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 2zj6_1_A DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGDVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKASTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGISITRDIG DATA SEQUENCE SIVTKEPGFL WGLFKDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.127 3.960 -1.388 0.000 0.244 2 G C 0.000 174.623 174.900 -0.462 0.000 0.946 2 G CA 0.000 44.721 45.100 -0.631 0.000 0.502 3 V N 0.169 119.645 119.914 -0.731 0.000 2.594 3 V HA -0.023 3.264 4.120 -1.388 0.000 0.253 3 V C 1.265 177.166 176.094 -0.321 0.000 1.069 3 V CA 1.570 63.536 62.300 -0.556 0.000 1.082 3 V CB -0.615 30.750 31.823 -0.762 0.000 0.680 3 V HN 0.616 nan 8.190 nan 0.000 0.469 4 Y N -0.028 120.294 120.300 0.036 0.000 2.658 4 Y HA 0.424 4.142 4.550 -1.388 0.000 0.276 4 Y C 0.526 176.542 175.900 0.194 0.000 1.167 4 Y CA -1.984 56.178 58.100 0.102 0.000 1.230 4 Y CB -0.804 37.631 38.460 -0.041 0.000 1.144 4 Y HN 0.249 nan 8.280 nan 0.000 0.529 5 D N 0.653 121.208 120.400 0.258 0.000 2.472 5 D HA -0.057 3.750 4.640 -1.388 0.000 0.237 5 D C -0.739 175.767 176.300 0.343 0.000 1.141 5 D CA 0.929 55.087 54.000 0.263 0.000 0.875 5 D CB 0.520 41.410 40.800 0.151 0.000 1.192 5 D HN 0.245 nan 8.370 nan 0.000 0.450 6 Y N 1.830 122.277 120.300 0.246 0.000 2.386 6 Y HA 0.195 3.913 4.550 -1.387 0.000 0.334 6 Y C 0.706 176.805 175.900 0.332 0.000 1.002 6 Y CA -0.700 57.565 58.100 0.274 0.000 1.068 6 Y CB 0.893 39.513 38.460 0.267 0.000 1.203 6 Y HN 0.442 nan 8.280 nan 0.000 0.443 7 K N 2.212 122.424 120.400 -0.315 0.000 1.721 7 K HA -0.391 3.096 4.320 -1.388 0.000 0.121 7 K C -0.366 176.148 176.600 -0.143 0.000 1.152 7 K CA 2.292 58.409 56.287 -0.284 0.000 0.360 7 K CB -0.859 31.403 32.500 -0.397 0.000 0.626 7 K HN 0.899 nan 8.250 nan 0.000 0.878 8 N N 0.268 118.817 118.700 -0.252 0.000 2.467 8 N HA 0.264 4.172 4.740 -1.388 0.000 0.278 8 N C -1.009 174.352 175.510 -0.248 0.000 1.306 8 N CA -0.411 52.517 53.050 -0.205 0.000 0.905 8 N CB 0.219 38.581 38.487 -0.209 0.000 1.236 8 N HN 0.082 nan 8.380 nan 0.000 0.509 9 F N 0.696 120.672 119.950 0.043 0.000 2.406 9 F HA 0.399 4.093 4.527 -1.387 0.000 0.327 9 F C 1.766 177.608 175.800 0.070 0.000 1.153 9 F CA -0.616 57.426 58.000 0.071 0.000 1.218 9 F CB 0.388 39.459 39.000 0.118 0.000 1.215 9 F HN -0.027 nan 8.300 nan 0.000 0.570 10 G N 0.318 109.266 108.800 0.246 0.000 2.516 10 G HA2 0.227 3.354 3.960 -1.388 0.000 0.276 10 G HA3 0.227 3.354 3.960 -1.388 0.000 0.276 10 G C 0.763 175.780 174.900 0.195 0.000 1.390 10 G CA -0.217 44.983 45.100 0.167 0.000 1.050 10 G HN 0.606 nan 8.290 nan 0.000 0.519 11 T N 0.607 115.257 114.554 0.161 0.000 2.708 11 T HA -0.052 3.465 4.350 -1.388 0.000 0.266 11 T C 2.746 177.545 174.700 0.166 0.000 1.037 11 T CA 1.861 64.078 62.100 0.195 0.000 1.146 11 T CB -0.390 68.590 68.868 0.187 0.000 0.865 11 T HN 0.568 nan 8.240 nan 0.000 0.435 12 A N 2.000 124.890 122.820 0.116 0.000 1.854 12 A HA -0.095 3.392 4.320 -1.388 0.000 0.214 12 A C 2.114 179.733 177.584 0.058 0.000 1.192 12 A CA 1.572 53.648 52.037 0.064 0.000 0.611 12 A CB -0.707 18.325 19.000 0.053 0.000 0.832 12 A HN 0.321 nan 8.150 nan 0.000 0.442 13 D N 0.055 120.512 120.400 0.095 0.000 2.149 13 D HA -0.086 3.721 4.640 -1.388 0.000 0.198 13 D C 2.226 178.524 176.300 -0.004 0.000 0.990 13 D CA 1.549 55.588 54.000 0.065 0.000 0.839 13 D CB -0.399 40.514 40.800 0.188 0.000 0.948 13 D HN 0.349 nan 8.370 nan 0.000 0.460 14 S N 0.172 115.941 115.700 0.114 0.000 2.382 14 S HA -0.131 3.506 4.470 -1.388 0.000 0.228 14 S C 1.778 176.454 174.600 0.127 0.000 1.027 14 S CA 1.003 59.288 58.200 0.143 0.000 0.991 14 S CB 0.024 63.394 63.200 0.283 0.000 0.823 14 S HN 0.298 nan 8.310 nan 0.000 0.469 15 K N 1.330 121.778 120.400 0.081 0.000 2.062 15 K HA 0.099 3.586 4.320 -1.388 0.000 0.205 15 K C 2.402 179.034 176.600 0.053 0.000 1.051 15 K CA 1.055 57.355 56.287 0.021 0.000 0.941 15 K CB -0.289 32.112 32.500 -0.166 0.000 0.719 15 K HN 0.301 nan 8.250 nan 0.000 0.440 16 A N 1.684 124.510 122.820 0.010 0.000 1.933 16 A HA -0.142 3.345 4.320 -1.388 0.000 0.218 16 A C 2.087 179.670 177.584 -0.002 0.000 1.175 16 A CA 1.070 53.107 52.037 0.001 0.000 0.628 16 A CB -0.592 18.394 19.000 -0.024 0.000 0.814 16 A HN 0.198 nan 8.150 nan 0.000 0.444 17 L N -1.768 119.423 121.223 -0.053 0.000 1.989 17 L HA -0.182 3.325 4.340 -1.388 0.000 0.211 17 L C 2.468 179.307 176.870 -0.051 0.000 1.071 17 L CA 2.359 57.133 54.840 -0.111 0.000 0.749 17 L CB -0.633 41.276 42.059 -0.248 0.000 0.890 17 L HN 0.538 nan 8.230 nan 0.000 0.431 18 F N 0.405 120.282 119.950 -0.122 0.000 2.091 18 F HA -0.302 3.391 4.527 -1.389 0.000 0.299 18 F C 2.655 178.410 175.800 -0.074 0.000 1.103 18 F CA 2.086 60.013 58.000 -0.123 0.000 1.228 18 F CB -0.158 38.758 39.000 -0.140 0.000 0.984 18 F HN 0.019 nan 8.300 nan 0.000 0.477 19 S N -0.087 115.693 115.700 0.134 0.000 2.383 19 S HA -0.185 3.452 4.470 -1.388 0.000 0.227 19 S C 1.585 176.173 174.600 -0.020 0.000 1.026 19 S CA 1.283 59.522 58.200 0.064 0.000 0.981 19 S CB -0.404 62.857 63.200 0.101 0.000 0.818 19 S HN 0.449 nan 8.310 nan 0.000 0.472 20 D N 1.663 122.078 120.400 0.026 0.000 2.117 20 D HA 0.011 3.818 4.640 -1.388 0.000 0.198 20 D C 2.153 178.373 176.300 -0.133 0.000 0.982 20 D CA 1.173 55.239 54.000 0.111 0.000 0.828 20 D CB -0.410 40.567 40.800 0.295 0.000 0.967 20 D HN 0.367 nan 8.370 nan 0.000 0.464 21 A N 0.680 123.370 122.820 -0.218 0.000 1.902 21 A HA -0.191 3.296 4.320 -1.388 0.000 0.217 21 A C 2.149 179.600 177.584 -0.223 0.000 1.181 21 A CA 1.761 53.638 52.037 -0.267 0.000 0.623 21 A CB -0.518 18.293 19.000 -0.315 0.000 0.818 21 A HN 0.164 nan 8.150 nan 0.000 0.443 22 M N 0.232 119.611 119.600 -0.368 0.000 2.086 22 M HA -0.045 3.602 4.480 -1.388 0.000 0.261 22 M C 2.172 178.296 176.300 -0.294 0.000 1.067 22 M CA 1.751 56.759 55.300 -0.486 0.000 1.116 22 M CB -0.689 31.589 32.600 -0.538 0.000 1.348 22 M HN 0.383 nan 8.290 nan 0.000 0.407 23 A N 0.366 123.068 122.820 -0.198 0.000 1.877 23 A HA -0.125 3.362 4.320 -1.388 0.000 0.216 23 A C 2.161 179.638 177.584 -0.178 0.000 1.186 23 A CA 1.997 53.959 52.037 -0.124 0.000 0.620 23 A CB -1.371 17.629 19.000 0.001 0.000 0.822 23 A HN 0.776 nan 8.150 nan 0.000 0.443 24 I N -3.273 117.102 120.570 -0.324 0.000 2.439 24 I HA -0.106 3.232 4.170 -1.388 0.000 0.251 24 I C 2.095 178.067 176.117 -0.243 0.000 1.139 24 I CA 1.940 63.014 61.300 -0.378 0.000 1.438 24 I CB -1.116 36.459 38.000 -0.707 0.000 1.085 24 I HN 0.103 nan 8.210 nan 0.000 0.427 25 T N 2.437 116.851 114.554 -0.234 0.000 2.684 25 T HA -0.089 3.428 4.350 -1.388 0.000 0.267 25 T C 2.017 176.619 174.700 -0.162 0.000 1.036 25 T CA 1.919 63.907 62.100 -0.187 0.000 1.148 25 T CB -0.417 68.365 68.868 -0.142 0.000 0.863 25 T HN 0.331 nan 8.240 nan 0.000 0.436 26 L N -0.412 120.726 121.223 -0.141 0.000 2.046 26 L HA -0.099 3.409 4.340 -1.388 0.000 0.208 26 L C 2.401 179.221 176.870 -0.084 0.000 1.077 26 L CA 1.467 56.264 54.840 -0.072 0.000 0.747 26 L CB -0.588 41.425 42.059 -0.076 0.000 0.896 26 L HN 0.279 nan 8.230 nan 0.000 0.432 27 Y N 1.300 121.461 120.300 -0.231 0.000 2.165 27 Y HA -0.339 3.380 4.550 -1.385 0.000 0.286 27 Y C 2.948 178.512 175.900 -0.561 0.000 1.155 27 Y CA 1.540 59.444 58.100 -0.328 0.000 1.164 27 Y CB -0.469 37.822 38.460 -0.281 0.000 0.978 27 Y HN 0.295 nan 8.280 nan 0.000 0.513 28 S N -1.190 114.141 115.700 -0.616 0.000 2.419 28 S HA -0.264 3.373 4.470 -1.388 0.000 0.235 28 S C 1.674 175.934 174.600 -0.567 0.000 1.019 28 S CA 1.477 59.283 58.200 -0.656 0.000 0.982 28 S CB -1.131 61.790 63.200 -0.464 0.000 0.789 28 S HN 0.539 nan 8.310 nan 0.000 0.490 29 Y N 1.419 121.517 120.300 -0.337 0.000 2.517 29 Y HA 0.195 3.926 4.550 -1.365 0.000 0.281 29 Y C 0.853 176.714 175.900 -0.064 0.000 1.125 29 Y CA 0.147 58.158 58.100 -0.149 0.000 1.283 29 Y CB -0.479 37.898 38.460 -0.137 0.000 1.042 29 Y HN 0.391 nan 8.280 nan 0.000 0.547 30 H N 0.518 119.547 119.070 -0.069 0.000 2.626 30 H HA -0.227 3.494 4.556 -1.391 0.000 0.317 30 H C 0.105 175.469 175.328 0.059 0.000 1.140 30 H CA 0.746 56.757 56.048 -0.062 0.000 1.134 30 H CB -1.695 28.012 29.762 -0.091 0.000 1.486 30 H HN 0.456 nan 8.280 nan 0.000 0.417 31 N N -0.886 117.886 118.700 0.119 0.000 2.714 31 N HA -0.219 3.688 4.740 -1.388 0.000 0.250 31 N C 1.542 177.134 175.510 0.137 0.000 1.117 31 N CA 0.918 54.032 53.050 0.107 0.000 0.719 31 N CB -0.950 37.596 38.487 0.099 0.000 1.081 31 N HN 0.428 nan 8.380 nan 0.000 0.557 32 L N 1.850 123.161 121.223 0.146 0.000 2.054 32 L HA -0.215 3.292 4.340 -1.388 0.000 0.220 32 L C 1.865 178.785 176.870 0.083 0.000 1.081 32 L CA 2.808 57.724 54.840 0.127 0.000 0.780 32 L CB -0.310 41.811 42.059 0.104 0.000 0.893 32 L HN 0.392 nan 8.230 nan 0.000 0.438 33 D N -2.163 118.241 120.400 0.007 0.000 2.363 33 D HA -0.098 3.710 4.640 -1.388 0.000 0.214 33 D C 1.505 177.876 176.300 0.119 0.000 1.093 33 D CA 0.090 54.111 54.000 0.035 0.000 0.837 33 D CB -0.812 39.933 40.800 -0.092 0.000 0.948 33 D HN 0.446 nan 8.370 nan 0.000 0.507 34 N N 1.676 120.436 118.700 0.100 0.000 2.039 34 N HA -0.136 3.772 4.740 -1.388 0.000 0.193 34 N C 1.995 177.564 175.510 0.099 0.000 1.044 34 N CA 2.155 55.254 53.050 0.082 0.000 0.847 34 N CB -0.654 37.863 38.487 0.050 0.000 1.030 34 N HN 0.293 nan 8.380 nan 0.000 0.422 35 G N -0.187 108.681 108.800 0.114 0.000 2.442 35 G HA2 -0.250 2.877 3.960 -1.388 0.000 0.219 35 G HA3 -0.250 2.877 3.960 -1.388 0.000 0.219 35 G C 1.518 176.510 174.900 0.152 0.000 1.141 35 G CA 0.538 45.703 45.100 0.110 0.000 0.763 35 G HN 0.403 nan 8.290 nan 0.000 0.554 36 F N 2.189 122.190 119.950 0.085 0.000 2.113 36 F HA 0.086 4.702 4.527 0.148 0.000 0.297 36 F C 2.859 178.735 175.800 0.127 0.000 1.103 36 F CA 1.468 59.531 58.000 0.104 0.000 1.248 36 F CB -0.216 38.836 39.000 0.087 0.000 0.999 36 F HN 0.226 nan 8.300 nan 0.000 0.475 37 A N 0.457 123.443 122.820 0.276 0.000 1.883 37 A HA -0.167 3.320 4.320 -1.388 0.000 0.217 37 A C 2.386 180.059 177.584 0.148 0.000 1.186 37 A CA 2.006 54.160 52.037 0.195 0.000 0.624 37 A CB -1.633 17.451 19.000 0.140 0.000 0.822 37 A HN 0.516 nan 8.150 nan 0.000 0.444 38 A N -0.640 122.235 122.820 0.092 0.000 1.940 38 A HA 0.095 3.583 4.320 -1.388 0.000 0.219 38 A C 2.394 180.006 177.584 0.047 0.000 1.176 38 A CA 2.040 54.113 52.037 0.061 0.000 0.631 38 A CB -1.335 17.680 19.000 0.025 0.000 0.814 38 A HN 0.737 nan 8.150 nan 0.000 0.446 39 G N -1.676 107.121 108.800 -0.006 0.000 2.404 39 G HA2 -0.241 2.886 3.960 -1.388 0.000 0.215 39 G HA3 -0.241 2.886 3.960 -1.388 0.000 0.215 39 G C 1.560 176.440 174.900 -0.033 0.000 1.174 39 G CA 1.169 46.243 45.100 -0.043 0.000 0.780 39 G HN 0.631 nan 8.290 nan 0.000 0.537 40 Y N 1.040 121.210 120.300 -0.218 0.000 2.207 40 Y HA -0.194 3.523 4.550 -1.390 0.000 0.287 40 Y C 2.889 178.779 175.900 -0.017 0.000 1.156 40 Y CA 2.386 60.414 58.100 -0.119 0.000 1.182 40 Y CB -0.123 38.263 38.460 -0.123 0.000 0.979 40 Y HN 0.291 nan 8.280 nan 0.000 0.521 41 Q N -0.701 119.113 119.800 0.023 0.000 2.083 41 Q HA -0.172 3.335 4.340 -1.388 0.000 0.198 41 Q C 2.153 178.107 176.000 -0.077 0.000 0.969 41 Q CA 2.184 57.961 55.803 -0.044 0.000 0.838 41 Q CB -0.546 28.256 28.738 0.108 0.000 0.900 41 Q HN 0.723 nan 8.270 nan 0.000 0.436 42 H N -0.918 118.099 119.070 -0.089 0.000 2.395 42 H HA 0.106 3.826 4.556 -1.393 0.000 0.299 42 H C 0.799 176.070 175.328 -0.095 0.000 1.070 42 H CA 1.988 57.990 56.048 -0.077 0.000 1.356 42 H CB 0.235 29.968 29.762 -0.047 0.000 1.401 42 H HN 0.398 nan 8.280 nan 0.000 0.524 43 N N -0.945 117.696 118.700 -0.098 0.000 2.257 43 N HA 0.255 4.162 4.740 -1.388 0.000 0.200 43 N C 0.108 175.550 175.510 -0.113 0.000 1.163 43 N CA 0.207 53.197 53.050 -0.100 0.000 0.891 43 N CB 1.920 40.410 38.487 0.005 0.000 1.067 43 N HN 0.464 nan 8.380 nan 0.000 0.497 44 G N 1.192 109.863 108.800 -0.215 0.000 2.627 44 G HA2 -0.270 2.858 3.960 -1.388 0.000 0.214 44 G HA3 -0.270 2.858 3.960 -1.388 0.000 0.214 44 G C -0.873 174.086 174.900 0.098 0.000 1.331 44 G CA -0.512 44.478 45.100 -0.182 0.000 0.891 44 G HN 0.165 nan 8.290 nan 0.000 0.539 45 F N 2.362 122.382 119.950 0.116 0.000 2.791 45 F HA 0.510 4.124 4.527 -1.521 0.000 0.308 45 F C 1.842 177.880 175.800 0.398 0.000 1.138 45 F CA 0.543 58.708 58.000 0.276 0.000 1.294 45 F CB 0.044 39.210 39.000 0.277 0.000 0.975 45 F HN 0.756 nan 8.300 nan 0.000 0.512 46 G N 0.680 109.647 108.800 0.279 0.000 2.418 46 G HA2 -0.211 2.916 3.960 -1.388 0.000 0.217 46 G HA3 -0.211 2.916 3.960 -1.388 0.000 0.217 46 G C 1.546 176.550 174.900 0.174 0.000 1.158 46 G CA 0.625 45.868 45.100 0.237 0.000 0.771 46 G HN 0.408 nan 8.290 nan 0.000 0.545 47 L N 0.968 122.241 121.223 0.083 0.000 2.622 47 L HA 0.206 3.713 4.340 -1.388 0.000 0.233 47 L C 1.938 178.802 176.870 -0.011 0.000 1.156 47 L CA 0.188 55.061 54.840 0.055 0.000 0.866 47 L CB -0.763 41.332 42.059 0.059 0.000 0.980 47 L HN 0.465 nan 8.230 nan 0.000 0.448 48 G N 0.643 109.254 108.800 -0.315 0.000 2.575 48 G HA2 -0.350 2.778 3.960 -1.388 0.000 0.267 48 G HA3 -0.350 2.778 3.960 -1.388 0.000 0.267 48 G C -0.627 174.086 174.900 -0.312 0.000 1.264 48 G CA 0.057 44.634 45.100 -0.872 0.000 0.935 48 G HN 0.142 nan 8.290 nan 0.000 0.568 49 L N 2.059 123.266 121.223 -0.026 0.000 2.349 49 L HA 0.599 4.106 4.340 -1.388 0.000 0.278 49 L C -1.861 175.045 176.870 0.059 0.000 0.996 49 L CA -1.946 53.005 54.840 0.186 0.000 0.825 49 L CB 2.195 44.387 42.059 0.221 0.000 1.243 49 L HN 0.589 nan 8.230 nan 0.000 0.412 50 P HA 0.122 nan 4.420 nan 0.000 0.276 50 P C 0.351 177.607 177.300 -0.073 0.000 1.235 50 P CA -0.260 62.847 63.100 0.012 0.000 0.772 50 P CB 1.632 33.364 31.700 0.053 0.000 0.871 51 A N 4.027 126.800 122.820 -0.078 0.000 1.971 51 A HA -0.267 3.221 4.320 -1.388 0.000 0.222 51 A C 2.072 179.580 177.584 -0.126 0.000 1.182 51 A CA 2.827 54.787 52.037 -0.129 0.000 0.649 51 A CB -1.975 16.968 19.000 -0.094 0.000 0.818 51 A HN 0.684 nan 8.150 nan 0.000 0.458 52 T N -2.272 112.239 114.554 -0.073 0.000 2.833 52 T HA -0.140 3.377 4.350 -1.388 0.000 0.269 52 T C 1.691 176.350 174.700 -0.067 0.000 1.054 52 T CA 1.458 63.526 62.100 -0.054 0.000 1.135 52 T CB -0.407 68.451 68.868 -0.016 0.000 0.869 52 T HN 0.245 nan 8.240 nan 0.000 0.466 53 L N 1.405 122.566 121.223 -0.103 0.000 2.027 53 L HA 0.100 3.607 4.340 -1.388 0.000 0.206 53 L C 2.676 179.468 176.870 -0.131 0.000 1.074 53 L CA 1.238 55.998 54.840 -0.134 0.000 0.745 53 L CB -0.872 41.027 42.059 -0.266 0.000 0.898 53 L HN 0.174 nan 8.230 nan 0.000 0.433 54 V N -0.089 119.685 119.914 -0.233 0.000 2.282 54 V HA -0.366 2.922 4.120 -1.388 0.000 0.249 54 V C 2.722 178.691 176.094 -0.208 0.000 1.057 54 V CA 2.391 64.462 62.300 -0.382 0.000 1.032 54 V CB -1.664 29.698 31.823 -0.769 0.000 0.645 54 V HN 0.757 nan 8.190 nan 0.000 0.447 55 T N -0.964 113.501 114.554 -0.149 0.000 2.788 55 T HA -0.142 3.376 4.350 -1.388 0.000 0.268 55 T C 1.926 176.633 174.700 0.012 0.000 1.044 55 T CA 1.537 63.600 62.100 -0.061 0.000 1.139 55 T CB -0.520 68.315 68.868 -0.055 0.000 0.867 55 T HN 0.497 nan 8.240 nan 0.000 0.454 56 A N 1.830 124.659 122.820 0.015 0.000 1.877 56 A HA 0.132 3.619 4.320 -1.388 0.000 0.216 56 A C 2.469 180.136 177.584 0.139 0.000 1.186 56 A CA 1.474 53.550 52.037 0.065 0.000 0.620 56 A CB -0.968 18.059 19.000 0.045 0.000 0.822 56 A HN 0.545 nan 8.150 nan 0.000 0.443 57 L N -0.841 120.473 121.223 0.152 0.000 2.046 57 L HA -0.155 3.352 4.340 -1.388 0.000 0.208 57 L C 2.423 179.489 176.870 0.328 0.000 1.077 57 L CA 1.055 56.070 54.840 0.291 0.000 0.747 57 L CB -0.412 41.860 42.059 0.354 0.000 0.896 57 L HN 0.361 nan 8.230 nan 0.000 0.432 58 L N -1.306 120.062 121.223 0.242 0.000 2.341 58 L HA 0.042 3.550 4.340 -1.388 0.000 0.214 58 L C 2.024 179.012 176.870 0.197 0.000 1.115 58 L CA 0.949 55.932 54.840 0.240 0.000 0.820 58 L CB -0.354 41.819 42.059 0.190 0.000 0.944 58 L HN 0.306 nan 8.230 nan 0.000 0.452 59 G N -1.482 107.413 108.800 0.158 0.000 3.146 59 G HA2 0.448 3.575 3.960 -1.388 0.000 0.238 59 G HA3 0.448 3.575 3.960 -1.388 0.000 0.238 59 G C 0.665 175.647 174.900 0.137 0.000 1.022 59 G CA 0.408 45.588 45.100 0.134 0.000 0.880 59 G HN 0.425 nan 8.290 nan 0.000 0.533 60 G N -0.346 108.544 108.800 0.149 0.000 2.760 60 G HA2 0.316 3.443 3.960 -1.388 0.000 0.246 60 G HA3 0.316 3.443 3.960 -1.388 0.000 0.246 60 G C -0.140 174.825 174.900 0.108 0.000 1.359 60 G CA 0.205 45.392 45.100 0.144 0.000 0.861 60 G HN 1.580 nan 8.290 nan 0.000 0.541 61 T N -2.699 111.914 114.554 0.099 0.000 2.916 61 T HA 0.564 4.082 4.350 -1.388 0.000 0.298 61 T C -0.746 173.978 174.700 0.039 0.000 1.031 61 T CA 0.229 62.363 62.100 0.057 0.000 0.993 61 T CB 2.274 71.169 68.868 0.045 0.000 1.045 61 T HN 1.039 nan 8.240 nan 0.000 0.454 62 D N 2.733 123.137 120.400 0.007 0.000 2.416 62 D HA 0.361 4.169 4.640 -1.388 0.000 0.240 62 D C 0.394 176.663 176.300 -0.052 0.000 1.250 62 D CA -0.056 53.934 54.000 -0.016 0.000 0.967 62 D CB -0.053 40.732 40.800 -0.024 0.000 1.059 62 D HN 0.703 nan 8.370 nan 0.000 0.512 63 S N 2.496 118.167 115.700 -0.049 0.000 2.704 63 S HA 0.644 4.282 4.470 -1.388 0.000 0.305 63 S C -0.504 174.035 174.600 -0.102 0.000 1.107 63 S CA -1.051 57.095 58.200 -0.089 0.000 0.993 63 S CB 1.812 64.982 63.200 -0.050 0.000 1.110 63 S HN 0.513 nan 8.310 nan 0.000 0.534 64 Q N -0.160 119.552 119.800 -0.146 0.000 2.305 64 Q HA 0.719 4.227 4.340 -1.388 0.000 0.271 64 Q C -0.465 175.170 176.000 -0.609 0.000 1.046 64 Q CA -0.500 55.178 55.803 -0.209 0.000 0.798 64 Q CB 1.416 30.152 28.738 -0.004 0.000 1.286 64 Q HN 1.310 nan 8.270 nan 0.000 0.435 65 G N 0.541 108.697 108.800 -1.073 0.000 2.317 65 G HA2 0.352 3.479 3.960 -1.388 0.000 0.293 65 G HA3 0.352 3.479 3.960 -1.388 0.000 0.293 65 G C -0.892 173.347 174.900 -1.101 0.000 1.287 65 G CA -0.316 43.672 45.100 -1.853 0.000 0.850 65 G HN 1.249 nan 8.290 nan 0.000 0.515 66 V N -1.012 118.516 119.914 -0.644 0.000 2.872 66 V HA 0.681 3.968 4.120 -1.388 0.000 0.307 66 V C 0.051 176.076 176.094 -0.116 0.000 1.072 66 V CA -0.341 61.870 62.300 -0.147 0.000 1.148 66 V CB 0.733 32.559 31.823 0.004 0.000 0.954 66 V HN 0.737 nan 8.190 nan 0.000 0.490 67 I N 3.226 123.788 120.570 -0.013 0.000 2.692 67 I HA 0.487 3.824 4.170 -1.388 0.000 0.293 67 I C -2.773 173.367 176.117 0.039 0.000 1.200 67 I CA -2.205 59.094 61.300 -0.003 0.000 1.036 67 I CB 2.021 40.019 38.000 -0.004 0.000 1.258 67 I HN 0.522 nan 8.210 nan 0.000 0.421 68 P HA 0.232 nan 4.420 nan 0.000 0.263 68 P C 0.853 178.192 177.300 0.065 0.000 1.195 68 P CA 0.722 63.848 63.100 0.045 0.000 0.762 68 P CB 0.468 32.184 31.700 0.027 0.000 0.799 69 G N 3.036 111.893 108.800 0.094 0.000 2.179 69 G HA2 -0.247 2.880 3.960 -1.388 0.000 0.260 69 G HA3 -0.247 2.880 3.960 -1.388 0.000 0.260 69 G C 0.108 175.129 174.900 0.201 0.000 0.977 69 G CA -0.329 44.851 45.100 0.134 0.000 0.641 69 G HN 0.527 nan 8.290 nan 0.000 0.533 70 I N 2.039 122.714 120.570 0.175 0.000 2.460 70 I HA 0.259 3.596 4.170 -1.388 0.000 0.277 70 I C -2.211 174.049 176.117 0.239 0.000 1.057 70 I CA -2.133 59.299 61.300 0.220 0.000 1.179 70 I CB 1.648 39.733 38.000 0.142 0.000 1.329 70 I HN -0.151 nan 8.210 nan 0.000 0.478 71 P HA -0.095 nan 4.420 nan 0.000 0.266 71 P C -1.111 176.355 177.300 0.277 0.000 1.195 71 P CA 0.099 63.330 63.100 0.217 0.000 0.768 71 P CB 0.334 32.125 31.700 0.152 0.000 0.838 72 W N 4.469 125.808 121.300 0.066 0.000 2.411 72 W HA 0.329 4.147 4.660 -1.403 0.000 0.317 72 W C -0.567 175.980 176.519 0.046 0.000 1.030 72 W CA -0.770 56.609 57.345 0.057 0.000 1.239 72 W CB 0.506 29.995 29.460 0.048 0.000 1.304 72 W HN 0.199 nan 8.180 nan 0.000 0.437 73 N N 7.489 125.921 118.700 -0.447 0.000 2.420 73 N HA 0.129 4.037 4.740 -1.388 0.000 0.262 73 N C -1.680 173.079 175.510 -1.252 0.000 1.144 73 N CA -1.519 51.177 53.050 -0.589 0.000 0.952 73 N CB 1.725 40.048 38.487 -0.274 0.000 1.081 73 N HN 0.210 nan 8.380 nan 0.000 0.480 74 P HA -0.012 nan 4.420 nan 0.000 0.222 74 P C -0.232 176.692 177.300 -0.626 0.000 1.147 74 P CA 1.037 63.256 63.100 -1.469 0.000 0.790 74 P CB 0.353 31.619 31.700 -0.722 0.000 0.780 75 D N -1.772 118.394 120.400 -0.391 0.000 2.395 75 D HA 0.107 3.915 4.640 -1.388 0.000 0.226 75 D C 1.439 177.688 176.300 -0.085 0.000 1.146 75 D CA 0.154 54.059 54.000 -0.158 0.000 0.830 75 D CB -0.196 40.538 40.800 -0.109 0.000 0.958 75 D HN 0.005 nan 8.370 nan 0.000 0.501 76 S N 0.924 116.555 115.700 -0.115 0.000 2.372 76 S HA -0.253 3.385 4.470 -1.388 0.000 0.227 76 S C 1.864 176.537 174.600 0.121 0.000 1.044 76 S CA 1.481 59.701 58.200 0.034 0.000 1.050 76 S CB 0.117 63.416 63.200 0.164 0.000 0.901 76 S HN 0.255 nan 8.310 nan 0.000 0.447 77 E N 1.214 121.506 120.200 0.153 0.000 2.046 77 E HA -0.031 3.486 4.350 -1.388 0.000 0.190 77 E C 2.011 178.714 176.600 0.172 0.000 0.982 77 E CA 1.302 57.811 56.400 0.183 0.000 0.800 77 E CB -0.225 29.570 29.700 0.159 0.000 0.756 77 E HN 0.400 nan 8.360 nan 0.000 0.449 78 K N -0.167 120.302 120.400 0.114 0.000 2.097 78 K HA -0.084 3.403 4.320 -1.388 0.000 0.205 78 K C 2.213 178.863 176.600 0.084 0.000 1.050 78 K CA 0.972 57.314 56.287 0.092 0.000 0.938 78 K CB -0.146 32.387 32.500 0.055 0.000 0.718 78 K HN 0.149 nan 8.250 nan 0.000 0.442 79 L N 0.450 121.714 121.223 0.067 0.000 1.989 79 L HA -0.216 3.291 4.340 -1.388 0.000 0.211 79 L C 2.615 179.537 176.870 0.087 0.000 1.071 79 L CA 1.464 56.337 54.840 0.054 0.000 0.749 79 L CB -0.592 41.484 42.059 0.028 0.000 0.890 79 L HN 0.265 nan 8.230 nan 0.000 0.431 80 A N -0.159 122.741 122.820 0.133 0.000 1.865 80 A HA -0.266 3.221 4.320 -1.388 0.000 0.217 80 A C 2.205 179.958 177.584 0.281 0.000 1.191 80 A CA 2.059 54.217 52.037 0.201 