 A HN 0.541 nan 8.150 nan 0.000 0.454 295 R N -1.313 119.116 120.500 -0.120 0.000 2.113 295 R HA -0.197 4.143 4.340 -0.000 0.000 0.244 295 R C 2.502 178.659 176.300 -0.239 0.000 1.142 295 R CA 1.746 57.759 56.100 -0.145 0.000 0.953 295 R CB -0.421 29.822 30.300 -0.094 0.000 0.860 295 R HN 0.624 nan 8.270 nan 0.000 0.438 296 Q N 0.574 120.205 119.800 -0.282 0.000 2.020 296 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 296 Q C 2.375 177.825 176.000 -0.917 0.000 0.982 296 Q CA 1.320 56.770 55.803 -0.588 0.000 0.838 296 Q CB -0.461 28.021 28.738 -0.426 0.000 0.899 296 Q HN 0.387 nan 8.270 nan 0.000 0.423 297 L N 0.586 121.537 121.223 -0.453 0.000 1.971 297 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 297 L C 2.767 179.510 176.870 -0.212 0.000 1.072 297 L CA 1.809 56.512 54.840 -0.228 0.000 0.758 297 L CB -0.692 41.308 42.059 -0.099 0.000 0.889 297 L HN 0.356 nan 8.230 nan 0.000 0.433 298 Q N -0.077 119.610 119.800 -0.188 0.000 2.096 298 Q HA -0.265 4.075 4.340 -0.000 0.000 0.208 298 Q C 2.228 178.136 176.000 -0.152 0.000 0.993 298 Q CA 2.528 58.247 55.803 -0.139 0.000 0.862 298 Q CB -0.030 28.631 28.738 -0.128 0.000 0.915 298 Q HN 0.467 nan 8.270 nan 0.000 0.416 299 S N 0.140 115.679 115.700 -0.268 0.000 2.383 299 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 299 S C 1.190 175.741 174.600 -0.081 0.000 1.030 299 S CA 1.145 59.216 58.200 -0.216 0.000 1.002 299 S CB -0.255 62.761 63.200 -0.308 0.000 0.829 299 S HN 0.395 nan 8.310 nan 0.000 0.467 300 F N 1.221 121.169 119.950 -0.004 0.000 2.804 300 F HA 0.332 4.859 4.527 -0.000 0.000 0.303 300 F C 1.715 177.515 175.800 -0.000 0.000 1.154 300 F CA -0.608 57.390 58.000 -0.003 0.000 1.401 300 F CB -1.196 37.793 39.000 -0.019 0.000 1.106 300 F HN 0.242 nan 8.300 nan 0.000 0.568 301 G N 1.186 110.055 108.800 0.115 0.000 2.368 301 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.290 301 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.290 301 G C -0.135 174.800 174.900 0.058 0.000 1.098 301 G CA -0.124 45.017 45.100 0.068 0.000 1.073 301 G HN 0.260 nan 8.290 nan 0.000 0.511 302 M N -0.260 119.360 119.600 0.033 0.000 2.777 302 M HA 0.409 4.889 4.480 -0.000 0.000 0.307 302 M C -0.459 175.829 176.300 -0.021 0.000 1.228 302 M CA -0.907 54.399 55.300 0.010 0.000 0.871 302 M CB 1.604 34.211 32.600 0.011 0.000 1.721 302 M HN 0.165 nan 8.290 nan 0.000 0.487 303 D N 1.697 122.077 120.400 -0.033 0.000 2.313 303 D HA 0.399 5.038 4.640 -0.000 0.000 0.239 303 D C -1.654 174.613 176.300 -0.054 0.000 1.142 303 D CA -0.017 53.962 54.000 -0.036 0.000 0.847 303 D CB 1.117 41.902 40.800 -0.026 0.000 1.082 303 D HN 0.188 nan 8.370 nan 0.000 0.480 304 V N 3.353 123.232 119.914 -0.058 0.000 2.540 304 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 304 V C 0.101 176.151 176.094 -0.074 0.000 1.035 304 V CA -0.424 61.831 62.300 -0.075 0.000 0.873 304 V CB 2.244 34.016 31.823 -0.086 0.000 0.992 304 V HN 0.569 nan 8.190 nan 0.000 0.428 305 T N 5.888 120.386 114.554 -0.092 0.000 2.921 305 T HA 0.644 4.994 4.350 -0.000 0.000 0.297 305 T C -0.905 173.694 174.700 -0.167 0.000 1.013 305 T CA -0.361 61.669 62.100 -0.116 0.000 0.990 305 T CB 1.329 70.137 68.868 -0.099 0.000 1.023 305 T HN 0.284 nan 8.240 nan 0.000 0.447 306 L N 3.553 124.675 121.223 -0.169 0.000 2.295 306 L HA 0.599 4.939 4.340 -0.000 0.000 0.285 306 L C -0.505 176.220 176.870 -0.242 0.000 1.035 306 L CA -0.536 54.196 54.840 -0.181 0.000 0.806 306 L CB 1.054 43.032 42.059 -0.135 0.000 1.214 306 L HN 0.425 nan 8.230 nan 0.000 0.426 307 L N 2.859 123.921 121.223 -0.270 0.000 2.287 307 L HA 0.614 4.954 4.340 -0.000 0.000 0.287 307 L C -0.405 176.316 176.870 -0.248 0.000 1.022 307 L CA -0.530 54.124 54.840 -0.309 0.000 0.814 307 L CB 1.610 43.442 42.059 -0.377 0.000 1.217 307 L HN 0.497 nan 8.230 nan 0.000 0.420 308 E N 1.868 121.914 120.200 -0.257 0.000 2.224 308 E HA 0.534 4.884 4.350 -0.000 0.000 0.265 308 E C 0.034 176.420 176.600 -0.356 0.000 0.878 308 E CA -0.352 55.892 56.400 -0.260 0.000 0.759 308 E CB 2.133 31.717 29.700 -0.194 0.000 1.164 308 E HN 0.560 nan 8.360 nan 0.000 0.414 309 A N 5.260 127.756 122.820 -0.540 0.000 1.929 309 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 309 A C 1.025 178.188 177.584 -0.702 0.000 1.176 309 A CA 0.700 52.213 52.037 -0.872 0.000 0.628 309 A CB -0.155 17.717 19.000 -1.880 0.000 0.816 309 A HN 0.574 nan 8.150 nan 0.000 0.444 310 R N 0.711 120.884 120.500 -0.545 0.000 2.801 310 R HA 0.123 4.463 4.340 -0.000 0.000 0.273 310 R C -0.209 176.011 176.300 -0.132 0.000 1.080 310 R CA 0.382 56.345 56.100 -0.228 0.000 1.197 310 R CB 0.132 30.382 30.300 -0.083 0.000 1.109 310 R HN 0.520 nan 8.270 nan 0.000 0.535 311 D N 0.805 121.177 120.400 -0.046 0.000 2.336 311 D HA 0.002 4.642 4.640 -0.000 0.000 0.228 311 D C 0.073 176.359 176.300 -0.024 0.000 1.120 311 D CA 0.036 54.017 54.000 -0.033 0.000 0.839 311 D CB 0.056 40.854 40.800 -0.003 0.000 0.932 311 D HN 0.425 nan 8.370 nan 0.000 0.509 312 R N -1.080 119.405 120.500 -0.024 0.000 2.764 312 R HA 0.551 4.891 4.340 -0.000 0.000 0.270 312 R C -0.284 176.005 176.300 -0.019 0.000 1.014 312 R CA -1.104 54.989 56.100 -0.012 0.000 0.904 312 R CB 1.117 31.426 30.300 0.015 0.000 1.236 312 R HN -0.131 nan 8.270 nan 0.000 0.466 313 V N -1.414 118.491 119.914 -0.015 0.000 3.336 313 V HA 0.715 4.835 4.120 -0.000 0.000 0.304 313 V C 1.140 177.240 176.094 0.010 0.000 1.073 313 V CA 0.402 62.693 62.300 -0.015 0.000 1.074 313 V CB 0.614 32.425 31.823 -0.020 0.000 1.161 313 V HN 1.205 nan 8.190 nan 0.000 0.460 314 G N -0.812 107.991 108.800 0.005 0.000 2.217 314 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.246 314 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.246 314 G C 1.595 176.516 174.900 0.035 0.000 0.990 314 G CA 0.836 45.942 45.100 0.010 0.000 0.627 314 G HN 2.562 nan 8.290 nan 0.000 0.522 315 G N 0.356 109.198 108.800 0.070 0.000 2.704 315 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.344 315 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.344 315 G C 1.105 176.123 174.900 0.196 0.000 1.200 315 G CA 1.724 46.902 45.100 0.131 0.000 0.962 315 G HN 1.129 nan 8.290 nan 0.000 0.552 316 R N -0.161 120.393 120.500 0.089 0.000 2.299 316 R HA 0.262 4.602 4.340 -0.000 0.000 0.197 316 R C 0.749 177.019 176.300 -0.050 0.000 0.971 316 R CA 0.348 56.413 56.100 -0.058 0.000 1.030 316 R CB 0.106 30.275 30.300 -0.219 0.000 0.932 316 R HN 0.221 nan 8.270 nan 0.000 0.477 317 V N 2.160 122.058 119.914 -0.027 0.000 2.223 317 V HA 0.224 4.344 4.120 -0.000 0.000 0.249 317 V C 0.150 176.300 176.094 0.093 0.000 1.233 317 V CA -0.385 61.883 62.300 -0.054 0.000 1.131 317 V CB 0.345 32.042 31.823 -0.210 0.000 1.298 317 V HN 0.161 nan 8.190 nan 0.000 0.498 318 A N 3.626 126.576 122.820 0.216 0.000 2.303 318 A HA 0.865 5.185 4.320 -0.000 0.000 0.317 318 A C 0.183 177.894 177.584 0.212 0.000 1.149 318 A CA -0.364 51.820 52.037 0.245 0.000 0.822 318 A CB 1.042 20.259 19.000 0.360 0.000 1.131 318 A HN 0.547 nan 8.150 nan 0.000 0.493 319 T N 1.741 116.396 114.554 0.167 0.000 3.011 319 T HA 0.388 4.738 4.350 -0.000 0.000 0.303 319 T C -1.045 173.733 174.700 0.129 0.000 0.997 319 T CA -0.158 62.029 62.100 0.145 0.000 1.007 319 T CB 0.555 69.491 68.868 0.113 0.000 1.017 319 T HN 0.519 nan 8.240 nan 0.000 0.443 320 F N 4.153 124.096 119.950 -0.012 0.000 2.427 320 F HA 0.655 5.182 4.527 0.000 0.000 0.352 320 F C 0.310 176.089 175.800 -0.035 0.000 1.100 320 F CA -0.386 57.597 58.000 -0.029 0.000 1.191 320 F CB 0.441 39.410 39.000 -0.052 0.000 1.128 320 F HN 0.395 nan 8.300 nan 0.000 0.533 321 R N 5.135 125.145 120.500 -0.817 0.000 2.673 321 R HA 0.532 4.872 4.340 -0.000 0.000 0.281 321 R C -1.532 174.314 176.300 -0.757 0.000 0.991 321 R CA -1.264 54.465 56.100 -0.618 0.000 0.896 321 R CB 2.285 32.419 30.300 -0.277 0.000 1.201 321 R HN 0.687 nan 8.270 nan 0.000 0.457 322 K N 1.427 121.541 120.400 -0.475 0.000 2.545 322 K HA 0.217 4.537 4.320 -0.000 0.000 0.287 322 K C -0.120 176.425 176.600 -0.091 0.000 1.074 322 K CA 0.465 56.596 56.287 -0.260 0.000 1.048 322 K CB 1.112 33.467 32.500 -0.242 0.000 1.384 322 K HN 0.769 nan 8.250 nan 0.000 0.440 323 G N 3.692 112.434 108.800 -0.097 0.000 2.596 323 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.304 323 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.304 323 G C 0.192 174.996 174.900 -0.159 0.000 1.189 323 G CA 0.532 45.553 45.100 -0.132 0.000 0.986 323 G HN 0.651 nan 8.290 nan 0.000 0.548 324 N N 0.204 118.750 118.700 -0.257 0.000 2.205 324 N HA 0.193 4.933 4.740 -0.000 0.000 0.201 324 N C -0.149 175.288 175.510 -0.121 0.000 1.128 324 N CA 0.101 53.042 53.050 -0.183 0.000 0.867 324 N CB 0.327 38.708 38.487 -0.177 0.000 0.996 324 N HN 0.417 nan 8.380 nan 0.000 0.503 325 Y N 0.890 121.177 120.300 -0.021 0.000 2.442 325 Y HA 0.218 4.768 4.550 -0.000 0.000 0.330 325 Y C 0.602 176.442 175.900 -0.099 0.000 1.129 325 Y CA -0.422 57.676 58.100 -0.003 0.000 1.365 325 Y CB 0.715 39.236 38.460 0.102 0.000 1.233 325 Y HN -0.312 nan 8.280 nan 0.000 0.529 326 V N 2.874 122.803 119.914 0.025 0.000 2.577 326 V HA 0.770 4.890 4.120 -0.000 0.000 0.294 326 V C -0.738 175.019 176.094 -0.562 0.000 1.052 326 V CA -0.932 61.261 62.300 -0.178 0.000 0.891 326 V CB 1.415 33.148 31.823 -0.151 0.000 1.017 326 V HN 0.849 nan 8.190 nan 0.000 0.436 327 A N 3.440 126.067 122.820 -0.323 0.000 2.459 327 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 327 A C -0.998 176.572 177.584 -0.023 0.000 1.039 327 A CA -0.707 51.055 52.037 -0.459 0.000 0.698 327 A CB 1.231 20.110 19.000 -0.202 0.000 1.261 327 A HN 0.677 nan 8.150 nan 0.000 0.405 328 D N 2.109 122.576 120.400 0.111 0.000 2.350 328 D HA 0.290 4.930 4.640 -0.000 0.000 0.249 328 D C 0.487 176.893 176.300 0.176 0.000 1.119 328 D CA 0.042 54.154 54.000 0.186 0.000 0.886 328 D CB 1.699 42.646 40.800 0.245 0.000 1.195 328 D HN 0.435 nan 8.370 nan 0.000 0.437 329 L N 1.444 122.799 121.223 0.222 0.000 2.640 329 L HA 0.211 4.551 4.340 -0.000 0.000 0.230 329 L C 1.413 178.576 176.870 0.488 0.000 1.123 329 L CA 0.068 55.072 54.840 0.273 0.000 0.900 329 L CB 0.425 42.600 42.059 0.193 0.000 1.146 329 L HN 0.415 nan 8.230 nan 0.000 0.484 330 G N -0.839 108.181 108.800 0.366 0.000 3.286 330 G HA2 0.605 4.565 3.960 -0.000 0.000 0.166 330 G HA3 0.605 4.565 3.960 -0.000 0.000 0.166 330 G C -0.480 174.482 174.900 0.103 0.000 1.155 330 G CA -0.004 45.224 45.100 0.213 0.000 0.871 330 G HN 0.074 nan 8.290 nan 0.000 0.637 331 A N -0.461 122.370 122.820 0.019 0.000 2.587 331 A HA 0.413 4.733 4.320 -0.000 0.000 0.235 331 A C 0.772 178.527 177.584 0.284 0.000 1.044 331 A CA 1.276 53.350 52.037 0.062 0.000 0.754 331 A CB 0.183 19.108 19.000 -0.125 0.000 0.968 331 A HN 0.762 nan 8.150 nan 0.000 0.509 332 M N 2.269 122.006 119.600 0.227 0.000 2.086 332 M HA 0.232 4.712 4.480 -0.000 0.000 0.301 332 M C -0.897 175.414 176.300 0.019 0.000 1.034 332 M CA 0.488 55.860 55.300 0.121 0.000 1.122 332 M CB 0.803 33.342 32.600 -0.101 0.000 1.969 332 M HN 0.417 nan 8.290 nan 0.000 0.670 333 V N 1.910 121.859 119.914 0.058 0.000 2.495 333 V HA 0.392 4.511 4.120 -0.000 0.000 0.298 333 V C -0.451 175.684 176.094 0.070 0.000 1.031 333 V CA -0.903 61.413 62.300 0.026 0.000 0.871 333 V CB 1.837 33.694 31.823 0.057 0.000 0.988 333 V HN -0.034 nan 8.190 nan 0.000 0.432 334 V N 4.072 123.995 119.914 0.015 0.000 2.408 334 V HA 0.188 4.308 4.120 -0.000 0.000 0.267 334 V C 1.077 177.161 176.094 -0.016 0.000 1.047 334 V CA -0.069 62.265 62.300 0.057 0.000 0.937 334 V CB 1.238 33.069 31.823 0.015 0.000 0.999 334 V HN 1.043 nan 8.190 nan 0.000 0.472 335 T N 1.466 115.995 114.554 -0.041 0.000 3.843 335 T HA 0.530 4.880 4.350 -0.000 0.000 0.227 335 T C 0.565 175.234 174.700 -0.052 0.000 1.043 335 T CA 0.217 62.040 62.100 -0.461 0.000 1.012 335 T CB -0.575 68.045 68.868 -0.413 0.000 1.279 335 T HN 1.689 nan 8.240 nan 0.000 0.730 336 G N 1.041 109.905 108.800 0.106 0.000 2.895 336 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 336 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 336 G C 0.043 174.988 174.900 0.075 0.000 1.108 336 G CA -0.554 44.678 45.100 0.221 0.000 0.761 336 G HN 0.510 nan 8.290 nan 0.000 0.611 337 L N 1.403 122.638 121.223 0.019 0.000 2.492 337 L HA 0.238 4.578 4.340 -0.000 0.000 0.223 337 L C 2.234 179.002 176.870 -0.169 0.000 1.132 337 L CA 0.746 55.522 54.840 -0.107 0.000 0.850 337 L CB 0.067 42.099 42.059 -0.045 0.000 0.966 337 L HN 0.789 nan 8.230 nan 0.000 0.454 338 G N 0.027 108.809 108.800 -0.031 0.000 2.778 338 G HA2 0.372 4.332 3.960 -0.000 0.000 0.287 338 G HA3 0.372 4.332 3.960 -0.000 0.000 0.287 338 G C 0.993 175.787 174.900 -0.175 0.000 0.747 338 G CA 0.506 45.649 45.100 0.072 0.000 1.961 338 G HN 0.401 nan 8.290 nan 0.000 0.539 339 G N 1.459 110.008 108.800 -0.418 0.000 2.184 339 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.206 339 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.206 339 G C 0.340 174.729 174.900 -0.852 0.000 0.995 339 G CA -0.088 44.670 45.100 -0.569 0.000 0.651 339 G HN 0.844 nan 8.290 nan 0.000 0.511 340 N N 1.513 119.473 118.700 -1.234 0.000 2.422 340 N HA 0.399 5.139 4.740 -0.000 0.000 0.264 340 N C -0.389 174.799 175.510 -0.536 0.000 1.063 340 N CA -1.902 50.250 53.050 -1.497 0.000 0.959 340 N CB 1.911 39.578 38.487 -1.366 0.000 1.087 340 N HN 0.041 nan 8.380 nan 0.000 0.483 341 P HA -0.173 nan 4.420 nan 0.000 0.217 341 P C 1.356 178.690 177.300 0.057 0.000 1.148 341 P CA 1.239 64.304 63.100 -0.058 0.000 0.828 341 P CB 0.201 31.826 31.700 -0.124 0.000 0.783 342 M N -0.935 118.666 119.600 0.001 0.000 2.446 342 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 342 M C 2.154 178.467 176.300 0.023 0.000 1.066 342 M CA 1.067 56.410 55.300 0.071 0.000 1.087 342 M CB -1.705 30.963 32.600 0.114 0.000 1.406 342 M HN -0.079 nan 8.290 nan 0.000 0.459 343 A N 0.348 123.135 122.820 -0.054 0.000 1.865 343 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 343 A C 2.456 180.023 177.584 -0.029 0.000 1.191 343 A CA 2.045 54.047 52.037 -0.058 0.000 0.623 343 A CB -1.006 17.929 19.000 -0.107 0.000 0.826 343 A HN 0.284 nan 8.150 nan 0.000 0.444 344 V N -0.439 119.482 119.914 0.012 0.000 2.343 344 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 344 V C 2.577 178.669 176.094 -0.003 0.000 1.051 344 V CA 1.963 64.245 62.300 -0.030 0.000 1.036 344 V CB -0.695 31.149 31.823 0.034 0.000 0.654 344 V HN 0.372 nan 8.190 nan 0.000 0.451 345 V N 1.041 121.021 119.914 0.109 0.000 2.469 345 V HA -0.230 3.890 4.120 -0.000 0.000 0.251 345 V C 2.632 178.760 176.094 0.055 0.000 1.064 345 V CA 2.282 64.651 62.300 0.114 0.000 1.066 345 V CB -0.682 31.248 31.823 0.180 0.000 0.667 345 V HN 0.793 nan 8.190 nan 0.000 0.461 346 S N -0.402 115.317 115.700 0.032 0.000 2.428 346 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 346 S C 1.838 176.430 174.600 -0.014 0.000 1.014 346 S CA 0.839 59.046 58.200 0.011 0.000 0.957 346 S CB -0.337 62.863 63.200 -0.000 0.000 0.784 346 S HN 0.621 nan 8.310 nan 0.000 0.499 347 K N 1.014 121.389 120.400 -0.042 0.000 2.288 347 K HA 0.047 4.367 4.320 -0.000 0.000 0.201 347 K C 2.263 178.828 176.600 -0.060 0.000 1.048 347 K CA 1.054 57.300 56.287 -0.068 0.000 0.956 347 K CB -0.117 32.310 32.500 -0.120 0.000 0.746 347 K HN 0.536 nan 8.250 nan 0.000 0.461 348 Q N 0.025 119.801 119.800 -0.040 0.000 2.354 348 Q HA 0.054 4.394 4.340 -0.000 0.000 0.203 348 Q C -0.186 175.819 176.000 0.008 0.000 0.933 348 Q CA 0.387 56.181 55.803 -0.014 0.000 0.901 348 Q CB 0.838 29.586 28.738 0.016 0.000 1.007 348 Q HN -0.027 nan 8.270 nan 0.000 0.495 349 V N 1.665 121.588 119.914 0.015 0.000 2.686 349 V HA 0.111 4.231 4.120 -0.000 0.000 0.306 349 V C -0.742 175.364 176.094 0.019 0.000 1.065 349 V CA -1.202 61.113 62.300 0.025 0.000 0.894 349 V CB 1.860 33.712 31.823 0.048 0.000 1.004 349 V HN 0.144 nan 8.190 nan 0.000 0.424 350 N N 5.073 123.783 118.700 0.017 0.000 2.410 350 N HA 0.181 4.921 4.740 -0.000 0.000 0.281 350 N C -0.546 174.977 175.510 0.022 0.000 1.241 350 N CA 0.404 53.463 53.050 0.015 0.000 0.998 350 N CB -0.124 38.370 38.487 0.012 0.000 1.376 350 N HN 0.618 nan 8.380 nan 0.000 0.490 351 M N 0.991 120.601 119.600 0.016 0.000 2.404 351 M HA 0.292 4.772 4.480 -0.000 0.000 0.338 351 M C 0.089 176.391 176.300 0.004 0.000 1.150 351 M CA -0.629 54.676 55.300 0.009 0.000 1.016 351 M CB 1.831 34.423 32.600 -0.013 0.000 1.672 351 M HN 0.256 nan 8.290 nan 0.000 0.448 352 E N 2.868 123.075 120.200 0.011 0.000 2.044 352 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 352 E C -1.337 175.267 176.600 0.007 0.000 1.031 352 E CA -0.184 56.227 56.400 0.018 0.000 0.824 352 E CB 0.640 30.363 29.700 0.038 0.000 1.076 352 E HN 0.564 nan 8.360 nan 0.000 0.395 353 L N 3.602 124.825 121.223 0.001 0.000 2.255 353 L HA 0.464 4.804 4.340 -0.000 0.000 0.289 353 L C -0.074 176.805 176.870 0.014 0.000 1.046 353 L CA -0.595 54.242 54.840 -0.005 0.000 0.816 353 L CB 1.103 43.155 42.059 -0.011 0.000 1.197 353 L HN 0.501 nan 8.230 nan 0.000 0.427 354 A N 5.046 127.876 122.820 0.017 0.000 2.304 354 A HA 0.521 4.841 4.320 -0.000 0.000 0.323 354 A C -0.245 177.367 177.584 0.048 0.000 1.195 354 A CA -0.760 51.296 52.037 0.032 0.000 0.826 354 A CB 0.795 19.813 19.000 0.030 0.000 1.184 354 A HN 0.650 nan 8.150 nan 0.000 0.496 355 K N 1.539 121.976 120.400 0.060 0.000 2.355 355 K HA 0.299 4.619 4.320 -0.000 0.000 0.270 355 K C -0.811 175.847 176.600 0.096 0.000 1.003 355 K CA 0.279 56.616 56.287 0.082 0.000 0.957 355 K CB 0.860 33.405 32.500 0.074 0.000 0.939 355 K HN 0.604 nan 8.250 nan 0.000 0.482 356 I N 2.892 123.540 120.570 0.129 0.000 2.331 356 I HA 0.084 4.254 4.170 -0.000 0.000 0.292 356 I C 0.051 176.232 176.117 0.108 0.000 0.998 356 I CA -0.476 60.911 61.300 0.146 0.000 1.267 356 I CB 1.064 39.203 38.000 0.233 0.000 1.386 356 I HN 0.321 nan 8.210 nan 0.000 0.476 357 K N 6.259 126.711 120.400 0.087 0.000 2.297 357 K HA 0.143 4.463 4.320 -0.000 0.000 0.286 357 K C 0.753 177.383 176.600 0.050 0.000 1.053 357 K CA -0.530 55.796 56.287 0.065 0.000 0.940 357 K CB 0.967 33.505 32.500 0.062 0.000 1.019 357 K HN 0.516 nan 8.250 nan 0.000 0.475 358 Q N 1.592 121.417 119.800 0.042 0.000 2.234 358 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 358 Q C 0.247 176.261 176.000 0.023 0.000 0.980 358 Q CA 1.162 56.984 55.803 0.033 0.000 0.869 358 Q CB -0.026 28.731 28.738 0.032 0.000 0.912 358 Q HN 0.420 nan 8.270 nan 0.000 0.436 359 K N 0.673 121.086 120.400 0.022 0.000 2.416 359 K HA 0.054 4.374 4.320 -0.000 0.000 0.283 359 K C -1.090 175.513 176.600 0.004 0.000 1.037 359 K CA 0.017 56.313 56.287 0.014 0.000 0.995 359 K CB 0.553 33.066 32.500 0.022 0.000 0.938 359 K HN 0.056 nan 8.250 nan 0.000 0.475 360 C N 8.377 127.667 119.300 -0.017 0.000 2.654 360 C HA 0.417 4.877 4.460 -0.000 0.000 0.315 360 C C -2.550 172.379 174.990 -0.102 0.000 1.054 360 C CA -2.005 56.992 59.018 -0.035 0.000 1.419 360 C CB 0.246 27.966 27.740 -0.032 0.000 1.889 360 C HN 0.691 nan 8.230 nan 0.000 0.447 361 P HA 0.261 nan 4.420 nan 0.000 0.271 361 P C -0.553 176.549 177.300 -0.331 0.000 1.220 361 P CA 0.329 63.291 63.100 -0.230 0.000 0.768 361 P CB 0.712 32.300 31.700 -0.187 0.000 0.848 362 L N 3.344 124.237 121.223 -0.551 0.000 