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 3mwt_1_B DATA FIRST_RESID 8 DATA SEQUENCE KSFLWTQSLR RELSGYCSNI KLQVVKDAQA LLHGLDFSEV SNVQRLMRKE DATA SEQUENCE RRDDNDLKRL RDLNQAVNNL VELKSTQQKS ILRVGTLTSD DLLILAADLE DATA SEQUENCE KLKSKVIRTE RPLSAGVYMG NLSSQQLDQR RALLNMIGMS XXXXXXXXXX DATA SEQUENCE DGVVRVWDVK NAELLNNQFG TMPSLTLACL TKQGQVDLND AVQALTDLGL DATA SEQUENCE IYTAKYPNTS DLDRLTQSHP ILNMIDTKXS SLNISGYNFS LGAAVKAGAC DATA SEQUENCE MLDGGNMLET IKVSPQTMDG ILKSILKVKK ALGMFISDTP GERNPYENIL DATA SEQUENCE YKICLSGDGW PYIASRTSIT GRAWENTVVD XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXGLTY SQLMTLKDAM LQLDPNAKTW MDIEGRPEDP VEIALYQPSS DATA SEQUENCE GCYIHFFREP TDLKQFKQDA KYSHGIDVTD LFATQPGLTS AVIDALPRNM DATA SEQUENCE VITCQGSDDI RKLLESQGRK DIKLIDIALS KTDSRKYENA VWDQYKDLCH DATA SEQUENCE MHTGVVVEKX XXXXKEEITP HCALMDCIMF DAAVSGGLNT SVLRAVLPRD DATA SEQUENCE MVFR 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.395 176.600 -0.342 0.000 0.988 8 K CA 0.000 56.202 56.287 -0.142 0.000 0.838 8 K CB 0.000 32.515 32.500 0.024 0.000 1.064 9 S N 3.457 118.904 115.700 -0.421 0.000 2.372 9 S HA -0.213 4.256 4.470 -0.000 0.000 0.227 9 S C 1.730 176.312 174.600 -0.031 0.000 1.044 9 S CA 1.492 59.450 58.200 -0.402 0.000 1.050 9 S CB -0.646 62.384 63.200 -0.283 0.000 0.901 9 S HN 0.563 nan 8.310 nan 0.000 0.447 10 F N 2.383 122.317 119.950 -0.027 0.000 2.154 10 F HA -0.049 4.478 4.527 -0.000 0.000 0.301 10 F C 2.068 177.920 175.800 0.086 0.000 1.087 10 F CA 1.249 59.296 58.000 0.080 0.000 1.274 10 F CB -0.611 38.455 39.000 0.110 0.000 1.009 10 F HN 0.286 nan 8.300 nan 0.000 0.485 11 L N -0.765 120.485 121.223 0.044 0.000 2.017 11 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 11 L C 2.119 179.054 176.870 0.108 0.000 1.073 11 L CA 1.769 56.628 54.840 0.030 0.000 0.745 11 L CB -0.927 41.208 42.059 0.127 0.000 0.894 11 L HN 0.148 nan 8.230 nan 0.000 0.432 12 W N 0.328 121.573 121.300 -0.091 0.000 2.304 12 W HA -0.220 4.440 4.660 -0.000 0.000 0.315 12 W C 2.708 179.156 176.519 -0.117 0.000 1.233 12 W CA 1.874 59.165 57.345 -0.091 0.000 1.261 12 W CB -1.798 27.625 29.460 -0.063 0.000 1.150 12 W HN 0.150 nan 8.180 nan 0.000 0.494 13 T N 0.130 114.732 114.554 0.081 0.000 2.684 13 T HA -0.252 4.098 4.350 -0.000 0.000 0.267 13 T C 1.756 176.310 174.700 -0.244 0.000 1.036 13 T CA 1.990 64.043 62.100 -0.078 0.000 1.148 13 T CB -0.422 68.365 68.868 -0.134 0.000 0.863 13 T HN 0.264 nan 8.240 nan 0.000 0.436 14 Q N 0.397 119.938 119.800 -0.432 0.000 2.167 14 Q HA -0.016 4.323 4.340 -0.000 0.000 0.202 14 Q C 2.698 178.598 176.000 -0.167 0.000 0.970 14 Q CA 1.050 56.636 55.803 -0.362 0.000 0.855 14 Q CB -0.143 28.359 28.738 -0.394 0.000 0.911 14 Q HN 0.359 nan 8.270 nan 0.000 0.438 15 S N 0.730 116.367 115.700 -0.105 0.000 2.402 15 S HA -0.051 4.419 4.470 -0.000 0.000 0.229 15 S C 1.854 176.419 174.600 -0.057 0.000 1.021 15 S CA 0.730 58.892 58.200 -0.065 0.000 0.974 15 S CB -0.031 63.139 63.200 -0.051 0.000 0.800 15 S HN 0.279 nan 8.310 nan 0.000 0.484 16 L N 0.676 121.871 121.223 -0.046 0.000 2.072 16 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 16 L C 2.665 179.528 176.870 -0.012 0.000 1.079 16 L CA 0.974 55.807 54.840 -0.012 0.000 0.752 16 L CB -0.344 41.737 42.059 0.037 0.000 0.906 16 L HN 0.213 nan 8.230 nan 0.000 0.436 17 R N -0.175 120.293 120.500 -0.052 0.000 2.094 17 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 17 R C 2.370 178.648 176.300 -0.036 0.000 1.137 17 R CA 1.916 57.982 56.100 -0.058 0.000 0.943 17 R CB -0.432 29.799 30.300 -0.114 0.000 0.850 17 R HN 0.237 nan 8.270 nan 0.000 0.433 18 R N 0.987 121.460 120.500 -0.045 0.000 2.094 18 R HA -0.224 4.116 4.340 -0.000 0.000 0.239 18 R C 2.117 178.407 176.300 -0.016 0.000 1.137 18 R CA 2.146 58.226 56.100 -0.033 0.000 0.943 18 R CB -0.175 30.102 30.300 -0.038 0.000 0.850 18 R HN 0.092 nan 8.270 nan 0.000 0.433 19 E N -0.035 120.160 120.200 -0.007 0.000 2.152 19 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 19 E C 1.435 178.072 176.600 0.062 0.000 0.983 19 E CA 0.988 57.397 56.400 0.013 0.000 0.818 19 E CB 0.103 29.805 29.700 0.004 0.000 0.758 19 E HN 0.449 nan 8.360 nan 0.000 0.467 20 L N 0.010 121.284 121.223 0.085 0.000 2.628 20 L HA 0.170 4.510 4.340 -0.000 0.000 0.229 20 L C 1.982 178.936 176.870 0.139 0.000 1.137 20 L CA 0.134 55.093 54.840 0.199 0.000 0.909 20 L CB -0.020 42.147 42.059 0.179 0.000 1.137 20 L HN 0.112 nan 8.230 nan 0.000 0.470 21 S N 0.983 116.703 115.700 0.034 0.000 2.381 21 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 21 S C 2.049 176.615 174.600 -0.056 0.000 1.052 21 S CA 2.024 60.218 58.200 -0.010 0.000 1.068 21 S CB -0.304 62.878 63.200 -0.030 0.000 0.918 21 S HN 0.589 nan 8.310 nan 0.000 0.448 22 G N -1.378 107.327 108.800 -0.160 0.000 2.498 22 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 22 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 22 G C 0.745 175.404 174.900 -0.402 0.000 1.119 22 G CA 0.740 45.654 45.100 -0.311 0.000 0.766 22 G HN 0.682 nan 8.290 nan 0.000 0.552 23 Y N -0.417 119.885 120.300 0.004 0.000 2.458 23 Y HA 0.349 4.899 4.550 -0.000 0.000 0.256 23 Y C 1.481 177.394 175.900 0.022 0.000 1.159 23 Y CA -1.557 56.547 58.100 0.006 0.000 1.261 23 Y CB -0.386 38.078 38.460 0.006 0.000 1.119 23 Y HN 0.016 nan 8.280 nan 0.000 0.524 24 C N 0.068 119.439 119.300 0.118 0.000 2.443 24 C HA 0.678 5.137 4.460 -0.000 0.000 0.369 24 C C 0.759 175.800 174.990 0.086 0.000 1.241 24 C CA -0.456 58.623 59.018 0.100 0.000 2.413 24 C CB 1.018 28.794 27.740 0.059 0.000 2.451 24 C HN 0.377 nan 8.230 nan 0.000 0.595 25 S N 0.902 116.666 115.700 0.107 0.000 2.556 25 S HA 0.386 4.856 4.470 -0.000 0.000 0.271 25 S C -1.173 173.483 174.600 0.094 0.000 1.135 25 S CA -0.580 57.685 58.200 0.108 0.000 0.858 25 S CB 0.887 64.188 63.200 0.168 0.000 1.114 25 S HN 0.768 nan 8.310 nan 0.000 0.468 26 N N 1.813 120.556 118.700 0.072 0.000 2.420 26 N HA 0.353 5.093 4.740 -0.000 0.000 0.262 26 N C 0.553 176.099 175.510 0.060 0.000 1.144 26 N CA 0.065 53.148 53.050 0.055 0.000 0.952 26 N CB 0.212 38.721 38.487 0.037 0.000 1.081 26 N HN 0.623 nan 8.380 nan 0.000 0.480 27 I N -0.025 120.572 120.570 0.044 0.000 4.050 27 I HA 0.251 4.421 4.170 -0.000 0.000 0.327 27 I C 1.663 177.765 176.117 -0.025 0.000 1.473 27 I CA -0.474 60.832 61.300 0.010 0.000 1.124 27 I CB 0.385 38.374 38.000 -0.017 0.000 1.129 27 I HN 0.322 nan 8.210 nan 0.000 0.428 28 K N 1.965 122.361 120.400 -0.008 0.000 2.020 28 K HA -0.138 4.181 4.320 -0.000 0.000 0.212 28 K C 1.963 178.549 176.600 -0.023 0.000 1.050 28 K CA 1.917 58.196 56.287 -0.014 0.000 0.929 28 K CB -0.159 32.339 32.500 -0.003 0.000 0.714 28 K HN 0.472 nan 8.250 nan 0.000 0.443 29 L N 0.807 122.020 121.223 -0.016 0.000 2.042 29 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 29 L C 2.710 179.558 176.870 -0.035 0.000 1.076 29 L CA 1.482 56.311 54.840 -0.018 0.000 0.749 29 L CB -0.272 41.782 42.059 -0.008 0.000 0.893 29 L HN 0.378 nan 8.230 nan 0.000 0.432 30 Q N -1.163 118.604 119.800 -0.054 0.000 2.084 30 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 30 Q C 2.231 178.165 176.000 -0.111 0.000 0.978 30 Q CA 1.570 57.315 55.803 -0.097 0.000 0.844 30 Q CB -0.015 28.632 28.738 -0.152 0.000 0.898 30 Q HN 0.355 nan 8.270 nan 0.000 0.426 31 V N -0.452 119.402 119.914 -0.100 0.000 2.379 31 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 31 V C 2.098 178.163 176.094 -0.049 0.000 1.044 31 V CA 1.113 63.359 62.300 -0.089 0.000 1.036 31 V CB -0.190 31.589 31.823 -0.073 0.000 0.664 31 V HN 0.182 nan 8.190 nan 0.000 0.453 32 V N -0.019 119.874 119.914 -0.034 0.000 2.343 32 V HA -0.267 3.852 4.120 -0.000 0.000 0.247 32 V C 2.519 178.605 176.094 -0.014 0.000 1.051 32 V CA 2.123 64.413 62.300 -0.016 0.000 1.036 32 V CB -0.653 31.163 31.823 -0.012 0.000 0.654 32 V HN 0.505 nan 8.190 nan 0.000 0.451 33 K N -0.108 120.277 120.400 -0.025 0.000 2.044 33 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 33 K C 1.868 178.457 176.600 -0.018 0.000 1.049 33 K CA 2.176 58.450 56.287 -0.023 0.000 0.927 33 K CB -0.349 32.132 32.500 -0.032 0.000 0.713 33 K HN 0.449 nan 8.250 nan 0.000 0.443 34 D N 0.052 120.432 120.400 -0.033 0.000 2.144 34 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 34 D C 1.726 178.035 176.300 0.015 0.000 0.978 34 D CA 1.169 55.156 54.000 -0.022 0.000 0.833 34 D CB -0.156 40.611 40.800 -0.055 0.000 0.961 34 D HN 0.309 nan 8.370 nan 0.000 0.470 35 A N 0.680 123.511 122.820 0.018 0.000 1.972 35 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 35 A C 2.079 179.709 177.584 0.077 0.000 1.169 35 A CA 1.402 53.471 52.037 0.053 0.000 0.635 35 A CB -0.515 18.506 19.000 0.036 0.000 0.810 35 A HN 0.241 nan 8.150 nan 0.000 0.446 36 Q N -0.899 118.931 119.800 0.051 0.000 2.187 36 Q HA 0.048 4.388 4.340 -0.000 0.000 0.199 36 Q C 2.372 178.426 176.000 0.090 0.000 0.957 36 Q CA 1.007 56.846 55.803 0.061 0.000 0.857 36 Q CB -0.297 28.455 28.738 0.023 0.000 0.929 36 Q HN 0.678 nan 8.270 nan 0.000 0.453 37 A N 0.932 123.795 122.820 0.071 0.000 1.930 37 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 37 A C 2.044 179.710 177.584 0.137 0.000 1.175 37 A CA 0.899 52.992 52.037 0.093 0.000 0.627 37 A CB -0.561 18.468 19.000 0.050 0.000 0.815 37 A HN 0.258 nan 8.150 nan 0.000 0.443 38 L N -0.647 120.657 121.223 0.135 0.000 2.017 38 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 38 L C 2.553 179.623 176.870 0.334 0.000 1.073 38 L CA 1.219 56.164 54.840 0.176 0.000 0.745 38 L CB -0.675 41.505 42.059 0.202 0.000 0.894 38 L HN 0.360 nan 8.230 nan 0.000 0.432 39 L N -0.850 120.587 121.223 0.358 0.000 2.079 39 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 39 L C 2.555 179.623 176.870 0.330 0.000 1.081 39 L CA 1.444 56.506 54.840 0.370 0.000 0.752 39 L CB -0.575 41.579 42.059 0.158 0.000 0.896 39 L HN 0.373 nan 8.230 nan 0.000 0.433 40 H N -1.085 118.076 119.070 0.152 0.000 2.525 40 H HA 0.046 4.602 4.556 -0.000 0.000 0.275 40 H C 1.799 177.177 175.328 0.084 0.000 0.984 40 H CA 1.022 57.130 56.048 0.100 0.000 1.264 40 H CB 0.393 30.192 29.762 0.061 0.000 1.432 40 H HN 0.180 nan 8.280 nan 0.000 0.549 41 G N -0.422 108.446 108.800 0.113 0.000 2.944 41 G HA2 0.137 4.097 3.960 -0.000 0.000 0.223 41 G HA3 0.137 4.097 3.960 -0.000 0.000 0.223 41 G C -0.356 174.515 174.900 -0.049 0.000 1.071 41 G CA -0.190 44.919 45.100 0.014 0.000 0.806 41 G HN 0.216 nan 8.290 nan 0.000 0.538 42 L N 1.252 122.419 121.223 -0.093 0.000 2.322 42 L HA 0.543 4.883 4.340 -0.000 0.000 0.279 42 L C -1.028 175.615 176.870 -0.378 0.000 1.036 42 L CA -0.930 53.727 54.840 -0.305 0.000 0.807 42 L CB 1.881 43.622 42.059 -0.529 0.000 1.226 42 L HN -0.100 nan 8.230 nan 0.000 0.433 43 D N 2.701 122.918 120.400 -0.306 0.000 2.352 43 D HA 0.054 4.694 4.640 -0.000 0.000 0.245 43 D C 0.574 176.696 176.300 -0.297 0.000 1.224 43 D CA 0.251 54.131 54.000 -0.200 0.000 0.879 43 D CB 0.312 41.043 40.800 -0.114 0.000 1.057 43 D HN 0.392 nan 8.370 nan 0.000 0.491 44 F N 1.447 121.405 119.950 0.014 0.000 2.661 44 F HA -0.080 4.447 4.527 0.000 0.000 0.298 44 F C 2.626 178.436 175.800 0.016 0.000 1.137 44 F CA 0.528 58.546 58.000 0.029 0.000 1.454 44 F CB -0.120 38.910 39.000 0.050 0.000 1.103 44 F HN 0.393 nan 8.300 nan 0.000 0.577 45 S N -0.674 115.091 115.700 0.109 0.000 2.428 45 S HA -0.161 4.309 4.470 -0.000 0.000 0.230 45 S C 1.905 176.504 174.600 -0.001 0.000 1.014 45 S CA 1.113 59.348 58.200 0.058 0.000 0.957 45 S CB -0.228 62.995 63.200 0.038 0.000 0.784 45 S HN 0.284 nan 8.310 nan 0.000 0.499 46 E N 1.535 121.702 120.200 -0.055 0.000 2.158 46 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 46 E C 1.881 178.382 176.600 -0.166 0.000 0.982 46 E CA 0.784 57.118 56.400 -0.109 0.000 0.823 46 E CB -0.625 28.993 29.700 -0.137 0.000 0.766 46 E HN 0.364 nan 8.360 nan 0.000 0.468 47 V N 0.367 120.187 119.914 -0.157 0.000 2.255 47 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 47 V C 2.437 178.503 176.094 -0.047 0.000 1.051 47 V CA 2.054 64.267 62.300 -0.145 0.000 1.018 47 V CB -1.009 30.867 31.823 0.089 0.000 