0.000 0.623 80 A CB -0.878 18.245 19.000 0.206 0.000 0.826 80 A HN 0.328 nan 8.150 nan 0.000 0.444 81 L N 0.171 121.570 121.223 0.293 0.000 1.994 81 L HA -0.186 3.322 4.340 -1.388 0.000 0.208 81 L C 1.735 178.622 176.870 0.029 0.000 1.071 81 L CA 2.637 57.574 54.840 0.162 0.000 0.745 81 L CB -0.776 41.394 42.059 0.185 0.000 0.892 81 L HN 0.377 nan 8.230 nan 0.000 0.431 82 D N -0.146 120.285 120.400 0.051 0.000 2.158 82 D HA -0.200 3.608 4.640 -1.388 0.000 0.197 82 D C 2.178 178.487 176.300 0.015 0.000 0.995 82 D CA 1.539 55.553 54.000 0.023 0.000 0.846 82 D CB -0.270 40.545 40.800 0.025 0.000 0.941 82 D HN 0.524 nan 8.370 nan 0.000 0.456 83 A N 0.511 123.350 122.820 0.031 0.000 1.873 83 A HA -0.122 3.365 4.320 -1.388 0.000 0.215 83 A C 2.438 180.033 177.584 0.019 0.000 1.186 83 A CA 1.248 53.302 52.037 0.029 0.000 0.616 83 A CB -0.849 18.178 19.000 0.044 0.000 0.823 83 A HN 0.190 nan 8.150 nan 0.000 0.442 84 V N -0.094 119.809 119.914 -0.019 0.000 2.515 84 V HA -0.206 3.082 4.120 -1.388 0.000 0.250 84 V C 2.342 178.451 176.094 0.024 0.000 1.058 84 V CA 2.448 64.715 62.300 -0.055 0.000 1.064 84 V CB -0.502 31.102 31.823 -0.365 0.000 0.675 84 V HN 0.603 nan 8.190 nan 0.000 0.461 85 K N -0.216 120.168 120.400 -0.026 0.000 2.057 85 K HA -0.180 3.308 4.320 -1.388 0.000 0.206 85 K C 2.251 178.849 176.600 -0.004 0.000 1.050 85 K CA 1.491 57.774 56.287 -0.007 0.000 0.935 85 K CB -0.235 32.252 32.500 -0.022 0.000 0.715 85 K HN 0.349 nan 8.250 nan 0.000 0.439 86 K N 0.985 121.385 120.400 0.001 0.000 2.152 86 K HA -0.126 3.362 4.320 -1.388 0.000 0.206 86 K C 1.710 178.309 176.600 -0.003 0.000 1.048 86 K CA 1.359 57.644 56.287 -0.003 0.000 0.933 86 K CB -0.052 32.450 32.500 0.003 0.000 0.721 86 K HN 0.121 nan 8.250 nan 0.000 0.447 87 A N -0.174 122.667 122.820 0.034 0.000 2.235 87 A HA 0.181 3.668 4.320 -1.388 0.000 0.208 87 A C 1.230 178.784 177.584 -0.050 0.000 1.172 87 A CA 0.889 52.962 52.037 0.060 0.000 0.786 87 A CB -0.263 18.840 19.000 0.172 0.000 0.804 87 A HN 0.578 nan 8.150 nan 0.000 0.479 88 G N -3.110 105.613 108.800 -0.128 0.000 2.163 88 G HA2 -0.226 2.901 3.960 -1.388 0.000 0.213 88 G HA3 -0.226 2.901 3.960 -1.388 0.000 0.213 88 G C -0.283 174.336 174.900 -0.468 0.000 0.991 88 G CA -0.154 44.747 45.100 -0.332 0.000 0.653 88 G HN 0.416 nan 8.290 nan 0.000 0.518 89 W N 0.644 121.904 121.300 -0.067 0.000 2.573 89 W HA 0.680 4.508 4.660 -1.386 0.000 0.326 89 W C 0.099 176.567 176.519 -0.084 0.000 1.049 89 W CA -0.629 56.666 57.345 -0.083 0.000 1.220 89 W CB 2.003 31.369 29.460 -0.157 0.000 1.373 89 W HN 0.058 nan 8.180 nan 0.000 0.507 90 T N 4.112 118.824 114.554 0.262 0.000 2.824 90 T HA 0.347 3.865 4.350 -1.388 0.000 0.282 90 T C -2.602 172.187 174.700 0.149 0.000 0.993 90 T CA -1.711 60.478 62.100 0.149 0.000 0.967 90 T CB 1.581 70.534 68.868 0.143 0.000 0.960 90 T HN -0.096 nan 8.240 nan 0.000 0.441 91 P HA 0.159 nan 4.420 nan 0.000 0.264 91 P C -0.553 176.819 177.300 0.119 0.000 1.183 91 P CA -0.081 63.074 63.100 0.090 0.000 0.763 91 P CB 0.251 32.014 31.700 0.104 0.000 0.807 92 I N 2.249 122.890 120.570 0.118 0.000 2.365 92 I HA 0.148 3.485 4.170 -1.388 0.000 0.291 92 I C 1.258 177.439 176.117 0.107 0.000 1.004 92 I CA -0.388 60.952 61.300 0.068 0.000 1.311 92 I CB 0.894 38.832 38.000 -0.103 0.000 1.401 92 I HN 0.335 nan 8.210 nan 0.000 0.491 93 T N 2.679 117.273 114.554 0.066 0.000 2.898 93 T HA 0.268 3.786 4.350 -1.388 0.000 0.301 93 T C 1.318 176.114 174.700 0.160 0.000 1.049 93 T CA -0.210 61.935 62.100 0.076 0.000 1.095 93 T CB 1.518 70.412 68.868 0.045 0.000 0.976 93 T HN 0.695 nan 8.240 nan 0.000 0.539 94 A N 1.998 124.934 122.820 0.193 0.000 1.927 94 A HA -0.142 3.345 4.320 -1.388 0.000 0.220 94 A C 2.725 180.441 177.584 0.220 0.000 1.185 94 A CA 2.562 54.809 52.037 0.350 0.000 0.639 94 A CB -1.553 17.619 19.000 0.285 0.000 0.820 94 A HN 0.989 nan 8.150 nan 0.000 0.451 95 S N -1.065 114.711 115.700 0.126 0.000 2.368 95 S HA -0.227 3.410 4.470 -1.388 0.000 0.225 95 S C 2.156 176.808 174.600 0.086 0.000 1.030 95 S CA 1.650 59.907 58.200 0.095 0.000 0.999 95 S CB -0.402 62.839 63.200 0.068 0.000 0.844 95 S HN 0.684 nan 8.310 nan 0.000 0.459 96 Q N 0.138 119.972 119.800 0.057 0.000 2.135 96 Q HA -0.030 3.478 4.340 -1.388 0.000 0.204 96 Q C 2.105 178.080 176.000 -0.042 0.000 0.981 96 Q CA 1.406 57.231 55.803 0.038 0.000 0.856 96 Q CB -0.256 28.466 28.738 -0.025 0.000 0.902 96 Q HN 0.523 nan 8.270 nan 0.000 0.425 97 L N -0.855 120.287 121.223 -0.136 0.000 2.395 97 L HA 0.031 3.538 4.340 -1.388 0.000 0.218 97 L C 1.166 178.087 176.870 0.086 0.000 1.130 97 L CA 0.542 55.304 54.840 -0.130 0.000 0.826 97 L CB -0.373 41.593 42.059 -0.156 0.000 0.941 97 L HN 0.459 nan 8.230 nan 0.000 0.451 98 G N -0.174 108.702 108.800 0.126 0.000 2.198 98 G HA2 -0.354 2.773 3.960 -1.388 0.000 0.260 98 G HA3 -0.354 2.773 3.960 -1.388 0.000 0.260 98 G C -0.067 174.942 174.900 0.183 0.000 1.025 98 G CA 0.101 45.282 45.100 0.135 0.000 0.769 98 G HN 0.376 nan 8.290 nan 0.000 0.507 99 Y N 0.959 121.305 120.300 0.078 0.000 2.327 99 Y HA 0.535 4.252 4.550 -1.388 0.000 0.336 99 Y C 0.808 176.779 175.900 0.118 0.000 1.035 99 Y CA -0.722 57.444 58.100 0.111 0.000 1.165 99 Y CB 1.198 39.762 38.460 0.173 0.000 1.181 99 Y HN 0.055 nan 8.280 nan 0.000 0.494 100 D N 3.171 123.332 120.400 -0.400 0.000 2.354 100 D HA 0.108 3.915 4.640 -1.388 0.000 0.209 100 D C 1.025 177.101 176.300 -0.374 0.000 1.015 100 D CA 0.592 54.430 54.000 -0.270 0.000 0.867 100 D CB 0.191 40.893 40.800 -0.164 0.000 0.933 100 D HN 0.787 nan 8.370 nan 0.000 0.520 101 G N 0.175 108.457 108.800 -0.864 0.000 2.508 101 G HA2 0.165 3.292 3.960 -1.388 0.000 0.278 101 G HA3 0.165 3.292 3.960 -1.388 0.000 0.278 101 G C -0.096 174.769 174.900 -0.059 0.000 1.389 101 G CA -0.491 44.312 45.100 -0.496 0.000 1.050 101 G HN -0.026 nan 8.290 nan 0.000 0.522 102 K N -0.179 120.321 120.400 0.167 0.000 2.234 102 K HA 0.454 3.942 4.320 -1.388 0.000 0.282 102 K C -0.316 176.458 176.600 0.290 0.000 1.039 102 K CA -0.240 56.155 56.287 0.180 0.000 0.928 102 K CB 0.601 33.166 32.500 0.109 0.000 1.039 102 K HN 0.593 nan 8.250 nan 0.000 0.470 103 T N 0.424 115.039 114.554 0.101 0.000 2.893 103 T HA 0.292 3.810 4.350 -1.388 0.000 0.291 103 T C -0.330 174.416 174.700 0.077 0.000 1.028 103 T CA -1.097 61.003 62.100 0.000 0.000 0.995 103 T CB 1.438 70.090 68.868 -0.360 0.000 1.051 103 T HN 0.642 nan 8.240 nan 0.000 0.470 104 D N 1.766 122.292 120.400 0.209 0.000 2.425 104 D HA 0.444 4.252 4.640 -1.388 0.000 0.274 104 D C 1.618 177.932 176.300 0.023 0.000 1.242 104 D CA -0.401 53.661 54.000 0.104 0.000 1.060 104 D CB -0.139 40.768 40.800 0.178 0.000 1.112 104 D HN 0.638 nan 8.370 nan 0.000 0.561 105 A N -1.012 121.814 122.820 0.010 0.000 2.119 105 A HA -0.057 3.430 4.320 -1.388 0.000 0.217 105 A C 2.083 179.668 177.584 0.001 0.000 1.153 105 A CA 0.777 52.813 52.037 -0.000 0.000 0.692 105 A CB -0.574 18.426 19.000 -0.000 0.000 0.799 105 A HN 0.468 nan 8.150 nan 0.000 0.458 106 R N -1.541 118.950 120.500 -0.015 0.000 2.275 106 R HA 0.197 3.704 4.340 -1.388 0.000 0.199 106 R C 1.315 177.637 176.300 0.038 0.000 0.989 106 R CA 0.644 56.743 56.100 -0.002 0.000 1.016 106 R CB 0.011 30.220 30.300 -0.152 0.000 0.918 106 R HN 0.642 nan 8.270 nan 0.000 0.473 107 G N 0.459 109.243 108.800 -0.028 0.000 2.141 107 G HA2 -0.254 2.873 3.960 -1.388 0.000 0.242 107 G HA3 -0.254 2.873 3.960 -1.388 0.000 0.242 107 G C 0.130 174.888 174.900 -0.236 0.000 0.982 107 G CA 0.159 45.189 45.100 -0.117 0.000 0.662 107 G HN 0.285 nan 8.290 nan 0.000 0.527 108 T N 1.123 115.590 114.554 -0.146 0.000 2.901 108 T HA 0.500 4.017 4.350 -1.388 0.000 0.301 108 T C 0.344 174.828 174.700 -0.360 0.000 1.012 108 T CA 0.330 62.306 62.100 -0.207 0.000 1.135 108 T CB 0.537 69.265 68.868 -0.234 0.000 0.936 108 T HN 0.221 nan 8.240 nan 0.000 0.539 109 F N 1.894 121.684 119.950 -0.266 0.000 2.377 109 F HA 0.623 4.317 4.527 -1.389 0.000 0.328 109 F C 0.073 175.715 175.800 -0.264 0.000 1.094 109 F CA -0.968 56.957 58.000 -0.125 0.000 1.093 109 F CB 0.859 39.728 39.000 -0.218 0.000 1.214 109 F HN 0.432 nan 8.300 nan 0.000 0.518 110 F N 0.043 120.298 119.950 0.508 0.000 2.546 110 F HA 0.595 4.288 4.527 -1.389 0.000 0.320 110 F C 0.738 176.813 175.800 0.458 0.000 1.076 110 F CA -1.205 57.070 58.000 0.459 0.000 0.928 110 F CB 1.308 40.456 39.000 0.247 0.000 1.189 110 F HN 0.575 nan 8.300 nan 0.000 0.465 111 G N 0.867 109.809 108.800 0.236 0.000 2.647 111 G HA2 0.149 3.276 3.960 -1.388 0.000 0.234 111 G HA3 0.149 3.276 3.960 -1.388 0.000 0.234 111 G C 0.184 175.076 174.900 -0.013 0.000 1.252 111 G CA -0.143 44.758 45.100 -0.330 0.000 0.846 111 G HN 0.877 nan 8.290 nan 0.000 0.589 112 E N -0.364 119.776 120.200 -0.100 0.000 2.465 112 E HA 0.104 3.622 4.350 -1.388 0.000 0.209 112 E C 0.510 177.129 176.600 0.032 0.000 0.951 112 E CA 0.331 56.751 56.400 0.033 0.000 0.997 112 E CB 0.560 30.295 29.700 0.057 0.000 1.025 112 E HN 0.385 nan 8.360 nan 0.000 0.500 113 K N 0.434 120.849 120.400 0.026 0.000 2.395 113 K HA 0.595 4.082 4.320 -1.388 0.000 0.247 113 K C -0.851 175.857 176.600 0.180 0.000 0.973 113 K CA -0.880 55.460 56.287 0.088 0.000 0.828 113 K CB 1.998 34.524 32.500 0.043 0.000 1.272 113 K HN -0.043 nan 8.250 nan 0.000 0.439 114 A N 0.641 123.537 122.820 0.127 0.000 2.567 114 A HA 0.345 3.833 4.320 -1.388 0.000 0.240 114 A C 1.159 178.776 177.584 0.055 0.000 1.053 114 A CA 1.400 53.485 52.037 0.080 0.000 0.755 114 A CB -1.000 18.032 19.000 0.052 0.000 0.978 114 A HN 0.964 nan 8.150 nan 0.000 0.507 115 G N 0.915 109.669 108.800 -0.077 0.000 2.194 115 G HA2 -0.272 2.855 3.960 -1.388 0.000 0.236 115 G HA3 -0.272 2.855 3.960 -1.388 0.000 0.236 115 G C 0.228 174.775 174.900 -0.588 0.000 0.987 115 G CA 0.874 45.773 45.100 -0.334 0.000 0.635 115 G HN 1.065 nan 8.290 nan 0.000 0.520 116 Y N 0.271 120.548 120.300 -0.038 0.000 2.672 116 Y HA 0.262 3.979 4.550 -1.388 0.000 0.252 116 Y C 2.336 178.191 175.900 -0.075 0.000 1.132 116 Y CA 0.696 58.718 58.100 -0.129 0.000 1.228 116 Y CB 0.257 38.522 38.460 -0.324 0.000 1.310 116 Y HN 0.330 nan 8.280 nan 0.000 0.549 117 T N -3.808 110.813 114.554 0.111 0.000 3.055 117 T HA -0.104 3.413 4.350 -1.388 0.000 0.265 117 T C 1.706 176.544 174.700 0.231 0.000 1.111 117 T CA 1.413 63.598 62.100 0.142 0.000 1.118 117 T CB -0.427 68.493 68.868 0.087 0.000 0.909 117 T HN 0.361 nan 8.240 nan 0.000 0.501 118 T N -0.529 114.152 114.554 0.211 0.000 3.065 118 T HA 0.540 4.057 4.350 -1.388 0.000 0.252 118 T C 1.003 175.904 174.700 0.334 0.000 1.099 118 T CA 0.046 62.320 62.100 0.291 0.000 1.063 118 T CB -0.396 68.590 68.868 0.197 0.000 0.948 118 T HN 0.556 nan 8.240 nan 0.000 0.506 119 A N 1.399 124.394 122.820 0.291 0.000 2.540 119 A HA 0.446 3.933 4.320 -1.388 0.000 0.239 119 A C 0.126 177.958 177.584 0.413 0.000 1.061 119 A CA -0.106 52.137 52.037 0.343 0.000 0.758 119 A CB 0.051 19.198 19.000 0.246 0.000 0.991 119 A HN 0.650 nan 8.150 nan 0.000 0.502 120 Q N -0.088 119.918 119.800 0.344 0.000 2.413 120 Q HA 0.705 4.213 4.340 -1.388 0.000 0.276 120 Q C -1.339 174.668 176.000 0.011 0.000 1.099 120 Q CA -0.728 55.096 55.803 0.036 0.000 0.814 120 Q CB 2.690 31.308 28.738 -0.200 0.000 1.379 120 Q HN 0.675 nan 8.270 nan 0.000 0.436 121 V N 1.207 120.968 119.914 -0.254 0.000 2.891 121 V HA 0.335 3.623 4.120 -1.388 0.000 0.304 121 V C -1.660 174.264 176.094 -0.283 0.000 1.171 121 V CA -0.581 61.456 62.300 -0.439 0.000 0.943 121 V CB 2.271 33.508 31.823 -0.976 0.000 1.037 121 V HN 0.711 nan 8.190 nan 0.000 0.427 122 E N 6.066 126.092 120.200 -0.289 0.000 2.216 122 E HA 0.498 4.015 4.350 -1.388 0.000 0.279 122 E C -0.969 175.476 176.600 -0.258 0.000 0.997 122 E CA -0.558 55.772 56.400 -0.116 0.000 0.817 122 E CB 2.188 31.878 29.700 -0.017 0.000 1.096 122 E HN 0.477 nan 8.360 nan 0.000 0.393 123 I N 4.050 124.545 120.570 -0.125 0.000 2.382 123 I HA 0.342 3.679 4.170 -1.388 0.000 0.286 123 I C -0.330 175.739 176.117 -0.080 0.000 1.002 123 I CA -0.590 60.557 61.300 -0.254 0.000 1.135 123 I CB 0.514 38.223 38.000 -0.485 0.000 1.288 123 I HN 0.304 nan 8.210 nan 0.000 0.448 124 L N 5.036 126.199 121.223 -0.101 0.000 2.354 124 L HA 0.878 4.385 4.340 -1.388 0.000 0.264 124 L C 0.446 177.467 176.870 0.251 0.000 1.008 124 L CA -0.431 54.447 54.840 0.062 0.000 0.819 124 L CB 2.243 44.286 42.059 -0.026 0.000 1.339 124 L HN 0.628 nan 8.230 nan 0.000 0.420 125 G N 0.465 109.465 108.800 0.335 0.000 2.495 125 G HA2 0.636 3.764 3.960 -1.388 0.000 0.318 125 G HA3 0.636 3.764 3.960 -1.388 0.000 0.318 125 G C -1.610 173.227 174.900 -0.105 0.000 1.257 125 G CA -0.493 44.673 45.100 0.111 0.000 0.962 125 G HN 0.496 nan 8.290 nan 0.000 0.483 126 K N 0.866 120.930 120.400 -0.561 0.000 2.221 126 K HA 0.638 4.125 4.320 -1.388 0.000 0.258 126 K C -1.507 174.652 176.600 -0.734 0.000 0.944 126 K CA -0.735 55.100 56.287 -0.755 0.000 0.823 126 K CB 1.248 33.016 32.500 -1.220 0.000 1.113 126 K HN 0.505 nan 8.250 nan 0.000 0.431 127 Y N 1.430 121.607 120.300 -0.204 0.000 2.499 127 Y HA 0.182 3.899 4.550 -1.388 0.000 0.347 127 Y C -0.077 175.749 175.900 -0.124 0.000 0.987 127 Y CA -1.031 56.999 58.100 -0.115 0.000 1.044 127 Y CB 1.428 39.836 38.460 -0.086 0.000 1.245 127 Y HN 0.753 nan 8.280 nan 0.000 0.461 128 D N 0.468 120.901 120.400 0.055 0.000 2.398 128 D HA 0.282 4.089 4.640 -1.388 0.000 0.247 128 D C 1.105 177.391 176.300 -0.024 0.000 1.227 128 D CA -0.171 53.830 54.000 0.002 0.000 0.980 128 D CB 0.654 41.471 40.800 0.027 0.000 1.106 128 D HN 0.606 nan 8.370 nan 0.000 0.493 129 A N -0.509 122.288 122.820 -0.039 0.000 2.084 129 A HA -0.212 3.275 4.320 -1.388 0.000 0.221 129 A C 1.781 179.308 177.584 -0.095 0.000 1.161 129 A CA 1.236 53.239 52.037 -0.056 0.000 0.653 129 A CB -0.610 18.366 19.000 -0.041 0.000 0.802 129 A HN 0.475 nan 8.150 nan 0.000 0.457 130 Q N -1.529 118.181 119.800 -0.150 0.000 2.403 130 Q HA 0.184 3.691 4.340 -1.388 0.000 0.203 130 Q C 1.141 176.876 176.000 -0.442 0.000 0.932 130 Q CA 0.734 56.360 55.803 -0.295 0.000 0.945 130 Q CB 0.012 28.528 28.738 -0.370 0.000 1.045 130 Q HN 1.012 nan 8.270 nan 0.000 0.511 131 G N 1.216 109.850 108.800 -0.276 0.000 2.137 131 G HA2 -0.245 2.882 3.960 -1.388 0.000 0.237 131 G HA3 -0.245 2.882 3.960 -1.388 0.000 0.237 131 G C -0.458 174.409 174.900 -0.055 0.000 1.002 131 G CA -0.002 44.993 45.100 -0.176 0.000 0.702 131 G HN 0.522 nan 8.290 nan 0.000 0.515 132 H N -0.991 118.165 119.070 0.143 0.000 2.527 132 H HA 0.522 4.245 4.556 -1.388 0.000 0.321 132 H C 0.555 175.978 175.328 0.157 0.000 1.087 132 H CA -1.004 55.122 56.048 0.131 0.000 1.337 132 H CB 1.661 31.446 29.762 0.039 0.000 1.440 132 H HN 0.240 nan 8.280 nan 0.000 0.490 133 L N 2.958 124.315 121.223 0.223 0.000 2.499 133 L HA -0.008 3.499 4.340 -1.388 0.000 0.273 133 L C 1.077 177.868 176.870 -0.132 0.000 1.195 133 L CA 0.881 55.621 54.840 -0.165 0.000 0.882 133 L CB 0.494 42.456 42.059 -0.162 0.000 1.133 133 L HN 0.978 nan 8.230 nan 0.000 0.483 134 T N 0.219 114.643 114.554 -0.217 0.000 2.954 134 T HA 0.289 3.806 4.350 -1.388 0.000 0.252 134 T C 0.403 175.031 174.700 -0.119 0.000 0.983 134 T CA 0.014 62.038 62.100 -0.127 0.000 0.941 134 T CB 0.041 68.845 68.868 -0.108 0.000 1.141 134 T HN 0.601 nan 8.240 nan 0.000 0.500 135 E N -0.055 120.045 120.200 -0.166 0.000 2.366 135 E HA 0.630 4.147 4.350 -1.388 0.000 0.278 135 E C -1.868 174.775 176.600 0.071 0.000 0.923 135 E CA -0.984 55.392 56.400 -0.040 0.000 0.761 135 E CB 2.271 31.931 29.700 -0.067 0.000 1.231 135 E HN 0.305 nan 8.360 nan 0.000 0.443 136 I N 2.076 122.746 120.570 0.166 0.000 2.433 136 I HA 0.494 3.832 4.170 -1.388 0.000 0.292 136 I C 0.166 176.338 176.117 0.090 0.000 1.001 136 I CA -0.670 60.742 61.300 0.188 0.000 1.119 136 I CB 2.099 40.189 38.000 0.150 0.000 1.289 136 I HN 0.544 nan 8.210 nan 0.000 0.438 137 G N 6.801 115.541 108.800 -0.100 0.000 2.416 137 G HA2 0.744 3.871 3.960 -1.388 0.000 0.324 137 G HA3 0.744 3.871 3.960 -1.388 0.000 0.324 137 G C -0.817 173.775 174.900 -0.514 0.000 1.194 137 G CA -0.376 44.387 45.100 -0.562 0.000 0.922 137 G HN 0.488 nan 8.290 nan 0.000 0.467 138 I N 2.191 122.422 120.570 -0.564 0.000 2.420 138 I HA 0.423 3.760 4.170 -1.388 0.000 0.282 138 I C 0.276 175.928 176.117 -0.775 0.000 1.019 138 I CA -0.741 60.129 61.300 -0.716 0.000 1.130 138 I CB 1.962 39.474 38.000 -0.815 0.000 1.262 138 I HN 0.523 nan 8.210 nan 0.000 0.454 139 A N 7.086 129.491 122.820 -0.692 0.000 2.273 139 A HA 0.651 4.139 4.320 -1.388 0.000 0.320 139 A C -0.717 176.549 177.584 -0.530 0.000 1.358 139 A CA -0.324 51.395 52.037 -0.531 0.000 0.910 139 A CB -0.032 18.735 19.000 -0.389 0.000 1.159 139 A HN 0.489 nan 8.150 nan 0.000 0.526 140 F N 1.515 121.311 119.950 -0.258 0.000 2.456 140 F HA 0.461 4.154 4.527 -1.390 0.000 0.358 140 F C 1.044 176.723 175.800 -0.202 0.000 1.095 140 F CA 0.205 58.081 58.000 -0.207 0.000 1.216 140 F CB 1.070 39.993 39.000 -0.128 0.000 1.125 140 F HN 0.606 nan 8.300 nan 0.000 0.549 141 R N 2.604 123.124 120.500 0.034 0.000 2.312 141 R HA 0.499 4.007 4.340 -1.388 0.000 0.310 141 R C -0.270 176.085 176.300 0.093 0.000 1.064 141 R CA -0.378 55.673 56.100 -0.081 0.000 0.983 141 R CB 0.374 30.549 30.300 -0.208 0.000 1.139 141 R HN 0.709 nan 8.270 nan 0.000 0.536 142 G N 1.726 110.580 108.800 0.089 0.000 2.503 142 G HA2 0.415 3.542 3.960 -1.388 0.000 0.257 142 G HA3 0.415 3.542 3.960 -1.388 0.000 0.257 142 G C -0.558 174.459 174.900 0.195 0.000 1.214 142 G CA 0.093 45.279 45.100 0.142 0.000 0.839 142 G HN 0.700 nan 8.290 nan 0.000 0.559 143 T N -2.613 112.117 114.554 0.293 0.000 2.887 143 T HA 0.540 4.057 4.350 -1.388 0.000 0.292 143 T C 1.197 176.086 174.700 0.315 0.000 1.087 143 T CA 0.149 62.412 62.100 0.271 0.000 1.009 143 T CB 1.600 70.615 68.868 0.245 0.000 1.203 143 T HN 0.710 nan 8.240 nan 0.000 0.518 144 S N -0.455 115.401 115.700 0.260 0.000 2.478 144 S HA 0.564 4.202 4.470 -1.388 0.000 0.222 144 S C 1.394 176.112 174.600 0.197 0.000 1.008 144 S CA 0.363 58.722 58.200 0.265 0.000 0.928 144 S CB -0.681 62.631 63.200 0.187 0.000 0.781 144 S HN 1.922 nan 8.310 nan 0.000 0.518 145 G N 1.367 110.259 108.800 0.153 0.000 2.255 145 G HA2 0.118 3.245 3.960 -1.388 0.000 0.216 145 G HA3 0.118 3.245 3.960 -1.388 0.000 0.216 145 G C -3.404 171.533 174.900 0.061 0.000 1.307 145 G CA -0.739 44.402 45.100 0.070 0.000 1.162 145 G HN 0.256 nan 8.290 nan 0.000 0.494 146 P HA 0.418 nan 4.420 nan 0.000 0.282 146 P C 0.899 178.213 177.300 0.023 0.000 1.274 146 P CA -0.326 62.787 63.100 0.023 0.000 0.770 146 P CB 0.891 32.592 31.700 0.002 0.000 0.867 147 R N 2.286 122.806 120.500 0.032 0.000 2.165 147 R HA -0.252 3.256 4.340 -1.388 0.000 0.254 147 R C 1.192 177.497 176.300 0.009 0.000 1.153 147 R CA 1.813 57.928 56.100 0.026 0.000 0.971 147 R CB -0.523 29.793 30.300 0.027 0.000 0.878 147 R HN 0.525 nan 8.270 nan 0.000 0.449 148 E N 0.180 120.381 120.200 0.002 0.000 2.472 148 E HA -0.084 3.433 4.350 -1.388 0.000 0.200 148 E C 0.779 177.372 176.600 -0.011 0.000 1.046 148 E CA 0.635 57.031 56.400 -0.006 0.000 0.871 148 E CB -0.011 29.684 29.700 -0.008 0.000 0.806 148 E HN 0.362 nan 8.360 nan 0.000 0.533 149 N N -0.212 118.482 118.700 -0.010 0.000 2.336 149 N HA 0.037 3.944 4.740 -1.388 0.000 0.189 149 N C 0.608 176.106 175.510 -0.019 0.000 1.113 149 N CA 0.330 53.370 53.050 -0.018 0.000 0.858 149 N CB 0.368 38.842 38.487 -0.022 0.000 0.970 149 N HN 0.226 nan 8.380 nan 0.000 0.471 150 L N 0.595 121.810 121.223 -0.014 0.000 2.628 150 L HA 0.328 3.836 4.340 -1.388 0.000 0.229 150 L C 1.060 177.912 176.870 -0.029 0.000 1.137 150 L CA 0.274 55.103 54.840 -0.020 0.000 0.909 150 L CB -0.056 41.997 42.059 -0.011 0.000 1.137 150 L HN 0.112 nan 8.230 nan 0.000 0.470 151 I N -5.455 115.100 120.570 -0.025 0.000 4.050 151 I HA 0.127 3.464 4.170 -1.388 0.000 0.328 151 I C 0.948 177.052 176.117 -0.023 0.000 1.439 151 I CA -0.127 61.158 61.300 -0.025 0.000 1.099 151 I CB 0.062 38.049 38.000 -0.021 0.000 1.469 151 I HN -0.021 nan 8.210 nan 0.000 0.572 152 L N 0.892 122.101 121.223 -0.024 0.000 2.270 152 L HA 0.263 3.771 4.340 -1.388 0.000 0.210 152 L C 0.640 177.496 176.870 -0.023 0.000 1.104 152 L CA 1.060 55.886 54.840 -0.023 0.000 0.804 152 L CB -0.177 41.867 42.059 -0.025 0.000 0.937 152 L HN 0.398 nan 8.230 nan 0.000 0.450 153 D N -1.501 118.884 120.400 -0.026 0.000 2.784 153 D HA 0.226 4.033 4.640 -1.388 0.000 0.256 153 D C -0.269 176.016 176.300 -0.024 0.000 1.129 153 D CA -0.283 53.703 54.000 -0.024 0.000 1.102 153 D CB 0.945 41.728 40.800 -0.027 0.000 1.330 153 D HN -0.105 nan 8.370 nan 0.000 0.626 154 S N -0.184 115.503 115.700 -0.021 0.000 2.593 154 S HA 0.074 3.711 4.470 -1.388 0.000 0.269 154 S C 1.167 175.748 174.600 -0.032 0.000 1.334 154 S CA -0.569 57.617 58.200 -0.022 0.000 1.015 154 S CB 1.011 64.203 63.200 -0.013 0.000 0.912 154 S HN 0.482 nan 8.310 nan 0.000 0.541 155 I N 2.689 123.233 120.570 -0.045 0.000 2.335 155 I HA 0.015 3.352 4.170 -1.388 0.000 0.251 155 I C 2.177 178.261 176.117 -0.055 0.000 1.129 155 I CA 2.038 63.294 61.300 -0.073 0.000 1.402 155 I CB -1.052 36.878 38.000 -0.116 0.000 1.069 155 I HN 0.923 nan 8.210 nan 0.000 0.424 156 G N -0.381 108.404 108.800 -0.026 0.000 2.408 156 G HA2 -0.226 2.902 3.960 -1.388 0.000 0.217 156 G HA3 -0.226 2.902 3.960 -1.388 0.000 0.217 156 G C 1.403 176.311 174.900 0.014 0.000 1.150 156 G CA 0.913 46.018 45.100 0.009 0.000 0.776 156 G HN 0.380 nan 8.290 nan 0.000 0.542 157 D N 0.407 120.804 120.400 -0.004 0.000 2.097 157 D HA -0.088 3.719 4.640 -1.388 0.000 0.197 157 D C 2.818 179.102 176.300 -0.027 0.000 0.984 157 D CA 0.783 54.774 54.000 -0.015 0.000 0.826 157 D CB -0.466 40.320 40.800 -0.023 0.000 