2.416 362 L HA 0.419 4.759 4.340 -0.000 0.000 0.262 362 L C -0.199 176.252 176.870 -0.697 0.000 1.093 362 L CA -0.731 53.767 54.840 -0.571 0.000 0.801 362 L CB 0.382 42.023 42.059 -0.698 0.000 1.191 362 L HN 0.355 nan 8.230 nan 0.000 0.459 363 Y N -0.356 119.807 120.300 -0.228 0.000 2.317 363 Y HA 0.216 4.766 4.550 -0.000 0.000 0.329 363 Y C 0.037 175.827 175.900 -0.183 0.000 1.101 363 Y CA -0.729 57.260 58.100 -0.185 0.000 1.228 363 Y CB 1.190 39.548 38.460 -0.169 0.000 1.123 363 Y HN 0.552 nan 8.280 nan 0.000 0.457 364 E N 1.050 121.205 120.200 -0.075 0.000 2.504 364 E HA 0.037 4.387 4.350 -0.000 0.000 0.266 364 E C 1.071 177.632 176.600 -0.066 0.000 1.239 364 E CA 0.618 56.959 56.400 -0.097 0.000 1.064 364 E CB 0.613 30.267 29.700 -0.077 0.000 0.996 364 E HN 0.803 nan 8.360 nan 0.000 0.479 365 A N 1.995 124.774 122.820 -0.069 0.000 1.917 365 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 365 A C 1.747 179.358 177.584 0.045 0.000 1.182 365 A CA 2.335 54.375 52.037 0.005 0.000 0.633 365 A CB -0.965 18.050 19.000 0.024 0.000 0.819 365 A HN 0.754 nan 8.150 nan 0.000 0.448 366 N N -1.051 117.659 118.700 0.016 0.000 2.166 366 N HA 0.153 4.893 4.740 -0.000 0.000 0.186 366 N C 1.143 176.658 175.510 0.007 0.000 1.019 366 N CA 2.203 55.260 53.050 0.012 0.000 0.856 366 N CB -0.687 37.798 38.487 -0.002 0.000 0.993 366 N HN 1.031 nan 8.380 nan 0.000 0.426 367 G N -2.224 106.583 108.800 0.011 0.000 2.173 367 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.142 367 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.142 367 G C -0.797 174.114 174.900 0.018 0.000 1.019 367 G CA -0.277 44.814 45.100 -0.015 0.000 0.699 367 G HN 0.375 nan 8.290 nan 0.000 0.495 368 Q N 0.210 120.034 119.800 0.040 0.000 2.333 368 Q HA 0.670 5.010 4.340 -0.000 0.000 0.267 368 Q C 0.367 176.351 176.000 -0.027 0.000 1.012 368 Q CA -0.209 55.609 55.803 0.026 0.000 0.824 368 Q CB 2.235 30.960 28.738 -0.022 0.000 1.290 368 Q HN 0.817 nan 8.270 nan 0.000 0.449 369 A N 2.316 125.071 122.820 -0.108 0.000 2.591 369 A HA 0.066 4.386 4.320 -0.000 0.000 0.244 369 A C 0.359 177.785 177.584 -0.264 0.000 1.031 369 A CA -0.088 51.719 52.037 -0.383 0.000 0.767 369 A CB -0.038 18.748 19.000 -0.356 0.000 0.942 369 A HN 0.521 nan 8.150 nan 0.000 0.514 370 V N 5.999 125.727 119.914 -0.311 0.000 2.599 370 V HA 0.136 4.256 4.120 -0.000 0.000 0.300 370 V C -1.786 174.183 176.094 -0.208 0.000 1.034 370 V CA -0.510 61.654 62.300 -0.227 0.000 1.115 370 V CB 0.487 32.164 31.823 -0.244 0.000 0.934 370 V HN 0.824 nan 8.190 nan 0.000 0.485 371 P HA 0.295 nan 4.420 nan 0.000 0.284 371 P C 0.577 177.813 177.300 -0.107 0.000 1.253 371 P CA -0.702 62.327 63.100 -0.119 0.000 0.800 371 P CB 0.640 32.287 31.700 -0.089 0.000 0.961 372 K N 1.351 121.694 120.400 -0.095 0.000 2.189 372 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 372 K C 1.437 177.998 176.600 -0.066 0.000 1.046 372 K CA 1.349 57.589 56.287 -0.080 0.000 0.928 372 K CB -0.148 32.314 32.500 -0.063 0.000 0.720 372 K HN 0.502 nan 8.250 nan 0.000 0.458 373 E N 1.119 121.283 120.200 -0.061 0.000 2.051 373 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 373 E C 2.033 178.599 176.600 -0.057 0.000 0.991 373 E CA 1.049 57.418 56.400 -0.051 0.000 0.799 373 E CB 0.109 29.782 29.700 -0.046 0.000 0.748 373 E HN 0.235 nan 8.360 nan 0.000 0.449 374 K N 0.688 121.048 120.400 -0.068 0.000 1.991 374 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 374 K C 1.904 178.457 176.600 -0.078 0.000 1.045 374 K CA 0.701 56.944 56.287 -0.074 0.000 0.937 374 K CB -0.503 31.948 32.500 -0.082 0.000 0.720 374 K HN 0.047 nan 8.250 nan 0.000 0.438 375 D N 1.394 121.738 120.400 -0.095 0.000 2.242 375 D HA -0.228 4.412 4.640 -0.000 0.000 0.190 375 D C 1.521 177.784 176.300 -0.061 0.000 1.012 375 D CA 1.664 55.606 54.000 -0.097 0.000 0.875 375 D CB 0.132 40.855 40.800 -0.129 0.000 0.922 375 D HN 0.301 nan 8.370 nan 0.000 0.448 376 E N -1.307 118.860 120.200 -0.056 0.000 2.299 376 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 376 E C 2.081 178.656 176.600 -0.042 0.000 0.998 376 E CA 0.208 56.585 56.400 -0.039 0.000 0.851 376 E CB 0.143 29.824 29.700 -0.032 0.000 0.795 376 E HN 0.339 nan 8.360 nan 0.000 0.492 377 M N -0.361 119.207 119.600 -0.052 0.000 2.510 377 M HA -0.020 4.460 4.480 -0.000 0.000 0.256 377 M C 1.678 177.936 176.300 -0.071 0.000 1.132 377 M CA 0.292 55.561 55.300 -0.051 0.000 1.105 377 M CB 0.789 33.361 32.600 -0.047 0.000 1.375 377 M HN -0.001 nan 8.290 nan 0.000 0.477 378 V N -0.138 119.721 119.914 -0.091 0.000 2.331 378 V HA -0.180 3.940 4.120 -0.000 0.000 0.242 378 V C 2.029 177.987 176.094 -0.225 0.000 1.034 378 V CA 1.885 64.109 62.300 -0.127 0.000 1.027 378 V CB -0.787 30.980 31.823 -0.094 0.000 0.667 378 V HN 0.483 nan 8.190 nan 0.000 0.457 379 E N 0.600 120.629 120.200 -0.286 0.000 2.035 379 E HA -0.361 3.989 4.350 -0.000 0.000 0.204 379 E C 2.327 178.857 176.600 -0.117 0.000 1.025 379 E CA 2.281 58.442 56.400 -0.397 0.000 0.835 379 E CB -0.384 29.259 29.700 -0.094 0.000 0.764 379 E HN 0.584 nan 8.360 nan 0.000 0.457 380 Q N -0.187 119.584 119.800 -0.048 0.000 2.181 380 Q HA -0.260 4.080 4.340 -0.000 0.000 0.205 380 Q C 1.937 177.938 176.000 0.002 0.000 0.980 380 Q CA 1.863 57.664 55.803 -0.003 0.000 0.862 380 Q CB -0.023 28.711 28.738 -0.007 0.000 0.905 380 Q HN 0.255 nan 8.270 nan 0.000 0.429 381 E N -0.227 119.966 120.200 -0.012 0.000 2.072 381 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 381 E C 1.527 178.149 176.600 0.036 0.000 0.982 381 E CA 0.848 57.260 56.400 0.021 0.000 0.803 381 E CB -0.502 29.200 29.700 0.003 0.000 0.755 381 E HN 0.378 nan 8.360 nan 0.000 0.453 382 F N 1.611 121.462 119.950 -0.166 0.000 2.065 382 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 382 F C 1.822 177.607 175.800 -0.026 0.000 1.112 382 F CA 2.020 59.920 58.000 -0.168 0.000 1.212 382 F CB -0.488 38.292 39.000 -0.367 0.000 0.975 382 F HN 0.073 nan 8.300 nan 0.000 0.476 383 N N 0.405 119.052 118.700 -0.090 0.000 2.223 383 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 383 N C 1.974 177.421 175.510 -0.105 0.000 1.016 383 N CA 1.302 54.275 53.050 -0.130 0.000 0.863 383 N CB -0.320 38.195 38.487 0.046 0.000 0.983 383 N HN 0.419 nan 8.380 nan 0.000 0.429 384 R N 0.686 121.154 120.500 -0.053 0.000 2.075 384 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 384 R C 2.354 178.635 176.300 -0.031 0.000 1.126 384 R CA 0.672 56.756 56.100 -0.027 0.000 0.963 384 R CB -0.251 30.050 30.300 0.001 0.000 0.858 384 R HN 0.172 nan 8.270 nan 0.000 0.435 385 L N 0.473 121.673 121.223 -0.038 0.000 2.093 385 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 385 L C 2.304 179.148 176.870 -0.044 0.000 1.085 385 L CA 1.052 55.889 54.840 -0.005 0.000 0.755 385 L CB -0.314 41.792 42.059 0.077 0.000 0.904 385 L HN 0.231 nan 8.230 nan 0.000 0.435 386 L N -0.431 120.688 121.223 -0.173 0.000 1.961 386 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 386 L C 2.547 179.437 176.870 0.033 0.000 1.072 386 L CA 1.526 56.312 54.840 -0.091 0.000 0.749 386 L CB -0.458 41.507 42.059 -0.157 0.000 0.889 386 L HN 0.258 nan 8.230 nan 0.000 0.432 387 E N -0.365 119.847 120.200 0.020 0.000 2.187 387 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 387 E C 2.116 178.774 176.600 0.095 0.000 1.004 387 E CA 1.243 57.681 56.400 0.063 0.000 0.813 387 E CB -0.133 29.584 29.700 0.029 0.000 0.736 387 E HN 0.542 nan 8.360 nan 0.000 0.468 388 A N 0.792 123.649 122.820 0.061 0.000 1.902 388 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 388 A C 2.442 180.113 177.584 0.145 0.000 1.181 388 A CA 2.274 54.361 52.037 0.083 0.000 0.623 388 A CB -1.097 17.920 19.000 0.030 0.000 0.818 388 A HN 0.448 nan 8.150 nan 0.000 0.443 389 T N -2.864 111.759 114.554 0.114 0.000 2.777 389 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 389 T C 2.091 176.869 174.700 0.131 0.000 1.040 389 T CA 1.910 64.081 62.100 0.119 0.000 1.141 389 T CB -0.783 68.144 68.868 0.099 0.000 0.868 389 T HN 0.398 nan 8.240 nan 0.000 0.444 390 S N 0.359 116.159 115.700 0.167 0.000 2.383 390 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 390 S C 1.835 176.551 174.600 0.192 0.000 1.030 390 S CA 1.315 59.628 58.200 0.188 0.000 1.002 390 S CB -0.826 62.515 63.200 0.235 0.000 0.829 390 S HN 0.694 nan 8.310 nan 0.000 0.467 391 Y N 1.045 121.393 120.300 0.080 0.000 2.242 391 Y HA 0.043 4.593 4.550 0.000 0.000 0.291 391 Y C 1.880 177.803 175.900 0.038 0.000 1.137 391 Y CA 1.307 59.444 58.100 0.061 0.000 1.181 391 Y CB -0.414 38.064 38.460 0.030 0.000 0.989 391 Y HN 0.254 nan 8.280 nan 0.000 0.527 392 L N -0.523 120.739 121.223 0.065 0.000 2.079 392 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 392 L C 2.845 179.688 176.870 -0.045 0.000 1.081 392 L CA 2.067 56.906 54.840 -0.002 0.000 0.752 392 L CB -0.931 41.201 42.059 0.122 0.000 0.896 392 L HN 0.306 nan 8.230 nan 0.000 0.433 393 S N -1.590 114.049 115.700 -0.102 0.000 2.336 393 S HA -0.152 4.318 4.470 -0.000 0.000 0.216 393 S C 1.975 176.391 174.600 -0.307 0.000 1.032 393 S CA 1.128 59.180 58.200 -0.247 0.000 0.973 393 S CB -0.191 62.742 63.200 -0.446 0.000 0.888 393 S HN 0.593 nan 8.310 nan 0.000 0.455 394 H N 0.284 119.303 119.070 -0.085 0.000 2.372 394 H HA 0.171 4.727 4.556 -0.000 0.000 0.301 394 H C 2.522 177.764 175.328 -0.144 0.000 1.065 394 H CA 1.345 57.335 56.048 -0.096 0.000 1.364 394 H CB 0.074 29.796 29.762 -0.066 0.000 1.406 394 H HN 0.315 nan 8.280 nan 0.000 0.521 395 Q N 0.310 120.004 119.800 -0.177 0.000 2.165 395 Q HA 0.073 4.413 4.340 -0.000 0.000 0.197 395 Q C 2.209 178.018 176.000 -0.318 0.000 0.952 395 Q CA 0.680 56.298 55.803 -0.308 0.000 0.848 395 Q CB 0.189 28.569 28.738 -0.598 0.000 0.931 395 Q HN 0.462 nan 8.270 nan 0.000 0.470 396 L N 0.635 121.628 121.223 -0.383 0.000 2.446 396 L HA 0.032 4.372 4.340 -0.000 0.000 0.219 396 L C 0.186 177.018 176.870 -0.064 0.000 1.116 396 L CA 0.136 54.853 54.840 -0.205 0.000 0.844 396 L CB 0.059 42.004 42.059 -0.189 0.000 0.970 396 L HN 0.190 nan 8.230 nan 0.000 0.457 397 D N 0.032 120.396 120.400 -0.060 0.000 2.800 397 D HA -0.261 4.379 4.640 -0.000 0.000 0.232 397 D C -0.147 176.183 176.300 0.049 0.000 1.137 397 D CA 0.409 54.397 54.000 -0.020 0.000 0.718 397 D CB -1.137 39.654 40.800 -0.015 0.000 1.084 397 D HN 0.163 nan 8.370 nan 0.000 0.432 398 F N 1.308 121.199 119.950 -0.099 0.000 2.567 398 F HA 0.320 4.847 4.527 0.000 0.000 0.352 398 F C 0.963 176.723 175.800 -0.066 0.000 1.229 398 F CA -0.200 57.758 58.000 -0.070 0.000 1.228 398 F CB -0.123 38.841 39.000 -0.061 0.000 1.568 398 F HN -0.105 nan 8.300 nan 0.000 0.634 399 N N 2.252 120.783 118.700 -0.282 0.000 2.211 399 N HA 0.130 4.870 4.740 -0.000 0.000 0.216 399 N C -0.774 174.575 175.510 -0.270 0.000 1.240 399 N CA 0.351 53.236 53.050 -0.275 0.000 0.895 399 N CB 1.359 39.757 38.487 -0.149 0.000 1.102 399 N HN 0.198 nan 8.380 nan 0.000 0.498 400 V N 1.781 121.540 119.914 -0.259 0.000 2.680 400 V HA 0.536 4.656 4.120 -0.000 0.000 0.309 400 V C -0.936 175.020 176.094 -0.231 0.000 1.052 400 V CA -0.803 61.380 62.300 -0.194 0.000 0.908 400 V CB 2.701 34.467 31.823 -0.096 0.000 1.001 400 V HN -0.079 nan 8.190 nan 0.000 0.431 401 L N 4.231 125.346 121.223 -0.179 0.000 2.573 401 L HA 0.522 4.862 4.340 -0.000 0.000 0.260 401 L C -0.008 176.830 176.870 -0.053 0.000 0.997 401 L CA 0.045 54.813 54.840 -0.120 0.000 0.890 401 L CB 0.571 42.531 42.059 -0.165 0.000 1.179 401 L HN 0.816 nan 8.230 nan 0.000 0.439 402 N N 3.346 122.031 118.700 -0.024 0.000 2.758 402 N HA -0.265 4.475 4.740 -0.000 0.000 0.248 402 N C 0.475 175.974 175.510 -0.019 0.000 1.076 402 N CA 0.611 53.653 53.050 -0.012 0.000 0.696 402 N CB -1.020 37.464 38.487 -0.005 0.000 0.979 402 N HN 0.823 nan 8.380 nan 0.000 0.550 403 N N -2.186 116.498 118.700 -0.027 0.000 2.811 403 N HA -0.200 4.540 4.740 -0.000 0.000 0.211 403 N C -0.761 174.731 175.510 -0.030 0.000 0.990 403 N CA 2.039 55.075 53.050 -0.024 0.000 1.362 403 N CB -0.563 37.916 38.487 -0.013 0.000 0.940 403 N HN 0.444 nan 8.380 nan 0.000 0.572 404 K N 1.990 122.370 120.400 -0.033 0.000 2.436 404 K HA 0.197 4.517 4.320 -0.000 0.000 0.275 404 K C -2.387 174.177 176.600 -0.060 0.000 0.999 404 K CA -0.844 55.421 56.287 -0.036 0.000 0.980 404 K CB -0.016 32.465 32.500 -0.032 0.000 0.919 404 K HN 0.258 nan 8.250 nan 0.000 0.484 405 P HA 0.100 nan 4.420 nan 0.000 0.278 405 P C -0.230 177.015 177.300 -0.093 0.000 1.238 405 P CA -0.500 62.560 63.100 -0.067 0.000 0.794 405 P CB 0.712 32.401 31.700 -0.018 0.000 0.955 406 V N 2.785 122.601 119.914 -0.163 0.000 2.555 406 V HA 0.107 4.227 4.120 -0.000 0.000 0.286 406 V C 1.335 177.372 176.094 -0.095 0.000 1.044 406 V CA 0.152 62.335 62.300 -0.194 0.000 1.026 406 V CB 0.344 31.936 31.823 -0.385 0.000 0.981 406 V HN 0.743 nan 8.190 nan 0.000 0.480 407 S N 4.672 120.332 115.700 -0.067 0.000 2.669 407 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 407 S C 0.787 175.352 174.600 -0.059 0.000 1.225 407 S CA -0.576 57.597 58.200 -0.045 0.000 0.991 407 S CB 1.208 64.376 63.200 -0.053 0.000 0.987 407 S HN 0.506 nan 8.310 nan 0.000 0.552 408 L N 1.988 123.155 121.223 -0.093 0.000 2.046 408 L HA 0.164 4.504 4.340 -0.000 0.000 0.208 408 L C 2.420 179.189 176.870 -0.168 0.000 1.077 408 L CA 2.422 57.169 54.840 -0.155 0.000 0.747 408 L CB -1.575 40.277 42.059 -0.344 0.000 0.896 408 L HN 0.999 nan 8.230 nan 0.000 0.432 409 G N -1.378 107.308 108.800 -0.189 0.000 2.514 409 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.217 409 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.217 409 G C 1.475 176.296 174.900 -0.130 0.000 1.198 409 G CA 0.937 45.915 45.100 -0.203 0.000 0.780 409 G HN 0.508 nan 8.290 nan 0.000 0.565 410 Q N 0.060 119.817 119.800 -0.071 0.000 2.045 410 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 410 Q C 3.061 179.088 176.000 0.046 0.000 0.991 410 Q CA 1.652 57.450 55.803 -0.008 0.000 0.851 410 Q CB -0.354 28.389 28.738 0.009 0.000 0.911 410 Q HN 0.489 nan 8.270 nan 0.000 0.418 411 A N 0.519 123.378 122.820 0.065 0.000 1.908 411 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 411 A C 2.055 179.668 177.584 0.049 0.000 1.181 411 A CA 1.274 53.389 52.037 0.130 0.000 0.627 411 A CB -0.747 18.326 19.000 0.122 0.000 0.818 411 A HN 0.333 nan 8.150 nan 0.000 0.445 412 L N -0.894 120.314 121.223 -0.025 0.000 2.042 412 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 412 L C 2.641 179.507 176.870 -0.007 0.000 1.076 412 L CA 1.829 56.648 54.840 -0.035 0.000 0.749 412 L CB -0.530 41.423 42.059 -0.177 0.000 0.893 412 L HN 0.481 nan 8.230 nan 0.000 0.432 413 E N -0.500 119.682 120.200 -0.031 0.000 2.023 413 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 413 E C 2.217 178.826 176.600 0.016 0.000 1.003 413 E CA 1.636 58.036 56.400 0.001 0.000 0.809 413 E CB -0.203 29.493 29.700 -0.006 0.000 0.755 413 E HN 0.183 nan 8.360 nan 0.000 0.449 414 V N 0.699 120.624 119.914 0.020 0.000 2.546 414 V HA -0.233 3.887 4.120 -0.000 0.000 0.254 414 V C 2.071 178.135 176.094 -0.049 0.000 1.076 414 V CA 1.237 63.525 62.300 -0.019 0.000 1.087 414 V CB -0.197 31.604 31.823 -0.036 0.000 0.674 414 V HN 0.156 nan 8.190 nan 0.000 0.470 415 V N -0.836 119.068 119.914 -0.016 0.000 2.446 415 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 415 V C 2.062 178.133 176.094 -0.039 0.000 1.039 415 V CA 1.499 63.782 62.300 -0.028 0.000 1.045 415 V CB -0.132 31.696 31.823 0.007 0.000 0.681 415 V HN 0.407 nan 8.190 nan 0.000 0.459 416 I N -0.231 120.354 120.570 0.026 0.000 2.179 416 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 416 I C 2.631 178.741 176.117 -0.012 0.000 1.088 416 I CA 1.652 62.990 61.300 0.064 0.000 1.357 416 I CB -0.327 37.789 38.000 0.192 0.000 1.051 416 I HN 0.371 nan 8.210 nan 0.000 0.409 417 Q N 0.392 120.193 119.800 0.001 0.000 1.985 417 Q HA -0.253 4.087 4.340 -0.000 0.000 0.207 417 Q C 2.148 178.115 176.000 -0.055 0.000 0.996 417 Q CA 1.860 57.656 55.803 -0.012 0.000 0.851 417 Q CB -0.249 28.484 28.738 -0.009 0.000 0.921 417 Q HN 0.283 nan 8.270 nan 0.000 0.418 418 L N 0.647 121.824 121.223 -0.077 0.000 2.349 418 L HA -0.215 4.125 4.340 -0.000 0.000 0.220 418 L C 2.061 178.850 176.870 -0.135 0.000 1.130 418 L CA 1.526 56.312 54.840 -0.090 0.000 0.791 418 L CB -0.379 41.620 42.059 -0.099 0.000 0.918 418 L HN 0.251 nan 8.230 nan 0.000 0.444 419 Q N -1.010 118.638 119.800 -0.252 0.000 2.250 419 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 419 Q C 2.098 177.874 176.000 -0.373 0.000 0.941 419 Q CA 0.743 56.258 55.803 -0.480 0.000 0.872 419 Q CB 0.058 28.147 28.738 -1.081 0.000 0.965 419 Q HN 0.561 nan 8.270 nan 0.000 0.480 420 E N 0.930 121.006 120.200 -0.206 0.000 2.047 420 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 420 E C 1.950 178.556 176.600 0.010 0.000 0.987 420 E CA 0.693 57.089 56.400 -0.007 0.000 0.799 420 E CB 0.028 29.770 29.700 0.070 0.000 0.752 420 E HN 0.125 nan 8.360 nan 0.000 0.449 421 K N 0.810 121.209 120.400 -0.002 0.000 2.034 421 K HA -0.295 4.025 4.320 -0.000 0.000 0.214 421 K C 2.201 178.816 176.600 0.025 0.000 1.051 421 K CA 2.147 58.440 56.287 0.011 0.000 0.931 421 K CB -0.358 32.145 32.500 0.004 0.000 0.715 421 K HN 0.229 nan 8.250 nan 0.000 0.446 422 H N 0.085 119.114 119.070 -0.067 0.000 2.421 422 H HA -0.058 4.498 4.556 0.000 0.000 0.298 422 H C 1.907 177.216 175.328 -0.033 0.000 1.087 422 H CA 1.687 57.701 56.048 -0.056 0.000 1.330 422 H CB -0.024 29.688 29.762 -0.084 0.000 1.388 422 H HN 0.008 nan 8.280 nan 0.000 0.526 423 V N 1.063 120.952 119.914 -0.041 0.000 2.287 423 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 423 V C 2.280 178.322 176.094 -0.087 0.000 1.053 423 V CA 2.405 64.670 62.300 -0.059 0.000 1.027 423 V CB -0.395 31.481 31.823 0.088 0.000 0.646 423 V HN 0.498 nan 8.190 nan 0.000 0.447 424 K N -0.619 119.761 120.400 -0.033 0.000 1.984 424 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 424 K C 1.972 178.554 176.600 -0.030 0.000 1.046 424 K CA 1.627 57.912 56.287 -0.003 0.000 0.934 424 K CB -0.516 31.997 32.500 0.022 0.000 0.717 424 K HN 0.334 nan 8.250 nan 0.000 0.438 425 D N 0.925 121.289 120.400 -0.060 0.000 2.263 425 D HA -0.215 4.425 4.640 -0.000 0.000 0.193 425 D C 1.882 178.118 176.300 -0.106 0.000 1.013 425 D CA 1.338 55.294 54.000 -0.072 0.000 0.892 425 D CB -0.007 40.744 40.800 -0.082 0.000 0.909 425 D HN 0.235 nan 8.370 nan 0.000 0.449 426 E N 0.181 120.256 120.200 -0.208 0.000 2.028 426 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 426 E C 2.217 178.771 176.600 -0.077 0.000 0.984 426 E CA 0.416 56.701 56.400 -0.191 0.000 0.800 426 E CB -0.249 29.274 29.700 -0.296 0.000 0.758 426 E HN 0.448 nan 8.360 nan 0.000 0.448 427 Q N 0.537 120.313 119.800 -0.039 0.000 2.045 427 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 427 Q C 2.389 178.510 176.000 0.202 0.000 0.991 427 Q CA 1.339 57.181 55.803 0.065 0.000 0.851 427 Q CB -0.230 28.613 28.738 0.175 0.000 0.911 427 Q HN 0.244 nan 8.270 nan 0.000 0.418 428 I N 0.831 121.504 120.570 0.172 0.000 2.068 428 I HA -0.358 3.812 4.170 -0.000 0.000 0.238 428 I C 2.240 178.438 176.117 0.135 0.000 1.046 428 I CA 1.994 63.398 61.300 0.173 0.000 1.306 428 I CB -0.325 37.730 38.000 0.092 0.000 1.023 428 I HN 0.339 nan 8.210 