0.641 47 V HN 0.361 nan 8.190 nan 0.000 0.445 48 S N 0.295 116.021 115.700 0.043 0.000 2.402 48 S HA -0.302 4.168 4.470 -0.000 0.000 0.233 48 S C 1.892 176.494 174.600 0.005 0.000 1.030 48 S CA 2.336 60.569 58.200 0.054 0.000 1.003 48 S CB -0.614 62.633 63.200 0.077 0.000 0.813 48 S HN 0.706 nan 8.310 nan 0.000 0.477 49 N N 0.101 118.780 118.700 -0.034 0.000 2.250 49 N HA 0.009 4.749 4.740 -0.000 0.000 0.181 49 N C 1.508 176.983 175.510 -0.058 0.000 1.017 49 N CA 1.384 54.410 53.050 -0.040 0.000 0.866 49 N CB -0.251 38.207 38.487 -0.049 0.000 0.985 49 N HN 0.272 nan 8.380 nan 0.000 0.429 50 V N 0.779 120.620 119.914 -0.122 0.000 2.453 50 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 50 V C 2.114 178.177 176.094 -0.052 0.000 1.048 50 V CA 1.453 63.667 62.300 -0.143 0.000 1.049 50 V CB -0.605 30.985 31.823 -0.388 0.000 0.672 50 V HN 0.394 nan 8.190 nan 0.000 0.457 51 Q N -0.206 119.576 119.800 -0.030 0.000 2.135 51 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 51 Q C 2.455 178.473 176.000 0.030 0.000 0.981 51 Q CA 1.916 57.740 55.803 0.034 0.000 0.856 51 Q CB -0.321 28.455 28.738 0.062 0.000 0.902 51 Q HN 0.546 nan 8.270 nan 0.000 0.425 52 R N 0.825 121.333 120.500 0.014 0.000 2.075 52 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 52 R C 2.081 178.378 176.300 -0.004 0.000 1.126 52 R CA 1.008 57.113 56.100 0.008 0.000 0.963 52 R CB -0.130 30.172 30.300 0.004 0.000 0.858 52 R HN 0.252 nan 8.270 nan 0.000 0.435 53 L N 0.188 121.407 121.223 -0.007 0.000 2.093 53 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 53 L C 2.552 179.402 176.870 -0.034 0.000 1.085 53 L CA 0.836 55.666 54.840 -0.018 0.000 0.755 53 L CB -0.355 41.710 42.059 0.009 0.000 0.904 53 L HN 0.217 nan 8.230 nan 0.000 0.435 54 M N -0.467 119.144 119.600 0.018 0.000 2.319 54 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 54 M C 2.248 178.545 176.300 -0.006 0.000 1.068 54 M CA 1.358 56.680 55.300 0.036 0.000 1.118 54 M CB -0.898 31.781 32.600 0.131 0.000 1.395 54 M HN 0.213 nan 8.290 nan 0.000 0.435 55 R N 0.594 121.093 120.500 -0.002 0.000 2.193 55 R HA -0.037 4.303 4.340 -0.000 0.000 0.229 55 R C 0.484 176.757 176.300 -0.045 0.000 1.110 55 R CA 0.573 56.665 56.100 -0.014 0.000 0.988 55 R CB -0.196 30.106 30.300 0.003 0.000 0.871 55 R HN 0.395 nan 8.270 nan 0.000 0.458 56 K N 1.128 121.484 120.400 -0.073 0.000 2.436 56 K HA -0.054 4.266 4.320 -0.000 0.000 0.275 56 K C 0.902 177.422 176.600 -0.132 0.000 0.999 56 K CA -0.055 56.172 56.287 -0.100 0.000 0.980 56 K CB 0.599 33.023 32.500 -0.128 0.000 0.919 56 K HN -0.012 nan 8.250 nan 0.000 0.484 57 E N 2.352 122.487 120.200 -0.109 0.000 2.107 57 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 57 E C 0.019 176.527 176.600 -0.154 0.000 0.982 57 E CA 1.245 57.578 56.400 -0.112 0.000 0.809 57 E CB 0.213 29.867 29.700 -0.076 0.000 0.756 57 E HN 0.410 nan 8.360 nan 0.000 0.459 58 R N 0.427 120.836 120.500 -0.152 0.000 2.513 58 R HA 0.464 4.804 4.340 -0.000 0.000 0.301 58 R C -0.346 175.831 176.300 -0.205 0.000 0.968 58 R CA -0.407 55.591 56.100 -0.169 0.000 0.872 58 R CB 2.116 32.361 30.300 -0.091 0.000 1.177 58 R HN -0.124 nan 8.270 nan 0.000 0.444 59 R N 1.296 121.605 120.500 -0.319 0.000 2.670 59 R HA 0.327 4.667 4.340 -0.000 0.000 0.289 59 R C -0.797 175.464 176.300 -0.065 0.000 0.965 59 R CA -0.984 54.906 56.100 -0.350 0.000 0.899 59 R CB 1.555 31.264 30.300 -0.984 0.000 1.173 59 R HN 0.658 nan 8.270 nan 0.000 0.456 60 D N -0.609 119.839 120.400 0.080 0.000 2.666 60 D HA 0.148 4.788 4.640 -0.000 0.000 0.252 60 D C 0.045 176.502 176.300 0.261 0.000 1.143 60 D CA -0.644 53.461 54.000 0.175 0.000 1.096 60 D CB 0.420 41.277 40.800 0.095 0.000 1.260 60 D HN 0.231 nan 8.370 nan 0.000 0.633 61 D N -0.924 119.586 120.400 0.182 0.000 2.144 61 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 61 D C 1.336 177.712 176.300 0.127 0.000 0.984 61 D CA 0.870 54.961 54.000 0.152 0.000 0.834 61 D CB -0.059 40.799 40.800 0.098 0.000 0.955 61 D HN 0.299 nan 8.370 nan 0.000 0.465 62 N N 1.483 120.244 118.700 0.101 0.000 2.149 62 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 62 N C 1.299 176.867 175.510 0.098 0.000 1.019 62 N CA 0.942 54.038 53.050 0.075 0.000 0.857 62 N CB -0.315 38.204 38.487 0.052 0.000 0.997 62 N HN 0.309 nan 8.380 nan 0.000 0.426 63 D N 0.788 121.279 120.400 0.151 0.000 2.097 63 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 63 D C 2.098 178.572 176.300 0.289 0.000 0.984 63 D CA 0.394 54.513 54.000 0.198 0.000 0.826 63 D CB -0.441 40.469 40.800 0.184 0.000 0.973 63 D HN 0.113 nan 8.370 nan 0.000 0.460 64 L N 1.482 122.939 121.223 0.390 0.000 2.127 64 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 64 L C 2.026 178.919 176.870 0.037 0.000 1.089 64 L CA 1.724 56.661 54.840 0.161 0.000 0.757 64 L CB -0.450 41.599 42.059 -0.017 0.000 0.899 64 L HN -0.104 nan 8.230 nan 0.000 0.434 65 K N -1.209 119.221 120.400 0.050 0.000 2.103 65 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 65 K C 2.198 178.791 176.600 -0.010 0.000 1.052 65 K CA 0.644 56.934 56.287 0.006 0.000 0.945 65 K CB -0.011 32.497 32.500 0.013 0.000 0.722 65 K HN 0.236 nan 8.250 nan 0.000 0.443 66 R N 0.785 121.289 120.500 0.006 0.000 2.096 66 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 66 R C 2.370 178.630 176.300 -0.066 0.000 1.127 66 R CA 0.883 56.966 56.100 -0.027 0.000 0.968 66 R CB -0.674 29.614 30.300 -0.019 0.000 0.861 66 R HN 0.254 nan 8.270 nan 0.000 0.440 67 L N 1.273 122.471 121.223 -0.041 0.000 2.017 67 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 67 L C 2.341 179.144 176.870 -0.111 0.000 1.073 67 L CA 1.703 56.486 54.840 -0.094 0.000 0.745 67 L CB -0.269 41.754 42.059 -0.060 0.000 0.894 67 L HN -0.035 nan 8.230 nan 0.000 0.432 68 R N -0.383 120.055 120.500 -0.104 0.000 2.073 68 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 68 R C 1.971 178.229 176.300 -0.069 0.000 1.134 68 R CA 1.594 57.635 56.100 -0.098 0.000 0.952 68 R CB -0.608 29.639 30.300 -0.089 0.000 0.850 68 R HN 0.417 nan 8.270 nan 0.000 0.433 69 D N 0.725 121.088 120.400 -0.062 0.000 2.117 69 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 69 D C 1.822 178.085 176.300 -0.062 0.000 0.987 69 D CA 0.858 54.825 54.000 -0.055 0.000 0.829 69 D CB -0.241 40.528 40.800 -0.051 0.000 0.961 69 D HN 0.020 nan 8.370 nan 0.000 0.460 70 L N 1.279 122.449 121.223 -0.088 0.000 2.017 70 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 70 L C 1.609 178.476 176.870 -0.004 0.000 1.073 70 L CA 1.637 56.417 54.840 -0.100 0.000 0.745 70 L CB -0.710 41.202 42.059 -0.243 0.000 0.894 70 L HN -0.084 nan 8.230 nan 0.000 0.432 71 N N -0.458 118.260 118.700 0.029 0.000 2.104 71 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 71 N C 1.863 177.374 175.510 0.003 0.000 1.024 71 N CA 1.469 54.550 53.050 0.051 0.000 0.853 71 N CB -0.355 38.126 38.487 -0.011 0.000 1.008 71 N HN 0.461 nan 8.380 nan 0.000 0.424 72 Q N 0.718 120.505 119.800 -0.021 0.000 2.167 72 Q HA 0.114 4.454 4.340 -0.000 0.000 0.202 72 Q C 1.792 177.781 176.000 -0.020 0.000 0.970 72 Q CA 1.497 57.286 55.803 -0.023 0.000 0.855 72 Q CB -0.399 28.322 28.738 -0.028 0.000 0.911 72 Q HN 0.349 nan 8.270 nan 0.000 0.438 73 A N -0.662 122.142 122.820 -0.026 0.000 1.933 73 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 73 A C 2.226 179.795 177.584 -0.025 0.000 1.175 73 A CA 1.566 53.584 52.037 -0.033 0.000 0.628 73 A CB -0.732 18.234 19.000 -0.057 0.000 0.814 73 A HN 0.266 nan 8.150 nan 0.000 0.444 74 V N 0.650 120.558 119.914 -0.010 0.000 2.270 74 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 74 V C 2.401 178.491 176.094 -0.006 0.000 1.043 74 V CA 2.321 64.619 62.300 -0.003 0.000 1.014 74 V CB -1.108 30.728 31.823 0.022 0.000 0.645 74 V HN 0.795 nan 8.190 nan 0.000 0.447 75 N N 0.707 119.403 118.700 -0.006 0.000 2.205 75 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 75 N C 1.565 177.074 175.510 -0.002 0.000 1.015 75 N CA 1.531 54.577 53.050 -0.005 0.000 0.862 75 N CB -0.213 38.270 38.487 -0.007 0.000 0.986 75 N HN 0.416 nan 8.380 nan 0.000 0.429 76 N N -0.091 118.606 118.700 -0.004 0.000 2.289 76 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 76 N C 1.197 176.710 175.510 0.004 0.000 1.016 76 N CA 0.716 53.766 53.050 -0.000 0.000 0.872 76 N CB -0.074 38.410 38.487 -0.004 0.000 0.973 76 N HN 0.397 nan 8.380 nan 0.000 0.433 77 L N 0.077 121.302 121.223 0.003 0.000 2.477 77 L HA 0.138 4.478 4.340 -0.000 0.000 0.220 77 L C 0.611 177.485 176.870 0.007 0.000 1.106 77 L CA -0.044 54.803 54.840 0.012 0.000 0.851 77 L CB 0.161 42.230 42.059 0.016 0.000 0.994 77 L HN -0.055 nan 8.230 nan 0.000 0.462 78 V N -4.405 115.507 119.914 -0.004 0.000 2.850 78 V HA 0.385 4.505 4.120 -0.000 0.000 0.315 78 V C 0.761 176.841 176.094 -0.023 0.000 1.064 78 V CA -0.659 61.630 62.300 -0.020 0.000 0.979 78 V CB 1.879 33.682 31.823 -0.035 0.000 1.039 78 V HN -0.007 nan 8.190 nan 0.000 0.452 79 E N 1.473 121.643 120.200 -0.050 0.000 2.307 79 E HA 0.259 4.609 4.350 -0.000 0.000 0.195 79 E C 0.518 177.071 176.600 -0.078 0.000 0.975 79 E CA 0.381 56.756 56.400 -0.042 0.000 0.878 79 E CB 0.288 29.961 29.700 -0.045 0.000 0.845 79 E HN 0.692 nan 8.360 nan 0.000 0.488 80 L N 3.565 124.669 121.223 -0.198 0.000 2.385 80 L HA 0.138 4.478 4.340 -0.000 0.000 0.285 80 L C 0.271 177.107 176.870 -0.058 0.000 1.125 80 L CA 0.086 54.703 54.840 -0.371 0.000 0.890 80 L CB -0.086 41.623 42.059 -0.583 0.000 1.251 80 L HN -0.123 nan 8.230 nan 0.000 0.445 81 K N 1.069 121.561 120.400 0.154 0.000 2.477 81 K HA 0.641 4.961 4.320 -0.000 0.000 0.255 81 K C -0.982 175.779 176.600 0.268 0.000 0.952 81 K CA -0.843 55.546 56.287 0.171 0.000 0.826 81 K CB 1.910 34.463 32.500 0.088 0.000 1.331 81 K HN 0.059 nan 8.250 nan 0.000 0.437 82 S N 1.142 116.948 115.700 0.176 0.000 2.585 82 S HA 0.401 4.871 4.470 -0.000 0.000 0.277 82 S C -0.400 174.240 174.600 0.066 0.000 1.241 82 S CA -0.637 57.638 58.200 0.124 0.000 1.041 82 S CB 1.184 64.435 63.200 0.084 0.000 0.987 82 S HN 0.636 nan 8.310 nan 0.000 0.512 83 T N 0.546 115.120 114.554 0.033 0.000 2.925 83 T HA 0.455 4.805 4.350 -0.000 0.000 0.285 83 T C -0.334 174.358 174.700 -0.014 0.000 1.021 83 T CA -0.971 61.136 62.100 0.011 0.000 1.042 83 T CB 0.972 69.847 68.868 0.012 0.000 1.037 83 T HN 0.399 nan 8.240 nan 0.000 0.481 84 Q N 1.424 121.212 119.800 -0.020 0.000 2.262 84 Q HA 0.177 4.517 4.340 -0.000 0.000 0.298 84 Q C -0.652 175.324 176.000 -0.039 0.000 1.083 84 Q CA 0.800 56.582 55.803 -0.034 0.000 0.962 84 Q CB 0.206 28.924 28.738 -0.033 0.000 1.104 84 Q HN 0.660 nan 8.270 nan 0.000 0.376 85 Q N 2.803 122.572 119.800 -0.051 0.000 2.526 85 Q HA 0.269 4.609 4.340 -0.000 0.000 0.238 85 Q C -1.860 174.104 176.000 -0.061 0.000 0.866 85 Q CA -0.372 55.400 55.803 -0.053 0.000 0.801 85 Q CB 0.893 29.598 28.738 -0.056 0.000 1.380 85 Q HN 0.562 nan 8.270 nan 0.000 0.446 86 K N 1.464 121.832 120.400 -0.055 0.000 2.298 86 K HA 0.591 4.911 4.320 -0.000 0.000 0.280 86 K C -0.804 175.765 176.600 -0.052 0.000 1.032 86 K CA 0.037 56.291 56.287 -0.057 0.000 0.958 86 K CB 0.702 33.174 32.500 -0.048 0.000 0.978 86 K HN 0.583 nan 8.250 nan 0.000 0.472 87 S N 3.894 119.561 115.700 -0.055 0.000 2.473 87 S HA 0.500 4.970 4.470 -0.000 0.000 0.307 87 S C -0.585 173.992 174.600 -0.038 0.000 1.094 87 S CA -0.750 57.421 58.200 -0.049 0.000 1.070 87 S CB 0.746 63.911 63.200 -0.059 0.000 1.019 87 S HN 0.477 nan 8.310 nan 0.000 0.480 88 I N 3.576 124.128 120.570 -0.030 0.000 2.389 88 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 88 I C -0.923 175.183 176.117 -0.019 0.000 0.999 88 I CA -0.658 60.630 61.300 -0.021 0.000 1.129 88 I CB 1.211 39.202 38.000 -0.017 0.000 1.288 88 I HN 0.342 nan 8.210 nan 0.000 0.444 89 L N 7.152 128.365 121.223 -0.015 0.000 2.275 89 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 89 L C -0.021 176.845 176.870 -0.008 0.000 1.046 89 L CA -0.536 54.296 54.840 -0.014 0.000 0.805 89 L CB 0.529 42.581 42.059 -0.012 0.000 1.193 89 L HN 0.580 nan 8.230 nan 0.000 0.426 90 R N 1.946 122.441 120.500 -0.008 0.000 