0.973 157 D HN 0.170 nan 8.370 nan 0.000 0.460 158 V N 1.826 121.721 119.914 -0.031 0.000 2.231 158 V HA -0.270 3.017 4.120 -1.388 0.000 0.248 158 V C 2.616 178.694 176.094 -0.027 0.000 1.054 158 V CA 1.429 63.707 62.300 -0.038 0.000 1.015 158 V CB -0.488 31.310 31.823 -0.042 0.000 0.638 158 V HN 0.181 nan 8.190 nan 0.000 0.444 159 I N 0.228 120.801 120.570 0.005 0.000 2.127 159 I HA -0.288 3.050 4.170 -1.388 0.000 0.241 159 I C 2.422 178.572 176.117 0.055 0.000 1.075 159 I CA 2.358 63.699 61.300 0.068 0.000 1.334 159 I CB -0.644 37.445 38.000 0.149 0.000 1.040 159 I HN 0.414 nan 8.210 nan 0.000 0.405 160 N N 0.958 119.692 118.700 0.056 0.000 2.104 160 N HA -0.221 3.686 4.740 -1.388 0.000 0.190 160 N C 1.479 176.967 175.510 -0.036 0.000 1.024 160 N CA 1.729 54.824 53.050 0.076 0.000 0.853 160 N CB -0.008 38.519 38.487 0.066 0.000 1.008 160 N HN 0.206 nan 8.380 nan 0.000 0.424 161 D N 0.139 120.485 120.400 -0.090 0.000 2.117 161 D HA -0.112 3.696 4.640 -1.388 0.000 0.198 161 D C 2.010 178.175 176.300 -0.225 0.000 0.982 161 D CA 0.496 54.403 54.000 -0.155 0.000 0.828 161 D CB -0.360 40.365 40.800 -0.125 0.000 0.967 161 D HN 0.295 nan 8.370 nan 0.000 0.464 162 L N 0.410 121.492 121.223 -0.234 0.000 1.971 162 L HA -0.209 3.299 4.340 -1.388 0.000 0.215 162 L C 2.567 178.956 176.870 -0.801 0.000 1.072 162 L CA 1.116 55.687 54.840 -0.447 0.000 0.758 162 L CB -0.481 41.409 42.059 -0.282 0.000 0.889 162 L HN 0.103 nan 8.230 nan 0.000 0.433 163 L N -0.646 120.319 121.223 -0.430 0.000 2.042 163 L HA -0.212 3.295 4.340 -1.388 0.000 0.210 163 L C 2.762 179.606 176.870 -0.043 0.000 1.076 163 L CA 1.245 55.950 54.840 -0.226 0.000 0.749 163 L CB -0.725 41.439 42.059 0.175 0.000 0.893 163 L HN 0.274 nan 8.230 nan 0.000 0.432 164 A N -0.202 122.555 122.820 -0.106 0.000 2.015 164 A HA -0.027 3.460 4.320 -1.388 0.000 0.219 164 A C 2.398 179.891 177.584 -0.151 0.000 1.163 164 A CA 1.446 53.353 52.037 -0.217 0.000 0.646 164 A CB -0.463 18.247 19.000 -0.483 0.000 0.806 164 A HN 0.400 nan 8.150 nan 0.000 0.448 165 A N -1.544 121.133 122.820 -0.238 0.000 2.123 165 A HA 0.284 3.771 4.320 -1.388 0.000 0.214 165 A C 1.600 179.189 177.584 0.009 0.000 1.152 165 A CA 0.537 52.460 52.037 -0.190 0.000 0.728 165 A CB -0.520 18.294 19.000 -0.310 0.000 0.814 165 A HN 0.378 nan 8.150 nan 0.000 0.464 166 F N 0.323 120.328 119.950 0.092 0.000 2.186 166 F HA 0.027 3.718 4.527 -1.392 0.000 0.299 166 F C 2.451 178.377 175.800 0.211 0.000 1.090 166 F CA 0.653 58.787 58.000 0.223 0.000 1.307 166 F CB -1.117 37.989 39.000 0.178 0.000 1.019 166 F HN 0.272 nan 8.300 nan 0.000 0.489 167 G N -0.273 108.717 108.800 0.316 0.000 2.408 167 G HA2 -0.028 3.099 3.960 -1.388 0.000 0.213 167 G HA3 -0.028 3.099 3.960 -1.388 0.000 0.213 167 G C -1.760 173.241 174.900 0.167 0.000 1.177 167 G CA 0.110 45.336 45.100 0.210 0.000 0.802 167 G HN 0.153 nan 8.290 nan 0.000 0.533 168 P HA 0.208 nan 4.420 nan 0.000 0.264 168 P C -0.164 177.214 177.300 0.129 0.000 1.193 168 P CA 0.327 63.485 63.100 0.098 0.000 0.763 168 P CB 0.454 32.185 31.700 0.052 0.000 0.810 169 K N 1.919 122.380 120.400 0.102 0.000 3.230 169 K HA -0.222 3.265 4.320 -1.388 0.000 0.285 169 K C -0.210 176.469 176.600 0.132 0.000 1.196 169 K CA 0.644 56.994 56.287 0.105 0.000 0.838 169 K CB -1.833 30.731 32.500 0.106 0.000 1.262 169 K HN 0.522 nan 8.250 nan 0.000 0.492 170 D N -2.060 118.417 120.400 0.129 0.000 2.837 170 D HA -0.253 3.555 4.640 -1.388 0.000 0.230 170 D C 0.615 177.004 176.300 0.147 0.000 1.152 170 D CA 1.452 55.518 54.000 0.110 0.000 0.736 170 D CB -1.402 39.432 40.800 0.057 0.000 1.084 170 D HN 0.567 nan 8.370 nan 0.000 0.429 171 Y N 0.602 120.981 120.300 0.131 0.000 2.053 171 Y HA -0.233 3.483 4.550 -1.389 0.000 0.277 171 Y C 2.299 178.322 175.900 0.205 0.000 1.159 171 Y CA 2.979 61.195 58.100 0.193 0.000 1.125 171 Y CB -0.508 38.095 38.460 0.239 0.000 0.969 171 Y HN 0.163 nan 8.280 nan 0.000 0.492 172 A N 0.151 123.042 122.820 0.118 0.000 1.902 172 A HA -0.196 3.291 4.320 -1.388 0.000 0.217 172 A C 2.330 179.847 177.584 -0.113 0.000 1.181 172 A CA 1.833 53.810 52.037 -0.100 0.000 0.623 172 A CB -0.793 18.151 19.000 -0.093 0.000 0.818 172 A HN 0.539 nan 8.150 nan 0.000 0.443 173 K N -0.485 119.888 120.400 -0.045 0.000 2.032 173 K HA -0.183 3.304 4.320 -1.388 0.000 0.209 173 K C 1.188 177.757 176.600 -0.052 0.000 1.048 173 K CA 1.725 57.985 56.287 -0.045 0.000 0.927 173 K CB -0.162 32.329 32.500 -0.015 0.000 0.712 173 K HN 0.416 nan 8.250 nan 0.000 0.441 174 N N -0.244 118.419 118.700 -0.062 0.000 2.422 174 N HA -0.084 3.823 4.740 -1.388 0.000 0.181 174 N C 1.133 176.560 175.510 -0.139 0.000 1.080 174 N CA 0.285 53.283 53.050 -0.086 0.000 0.893 174 N CB -0.214 38.229 38.487 -0.073 0.000 0.973 174 N HN 0.255 nan 8.380 nan 0.000 0.456 175 Y N 1.544 121.662 120.300 -0.304 0.000 2.062 175 Y HA -0.322 3.396 4.550 -1.387 0.000 0.276 175 Y C 2.071 177.780 175.900 -0.319 0.000 1.189 175 Y CA 1.734 59.618 58.100 -0.360 0.000 1.130 175 Y CB -0.280 37.959 38.460 -0.369 0.000 0.959 175 Y HN -0.138 nan 8.280 nan 0.000 0.499 176 V N -0.175 119.729 119.914 -0.016 0.000 2.427 176 V HA -0.222 3.065 4.120 -1.388 0.000 0.248 176 V C 2.549 178.701 176.094 0.096 0.000 1.051 176 V CA 1.725 64.025 62.300 0.000 0.000 1.048 176 V CB -1.388 30.387 31.823 -0.080 0.000 0.666 176 V HN 0.667 nan 8.190 nan 0.000 0.456 177 G N -0.355 108.505 108.800 0.100 0.000 2.418 177 G HA2 -0.212 2.915 3.960 -1.388 0.000 0.217 177 G HA3 -0.212 2.915 3.960 -1.388 0.000 0.217 177 G C 1.494 176.337 174.900 -0.096 0.000 1.158 177 G CA 0.665 45.823 45.100 0.096 0.000 0.771 177 G HN 0.466 nan 8.290 nan 0.000 0.545 178 E N 0.869 120.856 120.200 -0.356 0.000 2.046 178 E HA 0.003 3.521 4.350 -1.388 0.000 0.190 178 E C 2.916 179.077 176.600 -0.732 0.000 0.982 178 E CA 1.105 57.134 56.400 -0.618 0.000 0.800 178 E CB -0.699 28.366 29.700 -1.058 0.000 0.756 178 E HN 0.342 nan 8.360 nan 0.000 0.449 179 A N -0.368 121.897 122.820 -0.925 0.000 1.968 179 A HA -0.043 3.445 4.320 -1.388 0.000 0.217 179 A C 1.012 178.141 177.584 -0.759 0.000 1.169 179 A CA 1.015 52.493 52.037 -0.931 0.000 0.638 179 A CB -0.085 18.209 19.000 -1.176 0.000 0.812 179 A HN 0.205 nan 8.150 nan 0.000 0.446 180 F N -2.010 117.922 119.950 -0.029 0.000 2.875 180 F HA 0.283 3.976 4.527 -1.390 0.000 0.334 180 F C 1.815 177.686 175.800 0.118 0.000 1.228 180 F CA -0.555 57.472 58.000 0.045 0.000 1.094 180 F CB -0.312 38.718 39.000 0.049 0.000 1.239 180 F HN 0.138 nan 8.300 nan 0.000 0.509 181 G N 0.637 109.626 108.800 0.316 0.000 2.469 181 G HA2 -0.271 2.856 3.960 -1.388 0.000 0.220 181 G HA3 -0.271 2.856 3.960 -1.388 0.000 0.220 181 G C 1.638 176.823 174.900 0.474 0.000 1.136 181 G CA 1.241 46.635 45.100 0.490 0.000 0.759 181 G HN 0.272 nan 8.290 nan 0.000 0.562 182 N N -0.051 118.832 118.700 0.305 0.000 2.251 182 N HA -0.012 3.895 4.740 -1.388 0.000 0.181 182 N C 2.121 177.784 175.510 0.256 0.000 1.019 182 N CA 0.667 53.882 53.050 0.275 0.000 0.862 182 N CB -0.186 38.446 38.487 0.242 0.000 0.992 182 N HN 0.254 nan 8.380 nan 0.000 0.429 183 L N 2.044 123.402 121.223 0.225 0.000 2.012 183 L HA -0.086 3.422 4.340 -1.388 0.000 0.210 183 L C 2.051 178.824 176.870 -0.161 0.000 1.073 183 L CA 1.435 56.236 54.840 -0.065 0.000 0.748 183 L CB -0.739 41.136 42.059 -0.307 0.000 0.891 183 L HN 0.089 nan 8.230 nan 0.000 0.431 184 L N -0.351 120.771 121.223 -0.168 0.000 2.191 184 L HA -0.200 3.307 4.340 -1.388 0.000 0.212 184 L C 2.293 179.095 176.870 -0.113 0.000 1.103 184 L CA 0.825 55.449 54.840 -0.359 0.000 0.769 184 L CB -0.828 40.620 42.059 -1.019 0.000 0.908 184 L HN 0.416 nan 8.230 nan 0.000 0.438 185 N N 0.193 118.962 118.700 0.115 0.000 2.120 185 N HA -0.182 3.725 4.740 -1.388 0.000 0.188 185 N C 1.419 176.967 175.510 0.064 0.000 1.024 185 N CA 1.407 54.570 53.050 0.189 0.000 0.852 185 N CB -0.250 38.386 38.487 0.247 0.000 1.003 185 N HN 0.322 nan 8.380 nan 0.000 0.424 186 D N 0.315 120.748 120.400 0.055 0.000 2.178 186 D HA -0.059 3.748 4.640 -1.388 0.000 0.202 186 D C 2.056 178.356 176.300 -0.000 0.000 0.974 186 D CA 0.403 54.428 54.000 0.042 0.000 0.841 186 D CB -0.148 40.700 40.800 0.081 0.000 0.953 186 D HN 0.030 nan 8.370 nan 0.000 0.478 187 V N 0.813 120.692 119.914 -0.058 0.000 2.343 187 V HA -0.208 3.080 4.120 -1.388 0.000 0.247 187 V C 2.702 178.787 176.094 -0.014 0.000 1.051 187 V CA 0.968 63.264 62.300 -0.006 0.000 1.036 187 V CB -0.453 31.343 31.823 -0.045 0.000 0.654 187 V HN 0.048 nan 8.190 nan 0.000 0.451 188 V N 0.492 120.294 119.914 -0.187 0.000 2.252 188 V HA -0.324 2.964 4.120 -1.388 0.000 0.249 188 V C 2.738 178.526 176.094 -0.510 0.000 1.056 188 V CA 2.295 64.161 62.300 -0.724 0.000 1.022 188 V CB -1.288 30.109 31.823 -0.711 0.000 0.641 188 V HN 0.571 nan 8.190 nan 0.000 0.445 189 A N -0.559 122.137 122.820 -0.207 0.000 1.883 189 A HA -0.260 3.228 4.320 -1.388 0.000 0.217 189 A C 2.134 179.702 177.584 -0.026 0.000 1.186 189 A CA 2.175 54.154 52.037 -0.096 0.000 0.624 189 A CB -0.771 18.227 19.000 -0.003 0.000 0.822 189 A HN 0.543 nan 8.150 nan 0.000 0.444 190 F N 0.947 120.835 119.950 -0.104 0.000 2.134 190 F HA -0.047 3.648 4.527 -1.387 0.000 0.299 190 F C 2.486 178.256 175.800 -0.050 0.000 1.097 190 F CA 1.096 59.065 58.000 -0.052 0.000 1.264 190 F CB -0.405 38.576 39.000 -0.032 0.000 1.001 190 F HN 0.257 nan 8.300 nan 0.000 0.479 191 A N 0.533 123.317 122.820 -0.061 0.000 1.865 191 A HA -0.228 3.259 4.320 -1.388 0.000 0.217 191 A C 2.284 179.792 177.584 -0.126 0.000 1.191 191 A CA 2.052 54.039 52.037 -0.084 0.000 0.623 191 A CB -0.762 18.288 19.000 0.082 0.000 0.826 191 A HN 0.453 nan 8.150 nan 0.000 0.444 192 K N -0.450 119.864 120.400 -0.144 0.000 2.057 192 K HA -0.050 3.438 4.320 -1.388 0.000 0.207 192 K C 2.197 178.740 176.600 -0.095 0.000 1.049 192 K CA 1.096 57.334 56.287 -0.082 0.000 0.931 192 K CB -0.337 32.097 32.500 -0.110 0.000 0.714 192 K HN 0.438 nan 8.250 nan 0.000 0.440 193 A N 1.523 124.265 122.820 -0.130 0.000 2.125 193 A HA -0.124 3.364 4.320 -1.388 0.000 0.219 193 A C 1.433 178.920 177.584 -0.162 0.000 1.156 193 A CA 1.267 53.232 52.037 -0.120 0.000 0.671 193 A CB -0.207 18.734 19.000 -0.098 0.000 0.794 193 A HN 0.279 nan 8.150 nan 0.000 0.459 194 N N -1.136 117.423 118.700 -0.235 0.000 2.203 194 N HA 0.176 4.083 4.740 -1.388 0.000 0.207 194 N C 0.848 176.276 175.510 -0.136 0.000 1.130 194 N CA 0.728 53.642 53.050 -0.227 0.000 0.861 194 N CB 0.637 38.885 38.487 -0.397 0.000 1.005 194 N HN 0.549 nan 8.380 nan 0.000 0.507 195 G N 1.296 110.040 108.800 -0.094 0.000 2.160 195 G HA2 -0.248 2.879 3.960 -1.388 0.000 0.244 195 G HA3 -0.248 2.879 3.960 -1.388 0.000 0.244 195 G C -0.328 174.558 174.900 -0.023 0.000 1.022 195 G CA 0.014 45.083 45.100 -0.051 0.000 0.741 195 G HN 0.141 nan 8.290 nan 0.000 0.508 196 L N 0.985 122.208 121.223 -0.000 0.000 2.344 196 L HA 0.827 4.334 4.340 -1.388 0.000 0.272 196 L C 0.939 177.899 176.870 0.150 0.000 1.035 196 L CA 0.265 55.135 54.840 0.049 0.000 0.807 196 L CB 1.844 43.934 42.059 0.052 0.000 1.237 196 L HN 0.531 nan 8.230 nan 0.000 0.442 197 S N -0.038 115.691 115.700 0.049 0.000 2.795 197 S HA 0.600 4.237 4.470 -1.388 0.000 0.308 197 S C 1.004 175.329 174.600 -0.459 0.000 1.098 197 S CA -0.088 58.021 58.200 -0.151 0.000 0.934 197 S CB 0.815 63.910 63.200 -0.175 0.000 1.300 197 S HN 0.668 nan 8.310 nan 0.000 0.566 198 G N 0.949 109.172 108.800 -0.962 0.000 2.432 198 G HA2 -0.202 2.925 3.960 -1.388 0.000 0.219 198 G HA3 -0.202 2.925 3.960 -1.388 0.000 0.219 198 G C 1.293 176.064 174.900 -0.215 0.000 1.135 198 G CA 1.029 45.681 45.100 -0.747 0.000 0.767 198 G HN 0.916 nan 8.290 nan 0.000 0.550 199 K N 0.255 120.572 120.400 -0.138 0.000 2.362 199 K HA -0.024 3.463 4.320 -1.388 0.000 0.200 199 K C 0.770 177.400 176.600 0.050 0.000 1.046 199 K CA 1.428 57.721 56.287 0.010 0.000 0.952 199 K CB 0.038 32.550 32.500 0.022 0.000 0.753 199 K HN 0.123 nan 8.250 nan 0.000 0.466 200 D N 1.394 121.800 120.400 0.010 0.000 2.325 200 D HA 0.060 3.867 4.640 -1.388 0.000 0.225 200 D C -0.386 175.949 176.300 0.058 0.000 1.096 200 D CA 0.131 54.154 54.000 0.038 0.000 0.844 200 D CB 0.668 41.484 40.800 0.027 0.000 0.925 200 D HN -0.002 nan 8.370 nan 0.000 0.513 201 V N 1.874 121.817 119.914 0.049 0.000 2.417 201 V HA 0.285 3.572 4.120 -1.388 0.000 0.291 201 V C -0.267 175.780 176.094 -0.077 0.000 1.024 201 V CA -0.960 61.365 62.300 0.042 0.000 0.861 201 V CB 2.267 34.191 31.823 0.167 0.000 0.985 201 V HN -0.052 nan 8.190 nan 0.000 0.436 202 L N 6.714 127.860 121.223 -0.128 0.000 2.296 202 L HA 0.758 4.265 4.340 -1.388 0.000 0.286 202 L C -0.604 176.041 176.870 -0.374 0.000 1.023 202 L CA 0.060 54.754 54.840 -0.244 0.000 0.812 202 L CB 1.763 43.715 42.059 -0.178 0.000 1.223 202 L HN 0.434 nan 8.230 nan 0.000 0.421 203 V N 4.589 124.234 119.914 -0.449 0.000 2.448 203 V HA 0.817 4.104 4.120 -1.388 0.000 0.295 203 V C -0.063 175.855 176.094 -0.293 0.000 1.025 203 V CA -0.215 61.833 62.300 -0.420 0.000 0.859 203 V CB 1.256 32.806 31.823 -0.456 0.000 0.988 203 V HN 0.924 nan 8.190 nan 0.000 0.431 204 S N 2.187 117.727 115.700 -0.267 0.000 2.752 204 S HA 0.987 4.624 4.470 -1.388 0.000 0.284 204 S C -0.466 174.072 174.600 -0.103 0.000 1.189 204 S CA 0.151 58.233 58.200 -0.197 0.000 0.835 204 S CB 2.039 65.096 63.200 -0.239 0.000 1.192 204 S HN 1.754 nan 8.310 nan 0.000 0.506 205 G N 0.725 109.502 108.800 -0.038 0.000 2.345 205 G HA2 0.295 3.423 3.960 -1.388 0.000 0.310 205 G HA3 0.295 3.423 3.960 -1.388 0.000 0.310 205 G C -2.009 172.940 174.900 0.082 0.000 1.476 205 G CA -0.727 44.378 45.100 0.008 0.000 0.978 205 G HN 0.870 nan 8.290 nan 0.000 0.656 206 H N 0.570 119.617 119.070 -0.038 0.000 2.572 206 H HA 0.769 4.490 4.556 -1.392 0.000 0.359 206 H C 0.695 176.039 175.328 0.027 0.000 1.134 206 H CA 0.836 56.880 56.048 -0.006 0.000 1.187 206 H CB 1.914 31.703 29.762 0.044 0.000 1.597 206 H HN 1.545 nan 8.280 nan 0.000 0.524 207 S N 2.146 117.555 115.700 -0.485 0.000 4.074 207 S HA -0.277 3.360 4.470 -1.388 0.000 0.626 207 S C 1.655 176.235 174.600 -0.034 0.000 1.989 207 S CA 1.013 59.152 58.200 -0.101 0.000 4.158 207 S CB -1.248 62.091 63.200 0.231 0.000 0.211 207 S HN 0.678 nan 8.310 nan 0.000 0.599 208 L N 1.905 123.147 121.223 0.031 0.000 2.141 208 L HA 0.087 3.594 4.340 -1.388 0.000 0.209 208 L C 2.760 179.519 176.870 -0.185 0.000 1.094 208 L CA 1.404 56.178 54.840 -0.110 0.000 0.763 208 L CB -1.113 40.936 42.059 -0.017 0.000 0.908 208 L HN 0.766 nan 8.230 nan 0.000 0.437 209 G N 0.543 109.309 108.800 -0.057 0.000 2.513 209 G HA2 -0.283 2.844 3.960 -1.388 0.000 0.219 209 G HA3 -0.283 2.844 3.960 -1.388 0.000 0.219 209 G C 1.580 176.452 174.900 -0.046 0.000 1.160 209 G CA 0.986 46.075 45.100 -0.017 0.000 0.767 209 G HN 0.489 nan 8.290 nan 0.000 0.571 210 G N 0.422 109.174 108.800 -0.081 0.000 2.408 210 G HA2 -0.089 3.038 3.960 -1.388 0.000 0.217 210 G HA3 -0.089 3.038 3.960 -1.388 0.000 0.217 210 G C 1.766 176.578 174.900 -0.148 0.000 1.150 210 G CA 0.761 45.801 45.100 -0.101 0.000 0.776 210 G HN 0.476 nan 8.290 nan 0.000 0.542 211 L N 0.633 121.722 121.223 -0.224 0.000 2.042 211 L HA -0.004 3.503 4.340 -1.388 0.000 0.210 211 L C 3.108 179.751 176.870 -0.378 0.000 1.076 211 L CA 1.813 56.455 54.840 -0.329 0.000 0.749 211 L CB -0.285 41.471 42.059 -0.505 0.000 0.893 211 L HN 0.258 nan 8.230 nan 0.000 0.432 212 A N -0.561 121.987 122.820 -0.452 0.000 1.908 212 A HA -0.173 3.314 4.320 -1.388 0.000 0.218 212 A C 2.197 179.508 177.584 -0.455 0.000 1.181 212 A CA 1.960 53.655 52.037 -0.570 0.000 0.627 212 A CB -1.048 17.492 19.000 -0.766 0.000 0.818 212 A HN 0.362 nan 8.150 nan 0.000 0.445 213 V N 1.062 120.885 119.914 -0.151 0.000 2.332 213 V HA -0.298 2.989 4.120 -1.388 0.000 0.248 213 V C 2.317 178.407 176.094 -0.006 0.000 1.055 213 V CA 2.169 64.518 62.300 0.082 0.000 1.038 213 V CB -0.934 30.956 31.823 0.111 0.000 0.651 213 V HN 0.593 nan 8.190 nan 0.000 0.450 214 N N -0.188 118.452 118.700 -0.099 0.000 2.142 214 N HA -0.153 3.754 4.740 -1.388 0.000 0.186 214 N C 2.196 177.620 175.510 -0.143 0.000 1.023 214 N CA 1.672 54.648 53.050 -0.124 0.000 0.852 214 N CB -0.186 38.232 38.487 -0.115 0.000 0.998 214 N HN 0.486 nan 8.380 nan 0.000 0.424 215 S N 1.452 117.057 115.700 -0.158 0.000 2.353 215 S HA -0.152 3.486 4.470 -1.388 0.000 0.222 215 S C 2.019 176.587 174.600 -0.054 0.000 1.035 215 S CA 1.130 59.259 58.200 -0.117 0.000 1.025 215 S CB -0.197 62.925 63.200 -0.130 0.000 0.902 215 S HN 0.274 nan 8.310 nan 0.000 0.440 216 M N 0.844 120.415 119.600 -0.047 0.000 2.108 216 M HA -0.086 3.562 4.480 -1.388 0.000 0.261 216 M C 2.172 178.495 176.300 0.039 0.000 1.066 216 M CA 1.743 57.115 55.300 0.120 0.000 1.107 216 M CB -0.596 32.124 32.600 0.201 0.000 1.356 216 M HN 0.489 nan 8.290 nan 0.000 0.406 217 A N 0.517 123.138 122.820 -0.331 0.000 1.873 217 A HA -0.255 3.232 4.320 -1.388 0.000 0.218 217 A C 1.736 179.173 177.584 -0.245 0.000 1.193 217 A CA 2.348 53.965 52.037 -0.699 0.000 0.629 217 A CB -1.225 17.309 19.000 -0.776 0.000 0.826 217 A HN 0.576 nan 8.150 nan 0.000 0.447 218 D N -0.269 120.043 120.400 -0.146 0.000 2.182 218 D HA -0.109 3.699 4.640 -1.388 0.000 0.201 218 D C 1.764 178.051 176.300 -0.021 0.000 0.986 218 D CA 1.067 55.024 54.000 -0.071 0.000 0.847 218 D CB -0.207 40.556 40.800 -0.062 0.000 0.942 218 D HN 0.493 nan 8.370 nan 0.000 0.467 219 L N 0.471 121.716 121.223 0.036 0.000 2.446 219 L HA -0.011 3.496 4.340 -1.388 0.000 0.219 219 L C 2.330 179.277 176.870 0.128 0.000 1.116 219 L CA 0.385 55.253 54.840 0.047 0.000 0.844 219 L CB -0.187 41.913 42.059 0.067 0.000 0.970 219 L HN -0.008 nan 8.230 nan 0.000 0.457 220 S N -0.070 115.785 115.700 0.257 0.000 2.419 220 S HA -0.106 3.531 4.470 -1.388 0.000 0.233 220 S C 1.990 176.748 174.600 0.264 0.000 1.016 220 S CA 1.000 59.447 58.200 0.413 0.000 0.974 220 S CB -0.652 62.790 63.200 0.403 0.000 0.786 220 S HN 0.416 nan 8.310 nan 0.000 0.492 221 G N 0.594 109.469 108.800 0.125 0.000 2.484 221 G HA2 0.316 3.443 3.960 -1.388 0.000 0.218 221 G HA3 0.316 3.443 3.960 -1.388 0.000 0.218 221 G C 1.143 176.069 174.900 0.043 0.000 1.130 221 G CA 0.498 45.643 45.100 0.075 0.000 0.784 221 G HN 0.684 nan 8.290 nan 0.000 0.543 222 G N -0.820 107.982 108.800 0.003 0.000 2.727 222 G HA2 0.272 3.399 3.960 -1.388 0.000 0.207 222 G HA3 0.272 3.399 3.960 -1.388 0.000 0.207 222 G C 0.624 175.441 174.900 -0.138 0.000 1.060 222 G CA -0.238 44.829 45.100 -0.056 0.000 0.814 222 G HN 0.297 nan 8.290 nan 0.000 0.576 223 K N -0.481 119.771 120.400 -0.247 0.000 2.185 223 K HA 0.352 3.840 4.320 -1.388 0.000 0.240 223 K C -0.152 176.295 176.600 -0.255 0.000 0.983 223 K CA -0.971 54.957 56.287 -0.599 0.000 0.873 223 K CB 1.172 32.787 32.500 -1.475 0.000 1.118 223 K HN 0.159 nan 8.250 nan 0.000 0.441 224 W N 0.044 121.436 121.300 0.152 0.000 5.121 224 W HA -0.199 3.629 4.660 -1.388 0.000 0.372 224 W C 0.682 177.268 176.519 0.112 0.000 1.394 224 W CA 1.087 58.529 57.345 0.162 0.000 0.885 224 W CB -2.592 27.072 29.460 0.340 0.000 2.520 224 W HN 1.122 nan 8.180 nan 0.000 1.455 225 G N -1.008 107.886 108.800 0.157 0.000 2.233 225 G HA2 0.049 3.176 3.960 -1.388 0.000 0.270 225 G HA3 0.049 3.176 3.960 -1.388 0.000 0.270 225 G C 1.296 176.287 174.900 0.151 0.000 1.011 225 G CA 1.472 46.645 45.100 0.121 0.000 0.762 225 G HN 1.847 nan 8.290 nan 0.000 0.511 226 G N -1.637 107.278 108.800 0.192 0.000 2.155 226 G HA2 -0.267 2.860 3.960 -1.388 0.000 0.257 226 G HA3 -0.267 2.860 3.960 -1.388 0.000 0.257 226 G C 0.954 175.970 174.900 0.194 0.000 0.983 226 G CA 0.964 46.176 45.100 0.186 0.000 0.676 226 G HN 1.469 nan 8.290 nan 0.000 0.528 227 F N 0.303 120.270 119.950 0.027 0.000 2.161 227 F HA 0.154 3.848 4.527 -1.389 0.000 0.300 227 F C 1.890 177.582 175.800 -0.181 0.000 1.089 227 F CA 1.891 59.786 58.000 -0.175 0.000 1.282 227 F CB -0.116 38.619 39.000 -0.442 0.000 1.010 227 F HN 0.169 nan 8.300 nan 0.000 0.485 228 F N -0.365 119.763 119.950 0.296 0.000 2.692 228 F HA 0.338 4.033 4.527 -1.386 0.000 0.303 228 F C 1.958 177.903 175.800 0.242 0.000 1.114 228 F CA 0.327 58.454 58.000 0.212 0.000 1.361 228 F CB -1.107 38.088 39.000 0.325 0.000 1.063 228 F HN 0.020 nan 8.300 nan 0.000 0.550 229 A N -0.327 122.659 122.820 0.276 0.000 1.969 229 A HA -0.148 3.339 4.320 -1.388 0.000 0.218 229 A C 1.617 179.326 177.584 0.208 0.000 1.169 229 A CA 1.714 53.890 52.037 0.232 0.000 0.635 229 A CB -0.366 18.715 19.000 0.134 0.000 0.810 229 A HN 0.168 nan 8.150 nan 0.000 0.445 230 D N -0.234 120.237 120.400 0.119 0.000 2.342 230 D HA 0.190 3.998 4.640 -1.388 0.000 0.221 230 D C 0.304 176.684 176.300 0.134 0.000 1.101 230 D CA 0.110 54.162 54.000 0.085 0.000 0.837 230 D CB 0.214 41.000 40.800 -0.023 0.000 0.938 230 D HN 0.240 nan 8.370 nan 0.000 0.508 231 S N 0.553 116.374 115.700 0.201 0.000 2.634 231 S HA 0.230 3.868 4.470 -1.388 0.000 0.261 231 S C 0.392 175.021 174.600 0.050 0.000 1.271 231 S CA -0.471 57.767 58.200 0.063 0.000 0.985 231 S CB 0.641 63.813 63.200 -0.045 0.000 0.968 231 S HN 0.136 nan 8.310 nan 0.000 0.568 232 N N 1.151 119.761 118.700 -0.150 0.000 2.444 232 N HA 0.305 4.212 4.740 -1.388 0.000 0.262 232 N C -1.749 173.529 175.510 -0.386 0.000 0.974 232 N CA -0.081 52.967 53.050 -0.004 0.000 0.933 232 N CB 0.990 39.464 38.487 -0.022 0.000 1.137 232 N HN 0.476 nan 8.380 nan 0.000 0.498 233 Y N 2.038 122.304 120.300 -0.057 0.000 2.388 233 Y HA 0.503 4.220 4.550 -1.389 0.000 0.328 233 Y C 0.115 175.852 175.900 -0.272 0.000 0.963 233 Y CA -0.602 57.434 58.100 -0.108 0.000 1.240 233 Y CB 1.185 39.668 38.460 0.037 0.000 1.118 233 Y HN 0.297 nan 8.280 nan 0.000 0.484 234 I N 3.367 123.786 120.570 -0.252 