nan 0.000 0.399 429 E N -0.273 119.965 120.200 0.064 0.000 2.409 429 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 429 E C 1.901 178.519 176.600 0.030 0.000 1.024 429 E CA 1.299 57.722 56.400 0.039 0.000 0.861 429 E CB -0.605 29.103 29.700 0.013 0.000 0.788 429 E HN 0.625 nan 8.360 nan 0.000 0.521 430 H N -0.199 118.812 119.070 -0.098 0.000 2.317 430 H HA -0.055 4.501 4.556 -0.000 0.000 0.304 430 H C 1.105 176.312 175.328 -0.202 0.000 1.067 430 H CA 1.492 57.410 56.048 -0.218 0.000 1.352 430 H CB -0.394 29.130 29.762 -0.396 0.000 1.398 430 H HN 0.338 nan 8.280 nan 0.000 0.510 431 W N 1.715 122.966 121.300 -0.082 0.000 2.374 431 W HA -0.032 4.628 4.660 -0.000 0.000 0.288 431 W C 2.763 179.216 176.519 -0.110 0.000 1.218 431 W CA 0.357 57.622 57.345 -0.133 0.000 1.245 431 W CB -0.015 29.439 29.460 -0.011 0.000 1.126 431 W HN 0.133 nan 8.180 nan 0.000 0.545 432 K N 0.682 121.165 120.400 0.139 0.000 2.360 432 K HA -0.158 4.162 4.320 -0.000 0.000 0.201 432 K C 1.793 178.398 176.600 0.009 0.000 1.046 432 K CA 0.967 57.294 56.287 0.067 0.000 0.945 432 K CB -0.081 32.451 32.500 0.054 0.000 0.750 432 K HN 0.126 nan 8.250 nan 0.000 0.464 433 K N 0.119 120.489 120.400 -0.050 0.000 2.284 433 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 433 K C 1.868 178.414 176.600 -0.089 0.000 1.048 433 K CA 0.198 56.437 56.287 -0.080 0.000 0.987 433 K CB 0.285 32.712 32.500 -0.120 0.000 0.800 433 K HN 0.080 nan 8.250 nan 0.000 0.486 434 I N 1.126 121.633 120.570 -0.104 0.000 2.163 434 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 434 I C 2.346 178.469 176.117 0.010 0.000 1.081 434 I CA 1.163 62.437 61.300 -0.043 0.000 1.353 434 I CB -0.456 37.553 38.000 0.014 0.000 1.054 434 I HN -0.009 nan 8.210 nan 0.000 0.407 435 V N -0.886 119.050 119.914 0.038 0.000 2.392 435 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 435 V C 2.393 178.491 176.094 0.007 0.000 1.059 435 V CA 1.851 64.166 62.300 0.024 0.000 1.051 435 V CB -0.974 30.865 31.823 0.027 0.000 0.658 435 V HN 0.380 nan 8.190 nan 0.000 0.455 436 K N -0.225 120.175 120.400 -0.000 0.000 2.147 436 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 436 K C 2.175 178.768 176.600 -0.011 0.000 1.049 436 K CA 1.928 58.211 56.287 -0.007 0.000 0.936 436 K CB -0.167 32.327 32.500 -0.011 0.000 0.722 436 K HN 0.641 nan 8.250 nan 0.000 0.446 437 T N -0.249 114.296 114.554 -0.015 0.000 2.983 437 T HA -0.067 4.283 4.350 -0.000 0.000 0.250 437 T C 1.475 176.168 174.700 -0.011 0.000 1.037 437 T CA 0.542 62.632 62.100 -0.017 0.000 1.142 437 T CB 0.068 68.920 68.868 -0.026 0.000 0.876 437 T HN 0.174 nan 8.240 nan 0.000 0.455 438 Q N 1.022 120.819 119.800 -0.004 0.000 2.508 438 Q HA -0.013 4.327 4.340 -0.000 0.000 0.214 438 Q C 1.694 177.692 176.000 -0.002 0.000 0.979 438 Q CA 1.051 56.855 55.803 0.001 0.000 0.911 438 Q CB 0.049 28.794 28.738 0.012 0.000 0.969 438 Q HN 0.549 nan 8.270 nan 0.000 0.504 439 E N -1.333 118.864 120.200 -0.005 0.000 2.485 439 E HA -0.011 4.339 4.350 -0.000 0.000 0.213 439 E C 1.107 177.701 176.600 -0.009 0.000 0.923 439 E CA -0.044 56.353 56.400 -0.005 0.000 1.054 439 E CB 0.263 29.961 29.700 -0.003 0.000 1.077 439 E HN 0.379 nan 8.360 nan 0.000 0.509 440 E N 0.297 120.490 120.200 -0.011 0.000 2.152 440 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 440 E C 1.960 178.550 176.600 -0.018 0.000 0.983 440 E CA 0.388 56.779 56.400 -0.014 0.000 0.818 440 E CB 0.234 29.924 29.700 -0.016 0.000 0.758 440 E HN 0.159 nan 8.360 nan 0.000 0.467 441 L N 1.713 122.926 121.223 -0.017 0.000 1.994 441 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 441 L C 2.287 179.146 176.870 -0.018 0.000 1.071 441 L CA 1.875 56.703 54.840 -0.020 0.000 0.745 441 L CB -0.485 41.565 42.059 -0.016 0.000 0.892 441 L HN -0.037 nan 8.230 nan 0.000 0.431 442 K N -0.450 119.942 120.400 -0.012 0.000 2.015 442 K HA -0.273 4.047 4.320 -0.000 0.000 0.220 442 K C 1.961 178.554 176.600 -0.011 0.000 1.055 442 K CA 2.269 58.550 56.287 -0.010 0.000 0.951 442 K CB -0.276 32.220 32.500 -0.007 0.000 0.725 442 K HN 0.435 nan 8.250 nan 0.000 0.449 443 E N 0.390 120.583 120.200 -0.012 0.000 2.219 443 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 443 E C 2.037 178.626 176.600 -0.017 0.000 0.998 443 E CA 1.021 57.414 56.400 -0.012 0.000 0.818 443 E CB -0.074 29.619 29.700 -0.011 0.000 0.741 443 E HN 0.263 nan 8.360 nan 0.000 0.477 444 L N 0.515 121.723 121.223 -0.025 0.000 2.095 444 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 444 L C 2.159 179.004 176.870 -0.042 0.000 1.080 444 L CA 1.018 55.836 54.840 -0.038 0.000 0.759 444 L CB -0.053 41.978 42.059 -0.048 0.000 0.914 444 L HN 0.052 nan 8.230 nan 0.000 0.439 445 L N -0.546 120.657 121.223 -0.033 0.000 2.141 445 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 445 L C 2.218 179.085 176.870 -0.006 0.000 1.094 445 L CA 0.741 55.566 54.840 -0.025 0.000 0.763 445 L CB -0.916 41.133 42.059 -0.016 0.000 0.908 445 L HN 0.362 nan 8.230 nan 0.000 0.437 446 N N 0.736 119.433 118.700 -0.004 0.000 2.120 446 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 446 N C 1.822 177.337 175.510 0.009 0.000 1.024 446 N CA 1.277 54.330 53.050 0.004 0.000 0.852 446 N CB -0.103 38.385 38.487 0.001 0.000 1.003 446 N HN 0.309 nan 8.380 nan 0.000 0.424 447 K N 0.444 120.844 120.400 -0.001 0.000 2.057 447 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 447 K C 2.094 178.705 176.600 0.019 0.000 1.049 447 K CA 0.985 57.274 56.287 0.003 0.000 0.931 447 K CB 0.003 32.496 32.500 -0.011 0.000 0.714 447 K HN 0.102 nan 8.250 nan 0.000 0.440 448 M N -0.124 119.476 119.600 -0.000 0.000 2.132 448 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 448 M C 2.141 178.530 176.300 0.148 0.000 1.065 448 M CA 1.052 56.372 55.300 0.033 0.000 1.122 448 M CB -0.000 32.537 32.600 -0.104 0.000 1.365 448 M HN -0.000 nan 8.290 nan 0.000 0.411 449 V N 1.007 120.973 119.914 0.087 0.000 2.392 449 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 449 V C 1.686 177.819 176.094 0.064 0.000 1.059 449 V CA 1.849 64.197 62.300 0.079 0.000 1.051 449 V CB -0.646 31.204 31.823 0.045 0.000 0.658 449 V HN 0.483 nan 8.190 nan 0.000 0.455 450 N N -0.708 118.024 118.700 0.053 0.000 2.396 450 N HA -0.054 4.686 4.740 -0.000 0.000 0.180 450 N C 1.320 176.860 175.510 0.049 0.000 1.028 450 N CA 0.751 53.825 53.050 0.040 0.000 0.893 450 N CB -0.105 38.400 38.487 0.029 0.000 0.967 450 N HN 0.341 nan 8.380 nan 0.000 0.440 451 L N 0.973 122.248 121.223 0.087 0.000 2.145 451 L HA 0.111 4.451 4.340 -0.000 0.000 0.201 451 L C 1.927 178.830 176.870 0.054 0.000 1.075 451 L CA 1.333 56.232 54.840 0.098 0.000 0.773 451 L CB -0.393 41.774 42.059 0.180 0.000 0.936 451 L HN -0.036 nan 8.230 nan 0.000 0.451 452 K N -0.597 119.844 120.400 0.069 0.000 2.362 452 K HA -0.244 4.076 4.320 -0.000 0.000 0.202 452 K C 1.778 178.345 176.600 -0.055 0.000 1.045 452 K CA 1.214 57.446 56.287 -0.091 0.000 0.936 452 K CB 0.225 32.687 32.500 -0.064 0.000 0.747 452 K HN 0.223 nan 8.250 nan 0.000 0.467 453 E N 0.986 121.182 120.200 -0.007 0.000 2.033 453 E HA -0.057 4.293 4.350 -0.000 0.000 0.189 453 E C 1.534 178.128 176.600 -0.010 0.000 0.979 453 E CA 1.420 57.816 56.400 -0.006 0.000 0.802 453 E CB 0.171 29.876 29.700 0.008 0.000 0.763 453 E HN 0.164 nan 8.360 nan 0.000 0.449 454 K N 0.059 120.457 120.400 -0.003 0.000 2.148 454 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 454 K C 2.240 178.832 176.600 -0.013 0.000 1.050 454 K CA 0.929 57.215 56.287 -0.002 0.000 0.942 454 K CB -0.094 32.409 32.500 0.005 0.000 0.724 454 K HN 0.207 nan 8.250 nan 0.000 0.446 455 I N 1.404 121.952 120.570 -0.037 0.000 2.142 455 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 455 I C 2.638 178.729 176.117 -0.042 0.000 1.078 455 I CA 1.169 62.431 61.300 -0.063 0.000 1.343 455 I CB -0.247 37.672 38.000 -0.135 0.000 1.046 455 I HN 0.144 nan 8.210 nan 0.000 0.405 456 K N 0.803 121.171 120.400 -0.052 0.000 2.059 456 K HA -0.290 4.030 4.320 -0.000 0.000 0.212 456 K C 2.070 178.692 176.600 0.036 0.000 1.050 456 K CA 2.004 58.276 56.287 -0.025 0.000 0.927 456 K CB -0.236 32.246 32.500 -0.031 0.000 0.714 456 K HN 0.373 nan 8.250 nan 0.000 0.447 457 E N 0.355 120.569 120.200 0.024 0.000 2.107 457 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 457 E C 2.072 178.700 176.600 0.046 0.000 0.982 457 E CA 0.365 56.785 56.400 0.033 0.000 0.809 457 E CB 0.094 29.804 29.700 0.017 0.000 0.756 457 E HN 0.240 nan 8.360 nan 0.000 0.459 458 L N 0.620 121.869 121.223 0.042 0.000 2.291 458 L HA -0.144 4.196 4.340 -0.000 0.000 0.214 458 L C 2.338 179.261 176.870 0.088 0.000 1.120 458 L CA 1.330 56.197 54.840 0.044 0.000 0.799 458 L CB -0.596 41.471 42.059 0.012 0.000 0.925 458 L HN 0.316 nan 8.230 nan 0.000 0.446 459 H N -0.355 118.712 119.070 -0.005 0.000 2.333 459 H HA -0.207 4.349 4.556 -0.000 0.000 0.302 459 H C 2.228 177.606 175.328 0.084 0.000 1.075 459 H CA 1.929 57.992 56.048 0.024 0.000 1.348 459 H CB 0.184 29.936 29.762 -0.017 0.000 1.393 459 H HN 0.122 nan 8.280 nan 0.000 0.509 460 Q N 0.730 120.579 119.800 0.081 0.000 2.096 460 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 460 Q C 2.327 178.315 176.000 -0.020 0.000 0.993 460 Q CA 2.296 58.103 55.803 0.007 0.000 0.862 460 Q CB -0.291 28.468 28.738 0.036 0.000 0.915 460 Q HN 0.677 nan 8.270 nan 0.000 0.416 461 Q N -1.473 118.336 119.800 0.014 0.000 2.014 461 Q HA -0.232 4.108 4.340 -0.000 0.000 0.207 461 Q C 2.012 178.017 176.000 0.008 0.000 0.993 461 Q CA 1.895 57.704 55.803 0.010 0.000 0.850 461 Q CB -0.484 28.269 28.738 0.025 0.000 0.916 461 Q HN 0.608 nan 8.270 nan 0.000 0.417 462 Y N 1.528 121.767 120.300 -0.102 0.000 2.224 462 Y HA -0.274 4.276 4.550 -0.000 0.000 0.289 462 Y C 2.254 178.066 175.900 -0.147 0.000 1.146 462 Y CA 1.760 59.794 58.100 -0.110 0.000 1.182 462 Y CB -0.034 38.367 38.460 -0.098 0.000 0.983 462 Y HN -0.088 nan 8.280 nan 0.000 0.524 463 K N 0.888 121.198 120.400 -0.150 0.000 2.001 463 K HA -0.234 4.086 4.320 -0.000 0.000 0.214 463 K C 2.006 178.470 176.600 -0.226 0.000 1.050 463 K CA 2.380 58.518 56.287 -0.248 0.000 0.934 463 K CB -0.433 31.931 32.500 -0.227 0.000 0.718 463 K HN 0.520 nan 8.250 nan 0.000 0.443 464 E N -0.927 119.185 120.200 -0.147 0.000 2.209 464 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 464 E C 1.695 178.216 176.600 -0.133 0.000 0.993 464 E CA 1.000 57.333 56.400 -0.111 0.000 0.819 464 E CB -0.114 29.546 29.700 -0.067 0.000 0.745 464 E HN 0.460 nan 8.360 nan 0.000 0.477 465 A N 0.295 123.004 122.820 -0.185 0.000 2.021 465 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 465 A C 2.136 179.582 177.584 -0.230 0.000 1.163 465 A CA 0.774 52.702 52.037 -0.181 0.000 0.676 465 A CB 0.166 19.062 19.000 -0.173 0.000 0.818 465 A HN 0.073 nan 8.150 nan 0.000 0.453 466 S N 0.102 115.601 115.700 -0.336 0.000 2.501 466 S HA -0.019 4.451 4.470 -0.000 0.000 0.220 466 S C 1.514 176.012 174.600 -0.169 0.000 0.997 466 S CA 0.491 58.518 58.200 -0.288 0.000 0.919 466 S CB -0.051 62.907 63.200 -0.403 0.000 0.778 466 S HN 0.556 nan 8.310 nan 0.000 0.523 467 E N 1.514 121.627 120.200 -0.145 0.000 2.106 467 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 467 E C 0.627 177.184 176.600 -0.072 0.000 0.984 467 E CA 0.379 56.724 56.400 -0.092 0.000 0.806 467 E CB -0.601 29.053 29.700 -0.076 0.000 0.750 467 E HN 0.247 nan 8.360 nan 0.000 0.458 468 V N 4.311 124.181 119.914 -0.075 0.000 2.519 468 V HA -0.104 4.016 4.120 -0.000 0.000 0.258 468 V C 0.854 176.916 176.094 -0.052 0.000 0.989 468 V CA 0.472 62.738 62.300 -0.055 0.000 1.170 468 V CB -0.683 31.109 31.823 -0.052 0.000 1.066 468 V HN 0.021 nan 8.190 nan 0.000 0.469 469 K N 5.739 126.115 120.400 -0.041 0.000 2.355 469 K HA 0.262 4.582 4.320 -0.000 0.000 0.270 469 K C -1.970 174.614 176.600 -0.027 0.000 1.003 469 K CA -1.298 54.968 56.287 -0.035 0.000 0.957 469 K CB 0.496 32.980 32.500 -0.027 0.000 0.939 469 K HN 0.334 nan 8.250 nan 0.000 0.482 470 P HA 0.145 nan 4.420 nan 0.000 0.273 470 P C -2.261 175.031 177.300 -0.013 0.000 1.250 470 P CA -0.882 62.208 63.100 -0.018 0.000 0.793 470 P CB -0.343 31.348 31.700 -0.016 0.000 1.011 471 P HA 0.257 nan 4.420 nan 0.000 0.279 471 P C -0.771 176.525 177.300 -0.007 0.000 1.239 471 P CA -0.216 62.879 63.100 -0.008 0.000 0.789 471 P CB 0.963 32.660 31.700 -0.005 0.000 0.933 472 R N 0.764 121.261 120.500 -0.005 0.000 2.854 472 R HA 0.520 4.860 4.340 -0.000 0.000 0.271 472 R C -0.346 175.957 176.300 0.006 0.000 0.996 472 R CA -0.892 55.208 56.100 -0.001 0.000 0.961 472 R CB 0.794 31.091 30.300 -0.004 0.000 1.182 472 R HN 0.365 nan 8.270 nan 0.000 0.479 473 D N 0.582 120.987 120.400 0.009 0.000 2.414 473 D HA -0.026 4.614 4.640 -0.000 0.000 0.259 473 D C 0.888 177.203 176.300 0.024 0.000 1.269 473 D CA -0.579 53.428 54.000 0.012 0.000 1.028 473 D CB 0.552 41.358 40.800 0.010 0.000 1.093 473 D HN 0.451 nan 8.370 nan 0.000 0.545 474 I N -0.456 120.128 120.570 0.023 0.000 2.286 474 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 474 I C 2.333 178.497 176.117 0.079 0.000 1.104 474 I CA 1.881 63.204 61.300 0.038 0.000 1.397 474 I CB -0.795 37.213 38.000 0.013 0.000 1.072 474 I HN 0.729 nan 8.210 nan 0.000 0.417 475 T N -1.029 113.566 114.554 0.068 0.000 2.720 475 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 475 T C 2.014 176.808 174.700 0.156 0.000 1.037 475 T CA 1.227 63.404 62.100 0.129 0.000 1.144 475 T CB -1.048 67.869 68.868 0.082 0.000 0.864 475 T HN 0.286 nan 8.240 nan 0.000 0.444 476 A N 1.254 124.124 122.820 0.084 0.000 2.019 476 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 476 A C 2.257 179.871 177.584 0.049 0.000 1.164 476 A CA 1.938 54.007 52.037 0.052 0.000 0.644 476 A CB -0.733 18.280 19.000 0.022 0.000 0.805 476 A HN 0.617 nan 8.150 nan 0.000 0.449 477 E N -1.153 119.093 120.200 0.078 0.000 2.060 477 E HA -0.039 4.311 4.350 -0.000 0.000 0.189 477 E C 1.572 178.241 176.600 0.114 0.000 0.974 477 E CA 0.814 57.256 56.400 0.069 0.000 0.808 477 E CB -0.422 29.317 29.700 0.064 0.000 0.768 477 E HN 0.468 nan 8.360 nan 0.000 0.453 478 F N 0.860 120.813 119.950 0.006 0.000 2.063 478 F HA -0.240 4.287 4.527 0.000 0.000 0.298 478 F C 1.948 177.765 175.800 0.029 0.000 1.109 478 F CA 1.681 59.691 58.000 0.017 0.000 1.212 478 F CB -0.790 38.218 39.000 0.014 0.000 0.973 478 F HN 0.185 nan 8.300 nan 0.000 0.480 479 L N -0.112 121.079 121.223 -0.053 0.000 1.963 479 L HA -0.274 4.066 4.340 -0.000 0.000 0.220 479 L C 2.437 179.225 176.870 -0.138 0.000 1.076 479 L CA 2.093 56.840 54.840 -0.155 0.000 0.772 479 L CB -0.984 41.057 42.059 -0.031 0.000 0.892 479 L HN 0.084 nan 8.230 nan 0.000 0.435 480 V N -0.175 119.696 119.914 -0.072 0.000 2.278 480 V HA -0.373 3.747 4.120 -0.000 0.000 0.251 480 V C 2.719 178.856 176.094 0.071 0.000 1.062 480 V CA 2.091 64.367 62.300 -0.039 0.000 1.038 480 V CB -0.752 31.020 31.823 -0.084 0.000 0.646 480 V HN 0.449 nan 8.190 nan 0.000 0.447 481 K N 0.025 120.418 120.400 -0.013 0.000 2.026 481 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 481 K C 2.505 179.071 176.600 -0.057 0.000 1.048 481 K CA 1.783 58.067 56.287 -0.006 0.000 0.929 481 K CB -0.957 31.542 32.500 -0.002 0.000 0.713 481 K HN 0.549 nan 8.250 nan 0.000 0.439 482 S N 1.570 117.072 115.700 -0.331 0.000 2.398 482 S HA -0.183 4.287 4.470 -0.000 0.000 0.220 482 S C 1.839 176.367 174.600 -0.120 0.000 1.038 482 S CA 1.513 59.489 58.200 -0.373 0.000 1.080 482 S CB -0.112 62.612 63.200 -0.793 0.000 1.039 482 S HN 0.127 nan 8.310 nan 0.000 0.419 483 K N 0.852 121.211 120.400 -0.070 0.000 2.189 483 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 483 K C 2.090 178.724 176.600 0.056 0.000 1.046 483 K CA 1.692 58.003 56.287 0.039 0.000 0.928 483 K CB -1.153 31.430 32.500 0.138 0.000 0.720 483 K HN 0.715 nan 8.250 nan 0.000 0.458 484 H N 1.053 120.140 119.070 0.029 0.000 2.299 484 H HA -0.044 4.511 4.556 -0.000 0.000 0.302 484 H C 2.274 177.539 175.328 -0.105 0.000 1.078 484 H CA 1.566 57.556 56.048 -0.098 0.000 1.323 484 H CB 0.174 29.945 29.762 0.017 0.000 1.381 484 H HN 0.121 nan 8.280 nan 0.000 0.498 485 R N 0.554 121.121 120.500 0.112 0.000 2.082 485 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 485 R C 1.740 178.017 176.300 -0.038 0.000 1.136 485 R CA 2.103 58.232 56.100 0.047 0.000 0.935 485 R CB -0.409 29.921 30.300 0.050 0.000 0.842 485 R HN 0.309 nan 8.270 nan 0.000 0.430 486 D N 0.753 121.129 120.400 -0.040 0.000 2.191 486 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 486 D C 1.852 178.107 176.300 -0.075 0.000 1.003 486 D CA 1.235 55.208 54.000 -0.045 0.000 0.867 486 D CB -0.227 40.551 40.800 -0.037 0.000 0.926 486 D HN 0.238 nan 8.370 nan 0.000 0.450 487 L N 0.235 121.378 121.223 -0.134 0.000 2.072 487 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 487 L C 2.345 179.106 176.870 -0.181 0.000 1.079 487 L CA 1.585 56.322 54.840 -0.172 0.000 0.752 487 L CB -0.464 41.434 42.059 -0.268 0.000 0.906 487 L HN 0.129 nan 8.230 nan 0.000 0.436 488 T N -3.039 111.384 114.554 -0.218 0.000 2.904 488 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 488 T C 1.881 176.535 174.700 -0.078 0.000 1.059 488 T CA 0.715 62.718 62.100 -0.161 0.000 1.137 488 T CB -0.606 68.166 68.868 -0.160 0.000 0.879 488 T HN 0.333 nan 8.240 nan 0.000 0.467 489 A N 2.197 124.984 122.820 -0.056 0.000 1.883 489 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 489 A C 2.368 179.942 177.584 -0.017 0.000 1.186 489 A CA 1.273 53.295 52.037 -0.025 0.000 0.624 489 A CB -0.922 18.069 19.000 -0.014 0.000 0.822 489 A HN 0.535 nan 8.150 nan 0.000 0.444 490 L N -0.919 120.288 121.223 -0.027 0.000 2.465 490 L HA -0.131 4.209 4.340 -0.000 0.000 0.224 490 L C 1.864 178.733 176.870 -0.001 0.000 1.145 490 L CA 0.456 55.291 54.840 -0.009 0.000 0.834 490 L CB -0.588 41.459 42.059 -0.020 0.000 0.944 490 L HN 0.490 nan 8.230 nan 0.000 0.451 491 C N -0.917 118.365 119.300 -0.029 0.000 2.780 491 C HA 0.003 4.463 4.460 -0.000 0.000 0.267 491 C C 2.625 177.628 174.990 0.021 0.000 1.266 491 C CA -0.168 58.839 59.018 -0.019 0.000 1.709 491 C CB 0.069 27.763 27.740 -0.076 0.000 1.975 491 C HN 0.420 nan 8.230 nan 0.000 0.582 492 K N 1.992 122.398 120.400 0.009 0.000 1.973 492 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 492 K C 1.807 178.427 176.600 0.033 0.000 1.045 492 K CA 1.687 57.983 56.287 0.015 0.000 0.937 492 K CB -0.242 32.261 32.500 0.005 0.000 0.721 492 K HN 0.472 nan 8.250 nan 0.000 0.438 493 E N -0.624 119.597 120.200 0.036 0.000 2.021 493 E HA -0.256 4.094 4.350 -0.000 0.000 0.200 493 E C 1.893 178.529 176.600 0.060 0.000 1.015 493 E CA 1.700 58.122 56.400 0.037 0.000 0.824 493 E CB -0.455 29.265 29.700 0.035 0.000 0.762 493 E HN 0.397 nan 8.360 nan 0.000 0.454 494 Y N 1.753 122.037 120.300 -0.027 0.000 2.639 494 Y HA -0.213 4.337 4.550 -0.000 0.000 0.289 494 Y C 1.241 177.125 175.900 -0.027 0.000 1.155 494 Y CA 1.155 59.239 58.100 -0.027 0.000 1.379 494 Y CB -0.003 38.438 38.460 -0.032 0.000 0.967 494 Y HN 0.021 nan 8.280 nan 0.000 0.569 495 D N -0.606 119.868 120.400 0.122 0.000 2.262 495 D HA -0.069 4.571 4.640 -0.000 0.000 0.212 495 D C 1.806 178.095 176.300 -0.019 0.000 0.964 495 D CA 0.829 54.866 54.000 0.061 0.000 0.875 495 D CB 0.009 40.850 40.800 0.067 0.000 0.996 495 D HN 