2.892 90 R HA 0.612 4.951 4.340 -0.000 0.000 0.265 90 R C -0.998 175.299 176.300 -0.005 0.000 1.025 90 R CA -1.211 54.886 56.100 -0.006 0.000 0.982 90 R CB 1.812 32.108 30.300 -0.006 0.000 1.185 90 R HN 0.207 nan 8.270 nan 0.000 0.484 91 V N 1.617 121.529 119.914 -0.003 0.000 2.557 91 V HA 0.190 4.310 4.120 -0.000 0.000 0.301 91 V C 0.883 176.975 176.094 -0.003 0.000 1.026 91 V CA 1.650 63.948 62.300 -0.003 0.000 1.137 91 V CB 0.372 32.194 31.823 -0.002 0.000 0.917 91 V HN 1.100 nan 8.190 nan 0.000 0.484 92 G N 3.445 112.243 108.800 -0.003 0.000 3.019 92 G HA2 0.023 3.983 3.960 -0.000 0.000 0.125 92 G HA3 0.023 3.983 3.960 -0.000 0.000 0.125 92 G C 0.806 175.705 174.900 -0.001 0.000 1.193 92 G CA 0.423 45.522 45.100 -0.002 0.000 1.432 92 G HN 0.417 nan 8.290 nan 0.000 0.687 93 T N 1.572 116.126 114.554 -0.000 0.000 2.665 93 T HA -0.016 4.334 4.350 -0.000 0.000 0.268 93 T C 1.244 175.944 174.700 0.001 0.000 1.035 93 T CA 1.020 63.122 62.100 0.003 0.000 1.151 93 T CB -0.409 68.462 68.868 0.005 0.000 0.862 93 T HN 0.161 nan 8.240 nan 0.000 0.438 94 L N 2.713 123.935 121.223 -0.002 0.000 2.331 94 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 94 L C 1.129 177.998 176.870 -0.002 0.000 1.106 94 L CA -0.845 53.993 54.840 -0.002 0.000 0.824 94 L CB 0.678 42.735 42.059 -0.003 0.000 1.142 94 L HN 0.255 nan 8.230 nan 0.000 0.443 95 T N -0.843 113.710 114.554 -0.002 0.000 2.766 95 T HA 0.081 4.431 4.350 -0.000 0.000 0.295 95 T C 1.311 176.010 174.700 -0.000 0.000 1.024 95 T CA -0.483 61.617 62.100 -0.001 0.000 1.018 95 T CB 0.983 69.850 68.868 -0.003 0.000 1.002 95 T HN 0.586 nan 8.240 nan 0.000 0.532 96 S N 0.543 116.243 115.700 -0.000 0.000 2.365 96 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 96 S C 1.725 176.326 174.600 0.002 0.000 1.039 96 S CA 1.711 59.911 58.200 0.001 0.000 1.033 96 S CB -0.701 62.499 63.200 -0.000 0.000 0.887 96 S HN 0.969 nan 8.310 nan 0.000 0.447 97 D N 1.127 121.528 120.400 0.001 0.000 2.149 97 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 97 D C 1.395 177.697 176.300 0.004 0.000 0.972 97 D CA 0.995 54.996 54.000 0.002 0.000 0.835 97 D CB -0.254 40.545 40.800 -0.001 0.000 0.966 97 D HN 0.155 nan 8.370 nan 0.000 0.476 98 D N 0.152 120.553 120.400 0.002 0.000 2.133 98 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 98 D C 2.262 178.570 176.300 0.012 0.000 0.997 98 D CA 0.689 54.693 54.000 0.005 0.000 0.840 98 D CB -0.282 40.519 40.800 0.001 0.000 0.947 98 D HN 0.347 nan 8.370 nan 0.000 0.452 99 L N 0.286 121.515 121.223 0.010 0.000 2.083 99 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 99 L C 2.589 179.469 176.870 0.017 0.000 1.083 99 L CA 0.628 55.475 54.840 0.012 0.000 0.752 99 L CB -0.365 41.698 42.059 0.007 0.000 0.899 99 L HN 0.048 nan 8.230 nan 0.000 0.433 100 L N -0.553 120.679 121.223 0.015 0.000 2.056 100 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 100 L C 2.478 179.364 176.870 0.027 0.000 1.078 100 L CA 1.217 56.068 54.840 0.018 0.000 0.749 100 L CB -0.435 41.632 42.059 0.013 0.000 0.901 100 L HN 0.186 nan 8.230 nan 0.000 0.433 101 I N -0.190 120.397 120.570 0.029 0.000 2.179 101 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 101 I C 2.464 178.620 176.117 0.065 0.000 1.088 101 I CA 1.452 62.779 61.300 0.045 0.000 1.357 101 I CB -0.218 37.804 38.000 0.037 0.000 1.051 101 I HN 0.197 nan 8.210 nan 0.000 0.409 102 L N 0.261 121.517 121.223 0.056 0.000 2.027 102 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 102 L C 2.828 179.728 176.870 0.050 0.000 1.074 102 L CA 1.385 56.262 54.840 0.062 0.000 0.745 102 L CB -0.647 41.438 42.059 0.044 0.000 0.898 102 L HN 0.233 nan 8.230 nan 0.000 0.433 103 A N -0.109 122.734 122.820 0.039 0.000 1.902 103 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 103 A C 2.506 180.112 177.584 0.035 0.000 1.181 103 A CA 1.776 53.834 52.037 0.035 0.000 0.623 103 A CB -0.788 18.228 19.000 0.027 0.000 0.818 103 A HN 0.415 nan 8.150 nan 0.000 0.443 104 A N -0.231 122.613 122.820 0.039 0.000 1.908 104 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 104 A C 1.807 179.423 177.584 0.053 0.000 1.181 104 A CA 1.997 54.059 52.037 0.043 0.000 0.627 104 A CB -0.525 18.503 19.000 0.048 0.000 0.818 104 A HN 0.456 nan 8.150 nan 0.000 0.445 105 D N -0.304 120.139 120.400 0.072 0.000 2.194 105 D HA -0.008 4.632 4.640 -0.000 0.000 0.204 105 D C 1.978 178.298 176.300 0.033 0.000 0.964 105 D CA 0.576 54.622 54.000 0.077 0.000 0.846 105 D CB -0.245 40.635 40.800 0.133 0.000 0.962 105 D HN 0.422 nan 8.370 nan 0.000 0.490 106 L N 0.948 122.193 121.223 0.037 0.000 2.042 106 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 106 L C 2.478 179.355 176.870 0.011 0.000 1.076 106 L CA 1.180 56.051 54.840 0.051 0.000 0.749 106 L CB -0.314 41.790 42.059 0.076 0.000 0.893 106 L HN 0.070 nan 8.230 nan 0.000 0.432 107 E N 0.794 120.988 120.200 -0.010 0.000 2.051 107 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 107 E C 2.121 178.663 176.600 -0.097 0.000 0.991 107 E CA 1.390 57.749 56.400 -0.070 0.000 0.799 107 E CB 0.105 29.781 29.700 -0.039 0.000 0.748 107 E HN 0.445 nan 8.360 nan 0.000 0.449 108 K N 0.308 120.689 120.400 -0.032 0.000 2.063 108 K HA -0.182 4.137 4.320 -0.000 0.000 0.208 108 K C 2.301 178.875 176.600 -0.043 0.000 1.048 108 K CA 1.212 57.488 56.287 -0.018 0.000 0.928 108 K CB -0.235 32.297 32.500 0.054 0.000 0.713 108 K HN 0.111 nan 8.250 nan 0.000 0.442 109 L N 1.970 123.178 121.223 -0.024 0.000 2.056 109 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 109 L C 2.311 179.135 176.870 -0.077 0.000 1.078 109 L CA 1.736 56.587 54.840 0.017 0.000 0.749 109 L CB -0.385 41.736 42.059 0.104 0.000 0.901 109 L HN 0.052 nan 8.230 nan 0.000 0.433 110 K N -1.115 119.103 120.400 -0.304 0.000 2.044 110 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 110 K C 2.294 178.506 176.600 -0.646 0.000 1.049 110 K CA 1.907 57.594 56.287 -0.999 0.000 0.927 110 K CB -0.474 31.196 32.500 -1.384 0.000 0.713 110 K HN 0.398 nan 8.250 nan 0.000 0.443 111 S N 0.642 116.123 115.700 -0.366 0.000 2.356 111 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 111 S C 1.962 176.466 174.600 -0.159 0.000 1.032 111 S CA 1.910 59.964 58.200 -0.243 0.000 1.005 111 S CB -0.349 62.737 63.200 -0.189 0.000 0.867 111 S HN 0.499 nan 8.310 nan 0.000 0.449 112 K N 0.979 121.318 120.400 -0.103 0.000 2.009 112 K HA -0.058 4.262 4.320 -0.000 0.000 0.210 112 K C 1.823 178.399 176.600 -0.039 0.000 1.049 112 K CA 2.196 58.458 56.287 -0.043 0.000 0.929 112 K CB -0.967 31.538 32.500 0.008 0.000 0.714 112 K HN 0.266 nan 8.250 nan 0.000 0.440 113 V N 1.270 121.167 119.914 -0.029 0.000 2.295 113 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 113 V C 2.398 178.516 176.094 0.039 0.000 1.049 113 V CA 2.072 64.392 62.300 0.033 0.000 1.024 113 V CB -0.441 31.513 31.823 0.219 0.000 0.648 113 V HN 0.352 nan 8.190 nan 0.000 0.447 114 I N -0.411 120.138 120.570 -0.034 0.000 2.208 114 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 114 I C 2.712 178.818 176.117 -0.018 0.000 1.097 114 I CA 1.652 62.949 61.300 -0.005 0.000 1.363 114 I CB -0.418 37.534 38.000 -0.080 0.000 1.051 114 I HN 0.232 nan 8.210 nan 0.000 0.413 115 R N -0.231 120.240 120.500 -0.048 0.000 2.193 115 R HA -0.053 4.287 4.340 -0.000 0.000 0.213 115 R C 2.220 178.506 176.300 -0.023 0.000 1.055 115 R CA 1.356 57.432 56.100 -0.041 0.000 0.995 115 R CB -0.230 30.035 30.300 -0.058 0.000 0.893 115 R HN 0.326 nan 8.270 nan 0.000 0.459 116 T N 0.422 114.964 114.554 -0.020 0.000 2.851 116 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 116 T C 1.378 176.066 174.700 -0.019 0.000 1.043 116 T CA 1.102 63.190 62.100 -0.020 0.000 1.140 116 T CB 0.114 68.967 68.868 -0.025 0.000 0.872 116 T HN 0.329 nan 8.240 nan 0.000 0.446 117 E N 0.259 120.452 120.200 -0.011 0.000 2.206 117 E HA 0.178 4.528 4.350 -0.000 0.000 0.195 117 E C 2.338 178.943 176.600 0.009 0.000 0.935 117 E CA -0.097 56.294 56.400 -0.015 0.000 0.875 117 E CB 0.070 29.758 29.700 -0.020 0.000 0.841 117 E HN 0.162 nan 8.360 nan 0.000 0.477 118 R N 1.096 121.613 120.500 0.028 0.000 2.103 118 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 118 R C -0.760 175.562 176.300 0.036 0.000 1.142 118 R CA 1.672 57.795 56.100 0.038 0.000 0.960 118 R CB -0.780 29.545 30.300 0.041 0.000 0.858 118 R HN 0.055 nan 8.270 nan 0.000 0.439 119 P HA -0.150 nan 4.420 nan 0.000 0.219 119 P C 0.890 178.216 177.300 0.044 0.000 1.146 119 P CA 1.187 64.303 63.100 0.028 0.000 0.808 119 P CB -0.027 31.680 31.700 0.012 0.000 0.779 120 L N -0.802 120.454 121.223 0.054 0.000 2.081 120 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 120 L C 2.427 179.397 176.870 0.168 0.000 1.080 120 L CA 2.193 57.092 54.840 0.100 0.000 0.754 120 L CB -1.035 41.098 42.059 0.125 0.000 0.893 120 L HN 0.158 nan 8.230 nan 0.000 0.433 121 S N -1.256 114.532 115.700 0.147 0.000 2.452 121 S HA 0.147 4.617 4.470 -0.000 0.000 0.225 121 S C 2.101 176.764 174.600 0.104 0.000 1.057 121 S CA 0.265 58.560 58.200 0.158 0.000 0.949 121 S CB -0.195 63.083 63.200 0.129 0.000 0.836 121 S HN 0.239 nan 8.310 nan 0.000 0.518 122 A N 1.917 124.780 122.820 0.072 0.000 1.930 122 A HA 0.504 4.824 4.320 -0.000 0.000 0.217 122 A C 1.530 179.146 177.584 0.053 0.000 1.175 122 A CA 1.015 53.083 52.037 0.052 0.000 0.627 122 A CB -1.357 17.662 19.000 0.032 0.000 0.815 122 A HN 1.754 nan 8.150 nan 0.000 0.443 123 G N -2.943 105.888 108.800 0.052 0.000 2.662 123 G HA2 0.161 4.121 3.960 -0.000 0.000 0.686 123 G HA3 0.161 4.121 3.960 -0.000 0.000 0.686 123 G C -0.854 174.073 174.900 0.046 0.000 1.271 123 G CA -0.410 44.719 45.100 0.049 0.000 0.816 123 G HN 1.029 nan 8.290 nan 0.000 0.608 124 V N 1.655 121.594 119.914 0.042 0.000 2.483 124 V HA 0.488 4.608 4.120 -0.000 0.000 0.297 124 V C -0.014 176.117 176.094 0.062 0.000 1.027 124 V CA -0.829 61.500 62.300 0.048 0.000 0.855 124 V CB 1.625 33.458 31.823 0.017 0.000 0.995 124 V HN 1.035 nan 8.190 nan 0.000 0.424 125 Y N 6.314 126.612 120.300 -0.005 0.000 2.632 125 Y HA 0.177 4.727 4.550 -0.000 0.000 0.329 125 Y C 0.751 176.647 175.900 -0.007 0.000 1.174 125 Y CA 0.360 58.457 58.100 -0.005 0.000 1.469 125 Y CB 0.680 39.136 38.460 -0.006 0.000 1.242 125 Y HN 0.550 nan 8.280 nan 0.000 0.540 126 M N 6.445 125.626 119.600 -0.698 0.000 2.747 126 M HA 0.238 4.718 4.480 -0.000 0.000 0.402 126 M C 0.650 176.601 176.300 -0.582 0.000 1.238 126 M CA 0.007 55.023 55.300 -0.474 0.000 0.877 126 M CB 0.151 32.609 32.600 -0.237 0.000 1.424 126 M HN 0.852 nan 8.290 nan 0.000 0.511 127 G N 1.200 109.322 108.800 -1.130 0.000 3.372 127 G HA2 0.034 3.994 3.960 -0.000 0.000 0.178 127 G HA3 0.034 3.994 3.960 -0.000 0.000 0.178 127 G C 0.205 174.997 174.900 -0.180 0.000 1.817 127 G CA -0.126 44.623 45.100 -0.585 0.000 0.996 127 G HN 0.404 nan 8.290 nan 0.000 0.559 128 N N 0.674 119.428 118.700 0.089 0.000 2.406 128 N HA 0.291 5.030 4.740 -0.000 0.000 0.269 128 N C -0.738 174.876 175.510 0.174 0.000 1.210 128 N CA 0.233 53.360 53.050 0.128 0.000 0.966 128 N CB -0.687 37.883 38.487 0.137 0.000 1.293 128 N HN 0.256 nan 8.380 nan 0.000 0.491 129 L N 0.428 121.701 121.223 0.083 0.000 2.479 129 L HA 0.464 4.804 4.340 -0.000 0.000 0.255 129 L C 0.282 177.172 176.870 0.034 0.000 1.026 129 L CA -1.192 53.695 54.840 0.078 0.000 0.842 129 L CB 1.672 43.777 42.059 0.077 0.000 1.444 129 L HN 0.347 nan 8.230 nan 0.000 0.409 130 S N -0.738 114.979 115.700 0.029 0.000 2.576 130 S HA 0.089 4.559 4.470 -0.000 0.000 0.272 130 S C 1.030 175.633 174.600 0.006 0.000 1.352 130 S CA -0.072 58.137 58.200 0.015 0.000 1.021 130 S CB 1.246 64.454 63.200 0.014 0.000 0.887 130 S HN 0.585 nan 8.310 nan 0.000 0.542 131 S N 0.659 116.360 115.700 0.002 0.000 2.374 131 S HA -0.228 4.242 4.470 -0.000 0.000 0.227 131 S C 1.960 176.559 174.600 -0.003 0.000 1.037 131 S CA 1.800 59.998 58.200 -0.003 0.000 1.024 131 S CB -0.600 62.598 63.200 -0.003 0.000 0.861 131 S HN 0.859 nan 8.310 nan 0.000 0.456 132 Q N 0.445 120.246 119.800 0.001 0.000 2.083 132 Q HA -0.124 4.215 4.340 -0.000 0.000 0.198 132 Q C 2.191 178.193 