0.000 2.439 234 I HA 0.678 4.015 4.170 -1.388 0.000 0.285 234 I C -0.548 175.275 176.117 -0.490 0.000 1.021 234 I CA -0.799 60.263 61.300 -0.397 0.000 1.091 234 I CB 1.612 39.292 38.000 -0.533 0.000 1.242 234 I HN 0.636 nan 8.210 nan 0.000 0.439 235 A N 6.071 128.619 122.820 -0.455 0.000 2.331 235 A HA 0.774 4.261 4.320 -1.388 0.000 0.320 235 A C -1.515 175.739 177.584 -0.549 0.000 1.138 235 A CA -0.349 51.462 52.037 -0.376 0.000 0.790 235 A CB 0.614 19.527 19.000 -0.144 0.000 1.206 235 A HN 0.545 nan 8.150 nan 0.000 0.470 236 Y N 1.219 121.393 120.300 -0.210 0.000 2.328 236 Y HA 0.470 4.189 4.550 -1.386 0.000 0.337 236 Y C 1.034 176.647 175.900 -0.478 0.000 1.008 236 Y CA 0.166 58.050 58.100 -0.360 0.000 1.129 236 Y CB 1.687 39.916 38.460 -0.386 0.000 1.185 236 Y HN 1.359 nan 8.280 nan 0.000 0.476 237 A N 2.023 124.643 122.820 -0.333 0.000 2.822 237 A HA -0.219 3.268 4.320 -1.388 0.000 0.287 237 A C 0.643 178.238 177.584 0.019 0.000 1.479 237 A CA 0.828 52.742 52.037 -0.206 0.000 0.779 237 A CB -1.821 16.834 19.000 -0.575 0.000 1.022 237 A HN 0.611 nan 8.150 nan 0.000 0.532 238 S N 0.098 115.864 115.700 0.110 0.000 2.548 238 S HA 0.523 4.160 4.470 -1.388 0.000 0.277 238 S C -0.273 174.369 174.600 0.070 0.000 1.315 238 S CA -0.855 57.368 58.200 0.037 0.000 1.050 238 S CB 0.812 64.006 63.200 -0.011 0.000 0.918 238 S HN 0.370 nan 8.310 nan 0.000 0.497 239 P HA 0.027 nan 4.420 nan 0.000 0.223 239 P C 0.582 177.844 177.300 -0.063 0.000 1.151 239 P CA 0.779 63.858 63.100 -0.035 0.000 0.787 239 P CB -0.318 31.413 31.700 0.052 0.000 0.788 240 T N -2.881 111.628 114.554 -0.075 0.000 2.949 240 T HA 0.640 4.157 4.350 -1.388 0.000 0.287 240 T C -0.611 174.050 174.700 -0.065 0.000 1.034 240 T CA -0.673 61.382 62.100 -0.075 0.000 1.018 240 T CB 1.727 70.529 68.868 -0.110 0.000 1.135 240 T HN -0.179 nan 8.240 nan 0.000 0.532 241 Q N 0.956 120.723 119.800 -0.056 0.000 2.347 241 Q HA 0.569 4.076 4.340 -1.388 0.000 0.271 241 Q C -0.193 175.780 176.000 -0.044 0.000 1.064 241 Q CA -0.772 55.007 55.803 -0.041 0.000 0.800 241 Q CB 2.122 30.841 28.738 -0.031 0.000 1.304 241 Q HN 0.964 nan 8.270 nan 0.000 0.438 242 S N 0.255 115.924 115.700 -0.051 0.000 2.596 242 S HA 0.169 3.806 4.470 -1.388 0.000 0.260 242 S C 0.223 174.800 174.600 -0.039 0.000 1.336 242 S CA -0.174 57.991 58.200 -0.058 0.000 0.993 242 S CB 0.552 63.698 63.200 -0.090 0.000 0.923 242 S HN 0.540 nan 8.310 nan 0.000 0.567 243 S N 0.328 116.006 115.700 -0.037 0.000 2.634 243 S HA 0.168 3.806 4.470 -1.388 0.000 0.221 243 S C 0.932 175.516 174.600 -0.026 0.000 0.952 243 S CA -0.006 58.179 58.200 -0.025 0.000 0.930 243 S CB -0.744 62.445 63.200 -0.019 0.000 0.780 243 S HN 1.000 nan 8.310 nan 0.000 0.498 244 T N 0.582 115.114 114.554 -0.038 0.000 2.880 244 T HA 0.366 3.883 4.350 -1.388 0.000 0.279 244 T C 0.016 174.706 174.700 -0.017 0.000 0.990 244 T CA -0.448 61.632 62.100 -0.034 0.000 0.938 244 T CB 0.978 69.808 68.868 -0.062 0.000 1.206 244 T HN 0.116 nan 8.240 nan 0.000 0.573 245 D N -1.662 118.734 120.400 -0.008 0.000 2.559 245 D HA 0.213 4.020 4.640 -1.388 0.000 0.234 245 D C 0.834 177.151 176.300 0.028 0.000 1.226 245 D CA -0.431 53.573 54.000 0.007 0.000 0.830 245 D CB 0.079 40.875 40.800 -0.006 0.000 1.028 245 D HN 0.625 nan 8.370 nan 0.000 0.492 246 K N -0.391 120.034 120.400 0.042 0.000 2.334 246 K HA 0.169 3.656 4.320 -1.388 0.000 0.195 246 K C 0.065 176.842 176.600 0.296 0.000 1.045 246 K CA 0.219 56.580 56.287 0.124 0.000 1.004 246 K CB 1.309 33.809 32.500 0.000 0.000 0.837 246 K HN 0.013 nan 8.250 nan 0.000 0.510 247 V N 2.603 122.626 119.914 0.183 0.000 2.398 247 V HA 0.189 3.477 4.120 -1.388 0.000 0.286 247 V C -0.664 175.560 176.094 0.216 0.000 1.026 247 V CA -0.961 61.461 62.300 0.203 0.000 0.868 247 V CB 1.513 33.373 31.823 0.062 0.000 0.982 247 V HN 0.068 nan 8.190 nan 0.000 0.443 248 L N 5.278 126.634 121.223 0.221 0.000 2.268 248 L HA 0.437 3.944 4.340 -1.388 0.000 0.289 248 L C 0.099 177.004 176.870 0.059 0.000 1.064 248 L CA 0.299 55.246 54.840 0.179 0.000 0.824 248 L CB 0.170 42.345 42.059 0.193 0.000 1.202 248 L HN 0.640 nan 8.230 nan 0.000 0.433 249 N N 3.906 122.678 118.700 0.120 0.000 2.469 249 N HA 0.329 4.237 4.740 -1.388 0.000 0.239 249 N C -1.048 174.600 175.510 0.230 0.000 1.053 249 N CA -0.347 52.794 53.050 0.153 0.000 0.937 249 N CB 1.018 39.639 38.487 0.224 0.000 1.163 249 N HN 0.378 nan 8.380 nan 0.000 0.509 250 V N 1.407 121.328 119.914 0.012 0.000 2.481 250 V HA 0.845 4.132 4.120 -1.388 0.000 0.286 250 V C 0.799 176.650 176.094 -0.405 0.000 1.042 250 V CA -0.487 61.807 62.300 -0.010 0.000 0.928 250 V CB 1.298 33.183 31.823 0.103 0.000 0.986 250 V HN 0.721 nan 8.190 nan 0.000 0.462 251 G N 2.561 110.866 108.800 -0.825 0.000 2.601 251 G HA2 0.514 3.642 3.960 -1.388 0.000 0.291 251 G HA3 0.514 3.642 3.960 -1.388 0.000 0.291 251 G C -1.968 172.583 174.900 -0.582 0.000 1.456 251 G CA -0.664 43.664 45.100 -1.286 0.000 0.804 251 G HN 0.297 nan 8.290 nan 0.000 0.499 252 Y N 1.065 121.286 120.300 -0.132 0.000 2.359 252 Y HA 0.207 3.922 4.550 -1.391 0.000 0.330 252 Y C 2.044 178.082 175.900 0.230 0.000 1.143 252 Y CA -0.063 58.023 58.100 -0.023 0.000 1.318 252 Y CB 1.508 39.861 38.460 -0.178 0.000 1.234 252 Y HN 0.847 nan 8.280 nan 0.000 0.522 253 E N 1.194 121.627 120.200 0.389 0.000 2.204 253 E HA -0.205 3.312 4.350 -1.388 0.000 0.194 253 E C 0.654 177.381 176.600 0.212 0.000 0.989 253 E CA 1.399 58.005 56.400 0.342 0.000 0.824 253 E CB -0.094 29.759 29.700 0.255 0.000 0.756 253 E HN 0.740 nan 8.360 nan 0.000 0.477 254 N N 1.094 119.892 118.700 0.163 0.000 2.336 254 N HA -0.081 3.826 4.740 -1.388 0.000 0.189 254 N C -0.167 175.535 175.510 0.320 0.000 1.113 254 N CA 0.171 53.309 53.050 0.148 0.000 0.858 254 N CB -0.094 38.454 38.487 0.102 0.000 0.970 254 N HN 0.052 nan 8.380 nan 0.000 0.471 255 D N 2.821 123.427 120.400 0.343 0.000 2.346 255 D HA 0.077 3.885 4.640 -1.388 0.000 0.260 255 D C -1.346 175.148 176.300 0.323 0.000 1.252 255 D CA -1.870 52.332 54.000 0.336 0.000 0.895 255 D CB 1.460 42.555 40.800 0.492 0.000 1.097 255 D HN 0.114 nan 8.370 nan 0.000 0.489 256 P HA -0.096 nan 4.420 nan 0.000 0.229 256 P C 1.351 178.683 177.300 0.054 0.000 1.160 256 P CA 0.245 63.397 63.100 0.085 0.000 0.777 256 P CB 0.538 32.003 31.700 -0.393 0.000 0.814 257 V N -0.416 119.330 119.914 -0.279 0.000 2.407 257 V HA -0.094 3.193 4.120 -1.388 0.000 0.245 257 V C 1.471 177.566 176.094 0.002 0.000 1.041 257 V CA 0.472 62.568 62.300 -0.340 0.000 1.040 257 V CB -1.396 29.875 31.823 -0.919 0.000 0.671 257 V HN -0.015 nan 8.190 nan 0.000 0.455 258 F N 2.753 122.719 119.950 0.027 0.000 2.539 258 F HA 0.173 3.867 4.527 -1.389 0.000 0.393 258 F C 1.284 177.167 175.800 0.139 0.000 1.032 258 F CA -0.207 57.858 58.000 0.109 0.000 1.120 258 F CB -0.899 38.227 39.000 0.210 0.000 1.014 258 F HN 0.210 nan 8.300 nan 0.000 0.546 259 R N 2.162 122.465 120.500 -0.329 0.000 3.878 259 R HA -0.237 3.270 4.340 -1.388 0.000 0.330 259 R C 1.253 177.246 176.300 -0.512 0.000 1.186 259 R CA 0.548 56.401 56.100 -0.411 0.000 0.885 259 R CB -2.138 27.841 30.300 -0.536 0.000 1.377 259 R HN 0.671 nan 8.270 nan 0.000 0.523 260 A N 0.487 122.919 122.820 -0.647 0.000 1.978 260 A HA -0.011 3.477 4.320 -1.388 0.000 0.220 260 A C 1.017 178.279 177.584 -0.536 0.000 1.170 260 A CA 1.073 52.536 52.037 -0.957 0.000 0.636 260 A CB 0.031 18.765 19.000 -0.443 0.000 0.810 260 A HN 0.278 nan 8.150 nan 0.000 0.448 261 L N -0.972 120.078 121.223 -0.288 0.000 2.333 261 L HA 0.409 3.916 4.340 -1.388 0.000 0.269 261 L C -0.883 175.912 176.870 -0.125 0.000 1.010 261 L CA -0.939 53.809 54.840 -0.154 0.000 0.818 261 L CB 1.617 43.672 42.059 -0.007 0.000 1.306 261 L HN 0.030 nan 8.230 nan 0.000 0.430 262 D N 1.131 121.484 120.400 -0.079 0.000 2.428 262 D HA 0.470 4.277 4.640 -1.388 0.000 0.221 262 D C 0.687 176.974 176.300 -0.022 0.000 1.123 262 D CA 0.933 54.900 54.000 -0.054 0.000 0.869 262 D CB 0.898 41.674 40.800 -0.040 0.000 1.032 262 D HN 0.712 nan 8.370 nan 0.000 0.506 263 G N 3.539 112.322 108.800 -0.028 0.000 2.720 263 G HA2 -0.307 2.820 3.960 -1.388 0.000 0.293 263 G HA3 -0.307 2.820 3.960 -1.388 0.000 0.293 263 G C 0.655 175.554 174.900 -0.001 0.000 1.256 263 G CA 0.673 45.765 45.100 -0.013 0.000 0.974 263 G HN 1.176 nan 8.290 nan 0.000 0.551 264 S N -0.603 115.118 115.700 0.034 0.000 2.846 264 S HA 0.517 4.154 4.470 -1.388 0.000 0.249 264 S C 0.286 174.963 174.600 0.128 0.000 1.028 264 S CA 1.038 59.292 58.200 0.089 0.000 1.043 264 S CB 0.689 63.956 63.200 0.111 0.000 0.990 264 S HN 0.979 nan 8.310 nan 0.000 0.564 265 T N 2.969 117.574 114.554 0.086 0.000 2.794 265 T HA 0.373 3.890 4.350 -1.388 0.000 0.296 265 T C -0.670 174.100 174.700 0.116 0.000 0.949 265 T CA -0.231 61.933 62.100 0.106 0.000 1.101 265 T CB 0.231 69.141 68.868 0.069 0.000 0.905 265 T HN 0.408 nan 8.240 nan 0.000 0.516 266 F N 4.524 124.486 119.950 0.019 0.000 2.472 266 F HA 0.385 4.078 4.527 -1.390 0.000 0.364 266 F C 1.030 176.836 175.800 0.009 0.000 1.090 266 F CA -0.201 57.803 58.000 0.006 0.000 1.188 266 F CB 0.435 39.433 39.000 -0.002 0.000 1.105 266 F HN 0.642 nan 8.300 nan 0.000 0.536 267 T N 1.259 115.674 114.554 -0.231 0.000 2.807 267 T HA 0.454 3.972 4.350 -1.388 0.000 0.277 267 T C 1.128 175.747 174.700 -0.135 0.000 1.006 267 T CA -0.311 61.750 62.100 -0.066 0.000 1.006 267 T CB 1.134 69.967 68.868 -0.058 0.000 1.274 267 T HN 0.556 nan 8.240 nan 0.000 0.569 268 G N -0.501 108.297 108.800 -0.003 0.000 2.498 268 G HA2 0.166 3.294 3.960 -1.388 0.000 0.219 268 G HA3 0.166 3.294 3.960 -1.388 0.000 0.219 268 G C 1.312 176.204 174.900 -0.014 0.000 1.119 268 G CA 0.671 45.786 45.100 0.026 0.000 0.766 268 G HN 1.108 nan 8.290 nan 0.000 0.552 269 A N -0.015 122.774 122.820 -0.051 0.000 2.169 269 A HA 0.377 3.864 4.320 -1.388 0.000 0.210 269 A C 2.472 180.068 177.584 0.020 0.000 1.168 269 A CA 1.242 53.287 52.037 0.013 0.000 0.813 269 A CB -0.084 18.946 19.000 0.050 0.000 0.861 269 A HN 0.193 nan 8.150 nan 0.000 0.481 270 S N 0.184 115.745 115.700 -0.231 0.000 2.380 270 S HA -0.202 3.435 4.470 -1.388 0.000 0.229 270 S C 1.729 176.252 174.600 -0.129 0.000 1.043 270 S CA 1.967 59.934 58.200 -0.387 0.000 1.038 270 S CB -0.577 62.002 63.200 -1.034 0.000 0.872 270 S HN 1.049 nan 8.310 nan 0.000 0.456 271 V N -1.336 118.523 119.914 -0.091 0.000 3.633 271 V HA 0.537 3.824 4.120 -1.388 0.000 0.283 271 V C 0.819 176.978 176.094 0.108 0.000 1.305 271 V CA 0.481 62.816 62.300 0.059 0.000 1.153 271 V CB -0.364 31.532 31.823 0.121 0.000 0.950 271 V HN 0.325 nan 8.190 nan 0.000 0.432 272 G N -0.025 108.867 108.800 0.154 0.000 3.286 272 G HA2 0.523 3.650 3.960 -1.388 0.000 0.166 272 G HA3 0.523 3.650 3.960 -1.388 0.000 0.166 272 G C -0.693 174.361 174.900 0.257 0.000 1.155 272 G CA -0.343 44.868 45.100 0.186 0.000 0.871 272 G HN 0.120 nan 8.290 nan 0.000 0.637 273 V N 1.631 121.649 119.914 0.173 0.000 2.461 273 V HA 0.372 3.660 4.120 -1.388 0.000 0.275 273 V C -0.603 175.462 176.094 -0.048 0.000 1.047 273 V CA -0.266 62.020 62.300 -0.024 0.000 0.955 273 V CB 0.549 32.315 31.823 -0.094 0.000 0.988 273 V HN 0.794 nan 8.190 nan 0.000 0.471 274 H N 0.420 119.522 119.070 0.053 0.000 2.380 274 H HA 0.497 4.218 4.556 -1.391 0.000 0.231 274 H C -0.352 174.953 175.328 -0.038 0.000 1.415 274 H CA -0.773 55.270 56.048 -0.009 0.000 1.433 274 H CB 0.221 29.963 29.762 -0.033 0.000 1.544 274 H HN 0.487 nan 8.280 nan 0.000 0.503 275 D N 1.394 121.799 120.400 0.007 0.000 2.462 275 D HA 0.275 4.082 4.640 -1.388 0.000 0.221 275 D C 0.616 176.927 176.300 0.019 0.000 1.173 275 D CA -0.227 53.772 54.000 -0.000 0.000 0.831 275 D CB 0.106 40.884 40.800 -0.037 0.000 1.001 275 D HN 0.701 nan 8.370 nan 0.000 0.499 276 A N 1.135 123.967 122.820 0.019 0.000 2.531 276 A HA 0.373 3.860 4.320 -1.388 0.000 0.236 276 A C -2.137 175.454 177.584 0.012 0.000 1.062 276 A CA -0.732 51.315 52.037 0.016 0.000 0.760 276 A CB -0.112 18.895 19.000 0.011 0.000 0.995 276 A HN 0.164 nan 8.150 nan 0.000 0.501 277 P HA 0.231 nan 4.420 nan 0.000 0.266 277 P C -0.710 176.596 177.300 0.011 0.000 1.195 277 P CA 0.330 63.446 63.100 0.027 0.000 0.768 277 P CB 0.405 32.126 31.700 0.035 0.000 0.838 278 K N 1.917 122.324 120.400 0.012 0.000 2.507 278 K HA 0.109 3.596 4.320 -1.388 0.000 0.251 278 K C 0.816 177.432 176.600 0.028 0.000 0.943 278 K CA -0.628 55.661 56.287 0.003 0.000 0.794 278 K CB 1.903 34.384 32.500 -0.031 0.000 1.188 278 K HN 0.360 nan 8.250 nan 0.000 0.428 279 E N 1.438 121.653 120.200 0.025 0.000 2.086 279 E HA -0.224 3.294 4.350 -1.388 0.000 0.200 279 E C 1.146 177.780 176.600 0.055 0.000 1.012 279 E CA 2.431 58.852 56.400 0.034 0.000 0.812 279 E CB 0.169 29.882 29.700 0.022 0.000 0.743 279 E HN 0.648 nan 8.360 nan 0.000 0.453 280 S N -0.572 115.163 115.700 0.058 0.000 2.561 280 S HA 0.244 3.881 4.470 -1.388 0.000 0.225 280 S C 0.733 175.413 174.600 0.133 0.000 0.977 280 S CA 0.258 58.511 58.200 0.089 0.000 0.926 280 S CB 0.155 63.397 63.200 0.071 0.000 0.769 280 S HN 0.377 nan 8.310 nan 0.000 0.533 281 A N 2.260 125.160 122.820 0.133 0.000 2.303 281 A HA 0.616 4.103 4.320 -1.388 0.000 0.317 281 A C 0.430 178.161 177.584 0.245 0.000 1.149 281 A CA -0.484 51.688 52.037 0.226 0.000 0.822 281 A CB 0.493 19.583 19.000 0.150 0.000 1.131 281 A HN 0.454 nan 8.150 nan 0.000 0.493 282 T N -0.143 114.610 114.554 0.332 0.000 2.738 282 T HA 0.233 3.750 4.350 -1.388 0.000 0.294 282 T C -0.190 174.703 174.700 0.321 0.000 0.914 282 T CA -0.340 61.920 62.100 0.268 0.000 1.052 282 T CB 0.534 69.557 68.868 0.258 0.000 0.897 282 T HN 0.503 nan 8.240 nan 0.000 0.522 283 D N 2.584 123.114 120.400 0.217 0.000 2.348 283 D HA 0.011 3.818 4.640 -1.388 0.000 0.211 283 D C 0.545 176.978 176.300 0.221 0.000 0.998 283 D CA 0.344 54.474 54.000 0.217 0.000 0.873 283 D CB 0.329 41.211 40.800 0.136 0.000 0.925 283 D HN 0.571 nan 8.370 nan 0.000 0.524 284 N N 0.294 119.097 118.700 0.172 0.000 2.390 284 N HA 0.160 4.067 4.740 -1.388 0.000 0.259 284 N C -0.340 175.199 175.510 0.049 0.000 1.395 284 N CA -0.087 53.023 53.050 0.100 0.000 0.852 284 N CB 1.586 40.084 38.487 0.018 0.000 1.371 284 N HN 0.115 nan 8.380 nan 0.000 0.491 285 I N 1.365 122.017 120.570 0.137 0.000 2.312 285 I HA 0.250 3.587 4.170 -1.388 0.000 0.291 285 I C 0.069 176.320 176.117 0.224 0.000 1.031 285 I CA -0.655 60.739 61.300 0.157 0.000 1.293 285 I CB 1.207 39.307 38.000 0.166 0.000 1.403 285 I HN -0.348 nan 8.210 nan 0.000 0.484 286 V N 5.209 125.192 119.914 0.115 0.000 2.427 286 V HA 0.206 3.494 4.120 -1.388 0.000 0.286 286 V C 0.369 176.335 176.094 -0.213 0.000 1.034 286 V CA -0.405 61.856 62.300 -0.065 0.000 0.893 286 V CB 1.757 33.504 31.823 -0.127 0.000 0.982 286 V HN 0.788 nan 8.190 nan 0.000 0.452 287 S N 5.015 120.361 115.700 -0.590 0.000 2.410 287 S HA 0.432 4.070 4.470 -1.388 0.000 0.304 287 S C -0.733 173.568 174.600 -0.498 0.000 1.095 287 S CA -0.458 57.253 58.200 -0.816 0.000 1.089 287 S CB -0.124 62.172 63.200 -1.506 0.000 0.968 287 S HN 0.528 nan 8.310 nan 0.000 0.480 288 F N 7.295 127.054 119.950 -0.319 0.000 2.451 288 F HA 0.388 4.086 4.527 -1.382 0.000 0.356 288 F C 0.218 176.016 175.800 -0.002 0.000 1.178 288 F CA -0.623 57.310 58.000 -0.112 0.000 1.210 288 F CB -0.022 38.990 39.000 0.020 0.000 1.504 288 F HN 0.739 nan 8.300 nan 0.000 0.598 289 N N 1.268 119.890 118.700 -0.131 0.000 2.619 289 N HA 0.268 4.176 4.740 -1.388 0.000 0.294 289 N C 0.304 175.843 175.510 0.048 0.000 1.279 289 N CA -0.760 52.297 53.050 0.012 0.000 0.867 289 N CB 0.414 38.826 38.487 -0.125 0.000 1.329 289 N HN 0.118 nan 8.380 nan 0.000 0.557 290 D N -1.600 118.920 120.400 0.200 0.000 2.182 290 D HA -0.194 3.613 4.640 -1.388 0.000 0.201 290 D C 1.255 177.680 176.300 0.209 0.000 0.986 290 D CA 1.241 55.373 54.000 0.220 0.000 0.847 290 D CB -0.297 40.694 40.800 0.318 0.000 0.942 290 D HN 0.615 nan 8.370 nan 0.000 0.467 291 H N -0.652 118.400 119.070 -0.030 0.000 2.299 291 H HA -0.163 3.561 4.556 -1.387 0.000 0.302 291 H C 1.950 177.331 175.328 0.090 0.000 1.078 291 H CA 1.263 57.299 56.048 -0.020 0.000 1.323 291 H CB -0.464 29.138 29.762 -0.266 0.000 1.381 291 H HN 0.194 nan 8.280 nan 0.000 0.498 292 Y N 1.174 121.491 120.300 0.027 0.000 2.207 292 Y HA -0.167 3.547 4.550 -1.393 0.000 0.287 292 Y C 2.606 178.350 175.900 -0.260 0.000 1.156 292 Y CA 1.800 59.840 58.100 -0.100 0.000 1.182 292 Y CB -0.518 37.775 38.460 -0.277 0.000 0.979 292 Y HN 0.301 nan 8.280 nan 0.000 0.521 293 A N -0.987 121.662 122.820 -0.286 0.000 2.067 293 A HA 0.036 3.523 4.320 -1.388 0.000 0.217 293 A C 1.389 178.950 177.584 -0.039 0.000 1.156 293 A CA 0.789 52.676 52.037 -0.251 0.000 0.683 293 A CB -0.682 18.260 19.000 -0.097 0.000 0.808 293 A HN 0.327 nan 8.150 nan 0.000 0.455 294 S N -0.811 114.900 115.700 0.018 0.000 2.457 294 S HA 0.341 3.978 4.470 -1.388 0.000 0.289 294 S C 1.076 175.691 174.600 0.024 0.000 1.163 294 S CA 0.151 58.404 58.200 0.090 0.000 1.078 294 S CB 0.913 64.280 63.200 0.279 0.000 0.987 294 S HN 0.336 nan 8.310 nan 0.000 0.482 295 T N 4.890 119.449 114.554 0.008 0.000 2.708 295 T HA -0.080 3.437 4.350 -1.388 0.000 0.266 295 T C 2.151 176.836 174.700 -0.025 0.000 1.037 295 T CA 1.657 63.751 62.100 -0.011 0.000 1.146 295 T CB -0.655 68.209 68.868 -0.008 0.000 0.865 295 T HN 0.816 nan 8.240 nan 0.000 0.435 296 A N 0.641 123.422 122.820 -0.065 0.000 1.858 296 A HA -0.093 3.395 4.320 -1.388 0.000 0.216 296 A C 2.111 179.598 177.584 -0.162 0.000 1.190 296 A CA 1.361 53.303 52.037 -0.159 0.000 0.617 296 A CB -1.290 17.544 19.000 -0.275 0.000 0.827 296 A HN 0.699 nan 8.150 nan 0.000 0.443 297 W N -0.021 121.240 121.300 -0.066 0.000 2.364 297 W HA -0.127 3.727 4.660 -1.343 0.000 0.281 297 W C 1.560 177.972 176.519 -0.180 0.000 1.219 297 W CA 1.139 58.401 57.345 -0.137 0.000 1.220 297 W CB -0.217 29.059 29.460 -0.308 0.000 1.127 297 W HN 0.409 nan 8.180 nan 0.000 0.556 298 N N -0.171 118.563 118.700 0.057 0.000 2.336 298 N HA 0.050 3.957 4.740 -1.388 0.000 0.189 298 N C 1.405 176.968 175.510 0.089 0.000 1.113 298 N CA 0.165 53.259 53.050 0.073 0.000 0.858 298 N CB -0.193 38.303 38.487 0.016 0.000 0.970 298 N HN 0.065 nan 8.380 nan 0.000 0.471 299 L N 0.244 121.505 121.223 0.063 0.000 1.997 299 L HA -0.159 3.348 4.340 -1.388 0.000 0.216 299 L C 0.746 177.664 176.870 0.080 0.000 1.074 299 L CA 1.100 55.970 54.840 0.050 0.000 0.763 299 L CB -0.456 41.612 42.059 0.015 0.000 0.890 299 L HN 0.224 nan 8.230 nan 0.000 0.434 300 L N -0.181 121.111 121.223 0.116 0.000 2.436 300 L HA 0.187 3.694 4.340 -1.388 0.000 0.265 300 L C -1.886 175.074 176.870 0.151 0.000 1.168 300 L CA -1.980 52.935 54.840 0.124 0.000 0.815 300 L CB 0.050 42.193 42.059 0.140 0.000 1.109 300 L HN -0.116 nan 8.230 nan 0.000 0.462 301 P HA -0.038 nan 4.420 nan 0.000 0.268 301 P C -0.639 176.786 177.300 0.209 0.000 1.205 301 P CA -0.199 62.996 63.100 0.159 0.000 0.771 301 P CB 0.248 32.023 31.700 0.124 0.000 0.858 302 F N 2.651 122.661 119.950 0.099 0.000 2.602 302 F HA 0.255 3.952 4.527 -1.384 0.000 0.385 302 F C 0.417 176.267 175.800 0.083 0.000 1.063 302 F CA 1.221 59.285 58.000 0.106 0.000 1.233 302 F CB 0.240 39.286 39.000 0.077 0.000 1.067 302 F HN 0.196 nan 8.300 nan 0.000 0.564 303 S N 6.595 122.019 115.700 -0.460 0.000 2.548 303 S HA 0.236 3.873 4.470 -1.388 0.000 0.278 303 S C 0.526 174.948 174.600 -0.296 0.000 1.150 303 S CA -0.866 57.178 58.200 -0.260 0.000 0.907 303 S CB 0.971 64.160 63.200 -0.018 0.000 1.108 303 S HN 0.866 nan 8.310 nan 0.000 0.459 304 I N 4.297 124.770 120.570 -0.163 0.000 2.300 304 I HA -0.192 3.145 4.170 -1.388 0.000 0.252 304 I C 1.363 177.648 176.117 0.281 0.000 1.119 304 I CA 1.565 62.884 61.300 0.032 0.000 1.384 304 I CB 0.022 38.057 38.000 0.058 0.000 1.062 304 I HN 0.729 nan 8.210 nan 0.000 0.426 305 L N 0.133 121.446 121.223 0.151 0.000 2.376 305 L HA -0.073 3.434 4.340 -1.388 0.000 0.219 305 L C 0.344 177.278 176.870 0.107 0.000 1.133 305 L CA 0.336 55.256 54.840 0.133 0.000 0.816 305 L CB -0.660 41.458 42.059 0.097 0.000 0.933 305 L HN 0.238 nan 8.230 nan 0.000 0.449 306 N N 0.927 119.692 118.700 0.108 0.000 2.500 306 N HA 0.123 4.030 4.740 -1.388 0.000 0.236 306 N C 1.131 176.734 175.510 0.155 0.000 1.022 306 N CA -0.267 52.850 53.050 0.111 0.000 0.935 306 N CB 1.555 40.109 38.487 0.113 0.000 1.147 306 N HN -0.042 nan 8.380 nan 0.000 0.512 307 I N 3.276 123.894 120.570 0.081 0.000 2.185 307 I HA -0.202 3.135 4.170 -1.388 0.000 0.246 307 I C -0.529 175.670 176.117 0.137 0.000 1.088 307 I CA 1.053 62.346 61.300 -0.011 0.000 1.347 307 I CB -2.077 35.847 38.000 -0.127 0.000 1.041 307 I HN 0.323 nan 8.210 nan 0.000 0.415 308 P HA -0.173 nan 4.420 nan 0.000 0.217 308 P C 1.767 179.081 177.300 0.024 0.000 1.151 308 P CA 2.376 65.588 63.100 0.186 0.000 0.849 308 P CB -0.444 31.415 31.700 0.265 0.000 0.787 309 T N -5.587 108.938 114.554 -0.048 0.000 2.977 309 T HA -0.181 3.337 4.350 -1.388 0.000 0.271 309 T C 1.347 175.964 174.700 -0.138 0.000 1.105 309 T CA 0.673 62.585 62.100 -0.314 0.000 1.116 309 T CB -1.250 67.416 68.868 -0.336 0.000 0.878 309 T HN 0.074 nan 8.240 nan 0.000 0.509 310 W N 0.862 122.064 121.300 -0.164 0.000 2.699 310 W HA 0.403 4.221 4.660 -1.402 0.000 0.249 310 W C 1.989 178.465 176.519 -0.072 0.000 1.280 310 W CA -1.258 56.052 57.345 -0.058 0.000 1.345 310 W CB -0.590 28.852 29.460 -0.030 0.000 1.128 310 W HN 0.240 nan 8.180 nan 0.000 0.642 311 I N 0.158 120.710 120.570 -0.029 0.000 2.236 311 I HA -0.379 2.959 4.170 -1.388 0.000 0.249 311 I C 1.589 177.568 176.117 -0.230 0.000 1.102 311 I CA 1.607 62.744 61.300 -0.272 0.000 1.365 311 I CB -0.136 37.357 38.000 -0.844 0.000 1.051 311 I HN -0.214 nan 8.210 nan 0.000 0.420 