0.488 nan 8.370 nan 0.000 0.497 496 E N 0.120 120.307 120.200 -0.022 0.000 2.153 496 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 496 E C 1.773 178.328 176.600 -0.075 0.000 0.988 496 E CA 0.498 56.875 56.400 -0.039 0.000 0.811 496 E CB 0.144 29.829 29.700 -0.024 0.000 0.746 496 E HN 0.123 nan 8.360 nan 0.000 0.466 497 L N 0.340 121.489 121.223 -0.123 0.000 2.109 497 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 497 L C 2.263 179.001 176.870 -0.219 0.000 1.086 497 L CA 1.432 56.165 54.840 -0.179 0.000 0.760 497 L CB -0.603 41.314 42.059 -0.236 0.000 0.910 497 L HN 0.038 nan 8.230 nan 0.000 0.437 498 A N -1.148 121.510 122.820 -0.269 0.000 2.067 498 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 498 A C 2.206 179.726 177.584 -0.106 0.000 1.158 498 A CA 1.391 53.303 52.037 -0.209 0.000 0.661 498 A CB -0.337 18.562 19.000 -0.168 0.000 0.801 498 A HN 0.376 nan 8.150 nan 0.000 0.452 499 E N -0.128 120.021 120.200 -0.084 0.000 2.001 499 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 499 E C 2.074 178.642 176.600 -0.054 0.000 0.994 499 E CA 2.049 58.417 56.400 -0.053 0.000 0.815 499 E CB -0.774 28.901 29.700 -0.041 0.000 0.770 499 E HN 0.420 nan 8.360 nan 0.000 0.453 500 T N 1.010 115.528 114.554 -0.059 0.000 2.592 500 T HA -0.318 4.032 4.350 -0.000 0.000 0.267 500 T C 1.775 176.441 174.700 -0.057 0.000 1.060 500 T CA 1.977 64.044 62.100 -0.054 0.000 1.167 500 T CB -0.520 68.314 68.868 -0.058 0.000 0.863 500 T HN 0.328 nan 8.240 nan 0.000 0.431 501 Q N 0.260 120.014 119.800 -0.077 0.000 2.133 501 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 501 Q C 2.496 178.467 176.000 -0.049 0.000 0.991 501 Q CA 1.968 57.729 55.803 -0.070 0.000 0.867 501 Q CB -0.654 28.026 28.738 -0.096 0.000 0.911 501 Q HN 0.632 nan 8.270 nan 0.000 0.417 502 G N 0.447 109.219 108.800 -0.047 0.000 2.422 502 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 502 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 502 G C 1.279 176.163 174.900 -0.026 0.000 1.140 502 G CA 0.722 45.803 45.100 -0.032 0.000 0.775 502 G HN 0.293 nan 8.290 nan 0.000 0.545 503 K N 0.022 120.405 120.400 -0.028 0.000 1.973 503 K HA 0.073 4.393 4.320 -0.000 0.000 0.210 503 K C 2.511 179.098 176.600 -0.022 0.000 1.045 503 K CA 0.937 57.211 56.287 -0.023 0.000 0.937 503 K CB -0.485 32.001 32.500 -0.024 0.000 0.721 503 K HN 0.226 nan 8.250 nan 0.000 0.438 504 L N 1.250 122.458 121.223 -0.025 0.000 1.990 504 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 504 L C 2.498 179.357 176.870 -0.019 0.000 1.072 504 L CA 1.558 56.385 54.840 -0.023 0.000 0.755 504 L CB -0.734 41.309 42.059 -0.025 0.000 0.889 504 L HN 0.333 nan 8.230 nan 0.000 0.432 505 E N -0.170 120.018 120.200 -0.020 0.000 2.233 505 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 505 E C 2.054 178.648 176.600 -0.009 0.000 1.004 505 E CA 1.851 58.243 56.400 -0.014 0.000 0.819 505 E CB 0.077 29.767 29.700 -0.016 0.000 0.738 505 E HN 0.661 nan 8.360 nan 0.000 0.478 506 E N 0.015 120.208 120.200 -0.011 0.000 2.201 506 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 506 E C 1.870 178.464 176.600 -0.009 0.000 0.957 506 E CA 0.163 56.558 56.400 -0.008 0.000 0.858 506 E CB -0.229 29.465 29.700 -0.009 0.000 0.816 506 E HN -0.063 nan 8.360 nan 0.000 0.475 507 K N 0.791 121.184 120.400 -0.013 0.000 2.589 507 K HA -0.055 4.265 4.320 -0.000 0.000 0.195 507 K C 1.556 178.145 176.600 -0.018 0.000 1.040 507 K CA 0.431 56.708 56.287 -0.016 0.000 0.950 507 K CB 0.078 32.567 32.500 -0.019 0.000 0.781 507 K HN 0.260 nan 8.250 nan 0.000 0.486 508 L N -0.551 120.664 121.223 -0.013 0.000 2.575 508 L HA 0.051 4.391 4.340 -0.000 0.000 0.228 508 L C 2.053 178.923 176.870 0.000 0.000 1.075 508 L CA 0.202 55.036 54.840 -0.010 0.000 0.867 508 L CB 0.211 42.268 42.059 -0.003 0.000 1.097 508 L HN 0.069 nan 8.230 nan 0.000 0.485 509 Q N -0.494 119.308 119.800 0.002 0.000 2.389 509 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 509 Q C 1.560 177.562 176.000 0.004 0.000 0.944 509 Q CA 0.523 56.331 55.803 0.008 0.000 0.908 509 Q CB 0.401 29.144 28.738 0.007 0.000 1.002 509 Q HN 0.279 nan 8.270 nan 0.000 0.493 510 E N 1.147 121.345 120.200 -0.003 0.000 1.997 510 E HA -0.179 4.171 4.350 -0.000 0.000 0.201 510 E C 1.690 178.290 176.600 -0.000 0.000 1.011 510 E CA 1.404 57.801 56.400 -0.005 0.000 0.847 510 E CB -0.406 29.288 29.700 -0.011 0.000 0.787 510 E HN 0.228 nan 8.360 nan 0.000 0.472 511 L N 0.217 121.434 121.223 -0.010 0.000 2.043 511 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 511 L C 2.661 179.562 176.870 0.052 0.000 1.075 511 L CA 1.906 56.744 54.840 -0.003 0.000 0.752 511 L CB -0.624 41.368 42.059 -0.111 0.000 0.891 511 L HN 0.330 nan 8.230 nan 0.000 0.432 512 E N -0.209 119.999 120.200 0.013 0.000 2.409 512 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 512 E C 1.950 178.572 176.600 0.038 0.000 1.024 512 E CA 0.748 57.173 56.400 0.042 0.000 0.861 512 E CB 0.162 29.905 29.700 0.072 0.000 0.788 512 E HN 0.474 nan 8.360 nan 0.000 0.521 513 A N 1.084 123.916 122.820 0.019 0.000 2.014 513 A HA 0.005 4.325 4.320 -0.000 0.000 0.210 513 A C 0.703 178.273 177.584 -0.024 0.000 1.188 513 A CA 0.101 52.140 52.037 0.003 0.000 0.731 513 A CB 0.078 19.080 19.000 0.003 0.000 0.858 513 A HN 0.314 nan 8.150 nan 0.000 0.464 514 N N 1.642 120.320 118.700 -0.037 0.000 3.091 514 N HA 0.275 5.015 4.740 -0.000 0.000 0.255 514 N C -3.169 172.223 175.510 -0.197 0.000 1.204 514 N CA -1.164 51.836 53.050 -0.083 0.000 0.990 514 N CB 0.803 39.254 38.487 -0.060 0.000 1.260 514 N HN 0.137 nan 8.380 nan 0.000 0.502 515 P HA 0.326 nan 4.420 nan 0.000 0.278 515 P C -2.167 174.868 177.300 -0.441 0.000 1.238 515 P CA -0.886 61.877 63.100 -0.562 0.000 0.794 515 P CB 0.576 32.062 31.700 -0.356 0.000 0.955 516 P HA 0.053 nan 4.420 nan 0.000 0.272 516 P C -0.202 176.991 177.300 -0.179 0.000 1.254 516 P CA -0.191 62.730 63.100 -0.298 0.000 0.795 516 P CB 0.176 31.698 31.700 -0.297 0.000 1.022 517 S N 0.960 116.606 115.700 -0.090 0.000 2.702 517 S HA -0.098 4.372 4.470 -0.000 0.000 0.314 517 S C 1.317 175.914 174.600 -0.006 0.000 1.244 517 S CA 0.059 58.243 58.200 -0.027 0.000 1.058 517 S CB -0.255 62.961 63.200 0.026 0.000 0.783 517 S HN 0.527 nan 8.310 nan 0.000 0.503 518 D N 1.491 121.898 120.400 0.011 0.000 2.092 518 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 518 D C 0.729 177.064 176.300 0.057 0.000 0.994 518 D CA 1.486 55.510 54.000 0.040 0.000 0.828 518 D CB 0.203 41.023 40.800 0.033 0.000 0.963 518 D HN 0.479 nan 8.370 nan 0.000 0.450 519 V N -2.791 117.159 119.914 0.059 0.000 3.114 519 V HA 0.245 4.365 4.120 -0.000 0.000 0.308 519 V C 0.647 176.817 176.094 0.126 0.000 1.168 519 V CA -0.995 61.355 62.300 0.083 0.000 1.015 519 V CB 1.317 33.172 31.823 0.054 0.000 1.050 519 V HN 0.027 nan 8.190 nan 0.000 0.433 520 Y N 2.895 123.216 120.300 0.035 0.000 2.133 520 Y HA 0.411 4.961 4.550 -0.000 0.000 0.287 520 Y C 0.355 176.276 175.900 0.035 0.000 1.134 520 Y CA 1.263 59.388 58.100 0.042 0.000 1.133 520 Y CB 0.183 38.675 38.460 0.054 0.000 0.987 520 Y HN 0.567 nan 8.280 nan 0.000 0.502 521 L N 0.127 121.225 121.223 -0.208 0.000 2.513 521 L HA 0.293 4.633 4.340 -0.000 0.000 0.261 521 L C -0.091 176.726 176.870 -0.088 0.000 0.945 521 L CA -0.698 53.984 54.840 -0.262 0.000 0.848 521 L CB 2.033 43.850 42.059 -0.402 0.000 1.334 521 L HN 0.052 nan 8.230 nan 0.000 0.407 522 S N 0.443 116.101 115.700 -0.069 0.000 2.641 522 S HA 0.245 4.715 4.470 -0.000 0.000 0.261 522 S C 1.068 175.658 174.600 -0.017 0.000 1.257 522 S CA -0.079 58.104 58.200 -0.028 0.000 0.983 522 S CB 1.398 64.583 63.200 -0.026 0.000 0.990 522 S HN 0.553 nan 8.310 nan 0.000 0.572 523 S N -0.106 115.592 115.700 -0.002 0.000 2.383 523 S HA -0.033 4.437 4.470 -0.000 0.000 0.227 523 S C 2.026 176.627 174.600 0.001 0.000 1.026 523 S CA 1.033 59.238 58.200 0.007 0.000 0.981 523 S CB -0.500 62.707 63.200 0.012 0.000 0.818 523 S HN 0.698 nan 8.310 nan 0.000 0.472 524 R N 0.974 121.467 120.500 -0.012 0.000 2.066 524 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 524 R C 1.795 178.078 176.300 -0.028 0.000 1.131 524 R CA 1.594 57.682 56.100 -0.021 0.000 0.955 524 R CB -0.192 30.090 30.300 -0.030 0.000 0.851 524 R HN 0.327 nan 8.270 nan 0.000 0.432 525 D N 0.009 120.385 120.400 -0.041 0.000 2.108 525 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 525 D C 1.885 178.162 176.300 -0.037 0.000 0.995 525 D CA 1.235 55.200 54.000 -0.059 0.000 0.834 525 D CB -0.321 40.420 40.800 -0.098 0.000 0.967 525 D HN 0.016 nan 8.370 nan 0.000 0.446 526 R N 1.274 121.760 120.500 -0.023 0.000 2.133 526 R HA -0.160 4.180 4.340 -0.000 0.000 0.247 526 R C 2.107 178.443 176.300 0.061 0.000 1.151 526 R CA 1.469 57.586 56.100 0.027 0.000 0.971 526 R CB -0.679 29.646 30.300 0.043 0.000 0.866 526 R HN 0.312 nan 8.270 nan 0.000 0.447 527 Q N -0.820 119.005 119.800 0.042 0.000 2.167 527 Q HA -0.050 4.290 4.340 -0.000 0.000 0.202 527 Q C 2.024 178.063 176.000 0.065 0.000 0.970 527 Q CA 1.655 57.491 55.803 0.055 0.000 0.855 527 Q CB -0.027 28.727 28.738 0.028 0.000 0.911 527 Q HN 0.408 nan 8.270 nan 0.000 0.438 528 I N -0.129 120.462 120.570 0.035 0.000 2.406 528 I HA -0.219 3.951 4.170 -0.000 0.000 0.249 528 I C 2.046 178.248 176.117 0.143 0.000 1.122 528 I CA 0.310 61.639 61.300 0.049 0.000 1.431 528 I CB -0.090 37.899 38.000 -0.018 0.000 1.087 528 I HN 0.200 nan 8.210 nan 0.000 0.424 529 L N 0.869 122.130 121.223 0.064 0.000 2.127 529 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 529 L C 1.823 178.632 176.870 -0.102 0.000 1.089 529 L CA 1.951 56.764 54.840 -0.046 0.000 0.757 529 L CB -0.727 41.288 42.059 -0.075 0.000 0.899 529 L HN 0.170 nan 8.230 nan 0.000 0.434 530 D N -1.558 118.906 120.400 0.105 0.000 2.144 530 D HA -0.247 4.393 4.640 -0.000 0.000 0.200 530 D C 1.764 178.147 176.300 0.138 0.000 0.978 530 D CA 1.209 55.333 54.000 0.206 0.000 0.833 530 D CB -0.293 40.625 40.800 0.196 0.000 0.961 530 D HN 0.605 nan 8.370 nan 0.000 0.470 531 W N 1.025 122.283 121.300 -0.071 0.000 2.388 531 W HA -0.170 4.490 4.660 0.000 0.000 0.294 531 W C 2.328 178.683 176.519 -0.273 0.000 1.212 531 W CA 1.322 58.601 57.345 -0.111 0.000 1.271 531 W CB -0.168 29.240 29.460 -0.087 0.000 1.126 531 W HN 0.078 nan 8.180 nan 0.000 0.535 532 H N -0.630 118.471 119.070 0.051 0.000 2.352 532 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 532 H C 2.007 176.926 175.328 -0.681 0.000 1.097 532 H CA 2.173 57.880 56.048 -0.567 0.000 1.311 532 H CB -0.917 28.209 29.762 -1.060 0.000 1.377 532 H HN 0.182 nan 8.280 nan 0.000 0.504 533 F N 0.881 120.758 119.950 -0.122 0.000 2.171 533 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 533 F C 2.817 178.452 175.800 -0.274 0.000 1.090 533 F CA 0.713 58.673 58.000 -0.067 0.000 1.293 533 F CB -0.989 38.018 39.000 0.012 0.000 1.013 533 F HN 0.115 nan 8.300 nan 0.000 0.486 534 A N 0.224 122.861 122.820 -0.305 0.000 1.908 534 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 534 A C 2.211 179.259 177.584 -0.893 0.000 1.181 534 A CA 2.067 53.627 52.037 -0.794 0.000 0.627 534 A CB -1.070 17.135 19.000 -1.324 0.000 0.818 534 A HN 0.395 nan 8.150 nan 0.000 0.445 535 N N -0.115 118.133 118.700 -0.753 0.000 2.036 535 N HA -0.174 4.566 4.740 -0.000 0.000 0.195 535 N C 1.559 177.110 175.510 0.069 0.000 1.037 535 N CA 1.856 54.760 53.050 -0.243 0.000 0.855 535 N CB -0.532 37.706 38.487 -0.414 0.000 1.033 535 N HN 0.302 nan 8.380 nan 0.000 0.423 536 L N 1.756 122.990 121.223 0.018 0.000 2.042 536 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 536 L C 1.923 178.775 176.870 -0.030 0.000 1.076 536 L CA 1.742 56.631 54.840 0.081 0.000 0.749 536 L CB -0.726 41.439 42.059 0.178 0.000 0.893 536 L HN 0.308 nan 8.230 nan 0.000 0.432 537 E N -1.389 118.756 120.200 -0.091 0.000 2.204 537 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 537 E C 2.034 178.598 176.600 -0.061 0.000 0.990 537 E CA 1.360 57.681 56.400 -0.132 0.000 0.821 537 E CB -0.392 29.201 29.700 -0.177 0.000 0.750 537 E HN 0.623 nan 8.360 nan 0.000 0.477 538 F N 1.888 121.767 119.950 -0.118 0.000 2.118 538 F HA 0.081 4.608 4.527 0.000 0.000 0.293 538 F C 2.344 178.235 175.800 0.152 0.000 1.102 538 F CA 1.160 59.188 58.000 0.047 0.000 1.247 538 F CB -0.537 38.596 39.000 0.222 0.000 1.017 538 F HN -0.083 nan 8.300 nan 0.000 0.475 539 A N 0.771 123.234 122.820 -0.596 0.000 1.948 539 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 539 A C 1.782 179.312 177.584 -0.090 0.000 1.177 539 A CA 1.998 53.731 52.037 -0.507 0.000 0.636 539 A CB -0.964 17.976 19.000 -0.101 0.000 0.815 539 A HN 0.643 nan 8.150 nan 0.000 0.449 540 N N -0.800 117.889 118.700 -0.018 0.000 2.230 540 N HA 0.277 5.017 4.740 -0.000 0.000 0.202 540 N C 0.596 176.091 175.510 -0.025 0.000 1.119 540 N CA 0.748 53.847 53.050 0.082 0.000 0.851 540 N CB 0.297 38.798 38.487 0.023 0.000 0.990 540 N HN 0.548 nan 8.380 nan 0.000 0.497 541 A N 0.839 123.581 122.820 -0.129 0.000 2.596 541 A HA -0.186 4.134 4.320 -0.000 0.000 0.300 541 A C 0.383 177.802 177.584 -0.274 0.000 1.495 541 A CA 1.625 53.478 52.037 -0.307 0.000 0.769 541 A CB -1.934 16.545 19.000 -0.869 0.000 1.047 541 A HN 0.342 nan 8.150 nan 0.000 0.436 542 T N -1.630 112.760 114.554 -0.273 0.000 2.907 542 T HA 0.504 4.854 4.350 -0.000 0.000 0.344 542 T C -3.345 171.177 174.700 -0.297 0.000 1.675 542 T CA -0.543 61.352 62.100 -0.342 0.000 1.076 542 T CB 1.290 69.728 68.868 -0.716 0.000 1.483 542 T HN 0.058 nan 8.240 nan 0.000 0.487 543 P HA 0.046 nan 4.420 nan 0.000 0.257 543 P C 1.310 178.463 177.300 -0.246 0.000 1.153 543 P CA 0.421 63.399 63.100 -0.203 0.000 0.762 543 P CB 0.082 31.691 31.700 -0.152 0.000 0.743 544 L N 2.506 123.585 121.223 -0.239 0.000 2.447 544 L HA -0.187 4.152 4.340 -0.000 0.000 0.225 544 L C 2.103 178.840 176.870 -0.220 0.000 1.148 544 L CA 1.757 56.436 54.840 -0.268 0.000 0.808 544 L CB -1.044 40.834 42.059 -0.302 0.000 0.928 544 L HN 0.411 nan 8.230 nan 0.000 0.448 545 S N -1.693 113.901 115.700 -0.177 0.000 2.527 545 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 545 S C 1.865 176.410 174.600 -0.092 0.000 0.985 545 S CA 0.757 58.883 58.200 -0.123 0.000 0.921 545 S CB -0.359 62.783 63.200 -0.097 0.000 0.772 545 S HN 0.566 nan 8.310 nan 0.000 0.529 546 T N -0.337 114.142 114.554 -0.126 0.000 3.037 546 T HA 0.367 4.717 4.350 -0.000 0.000 0.252 546 T C 0.616 175.312 174.700 -0.006 0.000 1.073 546 T CA -0.387 61.678 62.100 -0.059 0.000 1.091 546 T CB -0.559 68.259 68.868 -0.082 0.000 0.935 546 T HN 0.315 nan 8.240 nan 0.000 0.488 547 L N 2.622 123.778 121.223 -0.112 0.000 2.467 547 L HA 0.320 4.660 4.340 -0.000 0.000 0.270 547 L C 0.847 177.788 176.870 0.118 0.000 1.205 547 L CA -0.574 54.276 54.840 0.016 0.000 0.828 547 L CB 0.702 42.701 42.059 -0.100 0.000 1.101 547 L HN 0.205 nan 8.230 nan 0.000 0.479 548 S N 1.621 117.473 115.700 0.254 0.000 2.523 548 S HA 0.114 4.584 4.470 -0.000 0.000 0.275 548 S C 0.742 175.496 174.600 0.256 0.000 1.281 548 S CA -0.741 57.600 58.200 0.236 0.000 1.050 548 S CB 0.781 64.168 63.200 0.312 0.000 0.937 548 S HN 0.523 nan 8.310 nan 0.000 0.492 549 L N 6.090 127.392 121.223 0.132 0.000 1.961 549 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 549 L C 2.489 179.425 176.870 0.110 0.000 1.072 549 L CA 2.042 56.958 54.840 0.127 0.000 0.749 549 L CB -0.782 41.283 42.059 0.009 0.000 0.889 549 L HN 0.871 nan 8.230 nan 0.000 0.432 550 K N -1.806 118.546 120.400 -0.081 0.000 2.113 550 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 550 K C 1.553 177.937 176.600 -0.360 0.000 1.047 550 K CA 1.902 57.973 56.287 -0.360 0.000 0.928 550 K CB -0.098 32.041 32.500 -0.603 0.000 0.716 550 K HN 0.611 nan 8.250 nan 0.000 0.446 551 H N -1.930 117.216 119.070 0.127 0.000 3.170 551 H HA -0.019 4.537 4.556 0.000 0.000 0.264 551 H C 1.493 176.868 175.328 0.079 0.000 1.113 551 H CA 0.262 56.360 56.048 0.083 0.000 1.194 551 H CB -0.049 29.771 29.762 0.096 0.000 1.553 551 H HN 0.444 nan 8.280 nan 0.000 0.538 552 W N 3.302 124.702 121.300 0.167 0.000 2.313 552 W HA -0.173 4.487 4.660 0.000 0.000 0.293 552 W C 0.051 176.640 176.519 0.116 0.000 1.216 552 W CA 1.516 58.948 57.345 0.146 0.000 1.223 552 W CB -0.543 28.977 29.460 0.100 0.000 1.138 552 W HN 0.153 nan 8.180 nan 0.000 0.535 553 D N 1.165 120.996 120.400 -0.949 0.000 2.501 553 D HA -0.047 4.593 4.640 -0.000 0.000 0.226 553 D C 1.676 177.712 176.300 -0.440 0.000 1.198 553 D CA 0.350 53.751 54.000 -0.998 0.000 0.830 553 D CB -0.538 39.264 40.800 -1.665 0.000 1.014 553 D HN 0.307 nan 8.370 nan 0.000 0.496 554 Q N 1.279 120.953 119.800 -0.209 0.000 2.376 554 Q HA -0.214 4.126 4.340 -0.000 0.000 0.211 554 Q C 0.951 176.904 176.000 -0.078 0.000 0.986 554 Q CA 1.894 57.650 55.803 -0.078 0.000 0.886 554 Q CB -0.694 28.071 28.738 0.045 0.000 0.927 554 Q HN 0.377 nan 8.270 nan 0.000 0.457 555 D N -0.767 119.557 120.400 -0.128 0.000 2.325 555 D HA -0.047 4.593 4.640 -0.000 0.000 0.225 555 D C 0.202 176.459 176.300 -0.072 0.000 1.096 555 D CA 0.049 54.007 54.000 -0.070 0.000 0.844 555 D CB -0.010 40.684 40.800 -0.176 0.000 0.925 555 D HN 0.102 nan 8.370 nan 0.000 0.513 556 D N 1.515 121.813 120.400 -0.170 0.000 2.117 556 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 556 D C 1.163 177.299 176.300 -0.272 0.000 0.987 556 D CA 0.918 54.792 54.000 -0.210 0.000 0.829 556 D CB -0.051 40.612 40.800 -0.227 0.000 0.961 556 D HN 0.139 nan 8.370 nan 0.000 0.460 557 D N -0.808 119.310 120.400 -0.471 0.000 2.311 557 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 557 D C 0.982 176.831 176.300 -0.753 0.000 0.972 557 D CA 0.565 54.137 54.000 -0.713 0.000 0.887 557 D CB -0.192 39.965 40.800 -1.073 0.000 0.915 557 D HN 0.350 nan 8.370 nan 0.000 0.497 558 F N 0.454 120.275 119.950 -0.214 0.000 2.653 558 F HA 0.198 4.725 4.527 -0.000 0.000 0.304 558 F C 0.978 176.604 175.800 -0.291 0.000 1.092 558 F CA -0.644 57.198 58.000 -0.264 0.000 1.279 558 F CB -0.144 38.539 39.000 -0.528 0.000 1.044 558 F HN -0.277 nan 8.300 nan 0.000 0.564 559 E N 1.319 121.440 120.200 -0.132 0.000 2.568 559 E HA -0.046 4.304 4.350 -0.000 0.000 0.262 559 E C -0.244 176.349 176.600 -0.011 0.000 0.961 559 E CA -0.099 56.222 56.400 -0.132 0.000 0.945 559 E CB 0.494 30.179 29.700 -0.025 0.000 0.924 559 E HN -0.024 nan 8.360 nan 0.000 0.467 560 F N 1.116 121.125 119.950 0.099 0.000 2.426 560 F HA 0.119 4.646 4.527 -0.000 0.000 0.309 560 F C 1.269 177.155 175.800 0.143 0.000 1.246 560 F CA -0.507 57.542 58.000 0.081 0.000 1.229 560 F CB 0.363 39.362 39.000 -0.003 0.000 1.255 560 F HN 0.310 nan 8.300 nan 0.000 0.558 561 T N -1.317 113.469 114.554 0.387 0.000 2.918 561 T HA 0.785 5.135 4.350 -0.000 0.000 0.286 561 T C -0.192 174.654 174.700 0.242 0.000 1.026 561 T CA -0.162 62.112 62.100 0.290 0.000 1.031 561 T CB 1.408 70.452 68.868 0.293 0.000 1.046 561 T HN 1.433 nan 8.240 nan 0.000 0.479 562 G N 1.405 110.324 108.800 0.198 0.000 2.555 562 G HA2 0.201 4.161 3.960 -0.000 0.000 0.686 562 G HA3 0.201 4.161 3.960 -0.000 0.000 0.686 562 G C -0.487 174.535 174.900 0.203 0.000 1.275 562 G CA -0.592 44.607 45.100 0.166 0.000 0.871 562 G HN 1.398 nan 8.290 nan 0.000 0.603 563 S N 0.719 116.516 115.700 0.163 0.000 2.548 563 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 