176.000 0.003 0.000 0.969 132 Q CA 1.148 56.952 55.803 0.002 0.000 0.838 132 Q CB -0.114 28.626 28.738 0.003 0.000 0.900 132 Q HN 0.598 nan 8.270 nan 0.000 0.436 133 Q N 0.234 120.038 119.800 0.008 0.000 2.061 133 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 133 Q C 2.264 178.266 176.000 0.003 0.000 0.984 133 Q CA 1.729 57.539 55.803 0.012 0.000 0.846 133 Q CB -0.181 28.573 28.738 0.027 0.000 0.902 133 Q HN 0.396 nan 8.270 nan 0.000 0.421 134 L N 0.766 121.986 121.223 -0.005 0.000 2.012 134 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 134 L C 1.935 178.794 176.870 -0.018 0.000 1.073 134 L CA 1.152 55.979 54.840 -0.021 0.000 0.748 134 L CB -0.532 41.508 42.059 -0.031 0.000 0.891 134 L HN 0.165 nan 8.230 nan 0.000 0.431 135 D N -0.245 120.148 120.400 -0.012 0.000 2.123 135 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 135 D C 2.351 178.646 176.300 -0.008 0.000 0.992 135 D CA 1.223 55.217 54.000 -0.010 0.000 0.833 135 D CB -0.191 40.605 40.800 -0.007 0.000 0.954 135 D HN 0.419 nan 8.370 nan 0.000 0.455 136 Q N 0.004 119.801 119.800 -0.005 0.000 2.046 136 Q HA -0.039 4.301 4.340 -0.000 0.000 0.200 136 Q C 2.341 178.338 176.000 -0.005 0.000 0.975 136 Q CA 0.947 56.749 55.803 -0.002 0.000 0.836 136 Q CB -0.009 28.730 28.738 0.002 0.000 0.896 136 Q HN 0.195 nan 8.270 nan 0.000 0.428 137 R N 0.345 120.841 120.500 -0.006 0.000 2.081 137 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 137 R C 2.297 178.588 176.300 -0.016 0.000 1.131 137 R CA 1.249 57.343 56.100 -0.009 0.000 0.960 137 R CB -0.119 30.174 30.300 -0.012 0.000 0.856 137 R HN 0.136 nan 8.270 nan 0.000 0.436 138 R N -0.077 120.411 120.500 -0.019 0.000 2.096 138 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 138 R C 2.254 178.544 176.300 -0.016 0.000 1.127 138 R CA 1.319 57.406 56.100 -0.021 0.000 0.968 138 R CB -0.262 30.025 30.300 -0.023 0.000 0.861 138 R HN 0.232 nan 8.270 nan 0.000 0.440 139 A N 1.053 123.866 122.820 -0.011 0.000 1.898 139 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 139 A C 2.047 179.627 177.584 -0.008 0.000 1.181 139 A CA 1.055 53.087 52.037 -0.008 0.000 0.620 139 A CB -0.425 18.572 19.000 -0.005 0.000 0.819 139 A HN 0.277 nan 8.150 nan 0.000 0.442 140 L N -0.361 120.857 121.223 -0.008 0.000 2.093 140 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 140 L C 2.180 179.044 176.870 -0.011 0.000 1.085 140 L CA 1.498 56.333 54.840 -0.008 0.000 0.755 140 L CB -0.379 41.675 42.059 -0.008 0.000 0.904 140 L HN 0.380 nan 8.230 nan 0.000 0.435 141 L N -0.410 120.805 121.223 -0.013 0.000 2.027 141 L HA -0.190 4.149 4.340 -0.000 0.000 0.206 141 L C 2.367 179.227 176.870 -0.017 0.000 1.074 141 L CA 1.287 56.117 54.840 -0.016 0.000 0.745 141 L CB -0.797 41.249 42.059 -0.021 0.000 0.898 141 L HN 0.370 nan 8.230 nan 0.000 0.433 142 N N 0.551 119.241 118.700 -0.016 0.000 2.149 142 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 142 N C 1.864 177.367 175.510 -0.012 0.000 1.019 142 N CA 1.809 54.851 53.050 -0.014 0.000 0.857 142 N CB -0.302 38.177 38.487 -0.013 0.000 0.997 142 N HN 0.486 nan 8.380 nan 0.000 0.426 143 M N -0.247 119.347 119.600 -0.010 0.000 2.557 143 M HA 0.092 4.572 4.480 -0.000 0.000 0.259 143 M C 1.230 177.523 176.300 -0.011 0.000 1.086 143 M CA 1.258 56.552 55.300 -0.009 0.000 1.096 143 M CB -0.310 32.287 32.600 -0.005 0.000 1.424 143 M HN 0.084 nan 8.290 nan 0.000 0.488 144 I N -3.268 117.294 120.570 -0.014 0.000 3.974 144 I HA 0.601 4.771 4.170 -0.000 0.000 0.334 144 I C 0.940 177.045 176.117 -0.020 0.000 1.437 144 I CA 0.120 61.410 61.300 -0.017 0.000 1.113 144 I CB 0.035 38.025 38.000 -0.016 0.000 1.063 144 I HN 0.409 nan 8.210 nan 0.000 0.400 145 G N 1.815 110.604 108.800 -0.018 0.000 2.136 145 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.242 145 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.242 145 G C 0.007 174.892 174.900 -0.025 0.000 0.989 145 G CA 0.150 45.238 45.100 -0.020 0.000 0.682 145 G HN 0.436 nan 8.290 nan 0.000 0.522 146 M N 1.335 120.920 119.600 -0.024 0.000 2.180 146 M HA 0.521 5.001 4.480 -0.000 0.000 0.350 146 M C 0.368 176.650 176.300 -0.030 0.000 1.125 146 M CA -0.166 55.116 55.300 -0.029 0.000 1.031 146 M CB 1.654 34.239 32.600 -0.025 0.000 1.623 146 M HN 0.114 nan 8.290 nan 0.000 0.451 159 G N -0.133 108.676 108.800 0.016 0.000 2.189 159 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.267 159 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.267 159 G C 0.252 175.041 174.900 -0.184 0.000 0.975 159 G CA 0.833 45.841 45.100 -0.152 0.000 0.644 159 G HN 0.457 nan 8.290 nan 0.000 0.537 160 V N 0.711 120.628 119.914 0.005 0.000 2.439 160 V HA 0.584 4.704 4.120 -0.000 0.000 0.282 160 V C 0.557 176.649 176.094 -0.003 0.000 1.039 160 V CA -0.694 61.629 62.300 0.038 0.000 0.913 160 V CB 1.886 33.775 31.823 0.110 0.000 0.983 160 V HN 0.191 nan 8.190 nan 0.000 0.460 161 V N 6.812 126.719 119.914 -0.013 0.000 2.370 161 V HA 0.675 4.795 4.120 -0.000 0.000 0.283 161 V C 0.047 176.142 176.094 0.001 0.000 1.023 161 V CA -0.537 61.751 62.300 -0.020 0.000 0.857 161 V CB 1.456 33.255 31.823 -0.039 0.000 0.985 161 V HN 1.052 nan 8.190 nan 0.000 0.443 162 R N 3.371 123.872 120.500 0.002 0.000 2.707 162 R HA 0.705 5.045 4.340 -0.000 0.000 0.272 162 R C -1.032 175.260 176.300 -0.014 0.000 1.011 162 R CA -0.770 55.342 56.100 0.019 0.000 0.893 162 R CB 1.813 32.146 30.300 0.054 0.000 1.233 162 R HN 0.181 nan 8.270 nan 0.000 0.464 163 V N 0.102 120.003 119.914 -0.022 0.000 2.341 163 V HA 0.128 4.248 4.120 -0.000 0.000 0.240 163 V C 0.006 175.980 176.094 -0.201 0.000 1.035 163 V CA 0.680 62.888 62.300 -0.153 0.000 1.033 163 V CB -0.164 31.553 31.823 -0.177 0.000 0.678 163 V HN 0.610 nan 8.190 nan 0.000 0.464 164 W N 0.932 122.240 121.300 0.014 0.000 2.316 164 W HA 0.428 5.088 4.660 -0.000 0.000 0.308 164 W C -0.391 176.150 176.519 0.038 0.000 1.106 164 W CA -0.354 57.013 57.345 0.036 0.000 1.262 164 W CB 0.612 30.101 29.460 0.048 0.000 1.233 164 W HN 0.020 nan 8.180 nan 0.000 0.447 165 D N 4.523 125.083 120.400 0.265 0.000 2.485 165 D HA 0.283 4.923 4.640 -0.000 0.000 0.229 165 D C -0.893 175.527 176.300 0.200 0.000 1.101 165 D CA -0.124 53.984 54.000 0.181 0.000 0.906 165 D CB 0.460 41.326 40.800 0.110 0.000 1.019 165 D HN 0.164 nan 8.370 nan 0.000 0.516 166 V N 1.076 121.105 119.914 0.191 0.000 3.001 166 V HA 0.518 4.638 4.120 -0.000 0.000 0.314 166 V C 1.255 177.417 176.094 0.112 0.000 1.099 166 V CA -0.945 61.448 62.300 0.155 0.000 0.989 166 V CB 2.137 34.044 31.823 0.140 0.000 1.040 166 V HN 0.260 nan 8.190 nan 0.000 0.434 167 K N 1.291 121.747 120.400 0.094 0.000 2.243 167 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 167 K C 0.414 177.061 176.600 0.079 0.000 1.051 167 K CA 1.323 57.661 56.287 0.086 0.000 0.970 167 K CB 0.115 32.661 32.500 0.077 0.000 0.755 167 K HN 0.784 nan 8.250 nan 0.000 0.465 168 N N 0.198 118.935 118.700 0.061 0.000 2.609 168 N HA 0.232 4.971 4.740 -0.000 0.000 0.268 168 N C -0.236 175.292 175.510 0.029 0.000 1.106 168 N CA -0.101 52.979 53.050 0.050 0.000 0.823 168 N CB 1.691 40.201 38.487 0.039 0.000 1.263 168 N HN 0.166 nan 8.380 nan 0.000 0.533 169 A N 2.365 125.208 122.820 0.037 0.000 2.070 169 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 169 A C 1.763 179.344 177.584 -0.005 0.000 1.159 169 A CA 1.532 53.578 52.037 0.015 0.000 0.656 169 A CB -0.439 18.584 19.000 0.039 0.000 0.800 169 A HN 0.807 nan 8.150 nan 0.000 0.453 170 E N 0.203 120.409 120.200 0.010 0.000 2.160 170 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 170 E C 1.474 178.059 176.600 -0.025 0.000 0.991 170 E CA 1.022 57.423 56.400 0.002 0.000 0.810 170 E CB -0.291 29.416 29.700 0.011 0.000 0.742 170 E HN 0.663 nan 8.360 nan 0.000 0.466 171 L N 0.696 121.896 121.223 -0.038 0.000 2.633 171 L HA -0.094 4.245 4.340 -0.000 0.000 0.235 171 L C 1.894 178.698 176.870 -0.110 0.000 1.163 171 L CA 0.216 55.015 54.840 -0.067 0.000 0.859 171 L CB -0.159 41.863 42.059 -0.063 0.000 0.973 171 L HN 0.279 nan 8.230 nan 0.000 0.451 172 L N -1.092 120.072 121.223 -0.099 0.000 2.446 172 L HA 0.034 4.374 4.340 -0.000 0.000 0.219 172 L C 0.575 177.479 176.870 0.057 0.000 1.116 172 L CA -0.136 54.663 54.840 -0.068 0.000 0.844 172 L CB -0.225 41.738 42.059 -0.160 0.000 0.970 172 L HN 0.258 nan 8.230 nan 0.000 0.457 173 N N 2.046 120.749 118.700 0.004 0.000 2.411 173 N HA -0.060 4.680 4.740 -0.000 0.000 0.261 173 N C 0.290 175.807 175.510 0.012 0.000 1.248 173 N CA 0.470 53.530 53.050 0.016 0.000 0.885 173 N CB 0.072 38.546 38.487 -0.021 0.000 1.062 173 N HN 0.127 nan 8.380 nan 0.000 0.471 174 N N 0.693 119.426 118.700 0.055 0.000 2.800 174 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 174 N C -0.163 175.337 175.510 -0.017 0.000 1.078 174 N CA 0.517 53.589 53.050 0.036 0.000 0.804 174 N CB -0.535 37.952 38.487 0.001 0.000 1.135 174 N HN 0.618 nan 8.380 nan 0.000 0.565 175 Q N -0.996 118.763 119.800 -0.069 0.000 2.319 175 Q HA 0.251 4.590 4.340 -0.000 0.000 0.202 175 Q C 0.776 176.417 176.000 -0.598 0.000 0.896 175 Q CA 0.404 55.968 55.803 -0.400 0.000 0.942 175 Q CB 0.049 28.381 28.738 -0.678 0.000 1.083 175 Q HN 0.540 nan 8.270 nan 0.000 0.510 176 F N -0.614 119.331 119.950 -0.008 0.000 2.735 176 F HA 0.357 4.884 4.527 -0.000 0.000 0.308 176 F C 1.270 177.061 175.800 -0.015 0.000 1.112 176 F CA -0.752 57.255 58.000 0.012 0.000 1.235 176 F CB 0.592 39.612 39.000 0.034 0.000 1.027 176 F HN -0.148 nan 8.300 nan 0.000 0.528 177 G N 1.048 109.898 108.800 0.084 0.000 2.483 177 G HA2 0.384 4.344 3.960 -0.000 0.000 0.248 177 G HA3 0.384 4.344 3.960 -0.000 0.000 0.248 177 G C 0.118 175.012 174.900 -0.010 0.000 1.248 177 G CA -0.220 44.906 45.100 0.044 0.000 0.838 177 G HN 0.132 nan 8.290 nan 0.000 0.566 178 T N -0.734 113.823 114.554 0.004 0.000 2.922 178 T HA 0.689 5.039 4.350 -0.000 0.000 0.285 178 T C 0.026 174.715 174.700 -0.017 0.000 1.005 178 T CA -0.613 61.467 62.100 -0.034 0.000 1.061 178 T CB 1.470 70.339 68.868 0.001 0.000 1.007 178 T HN 0.361 nan 8.240 nan 0.000 0.502 179 M N 2.517 122.087 119.600 -0.050 0.000 2.326 179 M HA 0.318 4.798 4.480 -0.000 0.000 0.292 179 M C -2.101 174.185 176.300 -0.024 0.000 1.081 179 M CA -2.256 53.028 55.300 -0.027 0.000 0.919 179 M CB 2.969 35.536 32.600 -0.056 0.000 1.634 179 M HN 0.332 nan 8.290 nan 0.000 0.451 180 P HA -0.156 nan 4.420 nan 0.000 0.215 180 P C 1.272 178.569 177.300 -0.006 0.000 1.153 180 P CA 1.599 64.698 63.100 -0.001 0.000 0.853 180 P CB -0.010 31.689 31.700 -0.001 0.000 0.788 181 S N -0.661 115.027 115.700 -0.021 0.000 2.382 181 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 181 S C 1.913 176.528 174.600 0.025 0.000 1.027 181 S CA 1.145 59.341 58.200 -0.007 0.000 0.991 181 S CB -1.601 61.584 63.200 -0.026 0.000 0.823 181 S HN 0.036 nan 8.310 nan 0.000 0.469 182 L N 2.128 123.352 121.223 0.003 0.000 2.072 182 L HA 0.051 4.391 4.340 -0.000 0.000 0.205 182 L C 2.419 179.319 176.870 0.049 0.000 1.079 182 L CA 2.186 57.035 54.840 0.016 0.000 0.752 182 L CB -1.511 40.488 42.059 -0.101 0.000 0.906 182 L HN 0.288 nan 8.230 nan 0.000 0.436 183 T N 0.359 114.923 114.554 0.016 0.000 2.635 183 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 183 T C 1.800 176.579 174.700 0.132 0.000 1.040 183 T CA 2.066 64.208 62.100 0.070 0.000 1.156 183 T CB -0.537 68.362 68.868 0.051 0.000 0.863 183 T HN 0.346 nan 8.240 nan 0.000 0.430 184 L N 1.439 122.712 121.223 0.082 0.000 2.017 184 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 184 L C 2.609 179.526 176.870 0.079 0.000 1.073 184 L CA 2.063 56.944 54.840 0.067 0.000 0.745 184 L CB -1.237 40.843 42.059 0.035 0.000 0.894 184 L HN 0.226 nan 8.230 nan 0.000 0.432 185 A N -1.138 121.745 122.820 0.106 0.000 1.883 185 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 185 A C 2.387 180.025 177.584 0.090 0.000 1.186 185 A CA 2.007 54.118 52.037 0.125 0.000 0.624 185 A CB -1.523 17.639 19.000 0.270 0.000 0.822 185 A HN 0.651 nan 8.150 nan 0.000 0.444 186 C N -0.913 118.538 119.300 0.251 0.000 2.440 186 C HA 0.006 4.466 4.460 -0.000 0.000 0.278 