312 S N -1.064 114.539 115.700 -0.162 0.000 2.603 312 S HA -0.113 3.524 4.470 -1.388 0.000 0.220 312 S C 1.462 176.143 174.600 0.136 0.000 0.967 312 S CA 0.214 58.345 58.200 -0.115 0.000 0.920 312 S CB -0.295 62.841 63.200 -0.107 0.000 0.773 312 S HN 0.582 nan 8.310 nan 0.000 0.529 313 H N 1.174 120.301 119.070 0.095 0.000 2.525 313 H HA 0.332 4.048 4.556 -1.402 0.000 0.275 313 H C 0.333 175.894 175.328 0.388 0.000 0.984 313 H CA 0.004 56.220 56.048 0.280 0.000 1.264 313 H CB -0.087 29.705 29.762 0.049 0.000 1.432 313 H HN 0.226 nan 8.280 nan 0.000 0.549 314 L N 2.995 124.304 121.223 0.144 0.000 2.490 314 L HA 0.039 3.547 4.340 -1.388 0.000 0.274 314 L C -0.998 175.847 176.870 -0.043 0.000 1.201 314 L CA -1.086 53.730 54.840 -0.038 0.000 0.869 314 L CB 0.660 42.674 42.059 -0.076 0.000 1.123 314 L HN 0.249 nan 8.230 nan 0.000 0.484 315 P HA -0.111 nan 4.420 nan 0.000 0.219 315 P C 1.374 178.583 177.300 -0.152 0.000 1.150 315 P CA 1.108 63.950 63.100 -0.431 0.000 0.814 315 P CB 0.159 31.369 31.700 -0.817 0.000 0.787 316 T N 0.178 114.660 114.554 -0.120 0.000 2.759 316 T HA -0.084 3.433 4.350 -1.388 0.000 0.269 316 T C 1.978 176.678 174.700 0.001 0.000 1.042 316 T CA 1.750 63.822 62.100 -0.046 0.000 1.140 316 T CB -0.610 68.250 68.868 -0.013 0.000 0.864 316 T HN 0.119 nan 8.240 nan 0.000 0.455 317 A N -0.391 122.434 122.820 0.009 0.000 2.016 317 A HA 0.094 3.582 4.320 -1.388 0.000 0.217 317 A C 1.891 179.539 177.584 0.107 0.000 1.162 317 A CA 0.693 52.742 52.037 0.020 0.000 0.662 317 A CB -0.690 18.260 19.000 -0.084 0.000 0.812 317 A HN 0.508 nan 8.150 nan 0.000 0.450 318 Y N 0.288 120.632 120.300 0.073 0.000 2.097 318 Y HA -0.151 3.560 4.550 -1.398 0.000 0.282 318 Y C 2.786 178.622 175.900 -0.107 0.000 1.152 318 Y CA 1.621 59.687 58.100 -0.057 0.000 1.136 318 Y CB -0.787 37.534 38.460 -0.232 0.000 0.975 318 Y HN 0.331 nan 8.280 nan 0.000 0.498 319 G N -0.920 107.885 108.800 0.009 0.000 2.421 319 G HA2 -0.327 2.801 3.960 -1.388 0.000 0.216 319 G HA3 -0.327 2.801 3.960 -1.388 0.000 0.216 319 G C 1.230 176.148 174.900 0.030 0.000 1.171 319 G CA 1.325 46.401 45.100 -0.041 0.000 0.775 319 G HN 0.455 nan 8.290 nan 0.000 0.543 320 D N -0.078 120.350 120.400 0.047 0.000 2.084 320 D HA 0.013 3.820 4.640 -1.388 0.000 0.196 320 D C 2.615 178.974 176.300 0.098 0.000 0.985 320 D CA 1.641 55.680 54.000 0.064 0.000 0.826 320 D CB -0.540 40.295 40.800 0.058 0.000 0.978 320 D HN 0.200 nan 8.370 nan 0.000 0.456 321 G N -0.186 108.691 108.800 0.128 0.000 2.402 321 G HA2 -0.197 2.930 3.960 -1.388 0.000 0.216 321 G HA3 -0.197 2.930 3.960 -1.388 0.000 0.216 321 G C 1.597 176.615 174.900 0.197 0.000 1.162 321 G CA 0.533 45.738 45.100 0.175 0.000 0.777 321 G HN 0.261 nan 8.290 nan 0.000 0.539 322 M N 0.208 119.929 119.600 0.201 0.000 2.447 322 M HA 0.095 3.742 4.480 -1.388 0.000 0.264 322 M C 2.225 178.683 176.300 0.263 0.000 1.095 322 M CA 0.553 56.007 55.300 0.256 0.000 1.125 322 M CB -0.042 32.751 32.600 0.321 0.000 1.389 322 M HN 0.250 nan 8.290 nan 0.000 0.459 323 N N 1.079 119.905 118.700 0.209 0.000 2.166 323 N HA -0.124 3.784 4.740 -1.388 0.000 0.186 323 N C 1.638 177.219 175.510 0.118 0.000 1.019 323 N CA 1.440 54.586 53.050 0.161 0.000 0.856 323 N CB 0.081 38.632 38.487 0.107 0.000 0.993 323 N HN 0.194 nan 8.380 nan 0.000 0.426 324 R N -0.103 120.469 120.500 0.120 0.000 2.120 324 R HA 0.005 3.512 4.340 -1.388 0.000 0.234 324 R C 2.065 178.439 176.300 0.123 0.000 1.123 324 R CA 1.076 57.240 56.100 0.108 0.000 0.975 324 R CB -0.262 30.104 30.300 0.110 0.000 0.866 324 R HN 0.389 nan 8.270 nan 0.000 0.446 325 I N 0.672 121.333 120.570 0.152 0.000 2.142 325 I HA -0.301 3.036 4.170 -1.388 0.000 0.240 325 I C 2.277 178.492 176.117 0.165 0.000 1.078 325 I CA 1.158 62.557 61.300 0.166 0.000 1.343 325 I CB -0.376 37.724 38.000 0.166 0.000 1.046 325 I HN 0.126 nan 8.210 nan 0.000 0.405 326 I N 1.077 121.690 120.570 0.072 0.000 2.151 326 I HA -0.291 3.046 4.170 -1.388 0.000 0.243 326 I C 2.309 178.343 176.117 -0.137 0.000 1.080 326 I CA 1.903 63.110 61.300 -0.155 0.000 1.339 326 I CB -1.032 36.934 38.000 -0.057 0.000 1.039 326 I HN 0.366 nan 8.210 nan 0.000 0.409 327 E N 0.100 120.289 120.200 -0.018 0.000 2.478 327 E HA -0.056 3.461 4.350 -1.388 0.000 0.198 327 E C 0.981 177.589 176.600 0.014 0.000 1.046 327 E CA -0.083 56.313 56.400 -0.007 0.000 0.870 327 E CB 0.032 29.742 29.700 0.016 0.000 0.818 327 E HN 0.201 nan 8.360 nan 0.000 0.527 328 S N 1.088 116.826 115.700 0.063 0.000 2.549 328 S HA -0.034 3.603 4.470 -1.388 0.000 0.286 328 S C 1.215 175.828 174.600 0.020 0.000 1.314 328 S CA -0.385 57.858 58.200 0.071 0.000 1.062 328 S CB 0.524 63.827 63.200 0.172 0.000 0.865 328 S HN -0.005 nan 8.310 nan 0.000 0.498 329 K N 3.865 124.183 120.400 -0.137 0.000 2.281 329 K HA -0.081 3.406 4.320 -1.388 0.000 0.203 329 K C 0.830 177.341 176.600 -0.148 0.000 1.046 329 K CA 1.346 57.503 56.287 -0.218 0.000 0.938 329 K CB -0.344 31.914 32.500 -0.404 0.000 0.737 329 K HN 0.700 nan 8.250 nan 0.000 0.458 330 F N -1.101 118.922 119.950 0.122 0.000 2.765 330 F HA 0.066 3.760 4.527 -1.389 0.000 0.302 330 F C 1.912 177.683 175.800 -0.049 0.000 1.111 330 F CA -0.968 57.084 58.000 0.088 0.000 1.359 330 F CB -0.790 38.342 39.000 0.221 0.000 1.097 330 F HN 0.007 nan 8.300 nan 0.000 0.577 331 Y N 2.399 122.722 120.300 0.038 0.000 2.114 331 Y HA -0.315 3.402 4.550 -1.389 0.000 0.282 331 Y C 2.129 177.958 175.900 -0.118 0.000 1.165 331 Y CA 2.231 60.278 58.100 -0.089 0.000 1.148 331 Y CB -0.371 38.045 38.460 -0.073 0.000 0.972 331 Y HN 0.193 nan 8.280 nan 0.000 0.504 332 D N -0.484 119.909 120.400 -0.011 0.000 2.363 332 D HA -0.098 3.710 4.640 -1.388 0.000 0.226 332 D C 1.378 177.611 176.300 -0.112 0.000 1.020 332 D CA 0.762 54.726 54.000 -0.060 0.000 0.892 332 D CB -0.805 40.056 40.800 0.101 0.000 0.900 332 D HN 0.521 nan 8.370 nan 0.000 0.531 333 L N 0.131 121.268 121.223 -0.143 0.000 2.446 333 L HA 0.131 3.638 4.340 -1.388 0.000 0.219 333 L C 1.250 177.957 176.870 -0.271 0.000 1.116 333 L CA 0.438 55.209 54.840 -0.115 0.000 0.844 333 L CB -0.492 41.546 42.059 -0.034 0.000 0.970 333 L HN 0.077 nan 8.230 nan 0.000 0.457 334 T N -1.884 112.328 114.554 -0.570 0.000 2.847 334 T HA 0.552 4.070 4.350 -1.388 0.000 0.279 334 T C 0.200 174.630 174.700 -0.450 0.000 0.984 334 T CA -0.293 61.381 62.100 -0.710 0.000 0.988 334 T CB 1.962 70.230 68.868 -0.998 0.000 1.040 334 T HN 0.218 nan 8.240 nan 0.000 0.528 335 S N -0.770 114.722 115.700 -0.346 0.000 2.752 335 S HA 0.437 4.074 4.470 -1.388 0.000 0.284 335 S C 0.772 175.265 174.600 -0.177 0.000 1.189 335 S CA -1.014 57.057 58.200 -0.214 0.000 0.835 335 S CB 1.579 64.717 63.200 -0.102 0.000 1.192 335 S HN 0.823 nan 8.310 nan 0.000 0.506 336 K N 0.051 120.399 120.400 -0.086 0.000 2.063 336 K HA 0.004 3.491 4.320 -1.388 0.000 0.208 336 K C 1.611 178.204 176.600 -0.012 0.000 1.048 336 K CA 1.551 57.818 56.287 -0.032 0.000 0.928 336 K CB -0.625 31.894 32.500 0.032 0.000 0.713 336 K HN 0.722 nan 8.250 nan 0.000 0.442 337 A N 0.493 123.312 122.820 -0.002 0.000 2.379 337 A HA 0.173 3.660 4.320 -1.388 0.000 0.236 337 A C 0.102 177.698 177.584 0.021 0.000 1.272 337 A CA -0.212 51.842 52.037 0.029 0.000 0.886 337 A CB 0.166 19.195 19.000 0.049 0.000 0.962 337 A HN 0.145 nan 8.150 nan 0.000 0.504 338 S N 1.454 117.137 115.700 -0.028 0.000 2.552 338 S HA 0.142 3.779 4.470 -1.388 0.000 0.289 338 S C 0.487 175.099 174.600 0.020 0.000 1.304 338 S CA 0.280 58.483 58.200 0.006 0.000 1.063 338 S CB 0.296 63.385 63.200 -0.184 0.000 0.848 338 S HN 0.496 nan 8.310 nan 0.000 0.499 339 T N 4.758 119.356 114.554 0.075 0.000 2.751 339 T HA 0.296 3.813 4.350 -1.388 0.000 0.290 339 T C 0.105 174.880 174.700 0.124 0.000 0.919 339 T CA 0.167 62.249 62.100 -0.029 0.000 1.136 339 T CB -0.618 68.168 68.868 -0.137 0.000 0.875 339 T HN 0.378 nan 8.240 nan 0.000 0.532 340 I N 4.857 125.464 120.570 0.061 0.000 2.418 340 I HA 0.390 3.727 4.170 -1.388 0.000 0.287 340 I C -0.445 175.738 176.117 0.109 0.000 1.008 340 I CA -1.011 60.364 61.300 0.125 0.000 1.104 340 I CB 1.635 39.664 38.000 0.049 0.000 1.264 340 I HN 0.340 nan 8.210 nan 0.000 0.438 341 I N 6.983 127.634 120.570 0.136 0.000 2.321 341 I HA 0.392 3.729 4.170 -1.388 0.000 0.291 341 I C -0.056 176.141 176.117 0.133 0.000 0.998 341 I CA -0.774 60.601 61.300 0.125 0.000 1.227 341 I CB 1.476 39.553 38.000 0.128 0.000 1.368 341 I HN 0.160 nan 8.210 nan 0.000 0.466 342 V N 5.341 125.327 119.914 0.121 0.000 2.417 342 V HA 0.494 3.781 4.120 -1.388 0.000 0.291 342 V C 0.693 176.853 176.094 0.110 0.000 1.024 342 V CA -0.946 61.428 62.300 0.123 0.000 0.861 342 V CB 1.637 33.552 31.823 0.153 0.000 0.985 342 V HN 0.863 nan 8.190 nan 0.000 0.436 343 A N 4.008 126.891 122.820 0.104 0.000 2.489 343 A HA 0.320 3.807 4.320 -1.388 0.000 0.289 343 A C 0.583 178.234 177.584 0.112 0.000 1.216 343 A CA 0.056 52.158 52.037 0.108 0.000 0.883 343 A CB -0.501 18.531 19.000 0.054 0.000 1.110 343 A HN 0.782 nan 8.150 nan 0.000 0.523 344 N N 2.224 121.009 118.700 0.142 0.000 2.416 344 N HA 0.235 4.142 4.740 -1.388 0.000 0.267 344 N C -0.529 175.111 175.510 0.217 0.000 1.294 344 N CA 0.030 53.143 53.050 0.105 0.000 0.891 344 N CB 0.313 38.769 38.487 -0.052 0.000 1.238 344 N HN 0.635 nan 8.380 nan 0.000 0.508 345 L N 0.628 121.978 121.223 0.212 0.000 2.439 345 L HA 0.330 3.837 4.340 -1.388 0.000 0.261 345 L C 1.149 178.046 176.870 0.045 0.000 1.153 345 L CA -0.515 54.436 54.840 0.184 0.000 0.808 345 L CB 0.676 42.824 42.059 0.149 0.000 1.126 345 L HN 0.099 nan 8.230 nan 0.000 0.460 346 S N -0.551 115.010 115.700 -0.232 0.000 2.596 346 S HA 0.045 3.682 4.470 -1.388 0.000 0.260 346 S C 0.486 174.970 174.600 -0.193 0.000 1.336 346 S CA -0.735 57.203 58.200 -0.436 0.000 0.993 346 S CB 0.797 63.601 63.200 -0.661 0.000 0.923 346 S HN 0.581 nan 8.310 nan 0.000 0.567 347 D N 2.051 122.346 120.400 -0.175 0.000 2.104 347 D HA -0.031 3.777 4.640 -1.388 0.000 0.194 347 D C -0.621 175.597 176.300 -0.136 0.000 0.994 347 D CA 1.428 55.348 54.000 -0.133 0.000 0.830 347 D CB -2.047 38.672 40.800 -0.135 0.000 0.959 347 D HN 0.462 nan 8.370 nan 0.000 0.452 348 P HA -0.086 nan 4.420 nan 0.000 0.215 348 P C 1.271 178.527 177.300 -0.075 0.000 1.157 348 P CA 1.969 65.000 63.100 -0.116 0.000 0.868 348 P CB -0.083 31.548 31.700 -0.115 0.000 0.788 349 A N -0.353 122.428 122.820 -0.064 0.000 1.969 349 A HA -0.200 3.288 4.320 -1.388 0.000 0.218 349 A C 2.390 179.963 177.584 -0.018 0.000 1.169 349 A CA 1.420 53.453 52.037 -0.007 0.000 0.635 349 A CB -1.122 17.900 19.000 0.037 0.000 0.810 349 A HN 0.015 nan 8.150 nan 0.000 0.445 350 R N -0.343 120.129 120.500 -0.048 0.000 2.096 350 R HA -0.119 3.389 4.340 -1.388 0.000 0.235 350 R C 2.249 178.468 176.300 -0.135 0.000 1.127 350 R CA 1.291 57.346 56.100 -0.075 0.000 0.968 350 R CB -0.375 29.882 30.300 -0.072 0.000 0.861 350 R HN 0.458 nan 8.270 nan 0.000 0.440 351 A N 1.497 124.247 122.820 -0.117 0.000 1.978 351 A HA -0.193 3.294 4.320 -1.388 0.000 0.220 351 A C 1.321 178.816 177.584 -0.149 0.000 1.170 351 A CA 1.885 53.845 52.037 -0.127 0.000 0.636 351 A CB -0.304 18.642 19.000 -0.091 0.000 0.810 351 A HN 0.693 nan 8.150 nan 0.000 0.448 352 N N -2.327 116.302 118.700 -0.118 0.000 2.184 352 N HA 0.089 3.996 4.740 -1.388 0.000 0.234 352 N C -0.762 174.702 175.510 -0.078 0.000 1.282 352 N CA 0.300 53.291 53.050 -0.097 0.000 0.877 352 N CB -0.175 38.301 38.487 -0.018 0.000 1.184 352 N HN 0.043 nan 8.380 nan 0.000 0.510 353 T N 0.749 115.237 114.554 -0.110 0.000 2.792 353 T HA 0.325 3.842 4.350 -1.388 0.000 0.280 353 T C -0.919 173.703 174.700 -0.130 0.000 0.990 353 T CA -0.373 61.737 62.100 0.018 0.000 0.960 353 T CB 0.817 69.786 68.868 0.167 0.000 0.939 353 T HN 0.121 nan 8.240 nan 0.000 0.439 354 W N 2.686 124.016 121.300 0.049 0.000 2.388 354 W HA 0.432 4.260 4.660 -1.387 0.000 0.308 354 W C -0.091 176.295 176.519 -0.222 0.000 1.263 354 W CA -0.749 56.565 57.345 -0.051 0.000 1.286 354 W CB 0.231 29.675 29.460 -0.028 0.000 1.294 354 W HN 0.326 nan 8.180 nan 0.000 0.493 355 V N 5.585 125.339 119.914 -0.266 0.000 2.479 355 V HA 0.133 3.420 4.120 -1.388 0.000 0.281 355 V C 0.271 176.047 176.094 -0.530 0.000 1.031 355 V CA -0.114 61.656 62.300 -0.882 0.000 1.038 355 V CB -0.215 31.304 31.823 -0.506 0.000 0.981 355 V HN 0.626 nan 8.190 nan 0.000 0.478 356 Q N 2.537 121.927 119.800 -0.682 0.000 2.575 356 Q HA 0.450 3.957 4.340 -1.388 0.000 0.290 356 Q C -1.411 174.684 176.000 0.157 0.000 0.963 356 Q CA -1.027 54.722 55.803 -0.090 0.000 0.783 356 Q CB 1.830 30.603 28.738 0.058 0.000 1.467 356 Q HN 0.440 nan 8.270 nan 0.000 0.402 357 D N 1.362 121.893 120.400 0.219 0.000 2.374 357 D HA 0.193 4.000 4.640 -1.388 0.000 0.240 357 D C 0.345 176.854 176.300 0.348 0.000 1.229 357 D CA -0.105 54.106 54.000 0.351 0.000 0.895 357 D CB 0.535 41.518 40.800 0.304 0.000 1.046 357 D HN 0.638 nan 8.370 nan 0.000 0.498 358 L N 3.313 124.809 121.223 0.454 0.000 2.395 358 L HA 0.029 3.536 4.340 -1.388 0.000 0.218 358 L C 1.267 178.233 176.870 0.160 0.000 1.130 358 L CA 0.148 55.132 54.840 0.240 0.000 0.826 358 L CB -0.620 41.481 42.059 0.070 0.000 0.941 358 L HN 0.606 nan 8.230 nan 0.000 0.451 359 N N 0.401 119.256 118.700 0.258 0.000 2.714 359 N HA -0.235 3.673 4.740 -1.388 0.000 0.250 359 N C 0.399 175.901 175.510 -0.012 0.000 1.117 359 N CA 0.138 53.200 53.050 0.019 0.000 0.719 359 N CB -0.393 38.023 38.487 -0.119 0.000 1.081 359 N HN 0.256 nan 8.380 nan 0.000 0.557 360 R N 1.143 121.675 120.500 0.053 0.000 2.491 360 R HA 0.064 3.571 4.340 -1.388 0.000 0.283 360 R C 0.024 176.304 176.300 -0.033 0.000 1.072 360 R CA -0.036 56.025 56.100 -0.066 0.000 1.048 360 R CB 0.317 30.426 30.300 -0.318 0.000 0.983 360 R HN 0.299 nan 8.270 nan 0.000 0.450 361 N N 0.624 119.256 118.700 -0.112 0.000 2.696 361 N HA -0.239 3.668 4.740 -1.388 0.000 0.256 361 N C -1.510 173.836 175.510 -0.274 0.000 1.031 361 N CA 1.417 54.315 53.050 -0.252 0.000 0.730 361 N CB -0.783 37.397 38.487 -0.513 0.000 0.894 361 N HN 0.712 nan 8.380 nan 0.000 0.544 362 A N -0.464 122.262 122.820 -0.157 0.000 2.599 362 A HA 0.477 3.964 4.320 -1.388 0.000 0.294 362 A C -0.423 177.094 177.584 -0.112 0.000 1.055 362 A CA -0.879 51.092 52.037 -0.109 0.000 0.683 362 A CB 1.135 20.109 19.000 -0.044 0.000 1.278 362 A HN 0.138 nan 8.150 nan 0.000 0.412 363 E N 0.781 120.945 120.200 -0.060 0.000 2.408 363 E HA 0.279 3.797 4.350 -1.388 0.000 0.259 363 E C -0.225 176.323 176.600 -0.087 0.000 1.110 363 E CA -0.009 56.365 56.400 -0.043 0.000 0.929 363 E CB 0.367 30.073 29.700 0.011 0.000 0.971 363 E HN 0.570 nan 8.360 nan 0.000 0.438 364 T N 2.251 116.773 114.554 -0.053 0.000 2.871 364 T HA -0.029 3.489 4.350 -1.388 0.000 0.296 364 T C -0.095 174.631 174.700 0.042 0.000 0.998 364 T CA 0.315 62.383 62.100 -0.052 0.000 1.162 364 T CB -0.221 68.646 68.868 -0.002 0.000 0.947 364 T HN 0.278 nan 8.240 nan 0.000 0.536 365 H N 2.909 122.021 119.070 0.070 0.000 2.886 365 H HA 0.196 3.919 4.556 -1.389 0.000 0.329 365 H C 0.439 175.812 175.328 0.075 0.000 1.044 365 H CA -0.595 55.502 56.048 0.081 0.000 1.456 365 H CB 0.573 30.393 29.762 0.098 0.000 1.464 365 H HN 0.175 nan 8.280 nan 0.000 0.573 366 K N 2.150 122.672 120.400 0.204 0.000 2.208 366 K HA 0.462 3.949 4.320 -1.388 0.000 0.247 366 K C 0.723 177.401 176.600 0.129 0.000 0.953 366 K CA -0.227 56.143 56.287 0.138 0.000 0.837 366 K CB 1.952 34.518 32.500 0.109 0.000 1.131 366 K HN 0.949 nan 8.250 nan 0.000 0.431 367 G N 0.900 109.769 108.800 0.114 0.000 2.645 367 G HA2 -0.249 2.878 3.960 -1.388 0.000 0.239 367 G HA3 -0.249 2.878 3.960 -1.388 0.000 0.239 367 G C -0.441 174.520 174.900 0.102 0.000 1.331 367 G CA -0.342 44.828 45.100 0.116 0.000 0.890 367 G HN 0.501 nan 8.290 nan 0.000 0.572 368 S N -0.388 115.371 115.700 0.099 0.000 2.593 368 S HA 0.626 4.263 4.470 -1.388 0.000 0.269 368 S C 0.400 174.972 174.600 -0.045 0.000 1.334 368 S CA 0.552 58.761 58.200 0.014 0.000 1.015 368 S CB 1.310 64.547 63.200 0.062 0.000 0.912 368 S HN 0.949 nan 8.310 nan 0.000 0.541 369 T N 2.382 116.837 114.554 -0.166 0.000 2.824 369 T HA 0.521 4.038 4.350 -1.388 0.000 0.282 369 T C -0.928 173.609 174.700 -0.271 0.000 0.993 369 T CA -0.300 61.746 62.100 -0.090 0.000 0.967 369 T CB 0.270 69.136 68.868 -0.003 0.000 0.960 369 T HN 0.346 nan 8.240 nan 0.000 0.441 370 F N 2.836 122.816 119.950 0.051 0.000 2.427 370 F HA 0.579 4.273 4.527 -1.389 0.000 0.346 370 F C 0.337 176.187 175.800 0.084 0.000 1.120 370 F CA -1.099 56.929 58.000 0.046 0.000 1.033 370 F CB 0.925 39.928 39.000 0.005 0.000 1.126 370 F HN 0.286 nan 8.300 nan 0.000 0.462 371 I N 5.353 126.068 120.570 0.242 0.000 2.382 371 I HA 0.359 3.696 4.170 -1.388 0.000 0.286 371 I C -0.823 175.456 176.117 0.269 0.000 1.002 371 I CA -0.679 60.747 61.300 0.210 0.000 1.135 371 I CB 1.427 39.511 38.000 0.141 0.000 1.288 371 I HN 0.356 nan 8.210 nan 0.000 0.448 372 I N 5.202 125.907 120.570 0.226 0.000 2.339 372 I HA 0.424 3.761 4.170 -1.388 0.000 0.290 372 I C 0.851 177.060 176.117 0.153 0.000 0.994 372 I CA -0.124 61.311 61.300 0.225 0.000 1.191 372 I CB 1.144 39.271 38.000 0.212 0.000 1.343 372 I HN 0.594 nan 8.210 nan 0.000 0.458 373 G N 4.371 113.257 108.800 0.144 0.000 2.525 373 G HA2 0.511 3.638 3.960 -1.388 0.000 0.287 373 G HA3 0.511 3.638 3.960 -1.388 0.000 0.287 373 G C 0.004 174.945 174.900 0.068 0.000 1.350 373 G CA -0.234 44.912 45.100 0.078 0.000 1.039 373 G HN 0.681 nan 8.290 nan 0.000 0.513 374 S N -1.824 113.897 115.700 0.034 0.000 2.767 374 S HA 0.356 3.993 4.470 -1.388 0.000 0.300 374 S C 0.115 174.729 174.600 0.023 0.000 1.123 374 S CA -0.521 57.699 58.200 0.034 0.000 0.992 374 S CB 1.933 65.147 63.200 0.023 0.000 1.138 374 S HN 0.318 nan 8.310 nan 0.000 0.550 375 D N 0.716 121.130 120.400 0.023 0.000 2.349 375 D HA 0.278 4.086 4.640 -1.388 0.000 0.224 375 D C 0.266 176.567 176.300 0.001 0.000 1.029 375 D CA 0.379 54.389 54.000 0.016 0.000 0.879 375 D CB 0.099 40.910 40.800 0.020 0.000 0.906 375 D HN 0.370 nan 8.370 nan 0.000 0.528 376 S N 0.153 115.847 115.700 -0.010 0.000 2.748 376 S HA 0.310 3.947 4.470 -1.388 0.000 0.299 376 S C 0.097 174.665 174.600 -0.053 0.000 1.119 376 S CA -0.839 57.344 58.200 -0.027 0.000 0.997 376 S CB 0.851 64.034 63.200 -0.029 0.000 1.223 376 S HN 0.031 nan 8.310 nan 0.000 0.541 377 N N 3.055 121.712 118.700 -0.073 0.000 2.416 377 N HA 0.233 4.140 4.740 -1.388 0.000 0.265 377 N C -0.991 174.423 175.510 -0.160 0.000 1.195 377 N CA 0.212 53.195 53.050 -0.112 0.000 0.943 377 N CB -0.043 38.380 38.487 -0.108 0.000 1.115 377 N HN 0.443 nan 8.380 nan 0.000 0.481 378 D N 1.511 121.785 120.400 -0.209 0.000 2.272 378 D HA 0.394 4.201 4.640 -1.388 0.000 0.247 378 D C 0.122 176.171 176.300 -0.418 0.000 0.990 378 D CA -0.405 53.434 54.000 -0.268 0.000 0.931 378 D CB 2.003 42.672 40.800 -0.218 0.000 1.195 378 D HN 0.199 nan 8.370 nan 0.000 0.477 379 L N 1.843 122.752 121.223 -0.523 0.000 2.294 379 L HA 0.490 3.998 4.340 -1.388 0.000 0.283 379 L C -0.282 176.341 176.870 -0.410 0.000 1.015 379 L CA -0.507 53.817 54.840 -0.860 0.000 0.831 379 L CB 1.038 42.104 42.059 -1.654 0.000 1.217 379 L HN 0.141 nan 8.230 nan 0.000 0.420 380 I N 3.358 123.861 120.570 -0.110 0.000 2.418 380 I HA 0.284 3.621 4.170 -1.388 0.000 0.287 380 I C -0.447 175.900 176.117 0.383 0.000 1.008 380 I CA -0.539 60.821 61.300 0.099 0.000 1.104 380 I CB 2.156 40.154 38.000 -0.003 0.000 1.264 380 I HN 0.537 nan 8.210 nan 0.000 0.438 381 Q N 5.411 125.398 119.800 0.312 0.000 2.357 381 Q HA 0.565 4.072 4.340 -1.388 0.000 0.266 381 Q C -0.408 175.646 176.000 0.090 0.000 1.021 381 Q CA -0.437 55.471 55.803 0.173 0.000 0.784 381 Q CB 1.795 30.583 28.738 0.084 0.000 1.243 381 Q HN 0.761 nan 8.270 nan 0.000 0.465 382 G N 1.880 110.726 108.800 0.077 0.000 2.476 382 G HA2 0.537 3.665 3.960 -1.388 0.000 0.269 382 G HA3 0.537 3.665 3.960 -1.388 0.000 0.269 382 G C -0.007 174.899 174.900 0.009 0.000 1.195 382 G CA -0.194 44.927 45.100 0.035 0.000 0.843 382 G HN 0.729 nan 8.290 nan 0.000 0.545 383 G N -0.924 107.881 108.800 0.008 0.000 2.532 383 G HA2 0.391 3.518 3.960 -1.388 0.000 0.291 383 G HA3 0.391 3.518 3.960 -1.388 0.000 0.291 383 G C 1.271 176.166 174.900 -0.009 0.000 1.349 383 G CA 0.552 45.658 45.100 0.009 0.000 1.038 383 G HN 1.102 nan 8.290 nan 0.000 0.518 384 S N -1.395 114.303 115.700 -0.003 0.000 2.562 384 S HA 0.236 3.873 4.470 -1.388 0.000 0.221 384 S C 1.277 175.873 174.600 -0.006 0.000 0.975 384 S CA 0.458 58.651 58.200 -0.012 0.000 0.918 384 S CB -0.132 63.064 63.200 -0.007 0.000 0.772 384 S HN 0.843 nan 8.310 nan 0.000 0.531 385 G N 1.560 110.364 108.800 0.006 0.000 2.574 385 G HA2 0.407 3.534 3.960 -1.388 0.000 0.248 385 G HA3 0.407 3.534 3.960 -1.388 0.000 0.248 385 G C -0.565 174.326 174.900 -0.016 0.000 1.422 385 G CA -0.930 44.180 45.100 0.018 0.000 1.051 385 G HN 0.370 nan 8.290 nan 0.000 0.560 386 N N 1.023 119.713 118.700 -0.017 0.000 2.472 386 N HA 0.392 4.300 4.740 -1.388 0.000 0.277 386 N C -1.402 173.966 175.510 -0.238 0.000 1.081 386 N CA -0.004 52.984 53.050 -0.103 0.000 0.973 386 N CB 1.656 40.123 38.487 -0.034 0.000 1.105 386 N HN 0.357 nan 8.380 nan 0.000 0.470 387 D N 0.478 120.630 120.400 -0.414 0.000 2.732 387 D HA 0.330 4.137 4.640 -1.388 0.000 0.229 387 D C -1.101 174.727 176.300 -0.787 0.000 1.152 387 D CA -0.325 53.414 54.000 -0.434 0.000 0.854 387 D CB 1.296 41.971 40.800 -0.209 0.000 1.590 387 D HN 0.342 nan 8.370 nan 0.000 0.468 388 Y N 1.180 121.142 120.300 -0.564 0.000 2.376 388 Y HA 0.428 4.145 4.550 -1.389 0.000 0.326 388 Y C -0.595 175.055 175.900 -0.417 0.000 0.970 388 Y CA -0.818 56.772 58.100 -0.850 0.000 1.248 388 Y CB 0.958 38.492 38.460 -1.543 0.000 