563 S C 0.401 175.178 174.600 0.295 0.000 1.315 563 S CA -0.625 57.680 58.200 0.174 0.000 1.050 563 S CB 0.806 64.076 63.200 0.117 0.000 0.918 563 S HN 0.738 nan 8.310 nan 0.000 0.497 564 H N 0.913 120.062 119.070 0.132 0.000 2.929 564 H HA 0.424 4.980 4.556 0.000 0.000 0.358 564 H C -0.130 175.267 175.328 0.115 0.000 1.111 564 H CA -0.144 55.991 56.048 0.144 0.000 1.409 564 H CB -0.022 29.851 29.762 0.185 0.000 1.373 564 H HN 0.428 nan 8.280 nan 0.000 0.610 565 L N 0.492 121.830 121.223 0.191 0.000 2.359 565 L HA 0.482 4.822 4.340 -0.000 0.000 0.256 565 L C 0.236 177.132 176.870 0.043 0.000 1.026 565 L CA -0.741 54.160 54.840 0.100 0.000 0.828 565 L CB 2.289 44.379 42.059 0.050 0.000 1.406 565 L HN 0.820 nan 8.230 nan 0.000 0.413 566 T N -2.091 112.463 114.554 0.000 0.000 2.942 566 T HA 0.751 5.101 4.350 -0.000 0.000 0.289 566 T C -0.714 173.931 174.700 -0.091 0.000 1.044 566 T CA -0.811 61.246 62.100 -0.072 0.000 1.023 566 T CB 1.678 70.478 68.868 -0.113 0.000 1.123 566 T HN 0.204 nan 8.240 nan 0.000 0.512 567 V N 2.734 122.574 119.914 -0.123 0.000 2.304 567 V HA 0.383 4.503 4.120 -0.000 0.000 0.269 567 V C 1.566 177.704 176.094 0.073 0.000 1.036 567 V CA -0.630 61.606 62.300 -0.107 0.000 0.840 567 V CB 0.379 32.018 31.823 -0.308 0.000 1.036 567 V HN 0.932 nan 8.190 nan 0.000 0.466 568 R N 3.622 124.172 120.500 0.084 0.000 2.090 568 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 568 R C 1.929 178.361 176.300 0.221 0.000 1.110 568 R CA 1.536 57.749 56.100 0.190 0.000 0.973 568 R CB 0.114 30.487 30.300 0.121 0.000 0.869 568 R HN 0.890 nan 8.270 nan 0.000 0.440 569 N N -0.270 118.502 118.700 0.120 0.000 2.521 569 N HA 0.043 4.783 4.740 -0.000 0.000 0.188 569 N C 0.103 175.659 175.510 0.078 0.000 1.146 569 N CA 0.981 54.082 53.050 0.085 0.000 0.893 569 N CB 0.360 38.879 38.487 0.054 0.000 0.975 569 N HN 0.235 nan 8.380 nan 0.000 0.451 570 G N -0.479 108.392 108.800 0.118 0.000 2.788 570 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.686 570 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.686 570 G C -0.444 174.553 174.900 0.161 0.000 1.147 570 G CA -0.322 44.852 45.100 0.123 0.000 0.755 570 G HN 0.031 nan 8.290 nan 0.000 0.634 571 Y N 1.915 122.272 120.300 0.095 0.000 2.314 571 Y HA -0.065 4.485 4.550 -0.000 0.000 0.293 571 Y C 3.135 179.073 175.900 0.063 0.000 1.129 571 Y CA 2.247 60.394 58.100 0.079 0.000 1.201 571 Y CB -0.327 38.181 38.460 0.080 0.000 0.999 571 Y HN 1.034 nan 8.280 nan 0.000 0.541 572 S N -0.669 115.176 115.700 0.242 0.000 2.402 572 S HA -0.283 4.187 4.470 -0.000 0.000 0.233 572 S C 2.350 177.024 174.600 0.123 0.000 1.030 572 S CA 1.307 59.591 58.200 0.139 0.000 1.003 572 S CB -1.834 61.422 63.200 0.095 0.000 0.813 572 S HN 0.658 nan 8.310 nan 0.000 0.477 573 C N 0.630 120.009 119.300 0.130 0.000 2.395 573 C HA -0.044 4.416 4.460 -0.000 0.000 0.287 573 C C 2.228 177.281 174.990 0.106 0.000 1.281 573 C CA 0.565 59.642 59.018 0.099 0.000 1.818 573 C CB -1.929 25.864 27.740 0.087 0.000 1.990 573 C HN 0.463 nan 8.230 nan 0.000 0.516 574 V N 1.542 121.551 119.914 0.158 0.000 2.341 574 V HA 0.034 4.154 4.120 -0.000 0.000 0.240 574 V C 0.441 176.584 176.094 0.081 0.000 1.035 574 V CA 1.961 64.347 62.300 0.143 0.000 1.033 574 V CB -1.476 30.490 31.823 0.238 0.000 0.678 574 V HN 0.252 nan 8.190 nan 0.000 0.464 575 P HA -0.175 nan 4.420 nan 0.000 0.214 575 P C 1.947 179.259 177.300 0.021 0.000 1.169 575 P CA 1.813 64.925 63.100 0.021 0.000 0.908 575 P CB -0.161 31.544 31.700 0.010 0.000 0.791 576 V N 0.138 120.069 119.914 0.029 0.000 2.252 576 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 576 V C 2.485 178.587 176.094 0.013 0.000 1.056 576 V CA 2.478 64.788 62.300 0.017 0.000 1.022 576 V CB -1.898 29.937 31.823 0.021 0.000 0.641 576 V HN 0.135 nan 8.190 nan 0.000 0.445 577 A N -0.395 122.440 122.820 0.026 0.000 1.927 577 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 577 A C 2.220 179.810 177.584 0.010 0.000 1.185 577 A CA 2.323 54.373 52.037 0.021 0.000 0.639 577 A CB -0.629 18.393 19.000 0.038 0.000 0.820 577 A HN 0.539 nan 8.150 nan 0.000 0.451 578 L N -1.333 119.900 121.223 0.016 0.000 2.240 578 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 578 L C 2.857 179.717 176.870 -0.018 0.000 1.106 578 L CA 0.696 55.540 54.840 0.006 0.000 0.793 578 L CB -0.390 41.681 42.059 0.020 0.000 0.927 578 L HN 0.439 nan 8.230 nan 0.000 0.446 579 A N -0.726 122.083 122.820 -0.018 0.000 2.168 579 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 579 A C 1.176 178.738 177.584 -0.037 0.000 1.152 579 A CA 0.290 52.308 52.037 -0.031 0.000 0.716 579 A CB -0.412 18.572 19.000 -0.027 0.000 0.794 579 A HN 0.351 nan 8.150 nan 0.000 0.465 580 E N 0.132 120.312 120.200 -0.033 0.000 2.299 580 E HA 0.330 4.680 4.350 -0.000 0.000 0.272 580 E C 0.771 177.340 176.600 -0.051 0.000 1.043 580 E CA 0.592 56.970 56.400 -0.037 0.000 0.895 580 E CB -0.046 29.636 29.700 -0.031 0.000 1.011 580 E HN 0.672 nan 8.360 nan 0.000 0.432 581 G N 4.189 112.960 108.800 -0.049 0.000 2.131 581 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.201 581 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.201 581 G C -0.179 174.685 174.900 -0.059 0.000 1.000 581 G CA 0.031 45.098 45.100 -0.056 0.000 0.680 581 G HN 0.460 nan 8.290 nan 0.000 0.514 582 L N 0.000 121.190 121.223 -0.056 0.000 2.370 582 L HA 0.495 4.835 4.340 -0.000 0.000 0.266 582 L C -0.719 176.115 176.870 -0.059 0.000 1.002 582 L CA -1.054 53.749 54.840 -0.062 0.000 0.818 582 L CB 1.911 43.930 42.059 -0.067 0.000 1.325 582 L HN 0.031 nan 8.230 nan 0.000 0.418 583 D N 3.088 123.450 120.400 -0.063 0.000 2.435 583 D HA 0.337 4.977 4.640 -0.000 0.000 0.230 583 D C -0.617 175.634 176.300 -0.082 0.000 1.215 583 D CA 0.168 54.132 54.000 -0.060 0.000 0.947 583 D CB 0.025 40.794 40.800 -0.051 0.000 1.048 583 D HN 0.205 nan 8.370 nan 0.000 0.512 584 I N 3.955 124.477 120.570 -0.081 0.000 2.362 584 I HA 0.179 4.349 4.170 -0.000 0.000 0.289 584 I C 0.180 176.228 176.117 -0.114 0.000 0.994 584 I CA -0.882 60.356 61.300 -0.103 0.000 1.158 584 I CB 1.350 39.297 38.000 -0.088 0.000 1.315 584 I HN -0.193 nan 8.210 nan 0.000 0.451 585 K N 7.915 128.220 120.400 -0.159 0.000 2.250 585 K HA 0.471 4.791 4.320 -0.000 0.000 0.280 585 K C -0.431 176.053 176.600 -0.193 0.000 1.098 585 K CA -0.309 55.871 56.287 -0.179 0.000 0.916 585 K CB 0.675 33.028 32.500 -0.244 0.000 1.209 585 K HN 0.536 nan 8.250 nan 0.000 0.461 586 L N 1.762 122.894 121.223 -0.151 0.000 2.456 586 L HA 0.187 4.527 4.340 -0.000 0.000 0.257 586 L C 0.849 177.620 176.870 -0.165 0.000 1.162 586 L CA -0.501 54.250 54.840 -0.149 0.000 0.808 586 L CB 0.169 42.167 42.059 -0.101 0.000 1.136 586 L HN 0.687 nan 8.230 nan 0.000 0.466 587 N N 0.029 118.625 118.700 -0.174 0.000 2.754 587 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 587 N C -0.702 174.700 175.510 -0.181 0.000 1.093 587 N CA 0.925 53.884 53.050 -0.152 0.000 0.699 587 N CB -1.251 37.191 38.487 -0.075 0.000 1.016 587 N HN 0.727 nan 8.380 nan 0.000 0.552 588 T N -0.191 114.209 114.554 -0.258 0.000 3.009 588 T HA 0.544 4.894 4.350 -0.000 0.000 0.346 588 T C 0.121 174.659 174.700 -0.269 0.000 1.092 588 T CA -0.453 61.485 62.100 -0.269 0.000 1.080 588 T CB 1.634 70.293 68.868 -0.347 0.000 1.037 588 T HN 0.337 nan 8.240 nan 0.000 0.487 589 A N 3.530 126.233 122.820 -0.194 0.000 2.294 589 A HA 0.614 4.934 4.320 -0.000 0.000 0.316 589 A C 0.542 178.078 177.584 -0.080 0.000 1.359 589 A CA -0.546 51.368 52.037 -0.206 0.000 0.956 589 A CB -0.042 18.898 19.000 -0.100 0.000 1.155 589 A HN 0.715 nan 8.150 nan 0.000 0.544 590 V N 4.243 124.094 119.914 -0.106 0.000 2.644 590 V HA -0.038 4.082 4.120 -0.000 0.000 0.305 590 V C 1.311 177.393 176.094 -0.021 0.000 1.053 590 V CA 0.718 62.983 62.300 -0.058 0.000 1.186 590 V CB 0.114 31.884 31.823 -0.089 0.000 0.895 590 V HN 0.995 nan 8.190 nan 0.000 0.490 591 R N 2.472 122.963 120.500 -0.014 0.000 2.310 591 R HA 0.252 4.592 4.340 -0.000 0.000 0.199 591 R C 0.458 176.717 176.300 -0.069 0.000 0.891 591 R CA 0.113 56.206 56.100 -0.013 0.000 1.060 591 R CB 0.783 31.097 30.300 0.023 0.000 1.188 591 R HN 0.785 nan 8.270 nan 0.000 0.607 592 Q N 0.549 120.301 119.800 -0.080 0.000 2.315 592 Q HA 0.401 4.741 4.340 -0.000 0.000 0.273 592 Q C -1.853 174.075 176.000 -0.121 0.000 1.053 592 Q CA -0.435 55.297 55.803 -0.117 0.000 0.817 592 Q CB 2.956 31.665 28.738 -0.049 0.000 1.326 592 Q HN -0.151 nan 8.270 nan 0.000 0.423 593 V N 4.028 123.827 119.914 -0.191 0.000 2.444 593 V HA 0.578 4.698 4.120 -0.000 0.000 0.294 593 V C -0.735 175.431 176.094 0.119 0.000 1.022 593 V CA -0.552 61.726 62.300 -0.038 0.000 0.850 593 V CB 1.810 33.587 31.823 -0.076 0.000 0.992 593 V HN 0.700 nan 8.190 nan 0.000 0.426 594 R N 4.717 125.291 120.500 0.123 0.000 2.409 594 R HA 0.591 4.931 4.340 -0.000 0.000 0.313 594 R C -1.696 174.662 176.300 0.097 0.000 0.953 594 R CA -0.603 55.516 56.100 0.032 0.000 0.849 594 R CB 2.035 32.334 30.300 -0.001 0.000 1.171 594 R HN 0.799 nan 8.270 nan 0.000 0.458 595 Y N -0.776 119.565 120.300 0.068 0.000 2.457 595 Y HA 0.733 5.283 4.550 -0.000 0.000 0.343 595 Y C -0.515 175.417 175.900 0.054 0.000 0.994 595 Y CA -1.029 57.109 58.100 0.063 0.000 1.031 595 Y CB 1.914 40.417 38.460 0.070 0.000 1.246 595 Y HN 0.558 nan 8.280 nan 0.000 0.449 596 T N -1.357 113.254 114.554 0.094 0.000 2.792 596 T HA 0.616 4.966 4.350 -0.000 0.000 0.303 596 T C 0.706 175.464 174.700 0.097 0.000 1.310 596 T CA -0.551 61.573 62.100 0.040 0.000 1.007 596 T CB 1.286 70.152 68.868 -0.003 0.000 1.335 596 T HN 1.187 nan 8.240 nan 0.000 0.504 597 A N 0.912 123.776 122.820 0.074 0.000 2.148 597 A HA -0.029 4.291 4.320 -0.000 0.000 0.222 597 A C 2.040 179.677 177.584 0.088 0.000 1.161 597 A CA 2.334 54.420 52.037 0.081 0.000 0.662 597 A CB -1.220 17.814 19.000 0.056 0.000 0.799 597 A HN 1.376 nan 8.150 nan 0.000 0.466 598 S N -3.249 112.498 115.700 0.078 0.000 2.578 598 S HA 0.539 5.009 4.470 -0.000 0.000 0.228 598 S C 0.759 175.408 174.600 0.082 0.000 1.022 598 S CA 0.485 58.730 58.200 0.075 0.000 0.967 598 S CB 0.415 63.645 63.200 0.050 0.000 0.914 598 S HN 1.729 nan 8.310 nan 0.000 0.515 599 G N -0.025 108.831 108.800 0.094 0.000 2.356 599 G HA2 0.341 4.301 3.960 -0.000 0.000 0.288 599 G HA3 0.341 4.301 3.960 -0.000 0.000 0.288 599 G C -1.662 173.298 174.900 0.100 0.000 1.302 599 G CA -0.329 44.825 45.100 0.091 0.000 0.887 599 G HN 0.556 nan 8.290 nan 0.000 0.521 600 C N 0.094 119.449 119.300 0.091 0.000 2.797 600 C HA 0.855 5.315 4.460 -0.000 0.000 0.306 600 C C -0.418 174.623 174.990 0.085 0.000 1.207 600 C CA -0.914 58.172 59.018 0.114 0.000 1.507 600 C CB 1.245 29.072 27.740 0.144 0.000 2.028 600 C HN 0.947 nan 8.230 nan 0.000 0.475 601 E N 0.698 120.948 120.200 0.083 0.000 2.238 601 E HA 0.719 5.069 4.350 -0.000 0.000 0.267 601 E C -1.657 174.999 176.600 0.094 0.000 0.887 601 E CA -0.640 55.810 56.400 0.083 0.000 0.769 601 E CB 1.790 31.523 29.700 0.055 0.000 1.187 601 E HN 0.338 nan 8.360 nan 0.000 0.416 602 V N 3.668 123.659 119.914 0.129 0.000 2.384 602 V HA 0.322 4.442 4.120 -0.000 0.000 0.287 602 V C -0.148 176.049 176.094 0.173 0.000 1.020 602 V CA -0.692 61.677 62.300 0.116 0.000 0.850 602 V CB 0.982 32.855 31.823 0.083 0.000 0.987 602 V HN 0.618 nan 8.190 nan 0.000 0.436 603 I N 4.636 125.269 120.570 0.104 0.000 2.307 603 I HA 0.708 4.878 4.170 -0.000 0.000 0.289 603 I C 0.506 176.695 176.117 0.121 0.000 1.021 603 I CA -0.093 61.282 61.300 0.123 0.000 1.224 603 I CB 1.204 39.243 38.000 0.065 0.000 1.376 603 I HN 0.665 nan 8.210 nan 0.000 0.470 604 A N 6.280 129.226 122.820 0.209 0.000 2.313 604 A HA 0.938 5.258 4.320 -0.000 0.000 0.323 604 A C -0.308 177.421 177.584 0.242 0.000 1.133 604 A CA -0.545 51.586 52.037 0.156 0.000 0.847 604 A CB 1.837 20.889 19.000 0.087 0.000 1.308 604 A HN 0.626 nan 8.150 nan 0.000 0.475 605 V N -1.270 118.753 119.914 0.181 0.000 3.158 605 V HA 0.701 4.821 4.120 -0.000 0.000 0.311 605 V C -0.531 175.680 176.094 0.195 0.000 1.181 605 V CA -1.021 61.433 62.300 0.256 0.000 1.054 605 V CB 1.767 33.687 31.823 0.161 0.000 1.085 605 V HN 0.911 nan 8.190 nan 0.000 0.446 606 N N 0.867 119.721 118.700 0.257 0.000 2.414 606 N HA 0.341 5.081 4.740 -0.000 0.000 0.256 606 N C 1.178 176.753 175.510 0.107 0.000 1.029 606 N CA 0.420 53.572 53.050 0.169 0.000 0.948 606 N CB 1.552 40.194 38.487 0.258 0.000 1.102 606 N HN 0.974 nan 8.380 nan 0.000 0.496 607 T N 1.290 115.881 114.554 0.063 0.000 2.881 607 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 607 T C 1.577 176.336 174.700 0.099 0.000 1.068 607 T CA 1.033 63.193 62.100 0.099 0.000 1.131 607 T CB -0.087 68.841 68.868 0.100 0.000 0.871 607 T HN 0.450 nan 8.240 nan 0.000 0.479 608 R N 1.911 122.456 120.500 0.076 0.000 2.055 608 R HA 0.079 4.419 4.340 -0.000 0.000 0.228 608 R C 1.391 177.729 176.300 0.065 0.000 1.143 608 R CA 1.352 57.492 56.100 0.066 0.000 0.945 608 R CB -0.207 30.125 30.300 0.054 0.000 0.841 608 R HN 0.511 nan 8.270 nan 0.000 0.429 609 S N 0.269 116.012 115.700 0.071 0.000 2.601 609 S HA 0.101 4.571 4.470 -0.000 0.000 0.312 609 S C 0.396 175.040 174.600 0.073 0.000 1.107 609 S CA -0.738 57.499 58.200 0.062 0.000 1.129 609 S CB 1.567 64.796 63.200 0.047 0.000 0.982 609 S HN 0.285 nan 8.310 nan 0.000 0.469 610 T N 0.461 115.056 114.554 0.068 0.000 3.380 610 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 610 T C 1.036 175.775 174.700 0.064 0.000 1.082 610 T CA 0.389 62.536 62.100 0.079 0.000 0.968 610 T CB -0.792 68.124 68.868 0.080 0.000 1.027 610 T HN 0.787 nan 8.240 nan 0.000 0.575 611 S N -1.295 114.434 115.700 0.048 0.000 2.649 611 S HA 0.237 4.707 4.470 -0.000 0.000 0.246 611 S C 0.839 175.441 174.600 0.003 0.000 1.057 611 S CA -0.500 57.714 58.200 0.024 0.000 1.051 611 S CB -0.201 63.006 63.200 0.012 0.000 1.018 611 S HN 0.392 nan 8.310 nan 0.000 0.569 612 Q N 3.261 123.070 119.800 0.013 0.000 2.489 612 Q HA 0.199 4.539 4.340 -0.000 0.000 0.231 612 Q C -0.709 175.249 176.000 -0.070 0.000 1.273 612 Q CA 0.431 56.209 55.803 -0.041 0.000 0.898 612 Q CB -0.269 28.480 28.738 0.019 0.000 1.545 612 Q HN 0.386 nan 8.270 nan 0.000 0.538 613 T N 2.999 117.462 114.554 -0.153 0.000 2.904 613 T HA 0.447 4.797 4.350 -0.000 0.000 0.290 613 T C -0.373 174.116 174.700 -0.352 0.000 1.018 613 T CA 0.099 62.141 62.100 -0.097 0.000 1.075 613 T CB 0.347 69.180 68.868 -0.058 0.000 0.986 613 T HN 0.244 nan 8.240 nan 0.000 0.523 614 F N 0.974 120.921 119.950 -0.006 0.000 2.588 614 F HA 0.620 5.147 4.527 -0.000 0.000 0.314 614 F C -0.248 175.497 175.800 -0.091 0.000 1.069 614 F CA -1.193 56.767 58.000 -0.066 0.000 0.931 614 F CB 1.535 40.564 39.000 0.048 0.000 1.260 614 F HN 0.195 nan 8.300 nan 0.000 0.465 615 I N 2.434 122.942 120.570 -0.103 0.000 2.533 615 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 615 I C -1.492 174.415 176.117 -0.350 0.000 1.056 615 I CA -0.867 60.374 61.300 -0.099 0.000 1.057 615 I CB 2.031 39.987 38.000 -0.074 0.000 1.240 615 I HN 0.534 nan 8.210 nan 0.000 0.423 616 Y N 4.612 124.940 120.300 0.045 0.000 2.350 616 Y HA 0.418 4.968 4.550 0.000 0.000 0.338 616 Y C 0.141 176.048 175.900 0.011 0.000 0.961 616 Y CA -0.832 57.282 58.100 0.023 0.000 1.100 616 Y CB 1.922 40.386 38.460 0.006 0.000 1.179 616 Y HN 0.248 nan 8.280 nan 0.000 0.454 617 K N 3.712 124.185 120.400 0.122 0.000 2.274 617 K HA 0.725 5.045 4.320 -0.000 0.000 0.262 617 K C -0.910 175.726 176.600 0.060 0.000 0.961 617 K CA -0.356 55.972 56.287 0.069 0.000 0.833 617 K CB 1.480 33.997 32.500 0.028 0.000 1.102 617 K HN 0.870 nan 8.250 nan 0.000 0.436 618 C N -0.849 118.474 119.300 0.039 0.000 3.239 618 C HA 0.400 4.860 4.460 -0.000 0.000 0.317 618 C C 1.122 176.091 174.990 -0.035 0.000 1.310 618 C CA -0.893 58.121 59.018 -0.007 0.000 1.371 618 C CB 1.156 28.886 27.740 -0.017 0.000 1.714 618 C HN 0.815 nan 8.230 nan 0.000 0.473 619 D N 1.096 121.423 120.400 -0.121 0.000 2.178 619 D HA 0.143 4.783 4.640 -0.000 0.000 0.201 619 D C 0.805 176.979 176.300 -0.211 0.000 0.980 619 D CA 2.311 56.182 54.000 -0.215 0.000 0.842 619 D CB 0.166 40.674 40.800 -0.487 0.000 0.948 619 D HN 1.043 nan 8.370 nan 0.000 0.472 620 A N 0.027 122.736 122.820 -0.186 0.000 2.566 620 A HA 0.486 4.806 4.320 -0.000 0.000 0.297 620 A C -1.106 176.484 177.584 0.011 0.000 1.059 620 A CA -0.681 51.345 52.037 -0.018 0.000 0.691 620 A CB 1.754 20.698 19.000 -0.094 0.000 1.282 620 A HN -0.100 nan 8.150 nan 0.000 0.401 621 V N 1.921 121.890 119.914 0.092 0.000 2.398 621 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 621 V C -0.496 175.618 176.094 0.033 0.000 1.026 621 V CA -0.563 61.756 62.300 0.031 0.000 0.868 621 V CB 1.247 33.083 31.823 0.022 0.000 0.982 621 V HN 0.808 nan 8.190 nan 0.000 0.443 622 L N 5.914 127.126 121.223 -0.019 0.000 2.255 622 L HA 0.542 4.882 4.340 -0.000 0.000 0.289 622 L C -0.152 176.692 176.870 -0.043 0.000 1.046 622 L CA 0.026 54.849 54.840 -0.030 0.000 0.816 622 L CB 0.765 42.799 42.059 -0.042 0.000 1.197 622 L HN 0.901 nan 8.230 nan 0.000 0.427 623 C N 4.232 123.480 119.300 -0.086 0.000 2.285 623 C HA 0.605 5.065 4.460 -0.000 0.000 0.335 623 C C 1.367 176.463 174.990 0.176 0.000 1.267 623 C CA 0.205 59.252 59.018 0.049 0.000 1.762 623 C CB -0.310 27.476 27.740 0.076 0.000 2.365 623 C HN 0.974 nan 8.230 nan 0.000 0.527 624 T N 4.825 119.468 114.554 0.147 0.000 3.228 624 T HA 0.269 4.619 4.350 -0.000 0.000 0.278 624 T C 0.271 175.080 174.700 0.182 0.000 1.014 624 T CA -0.316 61.890 62.100 0.176 0.000 0.904 624 T CB -0.462 68.464 68.868 0.097 0.000 1.110 624 T HN 0.685 nan 8.240 nan 0.000 0.541 625 L N 2.126 123.455 121.223 0.176 0.000 2.593 625 L HA 0.210 4.550 4.340 -0.000 0.000 0.287 625 L C -2.061 174.804 176.870 -0.010 0.000 1.243 625 L CA -1.450 53.450 54.840 0.100 0.000 0.890 625 L CB -0.056 42.078 42.059 0.124 0.000 1.134 625 L HN 0.110 nan 8.230 nan 0.000 0.502 626 P HA -0.057 nan 4.420 nan 0.000 0.269 626 P C 0.389 177.291 177.300 -0.663 0.000 1.215 626 P CA -0.318 62.599 63.100 -0.306 0.000 0.780 626 P CB 0.671 32.285 31.700 -0.144 0.000 0.898 627 L N 3.170 123.735 121.223 -1.098 0.000 2.201 627 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 627 L C 2.022 178.301 176.870 -0.985 0.000 1.105 627 L CA 2.199 56.409 54.840 -1.050 0.000 0.775 627 L CB -1.361 40.181 42.059 -0.861 0.000 0.913 627 L HN 0.472 nan 8.230 nan 0.000 0.440 628 G N -0.754 107.069 108.800 -1.630 0.000 2.418 628 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 628 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 628 G C 1.442 176.136 174.900 -0.343 0.000 1.158 628 G CA 1.076 45.664 45.100 -0.854 0.000 0.771 628 G HN 0.320 nan 8.290 nan 0.000 0.545 629 V N 1.097 120.829 119.914 -0.304 0.000 2.237 629 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 629 V C 2.846 178.874 176.094 -0.109 0.000 1.046 629 V CA 1.468 63.699 62.300 -0.115 0.000 1.007 629 V CB -0.598 31.212 31.823 -0.023 0.000 0.638 629 V HN 0.336 nan 8.190 nan 0.000 0.445 630 L N -0.483 120.640 121.223 -0.167 0.000 2.351 630 L HA -0.217 4.123 4.340 -0.000 0.000 0.220 630 L C 2.357 179.163 176.870 -0.106 0.000 1.127 630 L CA 1.474 56.255 54.840 -0.098 0.000 0.786 630 L CB -0.529 41.427 42.059 -0.171 0.000 0.914 630 L HN 0.354 nan 8.230 nan 