186 C C 2.624 177.797 174.990 0.306 0.000 1.295 186 C CA 0.818 60.029 59.018 0.322 0.000 1.738 186 C CB -1.562 26.407 27.740 0.382 0.000 1.987 186 C HN 0.622 nan 8.230 nan 0.000 0.492 187 L N 0.513 121.909 121.223 0.289 0.000 2.012 187 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 187 L C 2.736 179.586 176.870 -0.034 0.000 1.073 187 L CA 1.878 56.761 54.840 0.072 0.000 0.748 187 L CB -1.015 41.069 42.059 0.042 0.000 0.891 187 L HN 0.375 nan 8.230 nan 0.000 0.431 188 T N -0.877 113.654 114.554 -0.039 0.000 2.674 188 T HA -0.232 4.118 4.350 -0.000 0.000 0.265 188 T C 1.914 176.526 174.700 -0.147 0.000 1.039 188 T CA 1.691 63.741 62.100 -0.083 0.000 1.150 188 T CB -0.112 68.713 68.868 -0.071 0.000 0.864 188 T HN 0.090 nan 8.240 nan 0.000 0.427 189 K N 1.086 121.323 120.400 -0.273 0.000 2.025 189 K HA 0.017 4.337 4.320 -0.000 0.000 0.207 189 K C 2.342 178.813 176.600 -0.215 0.000 1.049 189 K CA 1.398 57.450 56.287 -0.392 0.000 0.933 189 K CB -0.161 31.712 32.500 -1.044 0.000 0.714 189 K HN 0.338 nan 8.250 nan 0.000 0.438 190 Q N -1.296 118.431 119.800 -0.121 0.000 2.269 190 Q HA 0.082 4.422 4.340 -0.000 0.000 0.201 190 Q C 1.795 177.764 176.000 -0.051 0.000 0.946 190 Q CA 1.054 56.855 55.803 -0.003 0.000 0.877 190 Q CB 0.265 29.113 28.738 0.184 0.000 0.963 190 Q HN 0.482 nan 8.270 nan 0.000 0.472 191 G N 0.137 108.875 108.800 -0.103 0.000 2.880 191 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.209 191 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.209 191 G C 0.022 174.871 174.900 -0.086 0.000 1.157 191 G CA -0.255 44.770 45.100 -0.126 0.000 0.779 191 G HN 0.293 nan 8.290 nan 0.000 0.539 192 Q N -0.986 118.766 119.800 -0.080 0.000 2.454 192 Q HA -0.148 4.192 4.340 -0.000 0.000 0.341 192 Q C -0.329 175.638 176.000 -0.054 0.000 1.437 192 Q CA 0.433 56.197 55.803 -0.064 0.000 0.935 192 Q CB -1.991 26.718 28.738 -0.048 0.000 1.164 192 Q HN 0.698 nan 8.270 nan 0.000 0.373 193 V N -3.957 115.924 119.914 -0.056 0.000 3.181 193 V HA 0.602 4.722 4.120 -0.000 0.000 0.308 193 V C -0.249 175.823 176.094 -0.038 0.000 1.214 193 V CA -1.297 60.979 62.300 -0.040 0.000 1.053 193 V CB 2.210 34.012 31.823 -0.035 0.000 1.069 193 V HN 0.129 nan 8.190 nan 0.000 0.441 194 D N 1.156 121.542 120.400 -0.024 0.000 2.399 194 D HA 0.169 4.809 4.640 -0.000 0.000 0.241 194 D C 0.979 177.270 176.300 -0.015 0.000 1.133 194 D CA -0.005 53.984 54.000 -0.018 0.000 0.890 194 D CB 1.531 42.325 40.800 -0.009 0.000 1.201 194 D HN 0.668 nan 8.370 nan 0.000 0.432 195 L N 3.026 124.241 121.223 -0.013 0.000 1.990 195 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 195 L C 1.705 178.575 176.870 -0.001 0.000 1.072 195 L CA 1.946 56.781 54.840 -0.008 0.000 0.755 195 L CB -0.966 41.092 42.059 -0.002 0.000 0.889 195 L HN 0.398 nan 8.230 nan 0.000 0.432 196 N N -0.325 118.376 118.700 0.002 0.000 2.137 196 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 196 N C 1.522 177.041 175.510 0.016 0.000 1.017 196 N CA 1.734 54.788 53.050 0.008 0.000 0.859 196 N CB -0.313 38.179 38.487 0.008 0.000 1.002 196 N HN 0.489 nan 8.380 nan 0.000 0.428 197 D N -0.319 120.090 120.400 0.016 0.000 2.097 197 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 197 D C 1.784 178.105 176.300 0.035 0.000 0.984 197 D CA 1.455 55.474 54.000 0.033 0.000 0.826 197 D CB -0.570 40.239 40.800 0.016 0.000 0.973 197 D HN 0.389 nan 8.370 nan 0.000 0.460 198 A N 0.788 123.613 122.820 0.008 0.000 1.898 198 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 198 A C 2.406 179.982 177.584 -0.012 0.000 1.181 198 A CA 1.629 53.663 52.037 -0.004 0.000 0.620 198 A CB -0.934 18.061 19.000 -0.010 0.000 0.819 198 A HN 0.195 nan 8.150 nan 0.000 0.442 199 V N -0.383 119.528 119.914 -0.006 0.000 2.469 199 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 199 V C 2.138 178.218 176.094 -0.023 0.000 1.064 199 V CA 2.684 64.977 62.300 -0.012 0.000 1.066 199 V CB -0.632 31.188 31.823 -0.005 0.000 0.667 199 V HN 0.582 nan 8.190 nan 0.000 0.461 200 Q N 0.419 120.214 119.800 -0.008 0.000 2.137 200 Q HA 0.128 4.468 4.340 -0.000 0.000 0.198 200 Q C 2.436 178.348 176.000 -0.146 0.000 0.960 200 Q CA 1.795 57.591 55.803 -0.011 0.000 0.847 200 Q CB -0.812 27.973 28.738 0.079 0.000 0.915 200 Q HN 0.764 nan 8.270 nan 0.000 0.448 201 A N 0.868 123.570 122.820 -0.197 0.000 1.902 201 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 201 A C 2.221 179.621 177.584 -0.306 0.000 1.181 201 A CA 1.033 52.764 52.037 -0.510 0.000 0.623 201 A CB -0.660 18.218 19.000 -0.203 0.000 0.818 201 A HN 0.303 nan 8.150 nan 0.000 0.443 202 L N -0.785 120.347 121.223 -0.152 0.000 2.109 202 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 202 L C 2.776 179.591 176.870 -0.091 0.000 1.086 202 L CA 1.536 56.316 54.840 -0.101 0.000 0.760 202 L CB -0.869 41.159 42.059 -0.052 0.000 0.910 202 L HN 0.348 nan 8.230 nan 0.000 0.437 203 T N -0.647 113.857 114.554 -0.084 0.000 2.607 203 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 203 T C 1.437 176.090 174.700 -0.078 0.000 1.049 203 T CA 1.830 63.895 62.100 -0.060 0.000 1.162 203 T CB -0.354 68.490 68.868 -0.040 0.000 0.863 203 T HN 0.291 nan 8.240 nan 0.000 0.424 204 D N 0.688 121.000 120.400 -0.146 0.000 2.158 204 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 204 D C 1.908 178.141 176.300 -0.112 0.000 0.995 204 D CA 0.556 54.470 54.000 -0.145 0.000 0.846 204 D CB -0.420 40.222 40.800 -0.263 0.000 0.941 204 D HN 0.172 nan 8.370 nan 0.000 0.456 205 L N 0.227 121.370 121.223 -0.133 0.000 2.072 205 L HA 0.133 4.473 4.340 -0.000 0.000 0.205 205 L C 2.166 179.004 176.870 -0.054 0.000 1.079 205 L CA 1.831 56.609 54.840 -0.102 0.000 0.752 205 L CB -0.917 41.068 42.059 -0.123 0.000 0.906 205 L HN 0.054 nan 8.230 nan 0.000 0.436 206 G N -0.080 108.705 108.800 -0.024 0.000 2.440 206 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.218 206 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.218 206 G C 1.579 176.522 174.900 0.072 0.000 1.154 206 G CA 1.197 46.331 45.100 0.056 0.000 0.767 206 G HN 0.452 nan 8.290 nan 0.000 0.552 207 L N 0.537 121.775 121.223 0.025 0.000 2.043 207 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 207 L C 2.780 179.666 176.870 0.027 0.000 1.075 207 L CA 0.704 55.557 54.840 0.021 0.000 0.752 207 L CB -0.599 41.464 42.059 0.006 0.000 0.891 207 L HN 0.115 nan 8.230 nan 0.000 0.432 208 I N -0.879 119.699 120.570 0.014 0.000 2.208 208 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 208 I C 2.476 178.615 176.117 0.035 0.000 1.097 208 I CA 1.640 62.941 61.300 0.002 0.000 1.363 208 I CB -1.422 36.558 38.000 -0.033 0.000 1.051 208 I HN 0.261 nan 8.210 nan 0.000 0.413 209 Y N 2.536 122.780 120.300 -0.093 0.000 2.509 209 Y HA -0.155 4.395 4.550 -0.000 0.000 0.293 209 Y C 2.585 178.544 175.900 0.098 0.000 1.133 209 Y CA 1.304 59.359 58.100 -0.074 0.000 1.283 209 Y CB -0.659 37.744 38.460 -0.096 0.000 1.001 209 Y HN 0.353 nan 8.280 nan 0.000 0.555 210 T N -3.029 111.563 114.554 0.062 0.000 3.113 210 T HA 0.152 4.502 4.350 -0.000 0.000 0.263 210 T C 1.479 176.253 174.700 0.124 0.000 1.143 210 T CA 0.843 62.962 62.100 0.032 0.000 1.090 210 T CB -0.222 68.659 68.868 0.021 0.000 0.922 210 T HN 0.304 nan 8.240 nan 0.000 0.521 211 A N 0.811 123.698 122.820 0.111 0.000 2.263 211 A HA 0.484 4.804 4.320 -0.000 0.000 0.200 211 A C 0.541 178.072 177.584 -0.088 0.000 1.428 211 A CA -0.086 52.004 52.037 0.089 0.000 1.050 211 A CB 0.715 19.732 19.000 0.029 0.000 1.226 211 A HN 0.640 nan 8.150 nan 0.000 0.501 212 K N -1.912 118.233 120.400 -0.425 0.000 2.615 212 K HA 0.375 4.695 4.320 -0.000 0.000 0.291 212 K C -1.691 174.441 176.600 -0.780 0.000 1.017 212 K CA -0.745 55.020 56.287 -0.870 0.000 0.882 212 K CB 0.776 33.074 32.500 -0.336 0.000 1.522 212 K HN -0.021 nan 8.250 nan 0.000 0.412 213 Y N 2.271 122.130 120.300 -0.735 0.000 2.486 213 Y HA 0.255 4.805 4.550 -0.000 0.000 0.348 213 Y C -2.173 173.662 175.900 -0.108 0.000 1.000 213 Y CA -1.410 56.590 58.100 -0.166 0.000 1.253 213 Y CB 0.834 39.284 38.460 -0.016 0.000 1.140 213 Y HN 0.423 nan 8.280 nan 0.000 0.526 214 P HA 0.009 nan 4.420 nan 0.000 0.265 214 P C -1.163 176.148 177.300 0.019 0.000 1.193 214 P CA 0.162 63.168 63.100 -0.157 0.000 0.765 214 P CB 0.556 32.108 31.700 -0.247 0.000 0.823 215 N N -0.418 118.301 118.700 0.032 0.000 2.741 215 N HA 0.236 4.976 4.740 -0.000 0.000 0.310 215 N C 1.041 176.569 175.510 0.030 0.000 1.295 215 N CA -0.500 52.588 53.050 0.063 0.000 0.893 215 N CB -0.848 37.672 38.487 0.054 0.000 1.247 215 N HN 0.324 nan 8.380 nan 0.000 0.596 216 T N -2.426 112.148 114.554 0.033 0.000 2.624 216 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 216 T C 1.874 176.581 174.700 0.011 0.000 1.041 216 T CA 2.644 64.757 62.100 0.021 0.000 1.159 216 T CB -1.275 67.605 68.868 0.020 0.000 0.863 216 T HN 0.684 nan 8.240 nan 0.000 0.434 217 S N 2.545 118.251 115.700 0.010 0.000 2.359 217 S HA -0.275 4.195 4.470 -0.000 0.000 0.223 217 S C 1.823 176.424 174.600 0.002 0.000 1.039 217 S CA 1.855 60.059 58.200 0.005 0.000 1.042 217 S CB -1.136 62.067 63.200 0.004 0.000 0.915 217 S HN 0.572 nan 8.310 nan 0.000 0.439 218 D N 1.495 121.894 120.400 -0.002 0.000 2.116 218 D HA -0.092 4.548 4.640 -0.000 0.000 0.193 218 D C 1.978 178.272 176.300 -0.009 0.000 0.998 218 D CA 1.285 55.279 54.000 -0.010 0.000 0.836 218 D CB -0.694 40.091 40.800 -0.025 0.000 0.951 218 D HN 0.403 nan 8.370 nan 0.000 0.449 219 L N 1.085 122.302 121.223 -0.010 0.000 2.012 219 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 219 L C 1.614 178.485 176.870 0.002 0.000 1.073 219 L CA 1.764 56.599 54.840 -0.008 0.000 0.748 219 L CB -0.306 41.750 42.059 -0.005 0.000 0.891 219 L HN -0.146 nan 8.230 nan 0.000 0.431 220 D N -0.730 119.672 120.400 0.004 0.000 2.116 220 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 220 D C 2.272 178.577 176.300 0.008 0.000 0.998 220 D CA 1.099 55.102 54.000 0.005 0.000 0.836 220 D CB -0.209 40.594 40.800 0.004 0.000 0.951 220 D HN 0.212 nan 8.370 nan 0.000 0.449 221 R N 0.067 120.573 120.500 0.009 0.000 2.115 221 R HA 0.048 4.388 4.340 -0.000 0.000 0.230 221 R C 2.463 178.781 176.300 0.029 0.000 1.111 221 R CA 0.218 56.326 56.100 0.013 0.000 0.976 221 R CB -0.783 29.523 30.300 0.010 0.000 0.870 221 R HN 0.320 nan 8.270 nan 0.000 0.445 222 L N 0.304 121.549 121.223 0.037 0.000 2.217 222 L HA -0.079 4.260 4.340 -0.000 0.000 0.211 222 L C 1.799 178.738 176.870 0.116 0.000 1.107 222 L CA 1.071 55.961 54.840 0.082 0.000 0.783 222 L CB -0.277 41.806 42.059 0.040 0.000 0.919 222 L HN 0.161 nan 8.230 nan 0.000 0.442 223 T N -1.157 113.432 114.554 0.058 0.000 2.951 223 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 223 T C 1.838 176.553 174.700 0.025 0.000 1.073 223 T CA 0.632 62.760 62.100 0.046 0.000 1.134 223 T CB 0.030 68.907 68.868 0.015 0.000 0.884 223 T HN 0.314 nan 8.240 nan 0.000 0.479 224 Q N 1.479 121.287 119.800 0.013 0.000 2.029 224 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 224 Q C 2.681 178.655 176.000 -0.042 0.000 0.999 224 Q CA 2.079 57.876 55.803 -0.011 0.000 0.857 224 Q CB -0.630 28.103 28.738 -0.009 0.000 0.926 224 Q HN 0.684 nan 8.270 nan 0.000 0.415 225 S N -0.848 114.815 115.700 -0.061 0.000 2.528 225 S HA -0.009 4.461 4.470 -0.000 0.000 0.219 225 S C 0.600 174.944 174.600 -0.426 0.000 0.985 225 S CA 0.010 58.080 58.200 -0.216 0.000 0.914 225 S CB 0.121 63.177 63.200 -0.241 0.000 0.776 225 S HN 0.296 nan 8.310 nan 0.000 0.526 226 H N 1.023 120.079 119.070 -0.023 0.000 2.488 226 H HA 0.301 4.857 4.556 -0.000 0.000 0.237 226 H C -2.597 172.710 175.328 -0.035 0.000 1.395 226 H CA -1.447 54.584 56.048 -0.028 0.000 1.491 226 H CB 1.444 31.191 29.762 -0.027 0.000 1.567 226 H HN 0.206 nan 8.280 nan 0.000 0.508 227 P HA -0.116 nan 4.420 nan 0.000 0.222 227 P C 1.715 179.009 177.300 -0.010 0.000 1.147 227 P CA 0.392 63.492 63.100 0.001 0.000 0.790 227 P CB 0.371 32.058 31.700 -0.021 0.000 0.780 228 I N -0.857 119.714 120.570 0.000 0.000 2.454 228 I HA -0.175 3.995 4.170 -0.000 0.000 0.254 228 I C 1.624 177.702 176.117 -0.064 0.000 