1.117 388 Y HN 0.094 nan 8.280 nan 0.000 0.476 389 L N 3.660 124.912 121.223 0.048 0.000 2.305 389 L HA 0.521 4.028 4.340 -1.388 0.000 0.284 389 L C -0.309 176.895 176.870 0.558 0.000 1.013 389 L CA -0.582 54.446 54.840 0.313 0.000 0.819 389 L CB 1.929 44.135 42.059 0.244 0.000 1.227 389 L HN 0.574 nan 8.230 nan 0.000 0.417 390 E N 1.629 122.191 120.200 0.604 0.000 2.182 390 E HA 0.316 3.833 4.350 -1.388 0.000 0.258 390 E C 0.610 177.446 176.600 0.393 0.000 0.879 390 E CA -0.309 56.366 56.400 0.458 0.000 0.754 390 E CB 1.835 31.743 29.700 0.346 0.000 1.162 390 E HN 0.750 nan 8.360 nan 0.000 0.419 391 G N 3.839 112.919 108.800 0.466 0.000 2.408 391 G HA2 -0.095 3.032 3.960 -1.388 0.000 0.215 391 G HA3 -0.095 3.032 3.960 -1.388 0.000 0.215 391 G C 0.534 175.522 174.900 0.147 0.000 1.156 391 G CA 0.395 45.690 45.100 0.324 0.000 0.793 391 G HN 0.709 nan 8.290 nan 0.000 0.535 392 R N -1.005 119.573 120.500 0.130 0.000 3.819 392 R HA -0.159 3.348 4.340 -1.388 0.000 0.488 392 R C 0.787 177.121 176.300 0.055 0.000 0.241 392 R CA 0.330 56.473 56.100 0.070 0.000 1.530 392 R CB -1.528 28.808 30.300 0.059 0.000 1.019 392 R HN 0.663 nan 8.270 nan 0.000 0.557 393 A N 0.305 123.145 122.820 0.033 0.000 2.346 393 A HA 0.529 4.016 4.320 -1.388 0.000 0.255 393 A C 0.780 178.371 177.584 0.010 0.000 1.113 393 A CA 0.710 52.760 52.037 0.022 0.000 0.798 393 A CB -0.194 18.815 19.000 0.014 0.000 1.073 393 A HN 1.696 nan 8.150 nan 0.000 0.502 394 G N -0.197 108.604 108.800 0.001 0.000 2.699 394 G HA2 -0.064 3.063 3.960 -1.388 0.000 0.686 394 G HA3 -0.064 3.063 3.960 -1.388 0.000 0.686 394 G C -0.831 174.059 174.900 -0.017 0.000 1.301 394 G CA -0.402 44.688 45.100 -0.017 0.000 0.816 394 G HN 0.996 nan 8.290 nan 0.000 0.595 395 N N 2.030 120.710 118.700 -0.034 0.000 2.415 395 N HA 0.370 4.278 4.740 -1.388 0.000 0.246 395 N C -0.677 174.784 175.510 -0.081 0.000 1.078 395 N CA -0.105 52.925 53.050 -0.033 0.000 0.942 395 N CB 0.966 39.435 38.487 -0.030 0.000 1.140 395 N HN 0.519 nan 8.380 nan 0.000 0.501 396 D N 0.862 121.207 120.400 -0.090 0.000 2.248 396 D HA 0.372 4.180 4.640 -1.388 0.000 0.246 396 D C -0.104 176.021 176.300 -0.292 0.000 1.027 396 D CA -0.100 53.736 54.000 -0.273 0.000 0.853 396 D CB 1.808 42.353 40.800 -0.425 0.000 1.243 396 D HN 0.199 nan 8.370 nan 0.000 0.462 397 T N 1.246 115.565 114.554 -0.391 0.000 2.829 397 T HA 0.534 4.051 4.350 -1.388 0.000 0.280 397 T C -0.420 174.145 174.700 -0.224 0.000 0.999 397 T CA -0.532 61.468 62.100 -0.167 0.000 0.983 397 T CB 0.611 69.462 68.868 -0.028 0.000 0.968 397 T HN 0.109 nan 8.240 nan 0.000 0.446 398 F N 1.529 121.599 119.950 0.200 0.000 2.508 398 F HA 0.714 4.409 4.527 -1.387 0.000 0.325 398 F C 0.762 176.675 175.800 0.189 0.000 1.090 398 F CA -1.106 57.020 58.000 0.210 0.000 0.945 398 F CB 1.899 40.961 39.000 0.103 0.000 1.156 398 F HN 0.228 nan 8.300 nan 0.000 0.463 399 R N 0.616 121.302 120.500 0.310 0.000 2.836 399 R HA 0.645 4.153 4.340 -1.388 0.000 0.269 399 R C -1.979 174.358 176.300 0.062 0.000 1.010 399 R CA -1.190 54.950 56.100 0.067 0.000 0.930 399 R CB 2.648 32.818 30.300 -0.216 0.000 1.218 399 R HN 0.720 nan 8.270 nan 0.000 0.473 400 D N -1.353 119.047 120.400 0.001 0.000 2.769 400 D HA 0.252 4.060 4.640 -1.388 0.000 0.219 400 D C -0.252 176.036 176.300 -0.019 0.000 1.245 400 D CA -0.361 53.636 54.000 -0.005 0.000 0.801 400 D CB 1.626 42.422 40.800 -0.007 0.000 1.598 400 D HN 0.584 nan 8.370 nan 0.000 0.485 401 G N 1.213 109.997 108.800 -0.027 0.000 3.284 401 G HA2 0.565 3.692 3.960 -1.388 0.000 0.236 401 G HA3 0.565 3.692 3.960 -1.388 0.000 0.236 401 G C 0.693 175.577 174.900 -0.027 0.000 1.158 401 G CA 0.385 45.470 45.100 -0.026 0.000 0.774 401 G HN 0.844 nan 8.290 nan 0.000 0.545 402 G N -2.017 106.761 108.800 -0.037 0.000 2.334 402 G HA2 0.513 3.640 3.960 -1.388 0.000 0.315 402 G HA3 0.513 3.640 3.960 -1.388 0.000 0.315 402 G C 0.396 175.230 174.900 -0.110 0.000 1.284 402 G CA 0.266 45.324 45.100 -0.070 0.000 0.985 402 G HN 1.931 nan 8.290 nan 0.000 0.504 403 G N -1.527 107.172 108.800 -0.168 0.000 2.598 403 G HA2 0.187 3.314 3.960 -1.388 0.000 0.244 403 G HA3 0.187 3.314 3.960 -1.388 0.000 0.244 403 G C -0.352 174.296 174.900 -0.419 0.000 1.302 403 G CA 0.382 45.362 45.100 -0.200 0.000 0.903 403 G HN 1.768 nan 8.290 nan 0.000 0.575 404 Y N 1.746 122.000 120.300 -0.076 0.000 2.341 404 Y HA 0.630 4.347 4.550 -1.388 0.000 0.337 404 Y C 0.755 176.523 175.900 -0.220 0.000 1.014 404 Y CA -0.725 57.314 58.100 -0.101 0.000 1.111 404 Y CB 1.796 40.217 38.460 -0.065 0.000 1.194 404 Y HN 0.589 nan 8.280 nan 0.000 0.462 405 N N 1.482 120.103 118.700 -0.132 0.000 2.329 405 N HA 0.560 4.467 4.740 -1.388 0.000 0.282 405 N C -1.780 173.571 175.510 -0.264 0.000 1.198 405 N CA -0.707 52.161 53.050 -0.303 0.000 0.790 405 N CB 2.763 41.117 38.487 -0.221 0.000 1.579 405 N HN 0.235 nan 8.380 nan 0.000 0.475 406 V N 1.729 121.418 119.914 -0.375 0.000 2.448 406 V HA 0.550 3.838 4.120 -1.388 0.000 0.295 406 V C -0.127 175.953 176.094 -0.024 0.000 1.025 406 V CA -0.628 61.618 62.300 -0.090 0.000 0.859 406 V CB 1.488 33.420 31.823 0.182 0.000 0.988 406 V HN 0.527 nan 8.190 nan 0.000 0.431 407 I N 5.919 126.452 120.570 -0.062 0.000 2.411 407 I HA 0.425 3.763 4.170 -1.388 0.000 0.284 407 I C -0.759 175.228 176.117 -0.218 0.000 1.012 407 I CA -0.327 60.843 61.300 -0.216 0.000 1.119 407 I CB 1.602 39.342 38.000 -0.433 0.000 1.261 407 I HN 0.351 nan 8.210 nan 0.000 0.448 408 L N 5.786 126.951 121.223 -0.097 0.000 2.283 408 L HA 0.389 3.896 4.340 -1.388 0.000 0.281 408 L C 1.482 178.326 176.870 -0.044 0.000 1.033 408 L CA -0.255 54.542 54.840 -0.071 0.000 0.848 408 L CB 1.485 43.507 42.059 -0.061 0.000 1.226 408 L HN 0.792 nan 8.230 nan 0.000 0.429 409 G N 2.101 110.868 108.800 -0.055 0.000 2.422 409 G HA2 0.167 3.295 3.960 -1.388 0.000 0.218 409 G HA3 0.167 3.295 3.960 -1.388 0.000 0.218 409 G C 0.880 175.886 174.900 0.177 0.000 1.146 409 G CA 0.710 45.912 45.100 0.170 0.000 0.769 409 G HN 0.897 nan 8.290 nan 0.000 0.547 410 G N -0.556 108.288 108.800 0.073 0.000 2.645 410 G HA2 0.261 3.388 3.960 -1.388 0.000 0.239 410 G HA3 0.261 3.388 3.960 -1.388 0.000 0.239 410 G C 0.479 175.404 174.900 0.042 0.000 1.331 410 G CA 0.254 45.383 45.100 0.048 0.000 0.890 410 G HN 1.505 nan 8.290 nan 0.000 0.572 411 A N -0.508 122.331 122.820 0.031 0.000 2.475 411 A HA 0.794 4.281 4.320 -1.388 0.000 0.239 411 A C 1.885 179.487 177.584 0.031 0.000 1.087 411 A CA 2.305 54.356 52.037 0.023 0.000 0.779 411 A CB -0.288 18.721 19.000 0.015 0.000 1.036 411 A HN 3.039 nan 8.150 nan 0.000 0.506 412 G N 0.300 109.113 108.800 0.021 0.000 2.685 412 G HA2 -0.113 3.014 3.960 -1.388 0.000 0.387 412 G HA3 -0.113 3.014 3.960 -1.388 0.000 0.387 412 G C -0.690 174.225 174.900 0.025 0.000 1.324 412 G CA -0.272 44.840 45.100 0.020 0.000 0.878 412 G HN 1.059 nan 8.290 nan 0.000 0.527 413 N N 2.231 120.943 118.700 0.020 0.000 2.462 413 N HA 0.318 4.225 4.740 -1.388 0.000 0.242 413 N C -0.414 175.120 175.510 0.040 0.000 1.010 413 N CA -0.358 52.707 53.050 0.025 0.000 0.939 413 N CB 0.614 39.108 38.487 0.011 0.000 1.127 413 N HN 0.536 nan 8.380 nan 0.000 0.509 414 N N 0.854 119.599 118.700 0.074 0.000 2.384 414 N HA 0.464 4.372 4.740 -1.388 0.000 0.301 414 N C -0.499 175.095 175.510 0.140 0.000 1.133 414 N CA -0.182 52.950 53.050 0.136 0.000 0.853 414 N CB 1.954 40.592 38.487 0.252 0.000 1.241 414 N HN 0.218 nan 8.380 nan 0.000 0.502 415 T N 0.928 115.595 114.554 0.188 0.000 2.886 415 T HA 0.366 3.883 4.350 -1.388 0.000 0.292 415 T C -0.803 174.053 174.700 0.261 0.000 1.012 415 T CA -0.511 61.684 62.100 0.160 0.000 0.982 415 T CB 1.663 70.590 68.868 0.099 0.000 1.018 415 T HN 0.259 nan 8.240 nan 0.000 0.451 416 L N 3.368 124.694 121.223 0.172 0.000 2.298 416 L HA 0.646 4.153 4.340 -1.388 0.000 0.284 416 L C -0.897 176.026 176.870 0.087 0.000 1.013 416 L CA -0.521 54.415 54.840 0.160 0.000 0.824 416 L CB 1.082 43.174 42.059 0.056 0.000 1.221 416 L HN 0.570 nan 8.230 nan 0.000 0.418 417 D N 4.385 124.850 120.400 0.109 0.000 2.373 417 D HA 0.223 4.030 4.640 -1.388 0.000 0.227 417 D C 0.607 176.907 176.300 -0.001 0.000 1.091 417 D CA -0.136 53.900 54.000 0.059 0.000 0.840 417 D CB 0.902 41.762 40.800 0.100 0.000 1.060 417 D HN 0.659 nan 8.370 nan 0.000 0.502 418 L N 2.726 123.916 121.223 -0.054 0.000 2.418 418 L HA 0.021 3.528 4.340 -1.388 0.000 0.218 418 L C 1.150 178.037 176.870 0.027 0.000 1.125 418 L CA 0.177 54.952 54.840 -0.107 0.000 0.835 418 L CB -0.351 41.467 42.059 -0.402 0.000 0.953 418 L HN 0.588 nan 8.230 nan 0.000 0.454 419 Q N -0.724 119.090 119.800 0.023 0.000 2.393 419 Q HA -0.249 3.258 4.340 -1.388 0.000 0.235 419 Q C -0.165 175.877 176.000 0.071 0.000 0.823 419 Q CA 1.244 57.062 55.803 0.026 0.000 1.284 419 Q CB -1.125 27.602 28.738 -0.018 0.000 1.669 419 Q HN 0.477 nan 8.270 nan 0.000 0.597 420 K N -0.654 119.834 120.400 0.147 0.000 2.495 420 K HA 0.522 4.009 4.320 -1.388 0.000 0.268 420 K C -0.753 175.980 176.600 0.222 0.000 1.008 420 K CA -0.587 55.816 56.287 0.192 0.000 0.882 420 K CB 1.978 34.652 32.500 0.291 0.000 1.443 420 K HN -0.014 nan 8.250 nan 0.000 0.447 421 S N 0.307 116.099 115.700 0.153 0.000 2.562 421 S HA -0.008 3.629 4.470 -1.388 0.000 0.281 421 S C 1.114 175.869 174.600 0.259 0.000 1.333 421 S CA -0.306 57.972 58.200 0.130 0.000 1.052 421 S CB 0.960 64.185 63.200 0.041 0.000 0.884 421 S HN 0.456 nan 8.310 nan 0.000 0.506 422 V N 4.989 125.033 119.914 0.217 0.000 2.982 422 V HA -0.157 3.130 4.120 -1.388 0.000 0.265 422 V C 1.474 177.734 176.094 0.278 0.000 1.122 422 V CA 2.362 64.831 62.300 0.280 0.000 1.143 422 V CB -1.032 30.843 31.823 0.088 0.000 0.726 422 V HN 0.896 nan 8.190 nan 0.000 0.507 423 N N -0.427 118.355 118.700 0.137 0.000 2.463 423 N HA -0.060 3.848 4.740 -1.388 0.000 0.181 423 N C 1.442 176.960 175.510 0.014 0.000 1.078 423 N CA 1.070 54.161 53.050 0.069 0.000 0.902 423 N CB 0.055 38.548 38.487 0.010 0.000 0.970 423 N HN 0.664 nan 8.380 nan 0.000 0.451 424 T N -2.218 112.315 114.554 -0.036 0.000 3.107 424 T HA 0.196 3.714 4.350 -1.388 0.000 0.249 424 T C 0.040 174.402 174.700 -0.564 0.000 1.096 424 T CA 0.027 61.947 62.100 -0.299 0.000 1.012 424 T CB -0.251 68.376 68.868 -0.401 0.000 0.977 424 T HN -0.102 nan 8.240 nan 0.000 0.527 425 F N 1.050 120.947 119.950 -0.089 0.000 2.593 425 F HA 0.629 4.323 4.527 -1.388 0.000 0.320 425 F C -0.439 175.172 175.800 -0.315 0.000 1.060 425 F CA -1.447 56.387 58.000 -0.277 0.000 0.940 425 F CB 1.676 40.389 39.000 -0.480 0.000 1.268 425 F HN -0.080 nan 8.300 nan 0.000 0.475 426 D N 1.234 121.497 120.400 -0.229 0.000 2.350 426 D HA 0.444 4.251 4.640 -1.388 0.000 0.245 426 D C -1.216 174.807 176.300 -0.462 0.000 1.036 426 D CA -0.143 53.761 54.000 -0.160 0.000 0.848 426 D CB 2.019 42.856 40.800 0.060 0.000 1.307 426 D HN 0.132 nan 8.370 nan 0.000 0.469 427 F N 0.761 120.743 119.950 0.054 0.000 2.507 427 F HA 0.652 4.346 4.527 -1.388 0.000 0.325 427 F C 0.398 176.090 175.800 -0.181 0.000 1.116 427 F CA -0.794 57.209 58.000 0.005 0.000 0.930 427 F CB 1.931 41.026 39.000 0.158 0.000 1.146 427 F HN 0.295 nan 8.300 nan 0.000 0.447 428 A N 2.570 125.158 122.820 -0.387 0.000 2.479 428 A HA 0.799 4.286 4.320 -1.388 0.000 0.296 428 A C -1.441 175.817 177.584 -0.543 0.000 1.121 428 A CA -0.688 50.927 52.037 -0.703 0.000 0.743 428 A CB 1.991 19.956 19.000 -1.727 0.000 1.323 428 A HN 0.665 nan 8.150 nan 0.000 0.415 429 N N 0.195 118.537 118.700 -0.597 0.000 2.478 429 N HA 0.197 4.104 4.740 -1.388 0.000 0.291 429 N C -1.206 173.900 175.510 -0.674 0.000 1.090 429 N CA -0.177 52.491 53.050 -0.637 0.000 0.911 429 N CB 1.982 39.827 38.487 -1.069 0.000 1.546 429 N HN 0.664 nan 8.380 nan 0.000 0.500 430 D N 1.927 121.814 120.400 -0.855 0.000 2.340 430 D HA 0.170 3.977 4.640 -1.388 0.000 0.220 430 D C 1.198 177.233 176.300 -0.443 0.000 1.039 430 D CA 0.748 54.046 54.000 -1.170 0.000 0.866 430 D CB -0.189 39.859 40.800 -1.253 0.000 0.913 430 D HN 0.812 nan 8.370 nan 0.000 0.523 431 G N -0.146 108.477 108.800 -0.294 0.000 2.184 431 G HA2 -0.243 2.884 3.960 -1.388 0.000 0.264 431 G HA3 -0.243 2.884 3.960 -1.388 0.000 0.264 431 G C 0.838 175.673 174.900 -0.108 0.000 0.975 431 G CA 0.315 45.328 45.100 -0.145 0.000 0.642 431 G HN 0.940 nan 8.290 nan 0.000 0.536 432 A N -0.417 122.323 122.820 -0.134 0.000 2.574 432 A HA 0.699 4.186 4.320 -1.388 0.000 0.283 432 A C 2.019 179.549 177.584 -0.089 0.000 1.270 432 A CA 1.374 53.361 52.037 -0.083 0.000 0.945 432 A CB -0.284 18.683 19.000 -0.056 0.000 1.127 432 A HN 2.314 nan 8.150 nan 0.000 0.522 433 G N -0.150 108.581 108.800 -0.116 0.000 2.176 433 G HA2 -0.204 2.923 3.960 -1.388 0.000 0.232 433 G HA3 -0.204 2.923 3.960 -1.388 0.000 0.232 433 G C -0.281 174.524 174.900 -0.160 0.000 0.986 433 G CA -0.055 44.979 45.100 -0.111 0.000 0.643 433 G HN 0.471 nan 8.290 nan 0.000 0.522 434 N N 0.310 118.878 118.700 -0.219 0.000 2.426 434 N HA 0.564 4.471 4.740 -1.388 0.000 0.275 434 N C -0.770 174.493 175.510 -0.412 0.000 1.019 434 N CA -0.275 52.555 53.050 -0.366 0.000 0.941 434 N CB 2.204 40.403 38.487 -0.480 0.000 1.123 434 N HN 0.338 nan 8.380 nan 0.000 0.486 435 L N 3.358 124.335 121.223 -0.410 0.000 2.305 435 L HA 0.460 3.967 4.340 -1.388 0.000 0.284 435 L C -1.463 175.216 176.870 -0.317 0.000 1.013 435 L CA -0.648 54.023 54.840 -0.282 0.000 0.819 435 L CB 0.480 42.451 42.059 -0.147 0.000 1.227 435 L HN 0.374 nan 8.230 nan 0.000 0.417 436 Y N 4.076 124.264 120.300 -0.188 0.000 2.342 436 Y HA 0.658 4.375 4.550 -1.387 0.000 0.334 436 Y C -0.162 175.664 175.900 -0.124 0.000 1.067 436 Y CA -0.918 57.112 58.100 -0.116 0.000 1.128 436 Y CB 1.863 40.249 38.460 -0.124 0.000 1.200 436 Y HN 0.279 nan 8.280 nan 0.000 0.464 437 V N 4.508 124.459 119.914 0.062 0.000 2.409 437 V HA 0.439 3.726 4.120 -1.388 0.000 0.290 437 V C -0.528 175.564 176.094 -0.003 0.000 1.017 437 V CA -0.983 61.257 62.300 -0.101 0.000 0.841 437 V CB 1.417 33.178 31.823 -0.103 0.000 1.003 437 V HN 0.722 nan 8.190 nan 0.000 0.426 438 R N 3.379 123.871 120.500 -0.014 0.000 2.310 438 R HA 0.477 3.984 4.340 -1.388 0.000 0.324 438 R C -0.399 175.911 176.300 0.016 0.000 0.955 438 R CA -0.551 55.586 56.100 0.061 0.000 0.830 438 R CB 1.190 31.593 30.300 0.172 0.000 1.154 438 R HN 0.908 nan 8.270 nan 0.000 0.458 439 D N 3.486 123.870 120.400 -0.025 0.000 2.398 439 D HA 0.083 3.891 4.640 -1.388 0.000 0.247 439 D C 0.869 176.993 176.300 -0.293 0.000 1.227 439 D CA -0.216 53.637 54.000 -0.245 0.000 0.980 439 D CB 0.801 41.506 40.800 -0.158 0.000 1.106 439 D HN 0.435 nan 8.370 nan 0.000 0.493 440 A N 0.242 122.822 122.820 -0.401 0.000 2.121 440 A HA -0.153 3.334 4.320 -1.388 0.000 0.218 440 A C 1.551 179.031 177.584 -0.174 0.000 1.154 440 A CA 0.823 52.698 52.037 -0.270 0.000 0.679 440 A CB -0.656 18.174 19.000 -0.284 0.000 0.795 440 A HN 0.537 nan 8.150 nan 0.000 0.458 441 N N -1.155 117.445 118.700 -0.166 0.000 2.353 441 N HA 0.164 4.071 4.740 -1.388 0.000 0.185 441 N C 1.160 176.610 175.510 -0.100 0.000 1.098 441 N CA 1.097 54.078 53.050 -0.115 0.000 0.872 441 N CB 0.604 39.029 38.487 -0.104 0.000 0.970 441 N HN 0.607 nan 8.380 nan 0.000 0.467 442 G N -0.775 107.952 108.800 -0.122 0.000 2.184 442 G HA2 -0.180 2.947 3.960 -1.388 0.000 0.206 442 G HA3 -0.180 2.947 3.960 -1.388 0.000 0.206 442 G C 0.450 175.238 174.900 -0.186 0.000 0.995 442 G CA -0.186 44.861 45.100 -0.087 0.000 0.651 442 G HN 0.544 nan 8.290 nan 0.000 0.511 443 G N 0.211 108.792 108.800 -0.366 0.000 2.343 443 G HA2 0.514 3.641 3.960 -1.388 0.000 0.254 443 G HA3 0.514 3.641 3.960 -1.388 0.000 0.254 443 G C 0.011 174.651 174.900 -0.434 0.000 1.277 443 G CA -0.095 44.530 45.100 -0.792 0.000 0.909 443 G HN 0.618 nan 8.290 nan 0.000 0.502 444 I N 1.476 121.812 120.570 -0.390 0.000 2.377 444 I HA 0.222 3.559 4.170 -1.388 0.000 0.293 444 I C 0.232 176.358 176.117 0.015 0.000 0.987 444 I CA -0.303 61.011 61.300 0.023 0.000 1.185 444 I CB 1.983 40.142 38.000 0.265 0.000 1.341 444 I HN 0.282 nan 8.210 nan 0.000 0.455 445 S N 6.752 122.460 115.700 0.013 0.000 2.462 445 S HA 0.576 4.214 4.470 -1.388 0.000 0.294 445 S C -0.195 174.391 174.600 -0.022 0.000 1.144 445 S CA -0.546 57.636 58.200 -0.029 0.000 1.088 445 S CB 0.953 64.106 63.200 -0.078 0.000 1.009 445 S HN 0.330 nan 8.310 nan 0.000 0.484 446 I N 3.427 123.957 120.570 -0.068 0.000 2.304 446 I HA 0.296 3.633 4.170 -1.388 0.000 0.291 446 I C 0.615 176.607 176.117 -0.209 0.000 1.018 446 I CA -0.291 60.874 61.300 -0.224 0.000 1.260 446 I CB 1.064 38.964 38.000 -0.168 0.000 1.390 446 I HN 0.570 nan 8.210 nan 0.000 0.475 447 T N 4.440 118.833 114.554 -0.269 0.000 2.829 447 T HA 0.639 4.157 4.350 -1.388 0.000 0.280 447 T C -0.319 174.257 174.700 -0.206 0.000 0.999 447 T CA -0.920 61.055 62.100 -0.210 0.000 0.983 447 T CB 1.644 70.403 68.868 -0.180 0.000 0.968 447 T HN 0.550 nan 8.240 nan 0.000 0.446 448 R N 1.974 122.382 120.500 -0.154 0.000 2.803 448 R HA 0.438 3.945 4.340 -1.388 0.000 0.276 448 R C -0.610 175.637 176.300 -0.089 0.000 0.978 448 R CA -0.893 55.136 56.100 -0.119 0.000 0.939 448 R CB 1.106 31.351 30.300 -0.091 0.000 1.179 448 R HN 0.810 nan 8.270 nan 0.000 0.472 449 D N 0.946 121.309 120.400 -0.061 0.000 2.882 449 D HA -0.201 3.606 4.640 -1.388 0.000 0.229 449 D C -0.468 175.830 176.300 -0.003 0.000 1.167 449 D CA 1.211 55.196 54.000 -0.025 0.000 0.759 449 D CB -0.790 40.005 40.800 -0.009 0.000 1.088 449 D HN 0.428 nan 8.370 nan 0.000 0.425 450 I N 0.473 121.028 120.570 -0.025 0.000 2.330 450 I HA 0.262 3.599 4.170 -1.388 0.000 0.286 450 I C 1.707 177.825 176.117 0.001 0.000 1.025 450 I CA -0.118 61.185 61.300 0.005 0.000 1.197 450 I CB 1.671 39.655 38.000 -0.027 0.000 1.358 450 I HN -0.011 nan 8.210 nan 0.000 0.467 451 G N 3.759 112.569 108.800 0.017 0.000 2.777 451 G HA2 0.064 3.192 3.960 -1.388 0.000 0.211 451 G HA3 0.064 3.192 3.960 -1.388 0.000 0.211 451 G C 0.356 175.258 174.900 0.003 0.000 1.149 451 G CA 0.141 45.244 45.100 0.006 0.000 0.785 451 G HN 0.522 nan 8.290 nan 0.000 0.536 452 S N 0.204 115.913 115.700 0.015 0.000 2.538 452 S HA 0.647 4.284 4.470 -1.388 0.000 0.288 452 S C -0.983 173.627 174.600 0.016 0.000 1.108 452 S CA -0.607 57.600 58.200 0.012 0.000 0.971 452 S CB 2.259 65.468 63.200 0.015 0.000 1.041 452 S HN 0.008 nan 8.310 nan 0.000 0.483 453 I N 2.477 123.047 120.570 -0.001 0.000 2.441 453 I HA 0.466 3.803 4.170 -1.388 0.000 0.295 453 I C -0.647 175.510 176.117 0.067 0.000 0.994 453 I CA -0.790 60.498 61.300 -0.020 0.000 1.144 453 I CB 1.680 39.576 38.000 -0.174 0.000 1.314 453 I HN 0.322 nan 8.210 nan 0.000 0.445 454 V N 5.238 125.184 119.914 0.053 0.000 2.357 454 V HA 0.398 3.685 4.120 -1.388 0.000 0.284 454 V C 0.376 176.511 176.094 0.067 0.000 1.018 454 V CA -0.404 61.943 62.300 0.077 0.000 0.841 454 V CB 1.904 33.760 31.823 0.054 0.000 0.991 454 V HN 0.945 nan 8.190 nan 0.000 0.437 455 T N 1.837 116.469 114.554 0.129 0.000 2.952 455 T HA 0.605 4.122 4.350 -1.388 0.000 0.286 455 T C -0.528 174.223 174.700 0.085 0.000 1.024 455 T CA -0.910 61.258 62.100 0.112 0.000 1.029 455 T CB 1.985 70.956 68.868 0.171 0.000 1.094 455 T HN 0.486 nan 8.240 nan 0.000 0.515 456 K N 1.502 121.946 120.400 0.074 0.000 2.389 456 K HA 0.247 3.735 4.320 -1.388 0.000 0.261 456 K C -0.672 175.941 176.600 0.020 0.000 1.014 456 K CA -0.533 55.776 56.287 0.036 0.000 0.920 456 K CB 0.536 33.050 32.500 0.023 0.000 1.149 456 K HN 0.537 nan 8.250 nan 0.000 0.444 457 E N 5.901 126.094 120.200 -0.011 0.000 2.081 457 E HA 0.111 3.628 4.350 -1.388 0.000 0.281 457 E C -1.928 174.611 176.600 -0.103 0.000 0.986 457 E CA -2.227 54.142 56.400 -0.051 0.000 0.796 457 E CB 1.311 30.970 29.700 -0.068 0.000 1.085 457 E HN 0.483 nan 8.360 nan 0.000 0.398 458 P HA -0.048 nan 4.420 nan 0.000 0.215 458 P C 0.759 177.963 177.300 -0.160 0.000 1.157 458 P CA 0.585 63.618 63.100 -0.111 0.000 0.856 458 P CB 0.316 31.977 31.700 -0.065 0.000 0.786 459 G N -0.462 108.272 108.800 -0.110 0.000 2.599 459 G HA2 0.312 3.440 3.960 -1.388 0.000 0.264 459 G HA3 0.312 3.440 3.960 -1.388 0.000 0.264 459 G C -0.788 174.027 174.900 -0.143 0.000 1.200 459 G CA -0.514 44.541 45.100 -0.075 0.000 0.896 459 G HN -0.042 nan 8.290 nan 0.000 0.536 460 F N -0.422 119.506 119.950 -0.038 0.000 2.504 460 F HA 0.202 3.897 4.527 -1.387 0.000 0.369 460 F C 0.650 176.391 175.800 -0.098 0.000 1.082 460 F CA -0.401 57.574 58.000 -0.043 0.000 1.216 460 F CB 1.171 40.153 39.000 -0.029 0.000 1.108 460 F HN 0.088 nan 8.300 nan 0.000 0.554 461 L N 5.381 126.597 121.223 -0.011 0.000 2.361 461 L HA 0.144 3.651 4.340 -1.388 0.000 0.278 461 L C -0.696 176.045 176.870 -0.215 0.000 1.113 461 L CA -0.395 54.242 54.840 -0.337 0.000 0.849 461 L CB -0.440 41.341 42.059 -0.464 0.000 1.155 461 L HN 0.753 nan 8.230 nan 0.000 0.452 462 W N 3.418 124.796 121.300 0.130 0.000 3.520 462 W HA -0.232 3.595 4.660 -1.388 0.000 0.305 462 W C 1.525 178.059 176.519 0.025 0.000 1.150 462 W CA 0.269 57.658 57.345 0.073 0.000 0.656 462 W CB -2.168 27.336 29.460 0.073 0.000 2.198 462 W HN 0.965 nan 8.180 nan 0.000 1.417 463 G N -0.668 108.236 108.800 0.173 0.000 2.228 463 G HA2 -0.418 2.710 3.960 -1.388 0.000 0.270 463 G HA3 -0.418 2.710 3.960 -1.388 0.000 0.270 463 G C 0.855 175.791 174.900 0.059 0.000 0.976 463 G CA 0.929 46.069 45.100 0.067 0.000 0.636 463 G HN 0.480 nan 8.290 nan 0.000 0.542 464 L N -2.067 119.220 121.223 0.107 0.000 2.185 464 L HA 0.413 3.920 4.340 -1.388 0.000 0.198 464 L C 0.878 177.632 176.870 -0.193 0.000 1.079 464 L CA 0.726 55.481 54.840 -0.141 0.000 0.780 464 L CB 0.028 41.934 42.059 -0.255 0.000 0.955 464 L HN 0.123 nan 8.230 nan 0.000 0.462 465 F N 1.266 121.331 119.950 0.191 0.000 2.453 465 