0.000 0.443 631 K N -0.783 119.529 120.400 -0.148 0.000 2.356 631 K HA 0.046 4.366 4.320 -0.000 0.000 0.195 631 K C 0.500 177.065 176.600 -0.059 0.000 1.037 631 K CA -0.133 56.087 56.287 -0.111 0.000 1.014 631 K CB 0.234 32.658 32.500 -0.126 0.000 0.815 631 K HN 0.311 nan 8.250 nan 0.000 0.507 632 Q N 1.490 121.262 119.800 -0.046 0.000 2.308 632 Q HA -0.107 4.233 4.340 -0.000 0.000 0.313 632 Q C -0.561 175.430 176.000 -0.015 0.000 1.075 632 Q CA 0.859 56.647 55.803 -0.025 0.000 0.995 632 Q CB 0.433 29.160 28.738 -0.018 0.000 1.107 632 Q HN -0.049 nan 8.270 nan 0.000 0.380 633 Q N 3.595 123.387 119.800 -0.013 0.000 2.320 633 Q HA 0.381 4.721 4.340 -0.000 0.000 0.268 633 Q C -2.298 173.697 176.000 -0.008 0.000 1.023 633 Q CA -1.513 54.285 55.803 -0.009 0.000 0.744 633 Q CB 1.320 30.052 28.738 -0.010 0.000 1.246 633 Q HN 0.391 nan 8.270 nan 0.000 0.462 634 P HA 0.532 nan 4.420 nan 0.000 0.282 634 P C -2.664 174.637 177.300 0.001 0.000 1.259 634 P CA -1.784 61.315 63.100 -0.002 0.000 0.826 634 P CB 0.291 31.990 31.700 -0.001 0.000 1.064 635 P HA -0.013 nan 4.420 nan 0.000 0.263 635 P C 0.346 177.655 177.300 0.015 0.000 1.175 635 P CA 0.368 63.479 63.100 0.019 0.000 0.761 635 P CB 0.243 31.961 31.700 0.031 0.000 0.794 636 A N 3.240 126.072 122.820 0.020 0.000 2.081 636 A HA 0.142 4.462 4.320 -0.000 0.000 0.214 636 A C 0.620 178.219 177.584 0.024 0.000 1.158 636 A CA 0.918 52.975 52.037 0.032 0.000 0.724 636 A CB 0.121 19.153 19.000 0.053 0.000 0.826 636 A HN 0.412 nan 8.150 nan 0.000 0.463 637 V N 0.626 120.536 119.914 -0.006 0.000 2.540 637 V HA 0.313 4.433 4.120 -0.000 0.000 0.302 637 V C -0.538 175.460 176.094 -0.161 0.000 1.035 637 V CA -0.705 61.528 62.300 -0.113 0.000 0.873 637 V CB 1.729 33.436 31.823 -0.193 0.000 0.992 637 V HN 0.477 nan 8.190 nan 0.000 0.428 638 Q N 2.712 122.390 119.800 -0.205 0.000 2.271 638 Q HA 0.536 4.876 4.340 -0.000 0.000 0.258 638 Q C -1.664 174.183 176.000 -0.255 0.000 0.936 638 Q CA -0.435 55.294 55.803 -0.123 0.000 0.909 638 Q CB 1.641 30.349 28.738 -0.050 0.000 1.253 638 Q HN 0.635 nan 8.270 nan 0.000 0.440 639 F N 1.941 121.936 119.950 0.075 0.000 2.420 639 F HA 0.360 4.887 4.527 -0.000 0.000 0.342 639 F C -0.028 175.816 175.800 0.073 0.000 1.113 639 F CA -0.696 57.385 58.000 0.136 0.000 1.059 639 F CB 1.406 40.526 39.000 0.199 0.000 1.128 639 F HN 0.135 nan 8.300 nan 0.000 0.475 640 V N 5.474 125.484 119.914 0.160 0.000 2.349 640 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 640 V C -2.173 173.686 176.094 -0.391 0.000 1.014 640 V CA -1.851 60.420 62.300 -0.048 0.000 0.826 640 V CB 1.346 33.134 31.823 -0.059 0.000 1.009 640 V HN 0.499 nan 8.190 nan 0.000 0.431 641 P HA 0.373 nan 4.420 nan 0.000 0.276 641 P C -2.809 174.544 177.300 0.088 0.000 1.261 641 P CA -2.059 60.973 63.100 -0.113 0.000 0.800 641 P CB -0.003 31.634 31.700 -0.104 0.000 1.066 642 P HA 0.094 nan 4.420 nan 0.000 0.268 642 P C -0.033 177.309 177.300 0.071 0.000 1.208 642 P CA 0.187 63.354 63.100 0.112 0.000 0.777 642 P CB 0.183 31.909 31.700 0.043 0.000 0.875 643 L N 3.606 124.813 121.223 -0.026 0.000 2.483 643 L HA 0.149 4.489 4.340 -0.000 0.000 0.276 643 L C -1.490 175.215 176.870 -0.275 0.000 1.213 643 L CA -1.566 53.136 54.840 -0.229 0.000 0.843 643 L CB -0.588 41.208 42.059 -0.439 0.000 1.107 643 L HN 0.307 nan 8.230 nan 0.000 0.487 644 P HA -0.031 nan 4.420 nan 0.000 0.269 644 P C 0.156 177.164 177.300 -0.487 0.000 1.215 644 P CA -0.269 62.574 63.100 -0.429 0.000 0.780 644 P CB 0.679 32.011 31.700 -0.613 0.000 0.898 645 E N 3.673 123.735 120.200 -0.231 0.000 2.130 645 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 645 E C 1.753 178.285 176.600 -0.113 0.000 0.998 645 E CA 1.499 57.814 56.400 -0.141 0.000 0.806 645 E CB -0.730 28.950 29.700 -0.034 0.000 0.738 645 E HN 0.637 nan 8.360 nan 0.000 0.459 646 W N 1.247 122.512 121.300 -0.057 0.000 2.331 646 W HA -0.200 4.460 4.660 -0.000 0.000 0.291 646 W C 1.727 178.186 176.519 -0.101 0.000 1.214 646 W CA 1.280 58.583 57.345 -0.069 0.000 1.228 646 W CB -0.656 28.767 29.460 -0.061 0.000 1.135 646 W HN 0.131 nan 8.180 nan 0.000 0.537 647 K N 1.920 121.928 120.400 -0.654 0.000 2.098 647 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 647 K C 2.383 178.764 176.600 -0.365 0.000 1.051 647 K CA 2.673 58.582 56.287 -0.630 0.000 0.957 647 K CB -0.799 31.001 32.500 -1.166 0.000 0.738 647 K HN 0.090 nan 8.250 nan 0.000 0.447 648 T N -1.909 112.445 114.554 -0.333 0.000 2.951 648 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 648 T C 1.862 176.476 174.700 -0.144 0.000 1.073 648 T CA 1.332 63.298 62.100 -0.223 0.000 1.134 648 T CB -0.309 68.451 68.868 -0.180 0.000 0.884 648 T HN 0.083 nan 8.240 nan 0.000 0.479 649 S N 1.913 117.551 115.700 -0.104 0.000 2.406 649 S HA 0.208 4.678 4.470 -0.000 0.000 0.228 649 S C 2.615 177.178 174.600 -0.062 0.000 1.020 649 S CA 0.702 58.867 58.200 -0.057 0.000 0.965 649 S CB -0.674 62.518 63.200 -0.014 0.000 0.798 649 S HN 0.747 nan 8.310 nan 0.000 0.488 650 A N 1.459 124.239 122.820 -0.066 0.000 1.902 650 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 650 A C 2.331 179.832 177.584 -0.138 0.000 1.181 650 A CA 1.484 53.471 52.037 -0.084 0.000 0.623 650 A CB -0.939 18.021 19.000 -0.067 0.000 0.818 650 A HN 0.338 nan 8.150 nan 0.000 0.443 651 V N -0.385 119.430 119.914 -0.165 0.000 2.343 651 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 651 V C 2.673 178.679 176.094 -0.146 0.000 1.051 651 V CA 2.366 64.557 62.300 -0.182 0.000 1.036 651 V CB -0.874 30.829 31.823 -0.201 0.000 0.654 651 V HN 0.639 nan 8.190 nan 0.000 0.451 652 Q N -0.578 119.154 119.800 -0.113 0.000 2.016 652 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 652 Q C 2.551 178.505 176.000 -0.075 0.000 0.978 652 Q CA 1.641 57.394 55.803 -0.083 0.000 0.833 652 Q CB -0.184 28.517 28.738 -0.061 0.000 0.895 652 Q HN 0.513 nan 8.270 nan 0.000 0.427 653 R N -0.114 120.342 120.500 -0.072 0.000 2.094 653 R HA -0.098 4.242 4.340 -0.000 0.000 0.239 653 R C 0.805 177.052 176.300 -0.089 0.000 1.137 653 R CA 0.784 56.848 56.100 -0.060 0.000 0.943 653 R CB -0.374 29.896 30.300 -0.049 0.000 0.850 653 R HN 0.308 nan 8.270 nan 0.000 0.433 654 M N 0.192 119.706 119.600 -0.144 0.000 2.243 654 M HA 0.004 4.484 4.480 -0.000 0.000 0.309 654 M C 0.753 176.888 176.300 -0.275 0.000 1.050 654 M CA 0.449 55.618 55.300 -0.218 0.000 1.139 654 M CB 0.298 32.721 32.600 -0.296 0.000 1.457 654 M HN 0.143 nan 8.290 nan 0.000 0.440 655 G N 1.250 109.745 108.800 -0.508 0.000 2.379 655 G HA2 0.617 4.577 3.960 -0.000 0.000 0.327 655 G HA3 0.617 4.577 3.960 -0.000 0.000 0.327 655 G C -1.883 172.593 174.900 -0.707 0.000 1.145 655 G CA -0.344 44.153 45.100 -1.004 0.000 0.905 655 G HN 0.568 nan 8.290 nan 0.000 0.466 656 F N 2.849 122.523 119.950 -0.459 0.000 2.513 656 F HA 0.598 5.125 4.527 0.000 0.000 0.358 656 F C 0.652 176.478 175.800 0.043 0.000 1.118 656 F CA -0.900 56.998 58.000 -0.171 0.000 1.037 656 F CB 1.098 40.020 39.000 -0.131 0.000 1.276 656 F HN 0.657 nan 8.300 nan 0.000 0.446 657 G N 3.085 111.781 108.800 -0.174 0.000 2.494 657 G HA2 0.303 4.263 3.960 -0.000 0.000 0.270 657 G HA3 0.303 4.263 3.960 -0.000 0.000 0.270 657 G C -1.218 173.402 174.900 -0.467 0.000 1.423 657 G CA -0.410 44.608 45.100 -0.136 0.000 1.055 657 G HN 0.584 nan 8.290 nan 0.000 0.536 658 N N -2.273 116.214 118.700 -0.355 0.000 2.446 658 N HA 0.495 5.235 4.740 -0.000 0.000 0.272 658 N C -1.990 173.409 175.510 -0.185 0.000 1.127 658 N CA -0.631 52.273 53.050 -0.244 0.000 0.896 658 N CB 1.902 40.334 38.487 -0.092 0.000 1.658 658 N HN 0.669 nan 8.380 nan 0.000 0.483 659 L N 2.313 123.484 121.223 -0.087 0.000 2.611 659 L HA 0.635 4.975 4.340 -0.000 0.000 0.260 659 L C -1.858 175.114 176.870 0.170 0.000 0.924 659 L CA -0.414 54.444 54.840 0.031 0.000 0.901 659 L CB 1.771 43.834 42.059 0.006 0.000 1.369 659 L HN 0.596 nan 8.230 nan 0.000 0.415 660 N N 3.050 121.853 118.700 0.172 0.000 2.381 660 N HA 0.619 5.359 4.740 -0.000 0.000 0.294 660 N C -1.393 174.190 175.510 0.121 0.000 1.216 660 N CA -0.702 52.460 53.050 0.187 0.000 0.803 660 N CB 2.427 40.978 38.487 0.107 0.000 1.372 660 N HN 0.570 nan 8.380 nan 0.000 0.500 661 K N 0.442 120.892 120.400 0.083 0.000 2.371 661 K HA 0.575 4.895 4.320 -0.000 0.000 0.251 661 K C -1.174 175.384 176.600 -0.070 0.000 0.934 661 K CA -0.782 55.509 56.287 0.006 0.000 0.798 661 K CB 2.442 34.965 32.500 0.038 0.000 1.204 661 K HN 0.153 nan 8.250 nan 0.000 0.427 662 V N 2.550 122.390 119.914 -0.123 0.000 2.409 662 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 662 V C -0.343 175.642 176.094 -0.181 0.000 1.020 662 V CA -1.003 61.204 62.300 -0.154 0.000 0.848 662 V CB 1.579 33.314 31.823 -0.147 0.000 0.990 662 V HN 0.456 nan 8.190 nan 0.000 0.430 663 V N 6.668 126.445 119.914 -0.229 0.000 2.383 663 V HA 0.463 4.583 4.120 -0.000 0.000 0.275 663 V C -0.150 175.748 176.094 -0.326 0.000 1.036 663 V CA -0.379 61.758 62.300 -0.272 0.000 0.889 663 V CB 1.409 33.007 31.823 -0.376 0.000 0.985 663 V HN 0.651 nan 8.190 nan 0.000 0.459 664 L N 4.810 125.834 121.223 -0.331 0.000 2.319 664 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 664 L C -0.696 175.729 176.870 -0.741 0.000 1.005 664 L CA -0.185 54.343 54.840 -0.520 0.000 0.828 664 L CB 1.620 43.438 42.059 -0.402 0.000 1.227 664 L HN 0.595 nan 8.230 nan 0.000 0.415 665 C N 3.755 122.562 119.300 -0.822 0.000 2.264 665 C HA 0.651 5.111 4.460 -0.000 0.000 0.324 665 C C -0.123 174.538 174.990 -0.548 0.000 1.267 665 C CA -0.611 57.913 59.018 -0.822 0.000 1.618 665 C CB -0.267 26.718 27.740 -1.258 0.000 2.278 665 C HN 0.428 nan 8.230 nan 0.000 0.499 666 F N 2.122 122.147 119.950 0.125 0.000 2.556 666 F HA 0.363 4.890 4.527 0.000 0.000 0.327 666 F C 1.542 177.512 175.800 0.284 0.000 1.059 666 F CA -1.186 56.960 58.000 0.243 0.000 0.953 666 F CB 0.979 40.179 39.000 0.334 0.000 1.227 666 F HN 0.573 nan 8.300 nan 0.000 0.478 667 D N 0.276 120.942 120.400 0.444 0.000 2.317 667 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 667 D C 0.041 176.446 176.300 0.175 0.000 0.966 667 D CA 0.561 54.723 54.000 0.271 0.000 0.876 667 D CB 0.312 41.227 40.800 0.193 0.000 0.927 667 D HN 0.616 nan 8.370 nan 0.000 0.519 668 R N -0.562 120.033 120.500 0.157 0.000 2.561 668 R HA 0.407 4.747 4.340 -0.000 0.000 0.266 668 R C -1.312 174.801 176.300 -0.312 0.000 1.091 668 R CA -0.880 55.200 56.100 -0.033 0.000 0.927 668 R CB 1.039 31.315 30.300 -0.041 0.000 1.240 668 R HN -0.221 nan 8.270 nan 0.000 0.449 669 V N 3.770 123.345 119.914 -0.565 0.000 2.452 669 V HA 0.011 4.131 4.120 -0.000 0.000 0.286 669 V C 0.460 175.960 176.094 -0.990 0.000 0.995 669 V CA 0.289 61.816 62.300 -1.288 0.000 1.116 669 V CB -1.058 30.244 31.823 -0.869 0.000 0.954 669 V HN 0.746 nan 8.190 nan 0.000 0.473 670 F N 2.950 122.215 119.950 -1.142 0.000 2.668 670 F HA 0.548 5.075 4.527 0.000 0.000 0.301 670 F C 0.036 175.396 175.800 -0.734 0.000 1.106 670 F CA -1.716 55.876 58.000 -0.680 0.000 1.289 670 F CB -0.455 38.241 39.000 -0.506 0.000 1.006 670 F HN 0.452 nan 8.300 nan 0.000 0.535 671 W N -0.498 120.424 121.300 -0.630 0.000 2.762 671 W HA 0.571 5.231 4.660 -0.000 0.000 0.355 671 W C -0.616 175.804 176.519 -0.164 0.000 1.124 671 W CA -1.692 55.288 57.345 -0.609 0.000 1.141 671 W CB 0.070 29.242 29.460 -0.480 0.000 1.432 671 W HN -0.149 nan 8.180 nan 0.000 0.586 672 D N 1.688 122.243 120.400 0.259 0.000 2.348 672 D HA 0.167 4.807 4.640 -0.000 0.000 0.259 672 D C -1.418 175.026 176.300 0.240 0.000 1.296 672 D CA -2.196 51.919 54.000 0.191 0.000 0.931 672 D CB 1.084 42.005 40.800 0.200 0.000 1.067 672 D HN 0.021 nan 8.370 nan 0.000 0.503 673 P HA -0.119 nan 4.420 nan 0.000 0.222 673 P C 0.621 178.021 177.300 0.167 0.000 1.142 673 P CA 0.969 64.157 63.100 0.146 0.000 0.788 673 P CB 0.139 31.855 31.700 0.026 0.000 0.767 674 S N -2.802 112.982 115.700 0.139 0.000 2.597 674 S HA 0.202 4.672 4.470 -0.000 0.000 0.224 674 S C 0.417 175.095 174.600 0.131 0.000 0.955 674 S CA -0.351 57.918 58.200 0.116 0.000 0.933 674 S CB -0.382 62.867 63.200 0.082 0.000 0.788 674 S HN -0.154 nan 8.310 nan 0.000 0.488 675 V N 2.271 122.294 119.914 0.182 0.000 2.448 675 V HA 0.350 4.470 4.120 -0.000 0.000 0.295 675 V C 0.182 176.390 176.094 0.191 0.000 1.025 675 V CA -0.752 61.658 62.300 0.184 0.000 0.859 675 V CB 1.544 33.503 31.823 0.226 0.000 0.988 675 V HN 0.330 nan 8.190 nan 0.000 0.431 676 N N 3.612 122.381 118.700 0.116 0.000 2.368 676 N HA 0.244 4.984 4.740 -0.000 0.000 0.176 676 N C -0.130 175.359 175.510 -0.035 0.000 1.021 676 N CA 0.486 53.581 53.050 0.076 0.000 0.888 676 N CB 0.308 38.844 38.487 0.082 0.000 0.995 676 N HN 0.654 nan 8.380 nan 0.000 0.437 677 L N -1.744 119.415 121.223 -0.106 0.000 2.482 677 L HA 0.646 4.986 4.340 -0.000 0.000 0.263 677 L C -1.675 175.136 176.870 -0.099 0.000 0.957 677 L CA -1.361 53.272 54.840 -0.346 0.000 0.836 677 L CB 1.327 42.909 42.059 -0.794 0.000 1.324 677 L HN -0.150 nan 8.230 nan 0.000 0.406 678 F N -0.157 119.743 119.950 -0.083 0.000 2.561 678 F HA 0.936 5.463 4.527 0.000 0.000 0.313 678 F C 0.271 176.128 175.800 0.095 0.000 1.126 678 F CA -0.883 57.134 58.000 0.028 0.000 0.918 678 F CB 1.166 40.256 39.000 0.150 0.000 1.199 678 F HN 0.710 nan 8.300 nan 0.000 0.444 679 G N 1.720 110.676 108.800 0.260 0.000 2.616 679 G HA2 0.392 4.352 3.960 -0.000 0.000 0.268 679 G HA3 0.392 4.352 3.960 -0.000 0.000 0.268 679 G C -1.561 173.616 174.900 0.462 0.000 1.213 679 G CA -0.407 44.899 45.100 0.343 0.000 0.926 679 G HN 1.117 nan 8.290 nan 0.000 0.523 680 H N -0.871 118.453 119.070 0.423 0.000 2.771 680 H HA 0.415 4.971 4.556 -0.000 0.000 0.361 680 H C -1.519 174.042 175.328 0.388 0.000 1.108 680 H CA -0.580 55.673 56.048 0.342 0.000 1.201 680 H CB 1.943 31.932 29.762 0.377 0.000 1.681 680 H HN 0.258 nan 8.280 nan 0.000 0.534 681 V N 4.729 124.409 119.914 -0.391 0.000 2.432 681 V HA 0.317 4.437 4.120 -0.000 0.000 0.275 681 V C 1.409 177.249 176.094 -0.422 0.000 1.043 681 V CA 0.147 62.324 62.300 -0.205 0.000 0.925 681 V CB 1.029 32.763 31.823 -0.149 0.000 0.985 681 V HN 0.903 nan 8.190 nan 0.000 0.466 682 G N 3.489 112.281 108.800 -0.014 0.000 2.583 682 G HA2 0.272 4.232 3.960 -0.000 0.000 0.275 682 G HA3 0.272 4.232 3.960 -0.000 0.000 0.275 682 G C 0.939 175.878 174.900 0.064 0.000 1.342 682 G CA 0.286 45.460 45.100 0.123 0.000 1.030 682 G HN 0.709 nan 8.290 nan 0.000 0.520 683 S N -1.299 114.460 115.700 0.099 0.000 2.468 683 S HA 0.143 4.613 4.470 -0.000 0.000 0.226 683 S C 0.883 175.522 174.600 0.064 0.000 1.051 683 S CA 0.814 59.056 58.200 0.069 0.000 0.943 683 S CB 0.213 63.457 63.200 0.073 0.000 0.810 683 S HN 0.762 nan 8.310 nan 0.000 0.509 684 T N 0.593 115.192 114.554 0.075 0.000 2.924 684 T HA 0.397 4.747 4.350 -0.000 0.000 0.291 684 T C 0.832 175.574 174.700 0.070 0.000 1.045 684 T CA -0.617 61.522 62.100 0.065 0.000 1.015 684 T CB 1.488 70.389 68.868 0.056 0.000 1.103 684 T HN -0.105 nan 8.240 nan 0.000 0.496 685 T N 1.774 116.367 114.554 0.065 0.000 2.684 685 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 685 T C 2.371 177.096 174.700 0.042 0.000 1.036 685 T CA 1.773 63.911 62.100 0.064 0.000 1.148 685 T CB -0.705 68.197 68.868 0.057 0.000 0.863 685 T HN 0.775 nan 8.240 nan 0.000 0.436 686 A N 1.385 124.226 122.820 0.035 0.000 1.986 686 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 686 A C 2.187 179.788 177.584 0.028 0.000 1.171 686 A CA 2.044 54.095 52.037 0.023 0.000 0.640 686 A CB -0.503 18.511 19.000 0.024 0.000 0.811 686 A HN 0.605 nan 8.150 nan 0.000 0.451 687 S N -0.891 114.839 115.700 0.049 0.000 2.651 687 S HA 0.180 4.650 4.470 -0.000 0.000 0.246 687 S C 1.224 175.874 174.600 0.083 0.000 1.039 687 S CA 0.092 58.331 58.200 0.064 0.000 1.013 687 S CB -0.166 63.085 63.200 0.085 0.000 0.861 687 S HN 0.714 nan 8.310 nan 0.000 0.485 688 R N 0.689 121.219 120.500 0.050 0.000 2.127 688 R HA 0.004 4.344 4.340 -0.000 0.000 0.238 688 R C 2.003 178.285 176.300 -0.030 0.000 1.134 688 R CA 1.646 57.770 56.100 0.039 0.000 0.975 688 R CB -1.241 29.064 30.300 0.009 0.000 0.865 688 R HN 0.412 nan 8.270 nan 0.000 0.447 689 G N 1.307 110.062 108.800 -0.075 0.000 2.448 689 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 689 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 689 G C 0.380 175.352 174.900 0.120 0.000 1.135 689 G CA -0.116 44.912 45.100 -0.120 0.000 0.784 689 G HN 0.465 nan 8.290 nan 0.000 0.543 690 E N 0.718 121.002 120.200 0.140 0.000 2.161 690 E HA 0.259 4.609 4.350 -0.000 0.000 0.263 690 E C 0.310 177.021 176.600 0.185 0.000 1.185 690 E CA -0.392 56.094 56.400 0.143 0.000 0.938 690 E CB -0.340 29.427 29.700 0.113 0.000 1.023 690 E HN 0.242 nan 8.360 nan 0.000 0.433 691 L N 4.413 125.706 121.223 0.118 0.000 3.717 691 L HA -0.294 4.046 4.340 -0.000 0.000 0.414 691 L C 0.807 177.763 176.870 0.143 0.000 1.228 691 L CA 0.224 55.056 54.840 -0.014 0.000 0.918 691 L CB -2.013 40.026 42.059 -0.034 0.000 1.865 691 L HN 0.657 nan 8.230 nan 0.000 0.922 692 F N -0.767 119.237 119.950 0.090 0.000 2.748 692 F HA 0.474 5.001 4.527 -0.000 0.000 0.299 692 F C 0.448 176.419 175.800 0.285 0.000 1.154 692 F CA 0.061 58.218 58.000 0.263 0.000 1.446 692 F CB 0.179 39.201 39.000 0.036 0.000 1.112 692 F HN 0.072 nan 8.300 nan 0.000 0.584 693 L N 0.169 120.951 121.223 -0.736 0.000 2.505 693 L HA 0.609 4.949 4.340 -0.000 0.000 0.259 693 L C -2.130 174.347 176.870 -0.655 0.000 0.952 693 L CA -1.386 52.991 54.840 -0.772 0.000 0.840 693 L CB 1.779 42.915 42.059 -1.539 0.000 1.358 693 L HN -0.038 nan 8.230 nan 0.000 0.409 694 F N 2.476 121.977 119.950 -0.749 0.000 2.547 694 F HA 0.600 5.127 4.527 0.000 0.000 0.316 694 F C -1.216 174.120 175.800 -0.773 0.000 1.121 694 F CA -0.219 57.323 58.000 -0.763 0.000 0.911 694 F CB 1.860 40.111 39.000 -1.248 0.000 1.179 694 F HN 0.358 nan 8.300 nan 0.000 0.443 695 W N 2.334 123.416 121.300 -0.364 0.000 2.529 695 W HA 0.430 5.090 4.660 0.000 0.000 0.321 695 W C -0.359 175.996 176.519 -0.274 0.000 1.047 695 W CA -0.778 56.399 57.345 -0.279 0.000 1.216 695 W CB 1.370 30.702 29.460 -0.214 0.000 1.357 695 W HN 0.364 nan 8.180 nan 0.000 0.489 696 N N 3.743 122.432 118.700 -0.017 0.000 2.621 696 N HA 0.368 5.108 4.740 -0.000 0.000 0.237 696 N C -0.635 174.904 175.510 0.049 0.000 0.997 696 N CA -0.151 52.882 53.050 -0.030 0.000 0.918 696 N CB 0.570 39.026 38.487 -0.051 0.000 1.122 696 N HN 0.565 nan 8.380 nan 0.000 0.510 697 L N 1.587 122.767 121.223 -0.071 0.000 2.766 697 L HA 0.376 4.716 4.340 -0.000 0.000 0.241 697 L C -0.339 176.365 176.870 -0.276 0.000 1.080 697 L CA -0.122 54.553 54.840 -0.274 0.000 0.909 697 L CB 0.047 41.718 42.059 -0.646 0.000 1.277 697 L HN 0.369 nan 8.230 nan 0.000 0.510 698 Y N 0.223 120.613 120.300 0.150 0.000 2.519 698 Y HA 0.249 4.799 4.550 -0.000 0.000 0.324 698 Y C 1.380 177.373 175.900 0.155 0.000 1.214 698 Y CA -0.901 57.283 58.100 0.140 0.000 1.260 698 Y CB 0.726 39.271 38.460 0.142 0.000 1.311 698 Y HN -0.204 nan 8.280 nan 0.000 0.505 699 K N 1.173 121.761 120.400 0.312 0.000 2.026 699 K HA 0.010 4.330 4.320 -0.000 0.000 0.208 699 K C 0.847 177.576 176.600 0.215 0.000 1.048 699 K CA 1.149 57.560 56.287 0.207 0.000 0.929 699 K CB -0.313 32.276 32.500 0.148 0.000 0.713 699 K HN 0.670 nan 8.250 nan 0.000 0.439 700 A N 2.555 