1.156 228 I CA 1.425 62.701 61.300 -0.040 0.000 1.433 228 I CB -0.762 37.222 38.000 -0.027 0.000 1.082 228 I HN -0.131 nan 8.210 nan 0.000 0.432 229 L N 0.151 121.358 121.223 -0.026 0.000 2.552 229 L HA -0.040 4.300 4.340 -0.000 0.000 0.227 229 L C 1.954 178.796 176.870 -0.046 0.000 1.146 229 L CA 0.223 55.041 54.840 -0.037 0.000 0.858 229 L CB -0.851 41.201 42.059 -0.012 0.000 0.969 229 L HN 0.252 nan 8.230 nan 0.000 0.451 230 N N 0.507 119.178 118.700 -0.048 0.000 2.348 230 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 230 N C 1.718 177.179 175.510 -0.082 0.000 1.019 230 N CA 1.168 54.187 53.050 -0.052 0.000 0.880 230 N CB 0.030 38.489 38.487 -0.047 0.000 0.965 230 N HN 0.387 nan 8.380 nan 0.000 0.437 231 M N -0.033 119.476 119.600 -0.152 0.000 2.460 231 M HA -0.003 4.477 4.480 -0.000 0.000 0.263 231 M C 0.413 176.622 176.300 -0.152 0.000 1.071 231 M CA 0.617 55.759 55.300 -0.263 0.000 1.096 231 M CB -0.048 32.220 32.600 -0.554 0.000 1.408 231 M HN -0.040 nan 8.290 nan 0.000 0.463 232 I N 1.346 121.877 120.570 -0.064 0.000 2.352 232 I HA 0.031 4.201 4.170 -0.000 0.000 0.290 232 I C 0.453 176.602 176.117 0.054 0.000 1.036 232 I CA -0.331 60.991 61.300 0.037 0.000 1.336 232 I CB 0.510 38.529 38.000 0.031 0.000 1.407 232 I HN -0.029 nan 8.210 nan 0.000 0.497 233 D N 5.148 125.607 120.400 0.099 0.000 2.348 233 D HA 0.020 4.660 4.640 -0.000 0.000 0.253 233 D C 1.054 177.394 176.300 0.066 0.000 1.161 233 D CA 0.076 54.122 54.000 0.077 0.000 0.876 233 D CB 1.388 42.242 40.800 0.091 0.000 1.160 233 D HN 0.675 nan 8.370 nan 0.000 0.459 234 T N 0.558 115.141 114.554 0.049 0.000 3.040 234 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 234 T C 1.055 175.784 174.700 0.047 0.000 1.064 234 T CA 0.145 62.275 62.100 0.049 0.000 1.110 234 T CB 0.257 69.147 68.868 0.037 0.000 0.921 234 T HN 0.453 nan 8.240 nan 0.000 0.480 238 S N 0.362 116.072 115.700 0.016 0.000 2.786 238 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 238 S C 0.333 174.939 174.600 0.010 0.000 0.956 238 S CA -0.403 57.811 58.200 0.024 0.000 0.961 238 S CB -1.105 62.112 63.200 0.027 0.000 0.784 238 S HN 0.606 nan 8.310 nan 0.000 0.519 239 L N 1.347 122.570 121.223 -0.001 0.000 2.331 239 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 239 L C 0.653 177.511 176.870 -0.020 0.000 1.022 239 L CA -0.873 53.954 54.840 -0.020 0.000 0.812 239 L CB 0.526 42.571 42.059 -0.024 0.000 1.257 239 L HN 0.178 nan 8.230 nan 0.000 0.435 240 N N 1.804 120.471 118.700 -0.054 0.000 2.721 240 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 240 N C -0.900 174.615 175.510 0.009 0.000 1.072 240 N CA 1.123 54.141 53.050 -0.054 0.000 0.710 240 N CB -0.784 37.679 38.487 -0.040 0.000 0.993 240 N HN 0.647 nan 8.380 nan 0.000 0.547 241 I N -4.486 116.110 120.570 0.043 0.000 3.457 241 I HA 0.778 4.948 4.170 -0.000 0.000 0.307 241 I C 0.148 176.435 176.117 0.283 0.000 1.138 241 I CA -0.684 60.698 61.300 0.136 0.000 0.974 241 I CB 2.082 40.136 38.000 0.092 0.000 1.324 241 I HN 0.150 nan 8.210 nan 0.000 0.485 242 S N -0.317 115.548 115.700 0.275 0.000 2.671 242 S HA 0.549 5.019 4.470 -0.000 0.000 0.299 242 S C 0.767 175.409 174.600 0.069 0.000 1.116 242 S CA -0.167 58.215 58.200 0.304 0.000 0.912 242 S CB 1.154 64.595 63.200 0.402 0.000 1.130 242 S HN 1.075 nan 8.310 nan 0.000 0.501 243 G N -0.321 108.425 108.800 -0.089 0.000 2.501 243 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.220 243 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.220 243 G C 0.475 175.053 174.900 -0.537 0.000 1.114 243 G CA 0.677 45.571 45.100 -0.343 0.000 0.757 243 G HN 0.759 nan 8.290 nan 0.000 0.559 244 Y N 0.067 120.310 120.300 -0.095 0.000 2.466 244 Y HA 0.226 4.776 4.550 -0.000 0.000 0.272 244 Y C 0.981 176.657 175.900 -0.373 0.000 1.169 244 Y CA -0.635 57.353 58.100 -0.187 0.000 1.285 244 Y CB -0.125 38.273 38.460 -0.102 0.000 1.078 244 Y HN 0.103 nan 8.280 nan 0.000 0.523 245 N N -0.381 118.202 118.700 -0.194 0.000 2.509 245 N HA 0.237 4.977 4.740 -0.000 0.000 0.287 245 N C -1.259 174.064 175.510 -0.311 0.000 1.121 245 N CA -0.585 52.331 53.050 -0.222 0.000 0.977 245 N CB 0.526 39.005 38.487 -0.013 0.000 1.167 245 N HN -0.111 nan 8.380 nan 0.000 0.476 246 F N 1.068 121.059 119.950 0.068 0.000 2.606 246 F HA 0.204 4.731 4.527 0.000 0.000 0.347 246 F C 0.953 176.775 175.800 0.037 0.000 1.207 246 F CA -0.728 57.300 58.000 0.046 0.000 1.306 246 F CB -0.706 38.319 39.000 0.041 0.000 1.657 246 F HN 0.315 nan 8.300 nan 0.000 0.606 247 S N 0.129 115.912 115.700 0.140 0.000 2.669 247 S HA 0.285 4.755 4.470 -0.000 0.000 0.270 247 S C 1.025 175.684 174.600 0.099 0.000 1.225 247 S CA -0.766 57.499 58.200 0.108 0.000 0.991 247 S CB 1.343 64.588 63.200 0.075 0.000 0.987 247 S HN 0.386 nan 8.310 nan 0.000 0.552 248 L N 1.998 123.273 121.223 0.088 0.000 2.072 248 L HA 0.231 4.571 4.340 -0.000 0.000 0.205 248 L C 2.391 179.297 176.870 0.060 0.000 1.079 248 L CA 2.348 57.231 54.840 0.071 0.000 0.752 248 L CB -1.710 40.409 42.059 0.100 0.000 0.906 248 L HN 0.998 nan 8.230 nan 0.000 0.436 249 G N -0.684 108.182 108.800 0.111 0.000 2.476 249 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 249 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 249 G C 1.587 176.513 174.900 0.043 0.000 1.164 249 G CA 0.981 46.147 45.100 0.109 0.000 0.768 249 G HN 0.626 nan 8.290 nan 0.000 0.560 250 A N 0.760 123.609 122.820 0.047 0.000 2.015 250 A HA 0.361 4.681 4.320 -0.000 0.000 0.219 250 A C 2.736 180.331 177.584 0.019 0.000 1.163 250 A CA 2.075 54.132 52.037 0.034 0.000 0.646 250 A CB -0.513 18.503 19.000 0.026 0.000 0.806 250 A HN 0.759 nan 8.150 nan 0.000 0.448 251 A N -0.662 122.166 122.820 0.014 0.000 1.898 251 A HA 0.103 4.422 4.320 -0.000 0.000 0.214 251 A C 2.157 179.690 177.584 -0.085 0.000 1.183 251 A CA 1.513 53.545 52.037 -0.009 0.000 0.622 251 A CB -0.706 18.297 19.000 0.004 0.000 0.824 251 A HN 0.336 nan 8.150 nan 0.000 0.444 252 V N 0.414 120.227 119.914 -0.168 0.000 2.427 252 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 252 V C 2.492 178.422 176.094 -0.273 0.000 1.051 252 V CA 2.207 64.299 62.300 -0.347 0.000 1.048 252 V CB -0.627 30.782 31.823 -0.690 0.000 0.666 252 V HN 0.665 nan 8.190 nan 0.000 0.456 253 K N 0.596 120.912 120.400 -0.141 0.000 2.063 253 K HA -0.194 4.125 4.320 -0.000 0.000 0.208 253 K C 2.161 178.765 176.600 0.007 0.000 1.048 253 K CA 1.668 57.943 56.287 -0.019 0.000 0.928 253 K CB -0.311 32.222 32.500 0.056 0.000 0.713 253 K HN 0.427 nan 8.250 nan 0.000 0.442 254 A N 0.487 123.304 122.820 -0.006 0.000 1.969 254 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 254 A C 2.270 179.852 177.584 -0.002 0.000 1.169 254 A CA 1.758 53.797 52.037 0.003 0.000 0.635 254 A CB -0.842 18.162 19.000 0.007 0.000 0.810 254 A HN 0.557 nan 8.150 nan 0.000 0.445 255 G N -0.799 107.989 108.800 -0.019 0.000 2.430 255 G HA2 0.140 4.100 3.960 -0.000 0.000 0.216 255 G HA3 0.140 4.100 3.960 -0.000 0.000 0.216 255 G C 1.644 176.562 174.900 0.030 0.000 1.146 255 G CA 0.999 46.091 45.100 -0.014 0.000 0.793 255 G HN 0.737 nan 8.290 nan 0.000 0.537 256 A N -0.030 122.834 122.820 0.073 0.000 2.076 256 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 256 A C 2.339 179.963 177.584 0.067 0.000 1.160 256 A CA 1.642 53.757 52.037 0.129 0.000 0.653 256 A CB -0.781 18.355 19.000 0.227 0.000 0.801 256 A HN 0.416 nan 8.150 nan 0.000 0.455 257 C N -0.964 118.361 119.300 0.042 0.000 2.514 257 C HA 0.112 4.572 4.460 -0.000 0.000 0.271 257 C C 2.179 177.177 174.990 0.014 0.000 1.399 257 C CA 0.323 59.356 59.018 0.025 0.000 1.765 257 C CB -0.899 26.848 27.740 0.010 0.000 1.893 257 C HN 0.540 nan 8.230 nan 0.000 0.531 258 M N 0.509 120.116 119.600 0.012 0.000 2.618 258 M HA 0.245 4.725 4.480 -0.000 0.000 0.240 258 M C 0.213 176.518 176.300 0.008 0.000 1.123 258 M CA 0.620 55.922 55.300 0.003 0.000 1.060 258 M CB -0.980 31.616 32.600 -0.007 0.000 1.535 258 M HN 0.272 nan 8.290 nan 0.000 0.507 259 L N 0.297 121.530 121.223 0.016 0.000 2.282 259 L HA 0.278 4.618 4.340 -0.000 0.000 0.288 259 L C -0.167 176.712 176.870 0.016 0.000 1.033 259 L CA -0.814 54.036 54.840 0.017 0.000 0.807 259 L CB 1.078 43.151 42.059 0.023 0.000 1.209 259 L HN -0.121 nan 8.230 nan 0.000 0.423 260 D N 3.693 124.100 120.400 0.013 0.000 2.357 260 D HA 0.343 4.983 4.640 -0.000 0.000 0.265 260 D C 0.798 177.105 176.300 0.011 0.000 1.334 260 D CA 1.129 55.136 54.000 0.012 0.000 0.984 260 D CB 0.372 41.178 40.800 0.010 0.000 1.077 260 D HN 0.773 nan 8.370 nan 0.000 0.514 261 G N 1.816 110.624 108.800 0.013 0.000 2.642 261 G HA2 0.135 4.095 3.960 -0.000 0.000 0.231 261 G HA3 0.135 4.095 3.960 -0.000 0.000 0.231 261 G C 0.804 175.708 174.900 0.007 0.000 1.338 261 G CA -0.040 45.066 45.100 0.009 0.000 0.883 261 G HN 1.291 nan 8.290 nan 0.000 0.570 262 G N -1.662 107.138 108.800 -0.001 0.000 2.201 262 G HA2 0.046 4.006 3.960 -0.000 0.000 0.212 262 G HA3 0.046 4.006 3.960 -0.000 0.000 0.212 262 G C 0.658 175.543 174.900 -0.025 0.000 0.994 262 G CA 0.986 46.080 45.100 -0.010 0.000 0.644 262 G HN 2.436 nan 8.290 nan 0.000 0.508 263 N N -0.826 117.864 118.700 -0.017 0.000 2.747 263 N HA -0.135 4.604 4.740 -0.000 0.000 0.249 263 N C 0.501 175.986 175.510 -0.041 0.000 1.107 263 N CA 1.521 54.557 53.050 -0.023 0.000 0.707 263 N CB -1.066 37.401 38.487 -0.033 0.000 1.054 263 N HN 0.559 nan 8.380 nan 0.000 0.555 264 M N 0.869 120.449 119.600 -0.034 0.000 2.268 264 M HA 0.062 4.542 4.480 -0.000 0.000 0.349 264 M C 1.896 178.151 176.300 -0.074 0.000 1.485 264 M CA 0.161 55.429 55.300 -0.054 0.000 1.094 264 M CB 0.143 32.740 32.600 -0.005 0.000 1.843 264 M HN 0.162 nan 8.290 nan 0.000 0.460 265 L N 2.119 123.252 121.223 -0.151 0.000 2.191 265 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 265 L C 1.515 178.107 176.870 -0.463 0.000 1.103 265 L CA 1.175 55.869 54.840 -0.244 0.000 0.769 265 L CB -0.293 41.577 42.059 -0.316 0.000 0.908 265 L HN 0.658 nan 8.230 nan 0.000 0.438 266 E N -0.603 119.351 120.200 -0.410 0.000 2.274 266 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 266 E C 1.959 178.570 176.600 0.019 0.000 0.996 266 E CA 1.401 57.609 56.400 -0.319 0.000 0.840 266 E CB -0.111 29.542 29.700 -0.079 0.000 0.772 266 E HN 0.463 nan 8.360 nan 0.000 0.491 267 T N -1.939 112.644 114.554 0.047 0.000 3.107 267 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 267 T C 0.751 175.600 174.700 0.249 0.000 1.096 267 T CA -0.296 61.899 62.100 0.159 0.000 1.012 267 T CB -0.296 68.638 68.868 0.111 0.000 0.977 267 T HN -0.068 nan 8.240 nan 0.000 0.527 268 I N 2.195 122.889 120.570 0.206 0.000 2.683 268 I HA 0.143 4.312 4.170 -0.000 0.000 0.286 268 I C 0.376 176.597 176.117 0.174 0.000 1.175 268 I CA 0.055 61.474 61.300 0.198 0.000 1.429 268 I CB 0.575 38.686 38.000 0.185 0.000 1.371 268 I HN 0.162 nan 8.210 nan 0.000 0.569 269 K N 6.313 126.724 120.400 0.019 0.000 2.244 269 K HA 0.566 4.886 4.320 -0.000 0.000 0.260 269 K C -1.339 175.139 176.600 -0.203 0.000 0.951 269 K CA -0.641 55.468 56.287 -0.297 0.000 0.826 269 K CB 1.920 34.095 32.500 -0.543 0.000 1.108 269 K HN 0.388 nan 8.250 nan 0.000 0.433 270 V N 3.620 123.391 119.914 -0.238 0.000 2.532 270 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 270 V C -0.947 175.024 176.094 -0.205 0.000 1.041 270 V CA 0.006 62.193 62.300 -0.188 0.000 0.926 270 V CB 1.608 33.344 31.823 -0.146 0.000 0.992 270 V HN 1.018 nan 8.190 nan 0.000 0.457 271 S N 5.764 121.374 115.700 -0.150 0.000 2.627 271 S HA 0.663 5.133 4.470 -0.000 0.000 0.283 271 S C -2.329 172.218 174.600 -0.090 0.000 1.127 271 S CA -1.208 56.918 58.200 -0.123 0.000 0.863 271 S CB 2.035 65.173 63.200 -0.105 0.000 1.121 271 S HN 0.513 nan 8.310 nan 0.000 0.479 272 P HA -0.105 nan 4.420 nan 0.000 0.220 272 P C 0.928 178.201 177.300 -0.045 0.000 1.144 272 P CA 1.234 64.300 63.100 -0.057 0.000 0.800 272 P CB 0.039 31.710 31.700 -0.047 0.000 0.772 273 Q N -0.909 118.868 119.800 -0.037 0.000 2.269 273 Q HA -0.007 4.333 4.340 -0.000 0.000 0.201 273 Q C 1.872 177.868 176.000 -0.007 0.000 0.946 273 Q CA 1.763 57.556 55.803 -0.017 