F HA 0.347 4.041 4.527 -1.388 0.000 0.358 465 F C -0.130 175.659 175.800 -0.018 0.000 1.129 465 F CA -1.080 56.974 58.000 0.089 0.000 1.200 465 F CB 0.596 39.626 39.000 0.051 0.000 1.431 465 F HN -0.102 nan 8.300 nan 0.000 0.503 466 K N 1.387 121.880 120.400 0.155 0.000 3.263 466 K HA -0.205 3.282 4.320 -1.388 0.000 0.277 466 K C 0.147 176.745 176.600 -0.003 0.000 1.207 466 K CA 0.868 57.202 56.287 0.078 0.000 0.818 466 K CB -2.026 30.565 32.500 0.152 0.000 1.313 466 K HN 0.854 nan 8.250 nan 0.000 0.512 467 D N -1.768 118.584 120.400 -0.081 0.000 3.771 467 D HA -0.263 3.544 4.640 -1.388 0.000 0.145 467 D C -0.155 176.130 176.300 -0.025 0.000 0.892 467 D CA 1.736 55.694 54.000 -0.069 0.000 1.080 467 D CB -1.162 39.601 40.800 -0.060 0.000 0.498 467 D HN 0.278 nan 8.370 nan 0.000 0.499 468 D N 0.413 120.808 120.400 -0.008 0.000 2.662 468 D HA 0.309 4.116 4.640 -1.388 0.000 0.233 468 D C -0.406 175.883 176.300 -0.018 0.000 1.129 468 D CA 0.460 54.460 54.000 0.001 0.000 0.851 468 D CB 0.313 41.119 40.800 0.010 0.000 1.152 468 D HN 0.337 nan 8.370 nan 0.000 0.507 469 V N 3.108 123.000 119.914 -0.037 0.000 2.531 469 V HA 0.273 3.560 4.120 -1.388 0.000 0.301 469 V C 0.153 176.132 176.094 -0.192 0.000 1.034 469 V CA -0.707 61.493 62.300 -0.167 0.000 0.865 469 V CB 2.381 34.083 31.823 -0.202 0.000 0.995 469 V HN 0.454 nan 8.190 nan 0.000 0.424 470 T N 4.459 118.840 114.554 -0.288 0.000 2.781 470 T HA 0.450 3.967 4.350 -1.388 0.000 0.305 470 T C -0.485 174.035 174.700 -0.299 0.000 1.001 470 T CA -0.257 61.728 62.100 -0.191 0.000 0.950 470 T CB -0.139 68.658 68.868 -0.117 0.000 0.955 470 T HN 0.663 nan 8.240 nan 0.000 0.471 471 H N 0.843 119.825 119.070 -0.146 0.000 2.487 471 H HA 0.545 4.268 4.556 -1.388 0.000 0.333 471 H C 0.344 175.593 175.328 -0.132 0.000 1.114 471 H CA -0.472 55.484 56.048 -0.154 0.000 1.310 471 H CB 0.969 30.616 29.762 -0.192 0.000 1.462 471 H HN 0.477 nan 8.280 nan 0.000 0.516 472 S N 2.259 117.954 115.700 -0.007 0.000 2.457 472 S HA 0.313 3.950 4.470 -1.388 0.000 0.289 472 S C -0.406 174.174 174.600 -0.034 0.000 1.163 472 S CA -0.876 57.308 58.200 -0.027 0.000 1.078 472 S CB 0.269 63.444 63.200 -0.041 0.000 0.987 472 S HN 0.413 nan 8.310 nan 0.000 0.482 473 V N 6.172 126.073 119.914 -0.023 0.000 2.427 473 V HA 0.390 3.678 4.120 -1.388 0.000 0.268 473 V C 0.837 176.943 176.094 0.021 0.000 1.046 473 V CA -0.069 62.232 62.300 0.001 0.000 0.970 473 V CB 0.246 32.072 31.823 0.005 0.000 1.001 473 V HN 1.035 nan 8.190 nan 0.000 0.476 474 T N 1.908 116.485 114.554 0.039 0.000 2.907 474 T HA 0.667 4.184 4.350 -1.388 0.000 0.290 474 T C 1.153 175.923 174.700 0.116 0.000 1.066 474 T CA -0.093 62.028 62.100 0.034 0.000 1.012 474 T CB 2.022 70.878 68.868 -0.019 0.000 1.184 474 T HN 0.556 nan 8.240 nan 0.000 0.522 475 A N 1.063 123.932 122.820 0.081 0.000 2.032 475 A HA -0.042 3.445 4.320 -1.388 0.000 0.221 475 A C 2.276 179.966 177.584 0.176 0.000 1.165 475 A CA 2.303 54.407 52.037 0.112 0.000 0.645 475 A CB -1.200 17.830 19.000 0.050 0.000 0.807 475 A HN 1.375 nan 8.150 nan 0.000 0.453 476 S N -2.970 112.766 115.700 0.061 0.000 2.539 476 S HA 0.518 4.155 4.470 -1.388 0.000 0.221 476 S C 0.733 175.165 174.600 -0.280 0.000 0.987 476 S CA 0.775 58.959 58.200 -0.028 0.000 0.929 476 S CB 0.093 63.267 63.200 -0.042 0.000 0.832 476 S HN 1.857 nan 8.310 nan 0.000 0.492 477 G N 0.722 109.197 108.800 -0.541 0.000 2.362 477 G HA2 0.216 3.343 3.960 -1.388 0.000 0.288 477 G HA3 0.216 3.343 3.960 -1.388 0.000 0.288 477 G C -1.807 172.754 174.900 -0.564 0.000 1.305 477 G CA -1.056 43.410 45.100 -1.057 0.000 0.910 477 G HN 0.309 nan 8.290 nan 0.000 0.518 478 L N 1.086 122.032 121.223 -0.462 0.000 2.278 478 L HA 0.400 3.908 4.340 -1.388 0.000 0.287 478 L C 0.398 177.213 176.870 -0.092 0.000 1.072 478 L CA -0.372 54.322 54.840 -0.243 0.000 0.819 478 L CB 0.912 42.754 42.059 -0.362 0.000 1.176 478 L HN 0.320 nan 8.230 nan 0.000 0.435 479 K N 3.626 123.988 120.400 -0.065 0.000 2.213 479 K HA 0.468 3.956 4.320 -1.388 0.000 0.270 479 K C -0.871 175.695 176.600 -0.057 0.000 1.002 479 K CA -0.657 55.597 56.287 -0.055 0.000 0.868 479 K CB 2.320 34.777 32.500 -0.072 0.000 1.093 479 K HN 0.290 nan 8.250 nan 0.000 0.454 480 V N 2.832 122.705 119.914 -0.068 0.000 2.328 480 V HA 0.279 3.566 4.120 -1.388 0.000 0.278 480 V C 1.141 177.193 176.094 -0.070 0.000 1.021 480 V CA -0.215 61.981 62.300 -0.174 0.000 0.838 480 V CB 0.165 31.822 31.823 -0.277 0.000 0.999 480 V HN 1.143 nan 8.190 nan 0.000 0.447 481 G N 5.424 114.186 108.800 -0.063 0.000 2.690 481 G HA2 -0.331 2.796 3.960 -1.388 0.000 0.334 481 G HA3 -0.331 2.796 3.960 -1.388 0.000 0.334 481 G C 0.643 175.521 174.900 -0.037 0.000 1.250 481 G CA 0.901 45.997 45.100 -0.006 0.000 0.994 481 G HN 1.820 nan 8.290 nan 0.000 0.549 482 S N 0.454 116.128 115.700 -0.044 0.000 2.794 482 S HA 0.362 3.999 4.470 -1.388 0.000 0.244 482 S C -0.121 174.375 174.600 -0.174 0.000 1.045 482 S CA 0.039 58.183 58.200 -0.093 0.000 1.114 482 S CB -0.201 62.952 63.200 -0.077 0.000 1.085 482 S HN 0.734 nan 8.310 nan 0.000 0.488 483 N N 1.490 120.053 118.700 -0.228 0.000 2.497 483 N HA 0.277 4.185 4.740 -1.388 0.000 0.271 483 N C -0.657 174.711 175.510 -0.236 0.000 1.142 483 N CA -0.237 52.548 53.050 -0.442 0.000 0.965 483 N CB 1.711 39.661 38.487 -0.894 0.000 1.077 483 N HN 0.188 nan 8.380 nan 0.000 0.462 484 V N 2.020 121.780 119.914 -0.256 0.000 2.394 484 V HA 0.184 3.471 4.120 -1.388 0.000 0.282 484 V C 0.445 176.531 176.094 -0.014 0.000 1.031 484 V CA -0.585 61.636 62.300 -0.131 0.000 0.881 484 V CB 1.325 33.060 31.823 -0.147 0.000 0.982 484 V HN 0.580 nan 8.190 nan 0.000 0.451 485 T N 5.648 120.235 114.554 0.056 0.000 2.747 485 T HA 0.255 3.772 4.350 -1.388 0.000 0.301 485 T C 0.093 174.737 174.700 -0.093 0.000 0.952 485 T CA -0.189 61.962 62.100 0.086 0.000 0.983 485 T CB 0.238 69.154 68.868 0.079 0.000 0.930 485 T HN 0.663 nan 8.240 nan 0.000 0.494 486 Q N 2.175 121.944 119.800 -0.051 0.000 2.364 486 Q HA 0.149 3.657 4.340 -1.388 0.000 0.267 486 Q C -0.432 175.537 176.000 -0.051 0.000 0.999 486 Q CA -0.303 55.431 55.803 -0.116 0.000 0.886 486 Q CB 0.518 29.240 28.738 -0.027 0.000 1.243 486 Q HN 0.543 nan 8.270 nan 0.000 0.415 487 Y N 1.465 121.782 120.300 0.027 0.000 2.597 487 Y HA -0.102 3.615 4.550 -1.388 0.000 0.336 487 Y C 0.854 176.754 175.900 0.002 0.000 1.216 487 Y CA -0.039 58.068 58.100 0.012 0.000 1.463 487 Y CB 0.137 38.585 38.460 -0.021 0.000 1.303 487 Y HN 0.508 nan 8.280 nan 0.000 0.576 488 D N 1.171 121.655 120.400 0.139 0.000 2.474 488 D HA 0.084 3.891 4.640 -1.388 0.000 0.232 488 D C 0.053 176.409 176.300 0.093 0.000 1.177 488 D CA 0.387 54.441 54.000 0.090 0.000 0.876 488 D CB 0.734 41.573 40.800 0.065 0.000 1.208 488 D HN 0.684 nan 8.370 nan 0.000 0.464 489 A N 1.725 124.614 122.820 0.114 0.000 2.540 489 A HA 0.356 3.843 4.320 -1.388 0.000 0.239 489 A C 0.446 178.104 177.584 0.123 0.000 1.061 489 A CA 0.184 52.281 52.037 0.101 0.000 0.758 489 A CB 0.189 19.229 19.000 0.067 0.000 0.991 489 A HN 0.530 nan 8.150 nan 0.000 0.502 490 S N 0.466 116.231 115.700 0.109 0.000 2.570 490 S HA 0.685 4.322 4.470 -1.388 0.000 0.270 490 S C -1.130 173.522 174.600 0.087 0.000 1.149 490 S CA -0.602 57.644 58.200 0.077 0.000 0.837 490 S CB 1.372 64.668 63.200 0.161 0.000 1.124 490 S HN 1.145 nan 8.310 nan 0.000 0.465 491 V N 1.723 121.648 119.914 0.018 0.000 2.540 491 V HA 0.604 3.891 4.120 -1.388 0.000 0.302 491 V C -0.563 175.587 176.094 0.093 0.000 1.035 491 V CA -0.691 61.636 62.300 0.046 0.000 0.873 491 V CB 1.706 33.510 31.823 -0.031 0.000 0.992 491 V HN 0.919 nan 8.190 nan 0.000 0.428 492 K N 2.390 122.876 120.400 0.143 0.000 2.270 492 K HA 0.716 4.203 4.320 -1.388 0.000 0.255 492 K C 0.372 177.044 176.600 0.120 0.000 0.936 492 K CA -0.496 55.907 56.287 0.194 0.000 0.809 492 K CB 2.708 35.316 32.500 0.181 0.000 1.131 492 K HN 0.835 nan 8.250 nan 0.000 0.427 493 G N 0.634 109.509 108.800 0.125 0.000 2.773 493 G HA2 0.447 3.574 3.960 -1.388 0.000 0.186 493 G HA3 0.447 3.574 3.960 -1.388 0.000 0.186 493 G C -0.228 174.721 174.900 0.081 0.000 1.411 493 G CA -0.134 45.021 45.100 0.092 0.000 1.054 493 G HN 0.607 nan 8.290 nan 0.000 0.579 494 T N -3.908 110.691 114.554 0.075 0.000 2.804 494 T HA 0.329 3.846 4.350 -1.388 0.000 0.290 494 T C 0.321 175.060 174.700 0.066 0.000 1.099 494 T CA -0.651 61.486 62.100 0.062 0.000 1.011 494 T CB 1.470 70.370 68.868 0.052 0.000 1.291 494 T HN 0.278 nan 8.240 nan 0.000 0.523 495 N N -0.479 118.255 118.700 0.056 0.000 2.461 495 N HA 0.278 4.185 4.740 -1.388 0.000 0.188 495 N C 0.887 176.432 175.510 0.058 0.000 1.134 495 N CA -0.116 52.969 53.050 0.058 0.000 0.878 495 N CB 0.136 38.652 38.487 0.049 0.000 0.972 495 N HN 0.748 nan 8.380 nan 0.000 0.456 496 G N -0.189 108.645 108.800 0.056 0.000 2.568 496 G HA2 0.618 3.745 3.960 -1.388 0.000 0.293 496 G HA3 0.618 3.745 3.960 -1.388 0.000 0.293 496 G C -0.723 174.216 174.900 0.066 0.000 1.347 496 G CA -0.638 44.495 45.100 0.056 0.000 1.039 496 G HN 0.147 nan 8.290 nan 0.000 0.523 497 A N 0.472 123.331 122.820 0.064 0.000 2.444 497 A HA 0.505 3.992 4.320 -1.388 0.000 0.273 497 A C -0.370 177.261 177.584 0.078 0.000 1.136 497 A CA -0.188 51.893 52.037 0.074 0.000 0.799 497 A CB -0.069 18.970 19.000 0.064 0.000 1.081 497 A HN 0.519 nan 8.150 nan 0.000 0.509 498 D N 1.762 122.217 120.400 0.092 0.000 2.457 498 D HA 0.424 4.232 4.640 -1.388 0.000 0.240 498 D C -0.755 175.610 176.300 0.109 0.000 1.041 498 D CA -0.175 53.877 54.000 0.087 0.000 0.861 498 D CB 1.843 42.688 40.800 0.075 0.000 1.394 498 D HN 0.357 nan 8.370 nan 0.000 0.473 499 T N 1.494 116.104 114.554 0.093 0.000 2.767 499 T HA 0.479 3.996 4.350 -1.388 0.000 0.284 499 T C 0.165 174.858 174.700 -0.012 0.000 0.973 499 T CA -0.487 61.648 62.100 0.058 0.000 0.996 499 T CB 0.531 69.453 68.868 0.090 0.000 0.927 499 T HN 0.083 nan 8.240 nan 0.000 0.456 500 L N 3.315 124.507 121.223 -0.052 0.000 2.346 500 L HA 0.622 4.130 4.340 -1.388 0.000 0.274 500 L C 0.019 176.807 176.870 -0.137 0.000 1.007 500 L CA -1.058 53.737 54.840 -0.075 0.000 0.818 500 L CB 1.843 43.869 42.059 -0.056 0.000 1.284 500 L HN 0.364 nan 8.230 nan 0.000 0.424 501 K N 1.851 122.150 120.400 -0.168 0.000 2.413 501 K HA 0.673 4.160 4.320 -1.388 0.000 0.257 501 K C -0.622 175.788 176.600 -0.317 0.000 0.946 501 K CA -0.539 55.618 56.287 -0.215 0.000 0.823 501 K CB 2.358 34.740 32.500 -0.197 0.000 1.109 501 K HN 0.690 nan 8.250 nan 0.000 0.427 502 A N 2.683 125.331 122.820 -0.288 0.000 2.386 502 A HA 0.237 3.724 4.320 -1.388 0.000 0.248 502 A C -0.555 176.826 177.584 -0.338 0.000 1.082 502 A CA -0.158 51.690 52.037 -0.315 0.000 0.789 502 A CB -0.045 18.784 19.000 -0.285 0.000 1.025 502 A HN 0.750 nan 8.150 nan 0.000 0.490 503 H N 0.216 119.233 119.070 -0.087 0.000 2.546 503 H HA 0.425 4.148 4.556 -1.388 0.000 0.365 503 H C 1.456 176.747 175.328 -0.062 0.000 1.220 503 H CA 0.364 56.377 56.048 -0.058 0.000 1.386 503 H CB 1.028 30.764 29.762 -0.042 0.000 1.510 503 H HN 0.727 nan 8.280 nan 0.000 0.591 504 A N 1.482 124.347 122.820 0.076 0.000 1.978 504 A HA -0.139 3.348 4.320 -1.388 0.000 0.220 504 A C 2.475 180.064 177.584 0.008 0.000 1.170 504 A CA 1.686 53.735 52.037 0.021 0.000 0.636 504 A CB -1.251 17.761 19.000 0.021 0.000 0.810 504 A HN 0.873 nan 8.150 nan 0.000 0.448 505 G N -1.042 107.774 108.800 0.027 0.000 2.470 505 G HA2 0.360 3.487 3.960 -1.388 0.000 0.220 505 G HA3 0.360 3.487 3.960 -1.388 0.000 0.220 505 G C 0.949 175.838 174.900 -0.017 0.000 1.121 505 G CA 0.778 45.881 45.100 0.006 0.000 0.766 505 G HN 1.788 nan 8.290 nan 0.000 0.553 506 G N -0.914 107.866 108.800 -0.034 0.000 2.911 506 G HA2 0.129 3.256 3.960 -1.388 0.000 0.686 506 G HA3 0.129 3.256 3.960 -1.388 0.000 0.686 506 G C -1.548 173.299 174.900 -0.088 0.000 1.136 506 G CA -0.338 44.700 45.100 -0.102 0.000 0.764 506 G HN 0.216 nan 8.290 nan 0.000 0.626 507 D N 0.253 120.537 120.400 -0.194 0.000 2.819 507 D HA 0.426 4.233 4.640 -1.388 0.000 0.232 507 D C -0.435 175.656 176.300 -0.347 0.000 1.160 507 D CA -0.328 53.579 54.000 -0.155 0.000 0.858 507 D CB 1.263 41.978 40.800 -0.141 0.000 1.610 507 D HN 0.365 nan 8.370 nan 0.000 0.481 508 W N 2.065 123.079 121.300 -0.477 0.000 2.368 508 W HA 0.268 4.095 4.660 -1.388 0.000 0.316 508 W C 0.214 176.177 176.519 -0.926 0.000 1.375 508 W CA -0.187 56.689 57.345 -0.782 0.000 1.261 508 W CB 0.161 29.113 29.460 -0.847 0.000 1.298 508 W HN 0.060 nan 8.180 nan 0.000 0.539 509 L N 5.203 125.952 121.223 -0.791 0.000 2.280 509 L HA 0.398 3.905 4.340 -1.388 0.000 0.287 509 L C -0.767 175.795 176.870 -0.514 0.000 1.023 509 L CA -0.832 53.661 54.840 -0.579 0.000 0.819 509 L CB 0.321 42.088 42.059 -0.486 0.000 1.212 509 L HN 0.174 nan 8.230 nan 0.000 0.420 510 F N 1.748 121.676 119.950 -0.037 0.000 2.291 510 F HA 0.331 4.026 4.527 -1.388 0.000 0.368 510 F C 1.360 177.174 175.800 0.025 0.000 1.085 510 F CA -0.825 57.174 58.000 -0.002 0.000 1.165 510 F CB 1.101 40.106 39.000 0.010 0.000 1.429 510 F HN 0.543 nan 8.300 nan 0.000 0.503 511 G N 2.777 111.690 108.800 0.188 0.000 2.422 511 G HA2 -0.006 3.121 3.960 -1.388 0.000 0.218 511 G HA3 -0.006 3.121 3.960 -1.388 0.000 0.218 511 G C 0.835 175.827 174.900 0.154 0.000 1.146 511 G CA 0.550 45.742 45.100 0.152 0.000 0.769 511 G HN 0.626 nan 8.290 nan 0.000 0.547 512 L N -1.259 120.067 121.223 0.173 0.000 7.734 512 L HA -0.207 3.300 4.340 -1.388 0.000 0.095 512 L C -0.282 176.663 176.870 0.125 0.000 1.227 512 L CA 0.705 55.628 54.840 0.139 0.000 1.430 512 L CB -1.200 40.924 42.059 0.108 0.000 2.866 512 L HN 0.101 nan 8.230 nan 0.000 1.178 513 D N 0.710 121.171 120.400 0.102 0.000 2.361 513 D HA 0.473 4.281 4.640 -1.388 0.000 0.239 513 D C 0.618 176.973 176.300 0.092 0.000 1.200 513 D CA 1.280 55.337 54.000 0.095 0.000 0.915 513 D CB 0.589 41.435 40.800 0.075 0.000 1.170 513 D HN 1.051 nan 8.370 nan 0.000 0.444 514 G N 0.583 109.435 108.800 0.088 0.000 2.730 514 G HA2 -0.191 2.936 3.960 -1.388 0.000 0.686 514 G HA3 -0.191 2.936 3.960 -1.388 0.000 0.686 514 G C -0.728 174.230 174.900 0.097 0.000 1.343 514 G CA -0.932 44.218 45.100 0.083 0.000 0.826 514 G HN 0.464 nan 8.290 nan 0.000 0.582 515 N N 2.189 120.942 118.700 0.088 0.000 2.448 515 N HA 0.308 4.215 4.740 -1.388 0.000 0.250 515 N C -0.312 175.262 175.510 0.107 0.000 1.136 515 N CA -0.037 53.070 53.050 0.095 0.000 0.953 515 N CB 0.659 39.189 38.487 0.072 0.000 1.251 515 N HN 0.527 nan 8.380 nan 0.000 0.502 516 D N -0.125 120.354 120.400 0.133 0.000 2.332 516 D HA 0.091 3.898 4.640 -1.388 0.000 0.252 516 D C -0.159 176.266 176.300 0.209 0.000 1.050 516 D CA -0.128 53.965 54.000 0.154 0.000 0.970 516 D CB 1.684 42.570 40.800 0.145 0.000 1.141 516 D HN 0.468 nan 8.370 nan 0.000 0.485 517 H N 1.123 120.243 119.070 0.083 0.000 2.792 517 H HA 0.300 4.023 4.556 -1.388 0.000 0.298 517 H C -1.251 174.134 175.328 0.095 0.000 1.042 517 H CA -0.831 55.266 56.048 0.081 0.000 1.300 517 H CB 0.403 30.201 29.762 0.060 0.000 1.431 517 H HN -0.023 nan 8.280 nan 0.000 0.496 518 L N 7.224 128.532 121.223 0.142 0.000 2.276 518 L HA 0.312 3.819 4.340 -1.388 0.000 0.286 518 L C -0.226 176.731 176.870 0.145 0.000 1.024 518 L CA -0.250 54.664 54.840 0.124 0.000 0.826 518 L CB 1.029 43.267 42.059 0.298 0.000 1.211 518 L HN 0.609 nan 8.230 nan 0.000 0.422 519 I N 3.435 123.987 120.570 -0.030 0.000 2.307 519 I HA 0.345 3.682 4.170 -1.388 0.000 0.287 519 I C 1.147 177.280 176.117 0.027 0.000 1.054 519 I CA -0.398 60.892 61.300 -0.016 0.000 1.218 519 I CB 0.903 38.805 38.000 -0.163 0.000 1.398 519 I HN 0.650 nan 8.210 nan 0.000 0.475 520 G N 3.894 112.828 108.800 0.222 0.000 2.636 520 G HA2 0.465 3.593 3.960 -1.388 0.000 0.246 520 G HA3 0.465 3.593 3.960 -1.388 0.000 0.246 520 G C 0.270 175.184 174.900 0.023 0.000 1.216 520 G CA -0.051 45.107 45.100 0.097 0.000 0.854 520 G HN 0.672 nan 8.290 nan 0.000 0.572 521 G N -1.979 106.798 108.800 -0.040 0.000 2.971 521 G HA2 0.488 3.615 3.960 -1.388 0.000 0.235 521 G HA3 0.488 3.615 3.960 -1.388 0.000 0.235 521 G C 1.210 176.102 174.900 -0.014 0.000 1.351 521 G CA 0.324 45.407 45.100 -0.027 0.000 1.039 521 G HN 1.236 nan 8.290 nan 0.000 0.563 522 V N -1.622 118.283 119.914 -0.015 0.000 2.867 522 V HA 0.217 3.504 4.120 -1.388 0.000 0.260 522 V C 1.396 177.473 176.094 -0.027 0.000 1.099 522 V CA 1.252 63.543 62.300 -0.014 0.000 1.122 522 V CB -1.326 30.491 31.823 -0.010 0.000 0.708 522 V HN 0.740 nan 8.190 nan 0.000 0.490 523 G N 0.340 109.116 108.800 -0.041 0.000 2.563 523 G HA2 0.299 3.426 3.960 -1.388 0.000 0.283 523 G HA3 0.299 3.426 3.960 -1.388 0.000 0.283 523 G C -0.480 174.364 174.900 -0.093 0.000 1.309 523 G CA -0.789 44.275 45.100 -0.060 0.000 1.022 523 G HN 0.392 nan 8.290 nan 0.000 0.501 524 N N 1.628 120.258 118.700 -0.115 0.000 2.439 524 N HA 0.212 4.119 4.740 -1.388 0.000 0.243 524 N C -0.781 174.567 175.510 -0.272 0.000 1.088 524 N CA 0.006 52.956 53.050 -0.166 0.000 0.940 524 N CB 0.854 39.256 38.487 -0.142 0.000 1.180 524 N HN 0.337 nan 8.380 nan 0.000 0.505 525 D N 0.411 120.593 120.400 -0.363 0.000 2.217 525 D HA 0.344 4.151 4.640 -1.388 0.000 0.248 525 D C -0.031 175.794 176.300 -0.791 0.000 1.008 525 D CA -0.427 53.192 54.000 -0.635 0.000 0.914 525 D CB 2.241 42.518 40.800 -0.872 0.000 1.182 525 D HN -0.018 nan 8.370 nan 0.000 0.451 526 V N 1.740 121.025 119.914 -1.049 0.000 2.384 526 V HA 0.314 3.601 4.120 -1.388 0.000 0.287 526 V C -0.579 174.918 176.094 -0.995 0.000 1.020 526 V CA -0.731 60.913 62.300 -1.093 0.000 0.850 526 V CB 0.699 31.466 31.823 -1.758 0.000 0.987 526 V HN 0.347 nan 8.190 nan 0.000 0.436 527 F N 3.757 123.234 119.950 -0.788 0.000 2.404 527 F HA 0.556 4.250 4.527 -1.388 0.000 0.354 527 F C 0.176 175.701 175.800 -0.458 0.000 1.122 527 F CA -0.697 56.965 58.000 -0.562 0.000 1.080 527 F CB 1.762 40.460 39.000 -0.504 0.000 1.131 527 F HN 0.196 nan 8.300 nan 0.000 0.471 528 V N 3.739 123.544 119.914 -0.182 0.000 2.276 528 V HA 0.238 3.525 4.120 -1.388 0.000 0.268 528 V C 0.947 177.080 176.094 0.066 0.000 1.032 528 V CA -0.475 61.786 62.300 -0.064 0.000 0.810 528 V CB 0.708 32.587 31.823 0.092 0.000 1.060 528 V HN 1.038 nan 8.190 nan 0.000 0.446 529 G N 2.495 111.335 108.800 0.067 0.000 2.450 529 G HA2 0.250 3.377 3.960 -1.388 0.000 0.220 529 G HA3 0.250 3.377 3.960 -1.388 0.000 0.220 529 G C 1.003 176.012 174.900 0.182 0.000 1.130 529 G CA 0.979 46.172 45.100 0.156 0.000 0.760 529 G HN 1.375 nan 8.290 nan 0.000 0.557 530 G N -0.470 108.445 108.800 0.192 0.000 2.645 530 G HA2 0.233 3.361 3.960 -1.388 0.000 0.246 530 G HA3 0.233 3.361 3.960 -1.388 0.000 0.246 530 G C 0.501 175.543 174.900 0.236 0.000 1.322 530 G CA 0.248 45.475 45.100 0.213 0.000 0.898 530 G HN 1.514 nan 8.290 nan 0.000 0.573 531 A N -0.393 122.545 122.820 0.196 0.000 2.507 531 A HA 0.731 4.219 4.320 -1.388 0.000 0.235 531 A C 1.825 179.503 177.584 0.157 0.000 1.070 531 A CA 2.311 54.450 52.037 0.170 0.000 0.768 531 A CB -0.356 18.719 19.000 0.125 0.000 1.011 531 A HN 3.009 nan 8.150 nan 0.000 0.502 532 G N 0.814 109.696 108.800 0.136 0.000 2.661 532 G HA2 -0.040 3.087 3.960 -1.388 0.000 0.685 532 G HA3 -0.040 3.087 3.960 -1.388 0.000 0.685 532 G C -0.860 174.125 174.900 0.142 0.000 1.298 532 G CA -0.366 44.806 45.100 0.120 0.000 0.855 532 G HN 1.097 nan 8.290 nan 0.000 0.560 533 N N 1.928 120.699 118.700 0.118 0.000 2.485 533 N HA 0.427 4.334 4.740 -1.388 0.000 0.243 533 N C -1.054 174.537 175.510 0.133 0.000 0.987 533 N CA -0.341 52.783 53.050 0.124 0.000 0.940 533 N CB 1.264 39.801 38.487 0.084 0.000 1.122 533 N HN 0.521 nan 8.380 nan 0.000 0.509 534 D N 1.327 121.830 120.400 0.173 0.000 2.185 534 D HA 0.233 4.041 4.640 -1.388 0.000 0.247 534 D C -0.253 176.145 176.300 0.164 0.000 1.027 534 D CA -0.493 53.613 54.000 0.176 0.000 0.861 534 D CB 2.554 43.479 40.800 0.208 0.000 1.202 534 D HN 0.208 nan 8.370 nan 0.000 0.453 535 L N 2.262 123.581 121.223 0.161 0.000 2.280 535 L HA 0.443 3.950 4.340 -1.388 0.000 0.287 535 L C -1.103 175.880 176.870 0.188 0.000 1.023 535 L CA -0.153 54.774 54.840 0.146 0.000 0.819 535 L CB 0.851 42.983 42.059 0.122 0.000 1.212 535 L HN 0.299 nan 8.230 nan 0.000 0.420 536 M N 4.726 124.395 119.600 0.115 0.000 2.197 536 M HA 0.452 4.099 4.480 -1.388 0.000 0.301 536 M C -0.872 175.404 176.300 -0.039 0.000 0.987 536 M CA -0.348 54.996 55.300 0.074 0.000 0.921 536 M CB 1.901 34.538 32.600 0.061 0.000 1.569 536 M HN 0.520 nan 8.290 nan 0.000 0.431 537 E N 1.122 121.342 120.200 0.032 0.000 2.113 537 E HA 0.250 3.767 4.350 -1.388 0.000 0.273 537 E C 0.335 176.986 176.600 0.086 0.000 0.924 537 E CA -0.341 56.087 56.400 0.047 0.000 0.764 537 E CB 2.029 31.791 29.700 0.103 0.000 1.104 537 E HN 0.686 nan 8.360 nan 0.000 0.406 538 S N 3.439 119.187 115.700 0.080 0.000 2.369 538 S HA -0.202 3.435 4.470 -1.388 0.000 0.225 538 S C 1.740 176.468 174.600 0.214 0.000 1.043 538 S CA 2.157 60.479 58.200 0.203 0.000 1.074 538 S CB -0.549 62.759 63.200 0.180 0.000 0.962 538 S HN 1.019 nan 8.310 nan 0.000 0.433 539 G N -0.178 108.694 108.800 0.120 0.000 2.189 539 G HA2 0.070 3.197 3.960 -1.388 0.000 0.267 539 G HA3 0.070 3.197 3.960 -1.388 0.000 0.267 539 G C 1.262 176.190 174.900 0.047 0.000 0.975 539 G CA 0.618 45.765 45.100 0.078 0.000 0.644 539 G HN 1.859 nan 8.290 nan 0.000 0.537 540 G N -2.337 106.489 108.800 0.044 0.000 2.408 540 G HA2 0.581 3.708 3.960 -1.388 0.000 0.682 540 G HA3 0.581 3.708 3.960 -1.388 0.000 0.682 540 G C 0.874 175.772 174.900 -0.003 0.000 1.303 540 G CA 0.927 46.033 45.100 0.010 0.000 0.966 540 G HN 2.616 nan 8.290 nan 0.000 0.560 541 G N -1.248 107.536 108.800 -0.027 0.000 2.698 541 G HA2 0.467 3.595 3.960 -1.388 0.000 0.225 541 G HA3 