125.524 122.820 0.248 0.000 2.409 700 A HA 0.105 4.425 4.320 -0.000 0.000 0.246 700 A C -2.107 175.701 177.584 0.373 0.000 1.099 700 A CA -0.920 51.284 52.037 0.278 0.000 0.789 700 A CB -0.392 18.805 19.000 0.328 0.000 1.053 700 A HN 0.090 nan 8.150 nan 0.000 0.503 701 P HA 0.317 nan 4.420 nan 0.000 0.238 701 P C -1.057 176.593 177.300 0.583 0.000 1.794 701 P CA 0.487 63.907 63.100 0.533 0.000 1.088 701 P CB -0.396 31.523 31.700 0.365 0.000 1.923 702 I N 2.543 123.390 120.570 0.462 0.000 2.441 702 I HA 0.362 4.532 4.170 -0.000 0.000 0.295 702 I C 0.319 176.461 176.117 0.042 0.000 0.994 702 I CA -0.933 60.479 61.300 0.187 0.000 1.144 702 I CB 2.210 40.319 38.000 0.182 0.000 1.314 702 I HN -0.010 nan 8.210 nan 0.000 0.445 703 L N 6.512 127.633 121.223 -0.169 0.000 2.346 703 L HA 0.587 4.927 4.340 -0.000 0.000 0.276 703 L C -1.039 175.765 176.870 -0.109 0.000 1.006 703 L CA -0.791 53.893 54.840 -0.261 0.000 0.817 703 L CB 2.173 44.011 42.059 -0.368 0.000 1.272 703 L HN 0.475 nan 8.230 nan 0.000 0.421 704 L N 3.158 124.343 121.223 -0.063 0.000 2.349 704 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 704 L C -0.493 176.263 176.870 -0.190 0.000 0.996 704 L CA -0.309 54.489 54.840 -0.070 0.000 0.825 704 L CB 1.781 43.855 42.059 0.024 0.000 1.243 704 L HN 0.702 nan 8.230 nan 0.000 0.412 705 A N 5.067 127.669 122.820 -0.363 0.000 2.318 705 A HA 0.662 4.982 4.320 -0.000 0.000 0.317 705 A C -1.017 176.340 177.584 -0.379 0.000 1.159 705 A CA -0.587 51.031 52.037 -0.698 0.000 0.799 705 A CB 1.071 19.357 19.000 -1.189 0.000 1.194 705 A HN 0.487 nan 8.150 nan 0.000 0.479 706 L N 1.779 122.801 121.223 -0.335 0.000 2.452 706 L HA 0.395 4.735 4.340 -0.000 0.000 0.267 706 L C 0.066 176.929 176.870 -0.012 0.000 1.188 706 L CA 0.199 54.968 54.840 -0.119 0.000 0.821 706 L CB 1.298 43.270 42.059 -0.145 0.000 1.102 706 L HN 0.415 nan 8.230 nan 0.000 0.470 707 V N 2.665 122.633 119.914 0.090 0.000 2.398 707 V HA 0.763 4.883 4.120 -0.000 0.000 0.282 707 V C 0.135 176.308 176.094 0.132 0.000 1.014 707 V CA -0.568 61.798 62.300 0.110 0.000 0.838 707 V CB 0.968 32.819 31.823 0.046 0.000 1.018 707 V HN 0.943 nan 8.190 nan 0.000 0.432 708 A N 3.335 126.234 122.820 0.131 0.000 2.373 708 A HA 1.047 5.367 4.320 -0.000 0.000 0.291 708 A C 0.885 178.440 177.584 -0.047 0.000 1.171 708 A CA 0.069 52.139 52.037 0.056 0.000 0.922 708 A CB 0.844 19.871 19.000 0.046 0.000 1.400 708 A HN 2.020 nan 8.150 nan 0.000 0.474 709 G N -0.583 108.165 108.800 -0.087 0.000 2.566 709 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.280 709 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.280 709 G C 0.607 175.460 174.900 -0.079 0.000 1.225 709 G CA 0.583 45.615 45.100 -0.114 0.000 0.966 709 G HN 0.739 nan 8.290 nan 0.000 0.560 710 E N 0.377 120.534 120.200 -0.070 0.000 2.152 710 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 710 E C 2.978 179.563 176.600 -0.024 0.000 0.983 710 E CA 1.518 57.890 56.400 -0.046 0.000 0.818 710 E CB -0.562 29.114 29.700 -0.040 0.000 0.758 710 E HN 0.807 nan 8.360 nan 0.000 0.467 711 A N 1.771 124.580 122.820 -0.018 0.000 1.940 711 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 711 A C 2.454 180.042 177.584 0.008 0.000 1.176 711 A CA 1.901 53.941 52.037 0.004 0.000 0.631 711 A CB -0.562 18.450 19.000 0.019 0.000 0.814 711 A HN 0.269 nan 8.150 nan 0.000 0.446 712 A N -0.427 122.395 122.820 0.004 0.000 1.884 712 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 712 A C 2.446 180.036 177.584 0.011 0.000 1.197 712 A CA 2.272 54.318 52.037 0.015 0.000 0.637 712 A CB -1.504 17.501 19.000 0.008 0.000 0.827 712 A HN 0.855 nan 8.150 nan 0.000 0.450 713 G N -0.616 108.184 108.800 0.001 0.000 2.448 713 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.218 713 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.218 713 G C 1.402 176.304 174.900 0.002 0.000 1.135 713 G CA 0.981 46.083 45.100 0.003 0.000 0.784 713 G HN 0.525 nan 8.290 nan 0.000 0.543 714 I N 0.295 120.866 120.570 0.002 0.000 2.584 714 I HA 0.006 4.176 4.170 -0.000 0.000 0.255 714 I C 2.290 178.409 176.117 0.003 0.000 1.145 714 I CA 0.519 61.821 61.300 0.003 0.000 1.462 714 I CB -0.322 37.681 38.000 0.005 0.000 1.102 714 I HN 0.086 nan 8.210 nan 0.000 0.433 715 M N 0.600 120.203 119.600 0.005 0.000 2.630 715 M HA -0.059 4.421 4.480 -0.000 0.000 0.254 715 M C 1.754 178.049 176.300 -0.008 0.000 1.092 715 M CA 1.126 56.427 55.300 0.002 0.000 1.087 715 M CB -0.908 31.695 32.600 0.006 0.000 1.453 715 M HN 0.302 nan 8.290 nan 0.000 0.509 716 E N 0.432 120.627 120.200 -0.008 0.000 2.152 716 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 716 E C 0.752 177.339 176.600 -0.021 0.000 0.983 716 E CA 0.606 56.995 56.400 -0.018 0.000 0.818 716 E CB -0.022 29.670 29.700 -0.013 0.000 0.758 716 E HN 0.449 nan 8.360 nan 0.000 0.467 717 N N 0.268 118.960 118.700 -0.014 0.000 2.413 717 N HA 0.138 4.878 4.740 -0.000 0.000 0.207 717 N C -0.768 174.736 175.510 -0.011 0.000 1.206 717 N CA 0.331 53.373 53.050 -0.013 0.000 0.832 717 N CB 0.265 38.747 38.487 -0.009 0.000 1.037 717 N HN 0.048 nan 8.380 nan 0.000 0.467 718 I N -0.175 120.387 120.570 -0.013 0.000 2.545 718 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 718 I C 0.101 176.209 176.117 -0.016 0.000 1.040 718 I CA -0.987 60.306 61.300 -0.010 0.000 1.068 718 I CB 1.781 39.779 38.000 -0.004 0.000 1.251 718 I HN 0.008 nan 8.210 nan 0.000 0.424 719 S N 3.558 119.250 115.700 -0.013 0.000 2.563 719 S HA -0.017 4.453 4.470 -0.000 0.000 0.284 719 S C 0.758 175.345 174.600 -0.021 0.000 1.331 719 S CA -0.212 57.978 58.200 -0.017 0.000 1.047 719 S CB 0.698 63.891 63.200 -0.010 0.000 0.859 719 S HN 0.601 nan 8.310 nan 0.000 0.514 720 D N 1.751 122.133 120.400 -0.030 0.000 2.149 720 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 720 D C 1.411 177.696 176.300 -0.024 0.000 0.990 720 D CA 1.534 55.511 54.000 -0.038 0.000 0.839 720 D CB -0.333 40.437 40.800 -0.051 0.000 0.948 720 D HN 0.674 nan 8.370 nan 0.000 0.460 721 D N 0.442 120.834 120.400 -0.013 0.000 2.087 721 D HA -0.117 4.523 4.640 -0.000 0.000 0.192 721 D C 2.408 178.713 176.300 0.008 0.000 0.993 721 D CA 0.674 54.674 54.000 0.000 0.000 0.828 721 D CB -0.418 40.385 40.800 0.004 0.000 0.968 721 D HN 0.055 nan 8.370 nan 0.000 0.448 722 V N 1.625 121.543 119.914 0.007 0.000 2.317 722 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 722 V C 2.583 178.686 176.094 0.016 0.000 1.065 722 V CA 1.392 63.699 62.300 0.013 0.000 1.049 722 V CB -0.476 31.353 31.823 0.010 0.000 0.651 722 V HN 0.181 nan 8.190 nan 0.000 0.450 723 I N -0.418 120.155 120.570 0.005 0.000 2.142 723 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 723 I C 2.280 178.406 176.117 0.016 0.000 1.078 723 I CA 1.398 62.700 61.300 0.003 0.000 1.343 723 I CB -0.391 37.598 38.000 -0.018 0.000 1.046 723 I HN 0.141 nan 8.210 nan 0.000 0.405 724 V N 1.083 121.004 119.914 0.011 0.000 2.720 724 V HA -0.190 3.930 4.120 -0.000 0.000 0.256 724 V C 2.434 178.569 176.094 0.069 0.000 1.082 724 V CA 1.777 64.099 62.300 0.035 0.000 1.101 724 V CB -1.656 30.177 31.823 0.016 0.000 0.693 724 V HN 0.593 nan 8.190 nan 0.000 0.479 725 G N 0.921 109.752 108.800 0.052 0.000 2.552 725 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 725 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 725 G C 1.635 176.576 174.900 0.068 0.000 1.240 725 G CA 0.863 45.998 45.100 0.057 0.000 0.796 725 G HN 0.460 nan 8.290 nan 0.000 0.568 726 R N -0.624 119.911 120.500 0.059 0.000 2.139 726 R HA -0.110 4.230 4.340 -0.000 0.000 0.243 726 R C 2.595 178.949 176.300 0.090 0.000 1.145 726 R CA 1.121 57.258 56.100 0.062 0.000 0.976 726 R CB -0.987 29.342 30.300 0.050 0.000 0.866 726 R HN 0.378 nan 8.270 nan 0.000 0.449 727 C N 0.891 120.263 119.300 0.120 0.000 2.413 727 C HA -0.079 4.381 4.460 -0.000 0.000 0.276 727 C C 2.665 177.800 174.990 0.242 0.000 1.236 727 C CA 0.715 59.864 59.018 0.218 0.000 1.735 727 C CB -0.851 27.011 27.740 0.203 0.000 2.031 727 C HN 0.436 nan 8.230 nan 0.000 0.474 728 L N 0.701 122.040 121.223 0.192 0.000 2.005 728 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 728 L C 2.921 179.853 176.870 0.102 0.000 1.072 728 L CA 1.538 56.482 54.840 0.174 0.000 0.744 728 L CB -1.113 41.030 42.059 0.141 0.000 0.895 728 L HN 0.355 nan 8.230 nan 0.000 0.433 729 A N 0.931 123.797 122.820 0.077 0.000 1.893 729 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 729 A C 2.201 179.811 177.584 0.042 0.000 1.309 729 A CA 2.524 54.591 52.037 0.050 0.000 0.681 729 A CB -1.109 17.922 19.000 0.052 0.000 0.842 729 A HN 0.382 nan 8.150 nan 0.000 0.468 730 I N -0.573 120.025 120.570 0.047 0.000 2.127 730 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 730 I C 2.511 178.614 176.117 -0.024 0.000 1.075 730 I CA 1.603 62.908 61.300 0.008 0.000 1.334 730 I CB -0.408 37.543 38.000 -0.082 0.000 1.040 730 I HN 0.352 nan 8.210 nan 0.000 0.405 731 L N 0.328 121.567 121.223 0.028 0.000 2.079 731 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 731 L C 2.591 179.510 176.870 0.083 0.000 1.081 731 L CA 1.526 56.436 54.840 0.116 0.000 0.752 731 L CB -0.598 41.662 42.059 0.334 0.000 0.896 731 L HN 0.214 nan 8.230 nan 0.000 0.433 732 K N 0.030 120.433 120.400 0.004 0.000 1.991 732 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 732 K C 2.160 178.721 176.600 -0.065 0.000 1.049 732 K CA 1.449 57.706 56.287 -0.051 0.000 0.932 732 K CB -0.791 31.682 32.500 -0.045 0.000 0.717 732 K HN 0.389 nan 8.250 nan 0.000 0.441 733 G N 1.726 110.492 108.800 -0.057 0.000 2.624 733 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.221 733 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.221 733 G C 1.430 176.223 174.900 -0.178 0.000 1.169 733 G CA 1.571 46.627 45.100 -0.075 0.000 0.771 733 G HN 0.145 nan 8.290 nan 0.000 0.598 734 I N -1.029 119.340 120.570 -0.335 0.000 2.500 734 I HA 0.162 4.332 4.170 -0.000 0.000 0.252 734 I C 1.688 177.332 176.117 -0.787 0.000 1.142 734 I CA 0.757 61.598 61.300 -0.765 0.000 1.451 734 I CB -0.071 37.084 38.000 -1.409 0.000 1.093 734 I HN 0.143 nan 8.210 nan 0.000 0.430 735 F N -0.206 119.612 119.950 -0.221 0.000 2.746 735 F HA 0.544 5.071 4.527 -0.000 0.000 0.313 735 F C 1.001 176.706 175.800 -0.158 0.000 1.095 735 F CA 0.070 57.967 58.000 -0.171 0.000 1.224 735 F CB 0.276 39.216 39.000 -0.100 0.000 1.060 735 F HN -0.067 nan 8.300 nan 0.000 0.584 736 G N 0.302 109.094 108.800 -0.014 0.000 3.233 736 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 736 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 736 G C 0.470 175.316 174.900 -0.090 0.000 1.153 736 G CA -0.310 44.760 45.100 -0.049 0.000 0.853 736 G HN -0.013 nan 8.290 nan 0.000 0.582 737 S N 0.051 115.705 115.700 -0.077 0.000 2.547 737 S HA 0.039 4.509 4.470 -0.000 0.000 0.255 737 S C 1.866 176.403 174.600 -0.105 0.000 0.977 737 S CA 2.203 60.354 58.200 -0.082 0.000 0.960 737 S CB -0.299 62.869 63.200 -0.053 0.000 0.746 737 S HN 2.177 nan 8.310 nan 0.000 0.532 738 S N -2.074 113.549 115.700 -0.130 0.000 3.051 738 S HA 0.494 4.964 4.470 -0.000 0.000 0.250 738 S C 0.687 175.178 174.600 -0.182 0.000 0.906 738 S CA 0.074 58.191 58.200 -0.138 0.000 1.234 738 S CB 0.114 63.261 63.200 -0.088 0.000 1.175 738 S HN 0.346 nan 8.310 nan 0.000 0.635 739 A N 0.861 123.528 122.820 -0.255 0.000 2.238 739 A HA 0.602 4.922 4.320 -0.000 0.000 0.210 739 A C 0.593 177.735 177.584 -0.735 0.000 1.179 739 A CA 0.352 52.180 52.037 -0.349 0.000 0.827 739 A CB 0.111 18.960 19.000 -0.251 0.000 0.856 739 A HN 0.515 nan 8.150 nan 0.000 0.488 740 V N 3.590 123.044 119.914 -0.766 0.000 2.259 740 V HA 0.234 4.354 4.120 -0.000 0.000 0.267 740 V C -2.063 173.738 176.094 -0.488 0.000 1.051 740 V CA -1.556 60.121 62.300 -1.037 0.000 0.830 740 V CB 0.567 31.948 31.823 -0.737 0.000 1.080 740 V HN 0.342 nan 8.190 nan 0.000 0.467 741 P HA 0.186 nan 4.420 nan 0.000 0.286 741 P C -0.381 176.925 177.300 0.009 0.000 1.293 741 P CA -0.512 62.510 63.100 -0.130 0.000 0.770 741 P CB 0.682 32.355 31.700 -0.045 0.000 1.206 742 Q N 0.425 120.286 119.800 0.101 0.000 2.352 742 Q HA 0.237 4.577 4.340 -0.000 0.000 0.260 742 Q C -1.923 174.291 176.000 0.357 0.000 0.976 742 Q CA -1.414 54.502 55.803 0.188 0.000 0.881 742 Q CB -0.309 28.503 28.738 0.123 0.000 1.235 742 Q HN 0.341 nan 8.270 nan 0.000 0.419 743 P HA 0.141 nan 4.420 nan 0.000 0.282 743 P C 0.201 177.582 177.300 0.136 0.000 1.262 743 P CA -0.292 63.004 63.100 0.326 0.000 0.773 743 P CB 1.039 32.791 31.700 0.086 0.000 0.879 744 K N 1.434 121.908 120.400 0.124 0.000 2.025 744 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 744 K C 0.597 177.226 176.600 0.047 0.000 1.049 744 K CA 1.455 57.813 56.287 0.120 0.000 0.933 744 K CB 0.193 32.825 32.500 0.220 0.000 0.714 744 K HN 0.554 nan 8.250 nan 0.000 0.438 745 E N 0.635 120.784 120.200 -0.085 0.000 2.272 745 E HA 0.218 4.568 4.350 -0.000 0.000 0.269 745 E C -0.778 175.669 176.600 -0.255 0.000 0.877 745 E CA -0.325 56.012 56.400 -0.104 0.000 0.755 745 E CB 2.303 32.007 29.700 0.007 0.000 1.192 745 E HN 0.167 nan 8.360 nan 0.000 0.422 746 T N -1.496 112.923 114.554 -0.224 0.000 2.916 746 T HA 0.717 5.067 4.350 -0.000 0.000 0.298 746 T C -0.480 174.015 174.700 -0.343 0.000 1.031 746 T CA -0.673 61.252 62.100 -0.292 0.000 0.993 746 T CB 1.182 69.941 68.868 -0.181 0.000 1.045 746 T HN 0.084 nan 8.240 nan 0.000 0.454 747 V N 2.076 121.722 119.914 -0.447 0.000 2.823 747 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 747 V C -0.655 175.272 176.094 -0.278 0.000 1.072 747 V CA -0.939 61.114 62.300 -0.413 0.000 0.937 747 V CB 2.113 33.541 31.823 -0.658 0.000 1.013 747 V HN 0.922 nan 8.190 nan 0.000 0.430 748 V N 2.368 122.156 119.914 -0.210 0.000 2.482 748 V HA 0.426 4.546 4.120 -0.000 0.000 0.295 748 V C 0.255 176.241 176.094 -0.180 0.000 1.026 748 V CA -0.495 61.706 62.300 -0.166 0.000 0.856 748 V CB 2.071 33.821 31.823 -0.123 0.000 1.001 748 V HN 1.068 nan 8.190 nan 0.000 0.424 749 S N 5.396 120.984 115.700 -0.186 0.000 2.549 749 S HA 0.451 4.921 4.470 -0.000 0.000 0.283 749 S C 0.024 174.461 174.600 -0.270 0.000 1.320 749 S CA -0.402 57.614 58.200 -0.307 0.000 1.058 749 S CB 0.471 63.515 63.200 -0.260 0.000 0.882 749 S HN 0.712 nan 8.310 nan 0.000 0.498 750 R N 2.512 122.789 120.500 -0.371 0.000 2.564 750 R HA 0.220 4.560 4.340 -0.000 0.000 0.282 750 R C -0.417 175.769 176.300 -0.190 0.000 1.573 750 R CA -0.290 55.684 56.100 -0.209 0.000 1.588 750 R CB 0.249 30.462 30.300 -0.144 0.000 1.154 750 R HN 0.857 nan 8.270 nan 0.000 0.606 751 W N 0.355 121.650 121.300 -0.009 0.000 2.402 751 W HA -0.079 4.581 4.660 -0.000 0.000 0.286 751 W C 2.202 178.726 176.519 0.009 0.000 1.221 751 W CA 0.395 57.744 57.345 0.006 0.000 1.257 751 W CB 0.136 29.593 29.460 -0.004 0.000 1.120 751 W HN 0.301 nan 8.180 nan 0.000 0.551 752 R N 0.898 121.510 120.500 0.187 0.000 2.189 752 R HA -0.027 4.313 4.340 -0.000 0.000 0.223 752 R C 1.849 178.195 176.300 0.077 0.000 1.092 752 R CA 1.608 57.785 56.100 0.129 0.000 0.989 752 R CB -0.574 29.771 30.300 0.074 0.000 0.876 752 R HN 0.070 nan 8.270 nan 0.000 0.457 753 A N -0.460 122.376 122.820 0.027 0.000 2.063 753 A HA 0.084 4.404 4.320 -0.000 0.000 0.211 753 A C 0.250 177.791 177.584 -0.073 0.000 1.177 753 A CA 0.156 52.175 52.037 -0.030 0.000 0.759 753 A CB -0.198 18.770 19.000 -0.052 0.000 0.857 753 A HN 0.320 nan 8.150 nan 0.000 0.468 754 D N 1.459 121.825 120.400 -0.057 0.000 2.479 754 D HA 0.009 4.649 4.640 -0.000 0.000 0.257 754 D C -1.243 174.979 176.300 -0.130 0.000 1.230 754 D CA -1.403 52.542 54.000 -0.092 0.000 0.912 754 D CB 0.930 41.732 40.800 0.003 0.000 1.130 754 D HN 0.192 nan 8.370 nan 0.000 0.515 755 P HA -0.100 nan 4.420 nan 0.000 0.225 755 P C 0.496 177.509 177.300 -0.479 0.000 1.148 755 P CA 0.886 63.645 63.100 -0.569 0.000 0.779 755 P CB -0.124 30.986 31.700 -0.982 0.000 0.780 756 W N -0.821 120.528 121.300 0.082 0.000 3.223 756 W HA 0.565 5.225 4.660 -0.000 0.000 0.389 756 W C 1.450 178.051 176.519 0.136 0.000 1.118 756 W CA -0.201 57.196 57.345 0.085 0.000 1.902 756 W CB 0.269 29.776 29.460 0.079 0.000 1.094 756 W HN 0.000 nan 8.180 nan 0.000 0.666 757 A N -0.242 122.765 122.820 0.312 0.000 1.703 757 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 757 A C 1.469 179.254 177.584 0.335 0.000 1.773 757 A CA -0.203 52.052 52.037 0.363 0.000 1.186 757 A CB 0.271 19.603 19.000 0.554 0.000 1.117 757 A HN 0.004 nan 8.150 nan 0.000 0.501 758 R N -0.250 120.423 120.500 0.288 0.000 3.656 758 R HA -0.139 4.201 4.340 -0.000 0.000 0.297 758 R C 0.443 177.017 176.300 0.456 0.000 1.166 758 R CA 1.158 57.404 56.100 0.244 0.000 0.799 758 R CB -2.260 28.105 30.300 0.108 0.000 1.285 758 R HN 2.076 nan 8.270 nan 0.000 0.477 759 G N -2.519 106.556 108.800 0.458 0.000 2.369 759 G HA2 0.090 4.050 3.960 -0.000 0.000 0.295 759 G HA3 0.090 4.050 3.960 -0.000 0.000 0.295 759 G C 0.187 175.010 174.900 -0.129 0.000 1.298 759 G CA 0.298 45.481 45.100 0.137 0.000 0.940 759 G HN 0.329 nan 8.290 nan 0.000 0.536 760 S N -1.499 113.768 115.700 -0.722 0.000 2.891 760 S HA 0.655 5.125 4.470 -0.000 0.000 0.247 760 S C 0.480 174.761 174.600 -0.533 0.000 1.063 760 S CA 1.559 59.368 58.200 -0.653 0.000 0.857 760 S CB 0.208 63.019 63.200 -0.648 0.000 0.800 760 S HN 2.124 nan 8.310 nan 0.000 0.540 761 Y N 0.809 120.726 120.300 -0.638 0.000 2.750 761 Y HA 0.762 5.312 4.550 -0.000 0.000 0.335 761 Y C -0.588 175.176 175.900 -0.226 0.000 1.252 761 Y CA -1.212 56.704 58.100 -0.308 0.000 1.064 761 Y CB 0.429 38.820 38.460 -0.115 0.000 1.321 761 Y HN 0.227 nan 8.280 nan 0.000 0.451 762 S N 0.596 116.520 115.700 0.373 0.000 2.632 762 S HA 0.747 5.217 4.470 -0.000 0.000 0.271 762 S C -1.058 173.763 174.600 0.368 0.000 1.260 762 S CA -0.317 58.068 58.200 0.308 0.000 1.010 762 S CB 0.889 64.294 63.200 0.341 0.000 0.965 762 S HN 1.091 nan 8.310 nan 0.000 0.534 763 Y N -1.416 119.029 120.300 0.242 0.000 2.581 763 Y HA 0.711 5.261 4.550 0.000 0.000 0.345 763 Y C -1.110 174.954 175.900 0.273 0.000 1.036 763 Y CA -1.835 56.415 58.100 0.250 0.000 1.042 763 Y CB 0.541 39.096 38.460 0.157 0.000 1.289 763 Y HN 0.422 nan 8.280 nan 0.000 0.471 764 V N 3.232 123.460 119.914 0.523 0.000 2.381 764 V HA 0.505 4.625 4.120 -0.000 0.000 0.257 764 V C 0.774 177.150 176.094 0.470 0.000 1.057 764 V CA -0.053 62.493 62.300 0.409 0.000 1.013 764 V CB -0.829 31.218 31.823 0.373 0.000 1.069 764 V HN 0.967 nan 8.190 nan 0.000 0.484 765 A N 4.686 127.675 122.820 0.282 0.000 2.332 765 A HA 0.726 5.046 4.320 -0.000 0.000 0.258 765 A C 0.905 178.639 177.584 0.251 0.000 1.087 765 A CA 0.052 52.327 52.037 0.396 0.000 0.802 765 A CB 0.349 19.485 19.000 0.227 0.000 1.042 765 A HN 1.328 nan 8.150 nan 0.000 0.489 766 A N -0.025 122.921 122.820 0.210 0.000 2.548 766 A HA 0.464 4.784 4.320 -0.000 0.000 0.247 766 A C 1.531 179.174 177.584 0.098 0.000 1.067 766 A CA 0.938 53.054 52.037 0.130 0.000 0.757 766 A CB -1.001 18.045 19.000 0.076 0.000 0.996 766 A HN 2.716 nan 8.150 nan 0.000 0.504 767 G N 1.055 109.910 108.800 0.091 0.000 2.213 767 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.226 767 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.226 767 G C 0.716 175.646 174.900 0.049 0.000 0.992 767 G CA 0.726 45.861 45.100 0.058 0.000 0.632 767 G HN 