0.000 0.877 273 Q CB -0.911 27.824 28.738 -0.006 0.000 0.963 273 Q HN 0.416 nan 8.270 nan 0.000 0.472 274 T N -3.485 111.053 114.554 -0.027 0.000 3.001 274 T HA 0.206 4.556 4.350 -0.000 0.000 0.251 274 T C 1.709 176.323 174.700 -0.144 0.000 1.040 274 T CA -0.153 61.927 62.100 -0.032 0.000 0.985 274 T CB 0.091 68.965 68.868 0.010 0.000 1.011 274 T HN -0.028 nan 8.240 nan 0.000 0.509 275 M N 1.793 121.321 119.600 -0.120 0.000 2.080 275 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 275 M C 1.266 177.496 176.300 -0.118 0.000 1.068 275 M CA 2.150 57.370 55.300 -0.134 0.000 1.109 275 M CB -0.284 32.256 32.600 -0.100 0.000 1.342 275 M HN 0.115 nan 8.290 nan 0.000 0.405 276 D N -0.084 120.271 120.400 -0.075 0.000 2.117 276 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 276 D C 1.851 178.120 176.300 -0.051 0.000 0.987 276 D CA 1.656 55.625 54.000 -0.051 0.000 0.829 276 D CB -0.822 39.962 40.800 -0.027 0.000 0.961 276 D HN 0.563 nan 8.370 nan 0.000 0.460 277 G N 0.499 109.273 108.800 -0.044 0.000 2.442 277 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 277 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 277 G C 1.742 176.598 174.900 -0.072 0.000 1.141 277 G CA 0.429 45.535 45.100 0.011 0.000 0.763 277 G HN 0.265 nan 8.290 nan 0.000 0.554 278 I N 0.190 120.567 120.570 -0.322 0.000 2.163 278 I HA -0.095 4.075 4.170 -0.000 0.000 0.240 278 I C 2.727 178.758 176.117 -0.142 0.000 1.081 278 I CA 0.654 61.706 61.300 -0.414 0.000 1.353 278 I CB -0.251 37.425 38.000 -0.540 0.000 1.054 278 I HN 0.111 nan 8.210 nan 0.000 0.407 279 L N 0.548 121.710 121.223 -0.102 0.000 2.042 279 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 279 L C 2.623 179.484 176.870 -0.014 0.000 1.076 279 L CA 1.303 56.124 54.840 -0.031 0.000 0.749 279 L CB -0.622 41.422 42.059 -0.026 0.000 0.893 279 L HN 0.195 nan 8.230 nan 0.000 0.432 280 K N 0.328 120.717 120.400 -0.018 0.000 2.044 280 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 280 K C 2.155 178.753 176.600 -0.003 0.000 1.049 280 K CA 2.086 58.370 56.287 -0.006 0.000 0.927 280 K CB -0.376 32.127 32.500 0.005 0.000 0.713 280 K HN 0.067 nan 8.250 nan 0.000 0.443 281 S N 0.112 115.819 115.700 0.012 0.000 2.382 281 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 281 S C 1.877 176.470 174.600 -0.012 0.000 1.027 281 S CA 1.358 59.572 58.200 0.024 0.000 0.991 281 S CB -0.322 62.933 63.200 0.092 0.000 0.823 281 S HN 0.288 nan 8.310 nan 0.000 0.469 282 I N 1.287 121.850 120.570 -0.013 0.000 2.226 282 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 282 I C 1.881 177.929 176.117 -0.115 0.000 1.100 282 I CA 1.097 62.377 61.300 -0.033 0.000 1.374 282 I CB -0.298 37.736 38.000 0.056 0.000 1.057 282 I HN 0.233 nan 8.210 nan 0.000 0.413 283 L N 0.483 121.660 121.223 -0.076 0.000 2.201 283 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 283 L C 2.531 179.322 176.870 -0.132 0.000 1.105 283 L CA 1.093 55.866 54.840 -0.112 0.000 0.775 283 L CB -0.532 41.497 42.059 -0.049 0.000 0.913 283 L HN 0.245 nan 8.230 nan 0.000 0.440 284 K N 0.345 120.687 120.400 -0.096 0.000 2.062 284 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 284 K C 1.969 178.493 176.600 -0.126 0.000 1.051 284 K CA 1.181 57.416 56.287 -0.087 0.000 0.941 284 K CB 0.102 32.573 32.500 -0.050 0.000 0.719 284 K HN 0.081 nan 8.250 nan 0.000 0.440 285 V N 2.083 121.905 119.914 -0.153 0.000 2.307 285 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 285 V C 2.496 178.391 176.094 -0.333 0.000 1.045 285 V CA 2.015 64.191 62.300 -0.208 0.000 1.024 285 V CB -0.592 31.116 31.823 -0.191 0.000 0.651 285 V HN 0.425 nan 8.190 nan 0.000 0.449 286 K N 0.527 120.670 120.400 -0.428 0.000 2.044 286 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 286 K C 2.340 178.724 176.600 -0.359 0.000 1.049 286 K CA 2.230 58.178 56.287 -0.565 0.000 0.927 286 K CB -0.201 31.937 32.500 -0.602 0.000 0.713 286 K HN 0.393 nan 8.250 nan 0.000 0.443 287 K N -0.164 120.096 120.400 -0.234 0.000 2.025 287 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 287 K C 2.062 178.588 176.600 -0.123 0.000 1.049 287 K CA 1.109 57.309 56.287 -0.145 0.000 0.933 287 K CB -0.194 32.246 32.500 -0.100 0.000 0.714 287 K HN 0.241 nan 8.250 nan 0.000 0.438 288 A N 1.050 123.794 122.820 -0.126 0.000 1.940 288 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 288 A C 1.936 179.459 177.584 -0.101 0.000 1.176 288 A CA 1.400 53.379 52.037 -0.098 0.000 0.631 288 A CB -0.332 18.613 19.000 -0.092 0.000 0.814 288 A HN 0.362 nan 8.150 nan 0.000 0.446 289 L N -2.138 118.981 121.223 -0.174 0.000 2.638 289 L HA 0.263 4.603 4.340 -0.000 0.000 0.232 289 L C 1.388 178.174 176.870 -0.139 0.000 1.099 289 L CA 0.431 55.172 54.840 -0.165 0.000 0.883 289 L CB 0.173 42.056 42.059 -0.292 0.000 1.136 289 L HN 0.572 nan 8.230 nan 0.000 0.492 290 G N 1.384 110.085 108.800 -0.165 0.000 2.256 290 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.272 290 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.272 290 G C 0.209 175.012 174.900 -0.162 0.000 1.076 290 G CA -0.047 45.021 45.100 -0.053 0.000 0.882 290 G HN 0.184 nan 8.290 nan 0.000 0.497 291 M N -0.753 118.453 119.600 -0.656 0.000 2.240 291 M HA 0.600 5.080 4.480 -0.000 0.000 0.333 291 M C 0.568 176.595 176.300 -0.455 0.000 1.110 291 M CA 0.286 54.798 55.300 -1.313 0.000 1.173 291 M CB 0.412 31.941 32.600 -1.785 0.000 1.458 291 M HN 0.550 nan 8.290 nan 0.000 0.458 292 F N 0.025 119.974 119.950 -0.002 0.000 2.668 292 F HA 0.637 5.164 4.527 -0.000 0.000 0.309 292 F C -1.336 174.748 175.800 0.472 0.000 1.117 292 F CA -1.609 56.556 58.000 0.275 0.000 0.951 292 F CB 0.623 39.764 39.000 0.235 0.000 1.323 292 F HN 0.212 nan 8.300 nan 0.000 0.451 293 I N 2.227 123.161 120.570 0.606 0.000 2.416 293 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 293 I C 0.796 177.221 176.117 0.513 0.000 1.051 293 I CA 0.016 61.553 61.300 0.395 0.000 1.375 293 I CB 0.886 38.998 38.000 0.186 0.000 1.407 293 I HN 0.807 nan 8.210 nan 0.000 0.516 294 S N 4.262 120.249 115.700 0.480 0.000 2.566 294 S HA 0.002 4.472 4.470 -0.000 0.000 0.280 294 S C 0.902 175.622 174.600 0.200 0.000 1.343 294 S CA -0.149 58.275 58.200 0.374 0.000 1.036 294 S CB 0.324 63.689 63.200 0.275 0.000 0.866 294 S HN 0.532 nan 8.310 nan 0.000 0.526 295 D N 1.286 121.773 120.400 0.145 0.000 2.339 295 D HA 0.107 4.747 4.640 -0.000 0.000 0.217 295 D C 0.258 176.609 176.300 0.085 0.000 1.050 295 D CA 0.391 54.468 54.000 0.128 0.000 0.856 295 D CB 0.250 41.164 40.800 0.189 0.000 0.922 295 D HN 0.672 nan 8.370 nan 0.000 0.518 296 T N -1.439 113.164 114.554 0.081 0.000 2.841 296 T HA 0.545 4.895 4.350 -0.000 0.000 0.283 296 T C -2.933 171.790 174.700 0.037 0.000 1.000 296 T CA -2.231 59.901 62.100 0.053 0.000 0.977 296 T CB 2.550 71.451 68.868 0.055 0.000 0.979 296 T HN -0.331 nan 8.240 nan 0.000 0.446 297 P HA 0.558 nan 4.420 nan 0.000 0.269 297 P C 0.686 177.990 177.300 0.006 0.000 1.209 297 P CA 0.860 63.961 63.100 0.003 0.000 0.776 297 P CB 0.617 32.312 31.700 -0.008 0.000 0.876 298 G N 0.854 109.653 108.800 -0.000 0.000 2.291 298 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.249 298 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.249 298 G C -1.191 173.704 174.900 -0.008 0.000 1.340 298 G CA -0.790 44.306 45.100 -0.005 0.000 1.017 298 G HN 0.443 nan 8.290 nan 0.000 0.470 299 E N 0.850 121.043 120.200 -0.010 0.000 2.568 299 E HA 0.141 4.491 4.350 -0.000 0.000 0.262 299 E C 0.450 177.051 176.600 0.000 0.000 0.961 299 E CA 0.432 56.825 56.400 -0.012 0.000 0.945 299 E CB 0.482 30.169 29.700 -0.023 0.000 0.924 299 E HN 0.349 nan 8.360 nan 0.000 0.467 300 R N 2.558 123.060 120.500 0.003 0.000 2.491 300 R HA 0.021 4.360 4.340 -0.000 0.000 0.283 300 R C 0.358 176.681 176.300 0.038 0.000 1.072 300 R CA -0.411 55.706 56.100 0.028 0.000 1.048 300 R CB 0.191 30.507 30.300 0.027 0.000 0.983 300 R HN 0.533 nan 8.270 nan 0.000 0.450 301 N N 3.260 121.993 118.700 0.056 0.000 2.424 301 N HA 0.103 4.843 4.740 -0.000 0.000 0.257 301 N C -2.197 173.419 175.510 0.177 0.000 1.250 301 N CA -1.556 51.520 53.050 0.042 0.000 0.946 301 N CB 0.370 38.830 38.487 -0.046 0.000 1.175 301 N HN 0.111 nan 8.380 nan 0.000 0.477 302 P HA -0.140 nan 4.420 nan 0.000 0.218 302 P C 0.749 178.292 177.300 0.404 0.000 1.148 302 P CA 1.082 64.388 63.100 0.343 0.000 0.822 302 P CB -0.131 31.793 31.700 0.372 0.000 0.784 303 Y N 1.147 121.643 120.300 0.326 0.000 2.184 303 Y HA -0.128 4.422 4.550 -0.000 0.000 0.290 303 Y C 1.921 177.912 175.900 0.152 0.000 1.129 303 Y CA 1.358 59.557 58.100 0.166 0.000 1.144 303 Y CB -0.821 37.645 38.460 0.010 0.000 0.995 303 Y HN 0.005 nan 8.280 nan 0.000 0.513 304 E N -0.347 119.868 120.200 0.024 0.000 2.110 304 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 304 E C 1.881 178.498 176.600 0.029 0.000 0.988 304 E CA 1.278 57.640 56.400 -0.062 0.000 0.804 304 E CB -0.259 29.470 29.700 0.047 0.000 0.745 304 E HN 0.415 nan 8.360 nan 0.000 0.458 305 N N 1.268 120.024 118.700 0.093 0.000 2.109 305 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 305 N C 1.751 177.285 175.510 0.041 0.000 1.034 305 N CA 0.812 53.915 53.050 0.088 0.000 0.846 305 N CB -0.146 38.420 38.487 0.132 0.000 1.010 305 N HN 0.096 nan 8.380 nan 0.000 0.425 306 I N -0.195 120.442 120.570 0.112 0.000 2.163 306 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 306 I C 2.008 178.139 176.117 0.024 0.000 1.085 306 I CA 0.933 62.291 61.300 0.096 0.000 1.347 306 I CB -0.114 38.042 38.000 0.260 0.000 1.044 306 I HN 0.235 nan 8.210 nan 0.000 0.408 307 L N -0.036 121.184 121.223 -0.004 0.000 2.017 307 L HA -0.285 4.055 4.340 -0.000 0.000 0.208 307 L C 2.313 179.147 176.870 -0.060 0.000 1.073 307 L CA 1.959 56.760 54.840 -0.065 0.000 0.745 307 L CB -1.057 40.846 42.059 -0.261 0.000 0.894 307 L HN 0.301 nan 8.230 nan 0.000 0.432 308 Y N 0.460 120.711 120.300 -0.082 0.000 2.097 308 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 308 Y C 2.511 178.356 175.900 -0.092 0.000 1.152 308 Y CA 2.285 60.353 58.100 -0.052 0.000 1.136 308 Y CB -0.093 38.353 38.460 -0.024 0.000 0.975 308 Y HN 0.160 nan 8.280 nan 0.000 0.498 309 K N -0.309 120.096 120.400 0.008 0.000 2.148 309 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 309 K C 2.040 178.558 176.600 -0.138 0.000 1.050 309 K CA 1.615 57.850 56.287 -0.087 0.000 0.942 309 K CB -0.177 32.147 32.500 -0.294 0.000 0.724 309 K HN 0.396 nan 8.250 nan 0.000 0.446 310 I N 0.299 120.792 120.570 -0.128 0.000 2.277 310 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 310 I C 2.037 178.069 176.117 -0.143 0.000 1.094 310 I CA 0.781 62.017 61.300 -0.106 0.000 1.393 310 I CB -0.073 37.888 38.000 -0.065 0.000 1.078 310 I HN 0.190 nan 8.210 nan 0.000 0.417 311 C N 0.447 119.634 119.300 -0.189 0.000 2.472 311 C HA -0.051 4.409 4.460 -0.000 0.000 0.278 311 C C 2.588 177.418 174.990 -0.266 0.000 1.447 311 C CA 0.017 58.912 59.018 -0.205 0.000 1.773 311 C CB -1.063 26.557 27.740 -0.201 0.000 1.793 311 C HN 0.470 nan 8.230 nan 0.000 0.544 312 L N 0.813 121.846 121.223 -0.318 0.000 2.131 312 L HA 0.021 4.361 4.340 -0.000 0.000 0.210 312 L C 0.917 177.685 176.870 -0.171 0.000 1.092 312 L CA 1.804 56.474 54.840 -0.282 0.000 0.759 312 L CB -0.071 41.854 42.059 -0.223 0.000 0.903 312 L HN 0.340 nan 8.230 nan 0.000 0.435 313 S N -2.421 113.199 115.700 -0.134 0.000 2.570 313 S HA 0.502 4.971 4.470 -0.000 0.000 0.286 313 S C 0.276 174.818 174.600 -0.096 0.000 1.143 313 S CA -0.343 57.798 58.200 -0.099 0.000 0.921 313 S CB 0.830 63.988 63.200 -0.070 0.000 1.108 313 S HN 0.188 nan 8.310 nan 0.000 0.456 314 G N 1.743 110.488 108.800 -0.091 0.000 3.383 314 G HA2 0.307 4.267 3.960 -0.000 0.000 0.251 314 G HA3 0.307 4.267 3.960 -0.000 0.000 0.251 314 G C -0.262 174.577 174.900 -0.103 0.000 1.203 314 G CA -0.062 44.981 45.100 -0.096 0.000 0.852 314 G HN 0.635 nan 8.290 nan 0.000 0.531 315 D N -0.744 119.596 120.400 -0.101 0.000 2.328 315 D HA 0.517 5.157 4.640 -0.000 0.000 0.243 315 D C 0.363 176.590 176.300 -0.123 0.000 1.324 315 D CA 0.449 54.377 54.000 -0.121 0.000 