0.467 3.595 3.960 -1.388 0.000 0.225 541 G C 0.300 175.162 174.900 -0.063 0.000 1.345 541 G CA 0.874 45.946 45.100 -0.046 0.000 0.871 541 G HN 2.623 nan 8.290 nan 0.000 0.540 542 A N 0.652 123.423 122.820 -0.081 0.000 2.540 542 A HA 0.637 4.125 4.320 -1.388 0.000 0.340 542 A C -0.263 177.248 177.584 -0.123 0.000 1.424 542 A CA -0.149 51.828 52.037 -0.100 0.000 0.940 542 A CB 0.328 19.273 19.000 -0.091 0.000 1.149 542 A HN 0.571 nan 8.150 nan 0.000 0.505 543 D N 1.072 121.406 120.400 -0.111 0.000 2.217 543 D HA 0.602 4.409 4.640 -1.388 0.000 0.248 543 D C -0.246 175.932 176.300 -0.203 0.000 1.008 543 D CA 0.291 54.192 54.000 -0.166 0.000 0.914 543 D CB 1.801 42.557 40.800 -0.072 0.000 1.182 543 D HN 0.341 nan 8.370 nan 0.000 0.451 544 T N 1.079 115.407 114.554 -0.377 0.000 2.824 544 T HA 0.506 4.023 4.350 -1.388 0.000 0.282 544 T C -0.605 173.785 174.700 -0.517 0.000 0.993 544 T CA -0.518 61.399 62.100 -0.306 0.000 0.967 544 T CB 0.472 69.135 68.868 -0.342 0.000 0.960 544 T HN 0.083 nan 8.240 nan 0.000 0.441 545 F N 2.839 122.690 119.950 -0.166 0.000 2.449 545 F HA 0.625 4.319 4.527 -1.388 0.000 0.342 545 F C -0.300 175.043 175.800 -0.761 0.000 1.127 545 F CA -1.145 56.616 58.000 -0.399 0.000 0.975 545 F CB 1.340 40.176 39.000 -0.274 0.000 1.146 545 F HN 0.258 nan 8.300 nan 0.000 0.444 546 L N 5.027 125.766 121.223 -0.807 0.000 2.333 546 L HA 0.687 4.194 4.340 -1.388 0.000 0.280 546 L C -1.684 174.562 176.870 -1.040 0.000 1.004 546 L CA -0.696 53.720 54.840 -0.708 0.000 0.820 546 L CB 0.628 42.496 42.059 -0.319 0.000 1.247 546 L HN 0.369 nan 8.230 nan 0.000 0.416 547 F N 4.564 124.239 119.950 -0.458 0.000 2.493 547 F HA 0.542 4.236 4.527 -1.388 0.000 0.329 547 F C 0.176 175.848 175.800 -0.213 0.000 1.126 547 F CA -0.568 57.109 58.000 -0.538 0.000 0.937 547 F CB 1.643 39.840 39.000 -1.340 0.000 1.146 547 F HN 0.558 nan 8.300 nan 0.000 0.442 548 N N 1.769 120.585 118.700 0.195 0.000 2.287 548 N HA 0.545 4.452 4.740 -1.388 0.000 0.289 548 N C -0.006 175.731 175.510 0.377 0.000 1.066 548 N CA 0.360 53.576 53.050 0.276 0.000 0.841 548 N CB 2.243 40.865 38.487 0.225 0.000 1.599 548 N HN 0.872 nan 8.380 nan 0.000 0.476 549 G N 2.024 111.039 108.800 0.358 0.000 2.539 549 G HA2 -0.204 2.923 3.960 -1.388 0.000 0.256 549 G HA3 -0.204 2.923 3.960 -1.388 0.000 0.256 549 G C -0.172 174.908 174.900 0.299 0.000 1.233 549 G CA -0.042 45.232 45.100 0.290 0.000 0.936 549 G HN 0.975 nan 8.290 nan 0.000 0.571 550 A N 0.282 123.212 122.820 0.185 0.000 2.990 550 A HA 0.591 4.078 4.320 -1.388 0.000 0.282 550 A C 0.898 178.544 177.584 0.102 0.000 1.688 550 A CA 0.831 52.912 52.037 0.073 0.000 1.391 550 A CB -1.145 17.886 19.000 0.052 0.000 1.112 550 A HN 1.744 nan 8.150 nan 0.000 0.588 551 F N 0.622 120.675 119.950 0.170 0.000 2.780 551 F HA 0.461 4.155 4.527 -1.388 0.000 0.299 551 F C 0.959 176.869 175.800 0.185 0.000 1.146 551 F CA -0.007 58.117 58.000 0.207 0.000 1.428 551 F CB -0.582 38.605 39.000 0.311 0.000 1.115 551 F HN 0.752 nan 8.300 nan 0.000 0.583 552 G N 1.125 109.842 108.800 -0.138 0.000 2.615 552 G HA2 -0.131 2.996 3.960 -1.388 0.000 0.218 552 G HA3 -0.131 2.996 3.960 -1.388 0.000 0.218 552 G C -1.117 173.769 174.900 -0.023 0.000 1.339 552 G CA -0.405 44.679 45.100 -0.027 0.000 0.884 552 G HN 0.399 nan 8.290 nan 0.000 0.559 553 Q N 1.414 121.252 119.800 0.063 0.000 2.466 553 Q HA 0.444 3.951 4.340 -1.388 0.000 0.242 553 Q C -0.927 175.156 176.000 0.139 0.000 1.046 553 Q CA -0.462 55.390 55.803 0.081 0.000 0.841 553 Q CB 1.299 30.059 28.738 0.037 0.000 1.193 553 Q HN 0.573 nan 8.270 nan 0.000 0.508 554 D N 1.663 122.189 120.400 0.209 0.000 2.229 554 D HA 0.437 4.244 4.640 -1.388 0.000 0.249 554 D C -0.054 176.309 176.300 0.106 0.000 1.027 554 D CA -0.439 53.685 54.000 0.208 0.000 0.923 554 D CB 1.559 42.571 40.800 0.353 0.000 1.174 554 D HN 0.165 nan 8.370 nan 0.000 0.443 555 R N 0.338 120.884 120.500 0.077 0.000 2.534 555 R HA 0.569 4.076 4.340 -1.388 0.000 0.301 555 R C -1.083 175.196 176.300 -0.036 0.000 0.961 555 R CA -0.861 55.243 56.100 0.008 0.000 0.871 555 R CB 2.088 32.395 30.300 0.011 0.000 1.170 555 R HN 0.115 nan 8.270 nan 0.000 0.446 556 V N 4.003 123.833 119.914 -0.139 0.000 2.384 556 V HA 0.396 3.684 4.120 -1.388 0.000 0.287 556 V C -0.324 175.648 176.094 -0.203 0.000 1.020 556 V CA -0.735 61.389 62.300 -0.294 0.000 0.850 556 V CB 1.853 33.306 31.823 -0.617 0.000 0.987 556 V HN 0.447 nan 8.190 nan 0.000 0.436 557 V N 3.439 123.269 119.914 -0.141 0.000 2.555 557 V HA 0.774 4.061 4.120 -1.388 0.000 0.302 557 V C 0.985 177.068 176.094 -0.017 0.000 1.038 557 V CA 0.407 62.677 62.300 -0.050 0.000 0.887 557 V CB 1.347 33.168 31.823 -0.003 0.000 0.991 557 V HN 1.145 nan 8.190 nan 0.000 0.434 558 G N 3.843 112.653 108.800 0.015 0.000 2.160 558 G HA2 -0.295 2.832 3.960 -1.388 0.000 0.251 558 G HA3 -0.295 2.832 3.960 -1.388 0.000 0.251 558 G C -0.012 174.927 174.900 0.064 0.000 1.008 558 G CA 0.257 45.381 45.100 0.039 0.000 0.724 558 G HN 0.797 nan 8.290 nan 0.000 0.514 559 F N 3.080 122.966 119.950 -0.107 0.000 2.571 559 F HA 0.461 4.155 4.527 -1.388 0.000 0.384 559 F C 1.257 177.028 175.800 -0.049 0.000 1.058 559 F CA 0.999 58.937 58.000 -0.104 0.000 1.200 559 F CB 0.572 39.443 39.000 -0.215 0.000 1.077 559 F HN 0.350 nan 8.300 nan 0.000 0.558 560 T N 1.048 115.335 114.554 -0.445 0.000 2.905 560 T HA 0.278 3.795 4.350 -1.388 0.000 0.283 560 T C 1.089 175.491 174.700 -0.497 0.000 1.031 560 T CA -0.357 61.554 62.100 -0.315 0.000 1.002 560 T CB 1.392 70.159 68.868 -0.169 0.000 1.200 560 T HN 0.441 nan 8.240 nan 0.000 0.560 561 S N 1.683 117.243 115.700 -0.234 0.000 2.392 561 S HA -0.173 3.465 4.470 -1.388 0.000 0.232 561 S C 1.884 176.362 174.600 -0.204 0.000 1.041 561 S CA 1.940 60.037 58.200 -0.172 0.000 1.026 561 S CB -0.696 62.452 63.200 -0.086 0.000 0.845 561 S HN 0.922 nan 8.310 nan 0.000 0.465 562 N N 1.032 119.605 118.700 -0.212 0.000 2.398 562 N HA 0.009 3.917 4.740 -1.388 0.000 0.188 562 N C -0.611 174.778 175.510 -0.202 0.000 1.122 562 N CA 0.187 53.139 53.050 -0.163 0.000 0.866 562 N CB -0.220 38.199 38.487 -0.113 0.000 0.970 562 N HN 0.223 nan 8.380 nan 0.000 0.462 563 D N 0.642 120.817 120.400 -0.375 0.000 2.388 563 D HA 0.271 4.078 4.640 -1.388 0.000 0.254 563 D C -0.533 175.648 176.300 -0.198 0.000 1.111 563 D CA -0.020 53.763 54.000 -0.362 0.000 0.993 563 D CB 1.551 41.988 40.800 -0.605 0.000 1.118 563 D HN 0.088 nan 8.370 nan 0.000 0.502 564 K N 0.534 121.013 120.400 0.131 0.000 2.513 564 K HA 0.427 3.914 4.320 -1.388 0.000 0.251 564 K C -1.318 175.505 176.600 0.372 0.000 0.939 564 K CA -0.577 55.851 56.287 0.235 0.000 0.793 564 K CB 1.284 33.825 32.500 0.069 0.000 1.241 564 K HN 0.281 nan 8.250 nan 0.000 0.431 565 L N 3.780 125.174 121.223 0.284 0.000 2.307 565 L HA 0.571 4.079 4.340 -1.388 0.000 0.282 565 L C -0.685 176.111 176.870 -0.122 0.000 1.051 565 L CA -1.238 53.651 54.840 0.082 0.000 0.804 565 L CB 1.713 43.769 42.059 -0.006 0.000 1.197 565 L HN 0.280 nan 8.230 nan 0.000 0.431 566 V N 3.284 123.013 119.914 -0.308 0.000 2.443 566 V HA 0.385 3.672 4.120 -1.388 0.000 0.293 566 V C -0.742 175.078 176.094 -0.457 0.000 1.021 566 V CA -0.382 61.705 62.300 -0.356 0.000 0.848 566 V CB 1.484 33.114 31.823 -0.321 0.000 0.998 566 V HN 0.383 nan 8.190 nan 0.000 0.424 567 F N 5.869 125.722 119.950 -0.162 0.000 2.388 567 F HA 0.740 4.434 4.527 -1.388 0.000 0.358 567 F C -0.261 175.469 175.800 -0.118 0.000 1.122 567 F CA -0.688 57.161 58.000 -0.251 0.000 1.056 567 F CB 1.675 40.301 39.000 -0.624 0.000 1.155 567 F HN 0.309 nan 8.300 nan 0.000 0.461 568 L N 3.109 124.408 121.223 0.127 0.000 2.482 568 L HA 0.687 4.194 4.340 -1.388 0.000 0.269 568 L C 0.066 177.116 176.870 0.300 0.000 0.967 568 L CA -0.359 54.597 54.840 0.194 0.000 0.851 568 L CB 1.654 43.786 42.059 0.121 0.000 1.242 568 L HN 0.713 nan 8.230 nan 0.000 0.404 569 G N 3.722 112.784 108.800 0.437 0.000 2.324 569 G HA2 -0.013 3.115 3.960 -1.388 0.000 0.292 569 G HA3 -0.013 3.115 3.960 -1.388 0.000 0.292 569 G C -0.285 174.781 174.900 0.278 0.000 1.079 569 G CA 0.416 45.734 45.100 0.364 0.000 1.026 569 G HN 1.401 nan 8.290 nan 0.000 0.506 570 V N -3.902 116.161 119.914 0.250 0.000 3.113 570 V HA 0.898 4.185 4.120 -1.388 0.000 0.316 570 V C 0.193 176.434 176.094 0.246 0.000 1.125 570 V CA -1.453 61.018 62.300 0.285 0.000 1.026 570 V CB 2.018 34.014 31.823 0.289 0.000 1.080 570 V HN 0.302 nan 8.190 nan 0.000 0.444 571 Q N 0.720 120.677 119.800 0.263 0.000 2.306 571 Q HA 0.504 4.012 4.340 -1.388 0.000 0.241 571 Q C 1.040 177.189 176.000 0.249 0.000 0.948 571 Q CA 0.667 56.589 55.803 0.199 0.000 0.886 571 Q CB 1.062 29.881 28.738 0.135 0.000 1.227 571 Q HN 1.866 nan 8.270 nan 0.000 0.457 572 G N 0.574 109.474 108.800 0.168 0.000 2.137 572 G HA2 -0.217 2.911 3.960 -1.388 0.000 0.237 572 G HA3 -0.217 2.911 3.960 -1.388 0.000 0.237 572 G C -0.188 174.863 174.900 0.253 0.000 1.002 572 G CA 0.091 45.289 45.100 0.163 0.000 0.702 572 G HN 0.367 nan 8.290 nan 0.000 0.515 573 V N 1.575 121.629 119.914 0.234 0.000 2.383 573 V HA 0.584 3.871 4.120 -1.388 0.000 0.275 573 V C 0.901 177.097 176.094 0.169 0.000 1.036 573 V CA -0.594 61.863 62.300 0.261 0.000 0.889 573 V CB 1.474 33.446 31.823 0.248 0.000 0.985 573 V HN 0.331 nan 8.190 nan 0.000 0.459 574 L N 6.655 127.967 121.223 0.148 0.000 2.379 574 L HA 0.459 3.967 4.340 -1.388 0.000 0.269 574 L C -2.227 174.708 176.870 0.108 0.000 1.084 574 L CA -1.974 52.919 54.840 0.088 0.000 0.802 574 L CB 1.156 43.237 42.059 0.036 0.000 1.175 574 L HN 0.387 nan 8.230 nan 0.000 0.448 575 P HA -0.067 nan 4.420 nan 0.000 0.260 575 P C -0.393 176.965 177.300 0.096 0.000 1.172 575 P CA 0.456 63.620 63.100 0.108 0.000 0.760 575 P CB 0.134 31.892 31.700 0.097 0.000 0.773 576 N N 0.537 119.301 118.700 0.107 0.000 2.727 576 N HA -0.185 3.723 4.740 -1.388 0.000 0.249 576 N C -0.560 175.003 175.510 0.089 0.000 1.048 576 N CA 1.054 54.162 53.050 0.096 0.000 0.714 576 N CB -1.387 37.146 38.487 0.078 0.000 0.959 576 N HN 0.464 nan 8.380 nan 0.000 0.544 577 D N 0.706 121.177 120.400 0.118 0.000 2.382 577 D HA 0.119 3.927 4.640 -1.388 0.000 0.245 577 D C 0.735 177.123 176.300 0.148 0.000 1.120 577 D CA 0.130 54.206 54.000 0.127 0.000 0.890 577 D CB 0.687 41.641 40.800 0.257 0.000 1.201 577 D HN 0.359 nan 8.370 nan 0.000 0.433 578 D N 0.147 120.611 120.400 0.106 0.000 2.569 578 D HA 0.069 3.877 4.640 -1.388 0.000 0.266 578 D C 1.127 177.530 176.300 0.171 0.000 1.164 578 D CA -0.679 53.414 54.000 0.154 0.000 1.071 578 D CB -0.033 40.835 40.800 0.113 0.000 1.183 578 D HN 0.302 nan 8.370 nan 0.000 0.613 579 F N -0.098 119.916 119.950 0.107 0.000 2.293 579 F HA 0.152 3.847 4.527 -1.388 0.000 0.300 579 F C 2.123 177.945 175.800 0.037 0.000 1.086 579 F CA 0.533 58.588 58.000 0.091 0.000 1.375 579 F CB -0.499 38.546 39.000 0.076 0.000 1.045 579 F HN 0.088 nan 8.300 nan 0.000 0.516 580 R N 0.990 120.959 120.500 -0.884 0.000 2.120 580 R HA -0.036 3.471 4.340 -1.388 0.000 0.234 580 R C 2.484 178.578 176.300 -0.343 0.000 1.123 580 R CA 1.087 56.776 56.100 -0.685 0.000 0.975 580 R CB -0.745 29.153 30.300 -0.670 0.000 0.866 580 R HN 0.468 nan 8.270 nan 0.000 0.446 581 A N 0.091 122.739 122.820 -0.287 0.000 2.070 581 A HA -0.158 3.330 4.320 -1.388 0.000 0.220 581 A C 0.978 178.225 177.584 -0.563 0.000 1.159 581 A CA 1.378 53.199 52.037 -0.360 0.000 0.656 581 A CB -0.315 18.484 19.000 -0.335 0.000 0.800 581 A HN 0.388 nan 8.150 nan 0.000 0.453 582 H N -1.943 116.947 119.070 -0.299 0.000 2.893 582 H HA 0.576 4.299 4.556 -1.388 0.000 0.270 582 H C 0.495 175.647 175.328 -0.294 0.000 1.095 582 H CA 0.331 56.127 56.048 -0.419 0.000 1.186 582 H CB 0.535 29.830 29.762 -0.778 0.000 1.562 582 H HN 0.472 nan 8.280 nan 0.000 0.536 583 A N 0.862 123.617 122.820 -0.109 0.000 2.325 583 A HA 0.732 4.219 4.320 -1.388 0.000 0.333 583 A C -0.164 177.383 177.584 -0.063 0.000 1.155 583 A CA -0.198 51.816 52.037 -0.037 0.000 0.814 583 A CB 0.907 19.941 19.000 0.056 0.000 1.206 583 A HN 0.284 nan 8.150 nan 0.000 0.482 584 S N 1.253 116.931 115.700 -0.037 0.000 2.625 584 S HA 0.738 4.375 4.470 -1.388 0.000 0.271 584 S C -0.956 173.632 174.600 -0.021 0.000 1.161 584 S CA -0.860 57.316 58.200 -0.039 0.000 0.820 584 S CB 1.069 64.237 63.200 -0.053 0.000 1.137 584 S HN 0.508 nan 8.310 nan 0.000 0.470 585 M N 2.197 121.785 119.600 -0.020 0.000 2.157 585 M HA 0.457 4.105 4.480 -1.388 0.000 0.354 585 M C -1.042 175.247 176.300 -0.019 0.000 1.170 585 M CA -0.767 54.524 55.300 -0.015 0.000 1.060 585 M CB 1.014 33.608 32.600 -0.010 0.000 1.615 585 M HN 0.610 nan 8.290 nan 0.000 0.460 586 V N 3.488 123.392 119.914 -0.018 0.000 2.304 586 V HA 0.642 3.930 4.120 -1.388 0.000 0.278 586 V C 0.926 177.012 176.094 -0.014 0.000 1.018 586 V CA 0.165 62.455 62.300 -0.017 0.000 0.814 586 V CB 0.340 32.153 31.823 -0.018 0.000 1.021 586 V HN 1.150 nan 8.190 nan 0.000 0.440 587 G N 4.765 113.558 108.800 -0.012 0.000 2.561 587 G HA2 -0.266 2.861 3.960 -1.388 0.000 0.289 587 G HA3 -0.266 2.861 3.960 -1.388 0.000 0.289 587 G C 0.533 175.429 174.900 -0.007 0.000 1.169 587 G CA 0.465 45.559 45.100 -0.009 0.000 0.980 587 G HN 0.531 nan 8.290 nan 0.000 0.550 588 Q N 1.801 121.597 119.800 -0.007 0.000 2.320 588 Q HA 0.190 3.697 4.340 -1.388 0.000 0.201 588 Q C -0.263 175.733 176.000 -0.007 0.000 0.910 588 Q CA 0.608 56.408 55.803 -0.004 0.000 0.946 588 Q CB 0.506 29.242 28.738 -0.003 0.000 1.062 588 Q HN 0.618 nan 8.270 nan 0.000 0.503 589 D N 0.985 121.377 120.400 -0.013 0.000 2.192 589 D HA 0.199 4.006 4.640 -1.388 0.000 0.246 589 D C -0.290 175.997 176.300 -0.022 0.000 1.042 589 D CA -0.188 53.799 54.000 -0.021 0.000 0.847 589 D CB 1.610 42.395 40.800 -0.025 0.000 1.186 589 D HN -0.230 nan 8.370 nan 0.000 0.461 590 T N 0.994 115.530 114.554 -0.030 0.000 2.851 590 T HA 0.326 3.843 4.350 -1.388 0.000 0.298 590 T C 0.207 174.884 174.700 -0.038 0.000 0.977 590 T CA -0.327 61.758 62.100 -0.026 0.000 1.126 590 T CB 0.786 69.640 68.868 -0.023 0.000 0.916 590 T HN 0.012 nan 8.240 nan 0.000 0.529 591 V N 5.287 125.187 119.914 -0.024 0.000 2.487 591 V HA 0.461 3.749 4.120 -1.388 0.000 0.298 591 V C -0.295 175.788 176.094 -0.018 0.000 1.028 591 V CA -0.831 61.456 62.300 -0.023 0.000 0.860 591 V CB 1.494 33.304 31.823 -0.022 0.000 0.991 591 V HN 0.704 nan 8.190 nan 0.000 0.427 592 L N 5.189 126.411 121.223 -0.001 0.000 2.322 592 L HA 0.636 4.143 4.340 -1.388 0.000 0.281 592 L C -0.158 176.705 176.870 -0.010 0.000 1.014 592 L CA -0.542 54.287 54.840 -0.018 0.000 0.815 592 L CB 1.699 43.793 42.059 0.058 0.000 1.247 592 L HN 0.505 nan 8.230 nan 0.000 0.421 593 K N 3.462 123.745 120.400 -0.194 0.000 2.345 593 K HA 0.598 4.085 4.320 -1.388 0.000 0.255 593 K C -1.510 174.862 176.600 -0.380 0.000 0.934 593 K CA -0.424 55.784 56.287 -0.132 0.000 0.801 593 K CB 2.127 34.559 32.500 -0.114 0.000 1.137 593 K HN 0.275 nan 8.250 nan 0.000 0.424 594 F N 1.592 121.538 119.950 -0.007 0.000 2.646 594 F HA 0.266 3.960 4.527 -1.388 0.000 0.364 594 F C 0.995 176.785 175.800 -0.017 0.000 1.137 594 F CA -0.266 57.736 58.000 0.005 0.000 1.085 594 F CB 1.535 40.548 39.000 0.022 0.000 1.331 594 F HN 0.904 nan 8.300 nan 0.000 0.472 595 G N 2.199 111.052 108.800 0.089 0.000 2.611 595 G HA2 -0.294 2.833 3.960 -1.388 0.000 0.301 595 G HA3 -0.294 2.833 3.960 -1.388 0.000 0.301 595 G C 1.237 176.131 174.900 -0.010 0.000 1.233 595 G CA 0.129 45.250 45.100 0.035 0.000 0.993 595 G HN 1.123 nan 8.290 nan 0.000 0.553 596 G N 0.310 109.090 108.800 -0.033 0.000 3.181 596 G HA2 0.415 3.542 3.960 -1.388 0.000 0.219 596 G HA3 0.415 3.542 3.960 -1.388 0.000 0.219 596 G C 0.175 175.005 174.900 -0.116 0.000 1.182 596 G CA 1.016 46.082 45.100 -0.058 0.000 0.791 596 G HN 0.667 nan 8.290 nan 0.000 0.537 597 D N 0.285 120.566 120.400 -0.197 0.000 2.272 597 D HA 0.556 4.364 4.640 -1.388 0.000 0.247 597 D C -0.130 176.048 176.300 -0.203 0.000 0.990 597 D CA -0.009 53.721 54.000 -0.449 0.000 0.931 597 D CB 1.973 42.056 40.800 -1.194 0.000 1.195 597 D HN 0.225 nan 8.370 nan 0.000 0.477 598 S N -0.955 114.702 115.700 -0.071 0.000 2.547 598 S HA 0.559 4.196 4.470 -1.388 0.000 0.270 598 S C -1.275 173.504 174.600 0.298 0.000 1.150 598 S CA -0.837 57.471 58.200 0.180 0.000 0.850 598 S CB 1.421 64.657 63.200 0.059 0.000 1.118 598 S HN 0.158 nan 8.310 nan 0.000 0.461 599 V N 1.836 121.864 119.914 0.190 0.000 2.487 599 V HA 0.589 3.876 4.120 -1.388 0.000 0.298 599 V C -0.326 175.755 176.094 -0.022 0.000 1.028 599 V CA -0.431 61.875 62.300 0.010 0.000 0.860 599 V CB 1.818 33.495 31.823 -0.244 0.000 0.991 599 V HN 1.029 nan 8.190 nan 0.000 0.427 600 T N 6.476 121.008 114.554 -0.036 0.000 2.743 600 T HA 0.496 4.013 4.350 -1.388 0.000 0.292 600 T C -0.041 174.592 174.700 -0.112 0.000 0.972 600 T CA -0.215 61.851 62.100 -0.056 0.000 0.967 600 T CB 0.520 69.372 68.868 -0.027 0.000 0.926 600 T HN 0.377 nan 8.240 nan 0.000 0.459 601 L N 4.431 125.566 121.223 -0.146 0.000 2.356 601 L HA 0.269 3.776 4.340 -1.388 0.000 0.282 601 L C 0.203 177.010 176.870 -0.105 0.000 1.132 601 L CA -0.738 53.984 54.840 -0.196 0.000 0.923 601 L CB 0.246 42.138 42.059 -0.278 0.000 1.278 601 L HN 0.399 nan 8.230 nan 0.000 0.436 602 V N 3.126 122.991 119.914 -0.082 0.000 2.557 602 V HA 0.036 3.323 4.120 -1.388 0.000 0.301 602 V C 1.464 177.545 176.094 -0.023 0.000 1.026 602 V CA 0.894 63.169 62.300 -0.042 0.000 1.137 602 V CB 0.482 32.287 31.823 -0.031 0.000 0.917 602 V HN 1.064 nan 8.190 nan 0.000 0.484 603 G N 3.754 112.546 108.800 -0.014 0.000 2.258 603 G HA2 -0.205 2.922 3.960 -1.388 0.000 0.274 603 G HA3 -0.205 2.922 3.960 -1.388 0.000 0.274 603 G C -0.043 174.861 174.900 0.006 0.000 1.021 603 G CA 0.282 45.381 45.100 -0.002 0.000 0.798 603 G HN 0.823 nan 8.290 nan 0.000 0.507 604 V N 0.577 120.491 119.914 -0.001 0.000 2.357 604 V HA 0.724 4.012 4.120 -1.388 0.000 0.284 604 V C 0.793 176.893 176.094 0.011 0.000 1.018 604 V CA -0.522 61.786 62.300 0.014 0.000 0.841 604 V CB 1.411 33.240 31.823 0.010 0.000 0.991 604 V HN 0.995 nan 8.190 nan 0.000 0.437 605 A N 4.299 127.133 122.820 0.024 0.000 2.454 605 A HA 0.364 3.851 4.320 -1.388 0.000 0.260 605 A C 1.088 178.699 177.584 0.044 0.000 1.106 605 A CA -0.242 51.812 52.037 0.027 0.000 0.780 605 A CB 0.221 19.238 19.000 0.028 0.000 1.044 605 A HN 0.928 nan 8.150 nan 0.000 0.498 606 L N 2.916 124.171 121.223 0.052 0.000 2.051 606 L HA -0.223 3.284 4.340 -1.388 0.000 0.214 606 L C 1.680 178.631 176.870 0.135 0.000 1.076 606 L CA 2.332 57.232 54.840 0.100 0.000 0.758 606 L CB -0.670 41.438 42.059 0.082 0.000 0.890 606 L HN 0.772 nan 8.230 nan 0.000 0.433 607 N N -0.543 118.212 118.700 0.091 0.000 2.443 607 N HA -0.124 3.784 4.740 -1.388 0.000 0.184 607 N C 1.884 177.448 175.510 0.089 0.000 1.037 607 N CA 1.182 54.285 53.050 0.089 0.000 0.896 607 N CB -0.365 38.154 38.487 0.054 0.000 0.959 607 N HN 0.671 nan 8.380 nan 0.000 0.442 608 S N -0.692 115.054 115.700 0.077 0.000 2.562 608 S HA 0.116 3.753 4.470 -1.388 0.000 0.221 608 S C 0.742 175.380 174.600 0.064 0.000 0.975 608 S CA -0.172 58.066 58.200 0.063 0.000 0.918 608 S CB -0.068 63.164 63.200 0.053 0.000 0.772 608 S HN 0.092 nan 8.310 nan 0.000 0.531 609 L N 1.405 122.671 121.223 0.071 0.000 2.399 609 L HA 0.619 4.126 4.340 -1.388 0.000 0.265 609 L C 0.270 177.124 176.870 -0.025 0.000 1.089 609 L CA -0.578 54.245 54.840 -0.028 0.000 0.802 609 L CB 1.644 43.588 42.059 -0.192 0.000 1.180 609 L HN 0.136 nan 8.230 nan 0.000 0.454 610 S N -0.153 115.462 115.700 -0.142 0.000 2.542 610 S HA 0.589 4.226 4.470 -1.388 0.000 0.293 610 S C 0.601 175.099 174.600 -0.170 0.000 1.089 610 S CA -0.062 58.116 58.200 -0.036 0.000 0.961 610 S CB 1.884 65.088 63.200 0.008 0.000 1.062 610 S HN 0.676 nan 8.310 nan 0.000 0.483 611 A N 2.775 125.645 122.820 0.084 0.000 2.019 611 A HA -0.033 3.454 4.320 -1.388 0.000 0.219 611 A C 1.511 179.135 177.584 0.066 0.000 1.164 611 A CA 1.668 53.795 52.037 0.151 0.000 0.644 611 A CB -0.616 18.580 19.000 0.327 0.000 0.805 611 A HN 0.869 nan 8.150 nan 0.000 0.449 612 D N -0.310 120.122 120.400 0.052 0.000 2.263 612 D HA -0.078 3.729 4.640 -1.388 0.000 0.208 612 D C 1.737 178.056 176.300 0.032 0.000 0.971 612 D CA 1.409 55.438 54.000 0.047 0.000 0.867 612 D CB -0.275 40.550 40.800 0.042 0.000 0.929 612 D HN 0.489 nan 8.370 nan 0.000 0.492 613 G N -0.342 108.465 108.800 0.012 0.000 3.126 613 G HA2 0.209 3.337 3.960 -1.388 0.000 0.224 613 G HA3 0.209 3.337 3.960 -1.388 0.000 0.224 613 G C 0.622 175.572 174.900 0.084 0.000 1.142 613 G CA -0.199 44.938 45.100 0.063 0.000 0.759 613 G HN 0.157 nan 8.290 nan 0.000 0.550 614 I N 1.973 122.540 120.570 -0.006 0.000 2.495 614 I HA 0.230 3.567 4.170 -1.388 0.000 0.277 614 I C -0.695 175.480 176.117 0.097 0.000 1.045 614 I CA -0.676 60.647 61.300 0.038 0.000 1.135 614 I CB 2.044 39.993 38.000 -0.086 0.000 1.241 614 I HN -0.316 nan 8.210 nan 0.000 0.469 615 V N 6.715 126.652 119.914 0.038 0.000 2.408 615 V HA 0.261 3.549 4.120 -1.388 0.000 0.267 615 V C 0.424 176.574 176.094 0.092 0.000 1.047 615 V CA -0.143 62.132 62.300 -0.041 0.000 0.937 615 V CB 1.199 32.775 31.823 -0.412 0.000 0.999 615 V HN 0.405 nan 8.190 nan 0.000 0.472 616 I N 5.267 125.918 120.570 0.136 0.000 2.371 616 I HA 0.588 3.925 4.170 -1.388 0.000 0.282 616 I C 0.510 176.709 176.117 0.136 0.000 1.031 616 I CA -0.028 61.375 61.300 0.171 0.000 1.180 616 I CB 0.828 38.953 38.000 0.209 0.000 1.336 616 I HN 0.644 nan 8.210 nan 0.000 0.467 617 A N 0.000 122.896 122.820 0.127 0.000 2.254 617 A HA 0.000 3.487 4.320 -1.388 0.000 0.244 617 A CA 0.000 52.131 52.037 0.156 0.000 0.836 617 A CB 0.000 19.056 19.000 0.094 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486