1.602 nan 8.290 nan 0.000 0.511 768 S N -0.597 115.142 115.700 0.065 0.000 2.677 768 S HA 0.921 5.391 4.470 -0.000 0.000 0.290 768 S C 0.436 175.032 174.600 -0.007 0.000 1.124 768 S CA 1.248 59.464 58.200 0.026 0.000 1.017 768 S CB 1.663 64.877 63.200 0.024 0.000 1.215 768 S HN 2.114 nan 8.310 nan 0.000 0.524 769 S N -1.464 114.195 115.700 -0.067 0.000 2.669 769 S HA 0.467 4.937 4.470 -0.000 0.000 0.266 769 S C 0.643 175.196 174.600 -0.078 0.000 1.149 769 S CA -0.078 57.925 58.200 -0.329 0.000 0.842 769 S CB 0.450 63.312 63.200 -0.564 0.000 1.160 769 S HN 1.073 nan 8.310 nan 0.000 0.487 770 G N 0.710 109.424 108.800 -0.144 0.000 2.712 770 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.212 770 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.212 770 G C 1.065 176.014 174.900 0.081 0.000 1.142 770 G CA 0.590 45.695 45.100 0.009 0.000 0.789 770 G HN 0.788 nan 8.290 nan 0.000 0.535 771 N N 0.868 119.569 118.700 0.002 0.000 2.331 771 N HA -0.095 4.645 4.740 -0.000 0.000 0.180 771 N C 1.146 176.680 175.510 0.040 0.000 1.019 771 N CA 0.835 53.890 53.050 0.008 0.000 0.881 771 N CB -0.045 38.422 38.487 -0.033 0.000 0.972 771 N HN 0.053 nan 8.380 nan 0.000 0.435 772 D N 0.087 120.516 120.400 0.049 0.000 2.178 772 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 772 D C 1.330 177.616 176.300 -0.023 0.000 0.980 772 D CA 0.872 54.867 54.000 -0.008 0.000 0.842 772 D CB -0.382 40.375 40.800 -0.071 0.000 0.948 772 D HN 0.373 nan 8.370 nan 0.000 0.472 773 Y N 1.135 121.410 120.300 -0.041 0.000 2.315 773 Y HA -0.149 4.400 4.550 -0.000 0.000 0.288 773 Y C 2.092 177.964 175.900 -0.046 0.000 1.154 773 Y CA 0.962 59.037 58.100 -0.042 0.000 1.229 773 Y CB -0.091 38.344 38.460 -0.042 0.000 0.980 773 Y HN -0.060 nan 8.280 nan 0.000 0.540 774 D N -0.394 120.071 120.400 0.109 0.000 2.120 774 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 774 D C 2.305 178.619 176.300 0.024 0.000 0.972 774 D CA 0.897 54.923 54.000 0.044 0.000 0.837 774 D CB -0.521 40.286 40.800 0.012 0.000 0.989 774 D HN 0.228 nan 8.370 nan 0.000 0.469 775 L N 0.330 121.565 121.223 0.020 0.000 2.021 775 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 775 L C 2.470 179.404 176.870 0.107 0.000 1.074 775 L CA 0.955 55.840 54.840 0.075 0.000 0.760 775 L CB -0.486 41.640 42.059 0.110 0.000 0.889 775 L HN 0.097 nan 8.230 nan 0.000 0.433 776 M N -0.649 118.939 119.600 -0.021 0.000 2.149 776 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 776 M C 2.383 178.622 176.300 -0.101 0.000 1.064 776 M CA 2.002 57.215 55.300 -0.145 0.000 1.102 776 M CB -1.366 31.125 32.600 -0.181 0.000 1.369 776 M HN 0.338 nan 8.290 nan 0.000 0.408 777 A N -1.060 121.767 122.820 0.013 0.000 2.169 777 A HA -0.001 4.319 4.320 -0.000 0.000 0.212 777 A C 1.111 178.803 177.584 0.180 0.000 1.153 777 A CA 0.087 52.181 52.037 0.095 0.000 0.756 777 A CB -0.341 18.700 19.000 0.068 0.000 0.813 777 A HN 0.379 nan 8.150 nan 0.000 0.471 778 Q N 1.426 121.325 119.800 0.165 0.000 2.255 778 Q HA 0.196 4.536 4.340 -0.000 0.000 0.280 778 Q C -2.304 173.872 176.000 0.294 0.000 1.068 778 Q CA -1.944 53.964 55.803 0.176 0.000 0.911 778 Q CB 0.499 29.286 28.738 0.082 0.000 1.157 778 Q HN 0.331 nan 8.270 nan 0.000 0.380 779 P HA 0.086 nan 4.420 nan 0.000 0.272 779 P C -0.599 176.695 177.300 -0.010 0.000 1.240 779 P CA -0.030 63.024 63.100 -0.076 0.000 0.791 779 P CB 0.788 32.219 31.700 -0.449 0.000 0.978 780 I N 1.047 121.509 120.570 -0.179 0.000 2.377 780 I HA 0.233 4.403 4.170 -0.000 0.000 0.293 780 I C 0.414 176.434 176.117 -0.161 0.000 0.987 780 I CA -0.210 61.021 61.300 -0.114 0.000 1.185 780 I CB 1.327 39.185 38.000 -0.237 0.000 1.341 780 I HN 0.170 nan 8.210 nan 0.000 0.455 781 T N 7.439 121.988 114.554 -0.008 0.000 2.772 781 T HA 0.392 4.742 4.350 -0.000 0.000 0.288 781 T C -2.139 172.634 174.700 0.121 0.000 0.994 781 T CA -1.080 61.038 62.100 0.031 0.000 0.951 781 T CB 1.512 70.396 68.868 0.027 0.000 0.933 781 T HN 0.426 nan 8.240 nan 0.000 0.447 782 P HA 0.254 nan 4.420 nan 0.000 0.272 782 P C 0.540 177.911 177.300 0.117 0.000 1.230 782 P CA -0.337 62.893 63.100 0.217 0.000 0.788 782 P CB 0.475 32.309 31.700 0.224 0.000 0.949 783 G N 1.485 110.337 108.800 0.086 0.000 2.667 783 G HA2 0.372 4.332 3.960 -0.000 0.000 0.250 783 G HA3 0.372 4.332 3.960 -0.000 0.000 0.250 783 G C -2.280 172.646 174.900 0.044 0.000 1.212 783 G CA -0.810 44.323 45.100 0.055 0.000 0.874 783 G HN 0.434 nan 8.290 nan 0.000 0.561 784 P HA 0.256 nan 4.420 nan 0.000 0.276 784 P C 0.621 177.933 177.300 0.021 0.000 1.252 784 P CA -0.429 62.688 63.100 0.029 0.000 0.802 784 P CB 1.722 33.436 31.700 0.023 0.000 1.035 785 S N 0.349 116.061 115.700 0.020 0.000 2.331 785 S HA 0.008 4.478 4.470 -0.000 0.000 0.208 785 S C 0.926 175.532 174.600 0.009 0.000 1.032 785 S CA 0.702 58.910 58.200 0.013 0.000 0.991 785 S CB -0.769 62.440 63.200 0.015 0.000 0.980 785 S HN 0.451 nan 8.310 nan 0.000 0.433 786 I N 3.613 124.189 120.570 0.010 0.000 2.517 786 I HA 0.197 4.367 4.170 -0.000 0.000 0.285 786 I C -2.371 173.752 176.117 0.009 0.000 1.106 786 I CA -1.806 59.499 61.300 0.008 0.000 1.402 786 I CB -0.334 37.671 38.000 0.008 0.000 1.399 786 I HN 0.086 nan 8.210 nan 0.000 0.535 787 P HA 0.116 nan 4.420 nan 0.000 0.268 787 P C 0.935 178.239 177.300 0.007 0.000 1.208 787 P CA 0.241 63.345 63.100 0.008 0.000 0.777 787 P CB 0.671 32.375 31.700 0.007 0.000 0.875 788 G N 0.172 108.977 108.800 0.008 0.000 2.148 788 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.254 788 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.254 788 G C 0.370 175.274 174.900 0.007 0.000 0.981 788 G CA 0.126 45.230 45.100 0.007 0.000 0.670 788 G HN 0.878 nan 8.290 nan 0.000 0.528 789 A N 0.453 123.279 122.820 0.010 0.000 2.279 789 A HA 0.834 5.154 4.320 -0.000 0.000 0.303 789 A C -0.944 176.647 177.584 0.011 0.000 1.108 789 A CA -0.853 51.190 52.037 0.010 0.000 0.830 789 A CB 0.553 19.561 19.000 0.013 0.000 1.106 789 A HN 0.313 nan 8.150 nan 0.000 0.493 790 P HA 0.055 nan 4.420 nan 0.000 0.268 790 P C -0.445 176.862 177.300 0.012 0.000 1.208 790 P CA -0.094 63.010 63.100 0.008 0.000 0.777 790 P CB 0.264 31.967 31.700 0.005 0.000 0.875 791 Q N 3.179 122.984 119.800 0.009 0.000 2.308 791 Q HA 0.049 4.389 4.340 -0.000 0.000 0.313 791 Q C -2.046 173.963 176.000 0.014 0.000 1.075 791 Q CA -0.483 55.327 55.803 0.012 0.000 0.995 791 Q CB -0.543 28.198 28.738 0.005 0.000 1.107 791 Q HN 0.281 nan 8.270 nan 0.000 0.380 792 P HA 0.190 nan 4.420 nan 0.000 0.278 792 P C -0.841 176.471 177.300 0.021 0.000 1.238 792 P CA -0.612 62.508 63.100 0.034 0.000 0.794 792 P CB 0.383 32.119 31.700 0.059 0.000 0.955 793 I N 1.267 121.844 120.570 0.011 0.000 3.281 793 I HA -0.125 4.045 4.170 -0.000 0.000 0.346 793 I C -2.137 174.004 176.117 0.040 0.000 1.154 793 I CA -0.205 61.093 61.300 -0.003 0.000 1.507 793 I CB -1.438 36.579 38.000 0.029 0.000 1.263 793 I HN 0.301 nan 8.210 nan 0.000 0.515 794 P HA 0.360 nan 4.420 nan 0.000 0.284 794 P C -0.066 177.241 177.300 0.011 0.000 1.253 794 P CA -0.518 62.541 63.100 -0.069 0.000 0.800 794 P CB 1.273 32.848 31.700 -0.209 0.000 0.961 795 R N 1.239 121.687 120.500 -0.087 0.000 2.276 795 R HA 0.260 4.600 4.340 -0.000 0.000 0.195 795 R C -0.073 176.212 176.300 -0.024 0.000 0.908 795 R CA 0.107 56.283 56.100 0.126 0.000 1.083 795 R CB -0.260 30.145 30.300 0.176 0.000 1.182 795 R HN 0.322 nan 8.270 nan 0.000 0.608 796 L N 1.808 122.786 121.223 -0.408 0.000 2.265 796 L HA 0.471 4.811 4.340 -0.000 0.000 0.289 796 L C -1.165 175.246 176.870 -0.765 0.000 1.033 796 L CA -0.478 54.055 54.840 -0.511 0.000 0.814 796 L CB 0.521 42.135 42.059 -0.741 0.000 1.203 796 L HN -0.189 nan 8.230 nan 0.000 0.423 797 F N 4.539 124.185 119.950 -0.506 0.000 2.523 797 F HA 0.649 5.176 4.527 -0.000 0.000 0.329 797 F C -0.520 174.868 175.800 -0.688 0.000 1.061 797 F CA -0.422 57.330 58.000 -0.413 0.000 0.967 797 F CB 1.559 40.475 39.000 -0.140 0.000 1.218 797 F HN 0.189 nan 8.300 nan 0.000 0.480 798 F N 0.996 121.043 119.950 0.161 0.000 2.547 798 F HA 0.757 5.284 4.527 -0.000 0.000 0.316 798 F C 0.013 175.833 175.800 0.034 0.000 1.121 798 F CA -0.803 57.239 58.000 0.070 0.000 0.911 798 F CB 1.664 40.668 39.000 0.007 0.000 1.179 798 F HN 0.580 nan 8.300 nan 0.000 0.443 799 A N 1.556 124.490 122.820 0.189 0.000 2.486 799 A HA 1.023 5.343 4.320 -0.000 0.000 0.289 799 A C -0.255 177.335 177.584 0.010 0.000 1.176 799 A CA -0.464 51.614 52.037 0.069 0.000 0.757 799 A CB 1.707 20.738 19.000 0.050 0.000 1.337 799 A HN 1.637 nan 8.150 nan 0.000 0.423 800 G N -0.773 108.005 108.800 -0.037 0.000 2.335 800 G HA2 0.287 4.247 3.960 -0.000 0.000 0.592 800 G HA3 0.287 4.247 3.960 -0.000 0.000 0.592 800 G C 0.336 175.215 174.900 -0.036 0.000 1.442 800 G CA 0.389 45.496 45.100 0.012 0.000 0.976 800 G HN 1.107 nan 8.290 nan 0.000 0.652 801 E N 0.344 120.605 120.200 0.102 0.000 2.164 801 E HA -0.329 4.021 4.350 -0.000 0.000 0.206 801 E C 1.793 178.514 176.600 0.202 0.000 1.032 801 E CA 2.378 58.855 56.400 0.130 0.000 0.832 801 E CB -0.361 29.433 29.700 0.157 0.000 0.742 801 E HN 0.865 nan 8.360 nan 0.000 0.460 802 H N -0.260 118.886 119.070 0.126 0.000 2.563 802 H HA 0.069 4.625 4.556 -0.000 0.000 0.272 802 H C 1.308 176.684 175.328 0.081 0.000 1.005 802 H CA 1.420 57.517 56.048 0.082 0.000 1.171 802 H CB -0.528 29.195 29.762 -0.066 0.000 1.351 802 H HN 0.266 nan 8.280 nan 0.000 0.602 803 T N -2.351 112.079 114.554 -0.207 0.000 3.003 803 T HA 0.231 4.581 4.350 -0.000 0.000 0.261 803 T C 0.693 175.424 174.700 0.052 0.000 1.003 803 T CA -0.400 61.626 62.100 -0.124 0.000 0.917 803 T CB -0.208 68.535 68.868 -0.208 0.000 1.084 803 T HN 0.214 nan 8.240 nan 0.000 0.522 804 I N 2.761 123.386 120.570 0.092 0.000 2.316 804 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 804 I C 1.609 177.715 176.117 -0.019 0.000 1.107 804 I CA -1.125 60.211 61.300 0.060 0.000 1.219 804 I CB 0.467 38.506 38.000 0.065 0.000 1.455 804 I HN 0.055 nan 8.210 nan 0.000 0.498 805 R N 3.851 124.311 120.500 -0.068 0.000 2.189 805 R HA -0.269 4.071 4.340 -0.000 0.000 0.252 805 R C 1.024 177.086 176.300 -0.396 0.000 1.134 805 R CA 2.593 58.523 56.100 -0.283 0.000 0.954 805 R CB -0.047 30.160 30.300 -0.155 0.000 0.890 805 R HN 0.623 nan 8.270 nan 0.000 0.443 806 N N -1.069 117.383 118.700 -0.413 0.000 2.467 806 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 806 N C -0.387 174.538 175.510 -0.974 0.000 1.106 806 N CA 0.843 53.407 53.050 -0.810 0.000 0.892 806 N CB 0.375 38.075 38.487 -1.311 0.000 0.969 806 N HN 0.369 nan 8.380 nan 0.000 0.454 807 Y N -0.902 119.275 120.300 -0.205 0.000 2.720 807 Y HA 0.330 4.880 4.550 -0.000 0.000 0.264 807 Y C -2.361 173.446 175.900 -0.155 0.000 0.989 807 Y CA -2.008 56.015 58.100 -0.128 0.000 1.100 807 Y CB 0.634 39.082 38.460 -0.020 0.000 1.196 807 Y HN -0.079 nan 8.280 nan 0.000 0.631 808 P HA 0.103 nan 4.420 nan 0.000 0.271 808 P C 0.718 177.998 177.300 -0.033 0.000 1.244 808 P CA 0.891 63.981 63.100 -0.016 0.000 0.793 808 P CB 1.080 32.737 31.700 -0.071 0.000 0.984 809 A N -1.318 121.521 122.820 0.033 0.000 2.826 809 A HA -0.144 4.176 4.320 -0.000 0.000 0.274 809 A C 0.595 177.984 177.584 -0.324 0.000 1.443 809 A CA 1.692 53.667 52.037 -0.105 0.000 0.833 809 A CB -2.854 16.077 19.000 -0.115 0.000 1.023 809 A HN 0.900 nan 8.150 nan 0.000 0.600 810 T N -6.190 108.206 114.554 -0.264 0.000 2.812 810 T HA 0.655 5.005 4.350 -0.000 0.000 0.294 810 T C 0.785 175.292 174.700 -0.321 0.000 1.159 810 T CA -0.069 61.807 62.100 -0.374 0.000 1.008 810 T CB 1.457 69.952 68.868 -0.622 0.000 1.289 810 T HN 0.774 nan 8.240 nan 0.000 0.514 811 V N 1.644 121.398 119.914 -0.267 0.000 2.255 811 V HA -0.126 3.994 4.120 -0.000 0.000 0.243 811 V C 2.750 178.770 176.094 -0.124 0.000 1.038 811 V CA 2.166 64.367 62.300 -0.166 0.000 1.008 811 V CB -1.192 30.556 31.823 -0.125 0.000 0.645 811 V HN 1.063 nan 8.190 nan 0.000 0.449 812 H N -0.114 118.993 119.070 0.061 0.000 2.457 812 H HA -0.080 4.476 4.556 -0.000 0.000 0.297 812 H C 2.218 177.532 175.328 -0.023 0.000 1.092 812 H CA 1.611 57.688 56.048 0.047 0.000 1.309 812 H CB -0.708 29.154 29.762 0.166 0.000 1.382 812 H HN 0.424 nan 8.280 nan 0.000 0.535 813 G N 0.952 109.553 108.800 -0.333 0.000 2.404 813 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.215 813 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.215 813 G C 2.036 176.895 174.900 -0.069 0.000 1.174 813 G CA 1.395 46.425 45.100 -0.118 0.000 0.780 813 G HN 0.627 nan 8.290 nan 0.000 0.537 814 A N 0.970 123.742 122.820 -0.081 0.000 1.855 814 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 814 A C 2.352 179.910 177.584 -0.043 0.000 1.191 814 A CA 1.532 53.545 52.037 -0.040 0.000 0.613 814 A CB -0.701 18.279 19.000 -0.034 0.000 0.829 814 A HN 0.343 nan 8.150 nan 0.000 0.442 815 L N 0.180 121.375 121.223 -0.048 0.000 2.011 815 L HA -0.244 4.096 4.340 -0.000 0.000 0.225 815 L C 2.402 179.215 176.870 -0.094 0.000 1.084 815 L CA 2.448 57.257 54.840 -0.051 0.000 0.791 815 L CB -1.363 40.681 42.059 -0.026 0.000 0.898 815 L HN 0.491 nan 8.230 nan 0.000 0.440 816 L N -0.092 121.061 121.223 -0.117 0.000 2.079 816 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 816 L C 2.795 179.606 176.870 -0.097 0.000 1.081 816 L CA 1.661 56.406 54.840 -0.158 0.000 0.752 816 L CB -0.634 41.300 42.059 -0.210 0.000 0.896 816 L HN 0.512 nan 8.230 nan 0.000 0.433 817 S N -0.400 115.267 115.700 -0.055 0.000 2.387 817 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 817 S C 2.128 176.719 174.600 -0.015 0.000 1.026 817 S CA 0.720 58.906 58.200 -0.022 0.000 0.972 817 S CB -0.935 62.257 63.200 -0.014 0.000 0.814 817 S HN 0.403 nan 8.310 nan 0.000 0.477 818 G N 2.812 111.596 108.800 -0.027 0.000 2.514 818 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 818 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 818 G C 1.474 176.352 174.900 -0.036 0.000 1.198 818 G CA 1.250 46.334 45.100 -0.028 0.000 0.780 818 G HN 0.509 nan 8.290 nan 0.000 0.565 819 L N 0.010 121.194 121.223 -0.065 0.000 2.013 819 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 819 L C 2.955 179.812 176.870 -0.021 0.000 1.073 819 L CA 1.783 56.583 54.840 -0.068 0.000 0.753 819 L CB -0.607 41.360 42.059 -0.153 0.000 0.890 819 L HN 0.255 nan 8.230 nan 0.000 0.432 820 R N 0.283 120.774 120.500 -0.014 0.000 2.097 820 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 820 R C 2.283 178.611 176.300 0.048 0.000 1.135 820 R CA 1.858 57.978 56.100 0.033 0.000 0.934 820 R CB -0.109 30.211 30.300 0.034 0.000 0.846 820 R HN 0.321 nan 8.270 nan 0.000 0.431 821 E N 0.423 120.645 120.200 0.038 0.000 2.051 821 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 821 E C 1.985 178.567 176.600 -0.031 0.000 0.991 821 E CA 1.238 57.655 56.400 0.029 0.000 0.799 821 E CB -0.553 29.172 29.700 0.040 0.000 0.748 821 E HN 0.481 nan 8.360 nan 0.000 0.449 822 A N 1.491 124.305 122.820 -0.010 0.000 1.881 822 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 822 A C 2.551 180.206 177.584 0.118 0.000 1.215 822 A CA 2.767 54.833 52.037 0.049 0.000 0.648 822 A CB -1.530 17.503 19.000 0.055 0.000 0.832 822 A HN 0.371 nan 8.150 nan 0.000 0.455 823 G N -0.792 108.048 108.800 0.067 0.000 2.529 823 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.219 823 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.219 823 G C 1.747 176.575 174.900 -0.119 0.000 1.177 823 G CA 1.491 46.515 45.100 -0.127 0.000 0.773 823 G HN 0.672 nan 8.290 nan 0.000 0.573 824 R N -0.004 120.479 120.500 -0.029 0.000 2.092 824 R HA 0.100 4.440 4.340 -0.000 0.000 0.231 824 R C 2.523 178.788 176.300 -0.058 0.000 1.119 824 R CA 0.990 57.101 56.100 0.018 0.000 0.970 824 R CB -0.315 30.063 30.300 0.130 0.000 0.864 824 R HN 0.440 nan 8.270 nan 0.000 0.440 825 I N 0.801 121.245 120.570 -0.210 0.000 2.163 825 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 825 I C 2.548 178.657 176.117 -0.013 0.000 1.081 825 I CA 1.364 62.491 61.300 -0.288 0.000 1.353 825 I CB -0.355 37.351 38.000 -0.491 0.000 1.054 825 I HN 0.303 nan 8.210 nan 0.000 0.407 826 A N 0.328 123.133 122.820 -0.025 0.000 1.908 826 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 826 A C 1.928 179.446 177.584 -0.109 0.000 1.181 826 A CA 2.301 54.306 52.037 -0.054 0.000 0.627 826 A CB -0.726 18.113 19.000 -0.269 0.000 0.818 826 A HN 0.372 nan 8.150 nan 0.000 0.445 827 D N -1.136 119.182 120.400 -0.136 0.000 2.149 827 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 827 D C 2.071 178.287 176.300 -0.140 0.000 0.990 827 D CA 1.723 55.645 54.000 -0.130 0.000 0.839 827 D CB -0.266 40.487 40.800 -0.079 0.000 0.948 827 D HN 0.621 nan 8.370 nan 0.000 0.460 828 Q N -0.837 118.872 119.800 -0.152 0.000 2.079 828 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 828 Q C 1.447 177.146 176.000 -0.502 0.000 0.974 828 Q CA 1.402 57.001 55.803 -0.341 0.000 0.840 828 Q CB -0.195 28.295 28.738 -0.414 0.000 0.898 828 Q HN 0.279 nan 8.270 nan 0.000 0.430 829 F N -1.361 118.567 119.950 -0.037 0.000 2.622 829 F HA 0.251 4.778 4.527 -0.000 0.000 0.288 829 F C 1.279 177.060 175.800 -0.032 0.000 1.120 829 F CA 0.192 58.178 58.000 -0.023 0.000 1.423 829 F CB 0.425 39.413 39.000 -0.020 0.000 1.127 829 F HN -0.024 nan 8.300 nan 0.000 0.588 830 L N -0.579 120.696 121.223 0.087 0.000 2.640 830 L HA 0.447 4.787 4.340 -0.000 0.000 0.230 830 L C 0.879 177.725 176.870 -0.040 0.000 1.123 830 L CA 0.158 55.014 54.840 0.026 0.000 0.900 830 L CB -0.746 41.320 42.059 0.011 0.000 1.146 830 L HN 0.170 nan 8.230 nan 0.000 0.484 831 G N 1.024 109.775 108.800 -0.082 0.000 2.785 831 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.685 831 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.685 831 G C -0.248 174.543 174.900 -0.182 0.000 1.480 831 G CA -0.326 44.698 45.100 -0.127 0.000 0.915 831 G HN 0.374 nan 8.290 nan 0.000 0.576 832 A N 2.094 124.753 122.820 -0.268 0.000 2.923 832 A HA 0.600 4.920 4.320 -0.000 0.000 0.343 832 A C 1.536 178.798 177.584 -0.537 0.000 1.199 832 A CA 0.333 52.063 52.037 -0.511 0.000 0.878 832 A CB 0.035 18.664 19.000 -0.618 0.000 1.104 832 A HN 0.765 nan 8.150 nan 0.000 0.483 833 M N 0.450 119.861 119.600 -0.314 0.000 2.149 833 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 833 M C 1.758 177.949 176.300 -0.182 0.000 1.064 833 M CA 1.786 56.980 55.300 -0.177 0.000 1.102 833 M CB -1.688 30.883 32.600 -0.049 0.000 1.369 833 M HN 0.953 nan 8.290 nan 0.000 0.408 834 Y N 0.957 121.190 120.300 -0.112 0.000 2.680 834 Y HA 0.050 4.600 4.550 -0.000 0.000 0.303 834 Y C 1.776 177.522 175.900 -0.255 0.000 1.166 834 Y CA 1.010 59.020 58.100 -0.150 0.000 1.344 834 Y CB -1.950 36.436 38.460 -0.124 0.000 1.002 834 Y HN 0.324 nan 8.280 nan 0.000 0.537 835 T N -2.510 111.813 114.554 -0.386 0.000 3.235 835 T HA 0.329 4.679 4.350 -0.000 0.000 0.251 835 T C 0.140 174.698 174.700 -0.236 0.000 1.060 835 T CA -0.218 61.677 62.100 -0.342 0.000 0.949 835 T CB -0.244 68.410 68.868 -0.356 0.000 1.020 835 T HN 0.062 nan 8.240 nan 0.000 0.564 836 L N 0.000 121.119 121.223 -0.173 0.000 2.949 836 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 836 L CA 0.000 54.778 54.840 -0.104 0.000 0.813 836 L CB 0.000 42.012 42.059 -0.078 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502