0.966 315 D CB 0.502 41.251 40.800 -0.086 0.000 1.324 315 D HN 0.299 nan 8.370 nan 0.000 0.549 316 G N 1.499 110.172 108.800 -0.211 0.000 2.367 316 G HA2 0.097 4.057 3.960 -0.000 0.000 0.272 316 G HA3 0.097 4.057 3.960 -0.000 0.000 0.272 316 G C -1.672 173.092 174.900 -0.227 0.000 1.271 316 G CA -0.922 44.076 45.100 -0.170 0.000 0.893 316 G HN 0.104 nan 8.290 nan 0.000 0.485 317 W N 1.786 123.109 121.300 0.039 0.000 2.338 317 W HA 0.369 5.029 4.660 -0.000 0.000 0.315 317 W C -1.868 174.703 176.519 0.087 0.000 1.005 317 W CA -1.411 55.978 57.345 0.074 0.000 1.380 317 W CB 1.962 31.467 29.460 0.075 0.000 1.235 317 W HN 0.364 nan 8.180 nan 0.000 0.409 318 P HA -0.228 nan 4.420 nan 0.000 0.216 318 P C 1.006 178.358 177.300 0.087 0.000 1.150 318 P CA 1.837 65.002 63.100 0.107 0.000 0.837 318 P CB 0.304 32.026 31.700 0.036 0.000 0.786 319 Y N -0.566 119.828 120.300 0.157 0.000 2.397 319 Y HA 0.082 4.632 4.550 0.000 0.000 0.292 319 Y C 2.270 178.241 175.900 0.119 0.000 1.115 319 Y CA 0.453 58.636 58.100 0.139 0.000 1.208 319 Y CB -0.370 38.178 38.460 0.147 0.000 1.046 319 Y HN -0.099 nan 8.280 nan 0.000 0.552 320 I N -3.638 117.106 120.570 0.291 0.000 4.327 320 I HA 0.528 4.698 4.170 -0.000 0.000 0.331 320 I C 0.822 176.989 176.117 0.084 0.000 1.348 320 I CA -0.488 60.908 61.300 0.161 0.000 1.152 320 I CB -0.058 38.009 38.000 0.113 0.000 1.151 320 I HN -0.135 nan 8.210 nan 0.000 0.410 321 A N 1.006 123.918 122.820 0.153 0.000 2.287 321 A HA 0.590 4.910 4.320 -0.000 0.000 0.273 321 A C 0.447 178.068 177.584 0.061 0.000 1.091 321 A CA -0.139 51.964 52.037 0.109 0.000 0.817 321 A CB 0.346 19.506 19.000 0.265 0.000 1.069 321 A HN 0.289 nan 8.150 nan 0.000 0.492 322 S N -0.478 115.239 115.700 0.029 0.000 2.509 322 S HA 0.148 4.618 4.470 -0.000 0.000 0.287 322 S C 0.849 175.468 174.600 0.033 0.000 1.248 322 S CA 0.042 58.250 58.200 0.013 0.000 1.089 322 S CB -0.286 62.914 63.200 0.001 0.000 0.900 322 S HN 0.598 nan 8.310 nan 0.000 0.496 323 R N 1.907 122.418 120.500 0.018 0.000 2.508 323 R HA 0.101 4.441 4.340 -0.000 0.000 0.300 323 R C 1.886 178.183 176.300 -0.005 0.000 0.970 323 R CA 0.577 56.687 56.100 0.018 0.000 1.102 323 R CB 0.182 30.498 30.300 0.028 0.000 1.246 323 R HN 0.792 nan 8.270 nan 0.000 0.539 324 T N -2.828 111.715 114.554 -0.019 0.000 3.051 324 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 324 T C 1.538 176.215 174.700 -0.038 0.000 1.127 324 T CA 1.032 63.107 62.100 -0.041 0.000 1.107 324 T CB 0.055 68.890 68.868 -0.055 0.000 0.898 324 T HN -0.104 nan 8.240 nan 0.000 0.517 325 S N 0.501 116.187 115.700 -0.024 0.000 2.556 325 S HA 0.367 4.837 4.470 -0.000 0.000 0.216 325 S C 0.515 175.100 174.600 -0.025 0.000 0.970 325 S CA -0.505 57.680 58.200 -0.024 0.000 0.912 325 S CB -0.146 63.045 63.200 -0.014 0.000 0.790 325 S HN 0.448 nan 8.310 nan 0.000 0.504 326 I N 3.777 124.331 120.570 -0.026 0.000 2.556 326 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 326 I C 1.084 177.173 176.117 -0.047 0.000 1.114 326 I CA 0.198 61.477 61.300 -0.036 0.000 1.418 326 I CB 0.098 38.075 38.000 -0.038 0.000 1.394 326 I HN 0.144 nan 8.210 nan 0.000 0.552 327 T N 2.009 116.530 114.554 -0.054 0.000 2.943 327 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 327 T C 0.249 174.896 174.700 -0.088 0.000 1.015 327 T CA -0.051 62.012 62.100 -0.062 0.000 1.042 327 T CB 1.870 70.707 68.868 -0.051 0.000 1.055 327 T HN 1.235 nan 8.240 nan 0.000 0.500 328 G N 1.566 110.304 108.800 -0.103 0.000 2.730 328 G HA2 0.057 4.017 3.960 -0.000 0.000 0.686 328 G HA3 0.057 4.017 3.960 -0.000 0.000 0.686 328 G C -0.853 173.902 174.900 -0.242 0.000 1.343 328 G CA -1.042 43.962 45.100 -0.161 0.000 0.826 328 G HN 0.851 nan 8.290 nan 0.000 0.582 329 R N 0.237 120.481 120.500 -0.427 0.000 2.691 329 R HA 0.805 5.144 4.340 -0.000 0.000 0.259 329 R C 1.668 177.503 176.300 -0.776 0.000 1.048 329 R CA -0.167 55.507 56.100 -0.710 0.000 1.086 329 R CB 0.632 30.037 30.300 -1.492 0.000 1.166 329 R HN 1.219 nan 8.270 nan 0.000 0.526 330 A N 0.934 123.201 122.820 -0.922 0.000 1.902 330 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 330 A C 1.678 179.025 177.584 -0.394 0.000 1.181 330 A CA 1.707 53.283 52.037 -0.768 0.000 0.623 330 A CB -0.771 17.454 19.000 -1.291 0.000 0.818 330 A HN 0.864 nan 8.150 nan 0.000 0.443 331 W N -0.060 121.147 121.300 -0.156 0.000 2.611 331 W HA 0.119 4.779 4.660 -0.000 0.000 0.251 331 W C 1.243 177.732 176.519 -0.051 0.000 1.265 331 W CA 0.900 58.201 57.345 -0.073 0.000 1.295 331 W CB -0.330 29.121 29.460 -0.014 0.000 1.129 331 W HN 0.383 nan 8.180 nan 0.000 0.630 332 E N 0.562 120.629 120.200 -0.222 0.000 2.201 332 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 332 E C 1.783 178.316 176.600 -0.111 0.000 0.957 332 E CA 0.682 57.014 56.400 -0.112 0.000 0.858 332 E CB -0.216 29.378 29.700 -0.177 0.000 0.816 332 E HN 0.160 nan 8.360 nan 0.000 0.475 333 N N 0.315 118.910 118.700 -0.175 0.000 2.459 333 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 333 N C -0.149 175.298 175.510 -0.105 0.000 1.046 333 N CA 0.788 53.755 53.050 -0.138 0.000 0.904 333 N CB 0.412 38.798 38.487 -0.167 0.000 0.964 333 N HN -0.050 nan 8.380 nan 0.000 0.444 334 T N 1.008 115.505 114.554 -0.095 0.000 2.881 334 T HA 0.517 4.867 4.350 -0.000 0.000 0.291 334 T C -0.377 174.310 174.700 -0.021 0.000 0.990 334 T CA -0.735 61.328 62.100 -0.062 0.000 0.976 334 T CB 2.219 71.041 68.868 -0.076 0.000 0.970 334 T HN -0.117 nan 8.240 nan 0.000 0.438 335 V N 1.001 120.909 119.914 -0.011 0.000 2.823 335 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 335 V C -0.253 175.844 176.094 0.006 0.000 1.072 335 V CA -1.064 61.243 62.300 0.011 0.000 0.937 335 V CB 1.756 33.586 31.823 0.013 0.000 1.013 335 V HN 0.583 nan 8.190 nan 0.000 0.430 336 V N 2.844 122.767 119.914 0.015 0.000 2.439 336 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 336 V C -0.012 176.088 176.094 0.010 0.000 1.039 336 V CA 0.145 62.451 62.300 0.010 0.000 0.913 336 V CB 1.264 33.097 31.823 0.016 0.000 0.983 336 V HN 1.124 nan 8.190 nan 0.000 0.460 365 L N 1.829 123.029 121.223 -0.037 0.000 2.416 365 L HA 0.424 4.764 4.340 -0.000 0.000 0.272 365 L C 1.853 178.710 176.870 -0.022 0.000 1.161 365 L CA -0.031 54.781 54.840 -0.045 0.000 0.845 365 L CB 0.788 42.803 42.059 -0.073 0.000 1.119 365 L HN 0.872 nan 8.230 nan 0.000 0.464 366 T N -0.009 114.535 114.554 -0.017 0.000 2.734 366 T HA -0.075 4.275 4.350 -0.000 0.000 0.314 366 T C 1.179 175.899 174.700 0.034 0.000 1.057 366 T CA 0.242 62.352 62.100 0.017 0.000 1.047 366 T CB 0.126 69.002 68.868 0.013 0.000 0.991 366 T HN 0.510 nan 8.240 nan 0.000 0.540 367 Y N 1.339 121.618 120.300 -0.035 0.000 2.128 367 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 367 Y C 2.754 178.629 175.900 -0.041 0.000 1.154 367 Y CA 2.141 60.220 58.100 -0.035 0.000 1.149 367 Y CB -1.011 37.431 38.460 -0.029 0.000 0.976 367 Y HN 0.730 nan 8.280 nan 0.000 0.505 368 S N 0.290 115.885 115.700 -0.176 0.000 2.359 368 S HA -0.324 4.146 4.470 -0.000 0.000 0.223 368 S C 1.861 176.308 174.600 -0.254 0.000 1.039 368 S CA 1.955 60.005 58.200 -0.250 0.000 1.042 368 S CB -0.440 62.698 63.200 -0.103 0.000 0.915 368 S HN 0.635 nan 8.310 nan 0.000 0.439 369 Q N 0.322 120.017 119.800 -0.175 0.000 2.167 369 Q HA 0.046 4.386 4.340 -0.000 0.000 0.202 369 Q C 2.191 178.085 176.000 -0.176 0.000 0.970 369 Q CA 0.897 56.603 55.803 -0.161 0.000 0.855 369 Q CB -0.289 28.377 28.738 -0.119 0.000 0.911 369 Q HN 0.469 nan 8.270 nan 0.000 0.438 370 L N -0.040 121.070 121.223 -0.187 0.000 2.093 370 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 370 L C 2.394 179.134 176.870 -0.217 0.000 1.085 370 L CA 0.718 55.452 54.840 -0.176 0.000 0.755 370 L CB -0.378 41.608 42.059 -0.122 0.000 0.904 370 L HN 0.374 nan 8.230 nan 0.000 0.435 371 M N -1.043 118.351 119.600 -0.344 0.000 2.086 371 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 371 M C 2.336 178.520 176.300 -0.193 0.000 1.067 371 M CA 1.804 56.922 55.300 -0.303 0.000 1.116 371 M CB -1.376 30.971 32.600 -0.421 0.000 1.348 371 M HN 0.199 nan 8.290 nan 0.000 0.407 372 T N 2.111 116.549 114.554 -0.193 0.000 2.665 372 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 372 T C 1.889 176.521 174.700 -0.114 0.000 1.035 372 T CA 1.604 63.618 62.100 -0.143 0.000 1.151 372 T CB -0.501 68.276 68.868 -0.153 0.000 0.862 372 T HN 0.284 nan 8.240 nan 0.000 0.438 373 L N 1.162 122.311 121.223 -0.124 0.000 2.012 373 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 373 L C 2.240 179.057 176.870 -0.088 0.000 1.073 373 L CA 1.879 56.654 54.840 -0.109 0.000 0.748 373 L CB -0.476 41.505 42.059 -0.129 0.000 0.891 373 L HN 0.104 nan 8.230 nan 0.000 0.431 374 K N -0.415 119.931 120.400 -0.090 0.000 2.044 374 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 374 K C 1.808 178.379 176.600 -0.048 0.000 1.049 374 K CA 1.846 58.094 56.287 -0.065 0.000 0.927 374 K CB -0.371 32.090 32.500 -0.065 0.000 0.713 374 K HN 0.403 nan 8.250 nan 0.000 0.443 375 D N 0.338 120.704 120.400 -0.056 0.000 2.144 375 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 375 D C 1.799 178.082 176.300 -0.028 0.000 0.978 375 D CA 1.203 55.180 54.000 -0.038 0.000 0.833 375 D CB -0.224 40.549 40.800 -0.045 0.000 0.961 375 D HN 0.215 nan 8.370 nan 0.000 0.470 376 A N 0.786 123.583 122.820 -0.039 0.000 1.972 376 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 376 A C 2.052 179.624 177.584 -0.021 0.000 1.169 376 A CA 1.094 53.114 52.037 -0.029 0.000 0.635 376 A CB -0.433 18.544 19.000 -0.039 0.000 0.810 376 A HN 0.138 nan 8.150 nan 0.000 0.446 377 M N -0.363 119.222 119.600 -0.025 0.000 2.562 377 M HA 0.079 4.559 4.480 -0.000 0.000 0.257 377 M C 1.545 177.847 176.300 0.003 0.000 1.099 377 M CA 0.683 55.974 55.300 -0.015 0.000 1.099 377 M CB -0.848 31.739 32.600 -0.022 0.000 1.427 377 M HN 0.385 nan 8.290 nan 0.000 0.489 378 L N -0.004 121.226 121.223 0.012 0.000 2.353 378 L HA -0.199 4.140 4.340 -0.000 0.000 0.220 378 L C 2.530 179.446 176.870 0.077 0.000 1.133 378 L CA 0.965 55.831 54.840 0.043 0.000 0.798 378 L CB -0.707 41.373 42.059 0.034 0.000 0.922 378 L HN 0.426 nan 8.230 nan 0.000 0.445 379 Q N 0.621 120.452 119.800 0.050 0.000 2.226 379 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 379 Q C 0.878 176.912 176.000 0.056 0.000 0.975 379 Q CA 0.539 56.381 55.803 0.065 0.000 0.866 379 Q CB 0.139 28.895 28.738 0.031 0.000 0.915 379 Q HN 0.454 nan 8.270 nan 0.000 0.440 380 L N 1.887 123.112 121.223 0.004 0.000 2.439 380 L HA 0.047 4.387 4.340 -0.000 0.000 0.269 380 L C -0.030 176.704 176.870 -0.227 0.000 1.179 380 L CA -0.382 54.413 54.840 -0.075 0.000 0.828 380 L CB 0.430 42.452 42.059 -0.063 0.000 1.106 380 L HN 0.106 nan 8.230 nan 0.000 0.467 381 D N 4.569 124.731 120.400 -0.397 0.000 2.359 381 D HA 0.173 4.813 4.640 -0.000 0.000 0.230 381 D C -1.585 174.429 176.300 -0.477 0.000 1.118 381 D CA -2.245 51.232 54.000 -0.871 0.000 0.844 381 D CB 1.474 41.783 40.800 -0.819 0.000 1.059 381 D HN 0.177 nan 8.370 nan 0.000 0.493 382 P HA -0.092 nan 4.420 nan 0.000 0.222 382 P C 0.092 177.300 177.300 -0.153 0.000 1.147 382 P CA 0.808 63.800 63.100 -0.180 0.000 0.790 382 P CB 0.294 31.937 31.700 -0.096 0.000 0.780 383 N N -0.293 118.296 118.700 -0.185 0.000 2.412 383 N HA 0.162 4.902 4.740 -0.000 0.000 0.184 383 N C 0.709 176.147 175.510 -0.120 0.000 1.101 383 N CA -0.135 52.846 53.050 -0.115 0.000 0.881 383 N CB -0.060 38.388 38.487 -0.065 0.000 0.969 383 N HN 0.123 nan 8.380 nan 0.000 0.459 384 A N 0.963 123.687 122.820 -0.160 0.000 2.302 384 A HA 0.214 4.534 4.320 -0.000 0.000 0.285 384 A C 0.251 177.758 177.584 -0.129 0.000 1.105 384 A CA -0.583 51.372 52.037 -0.137 0.000 0.816 384 A CB 0.472 19.377 19.000 -0.158 0.000 1.067 384 A HN 0.121 nan 8.150 nan 0.000 0.489 385 K N 0.903 121.230 120.400 -0.122 0.000 2.491 385 K HA 0.102 4.422 4.320 -0.000 0.000 0.279 385 K C -0.859 175.646 176.600 -0.158 0.000 1.026 385 K CA 0.918 57.113 56.287 -0.153 0.000 1.070 385 K CB -0.009 32.414 32.500 -0.128 0.000 0.887 385 K HN 0.647 nan 8.250 nan 0.000 0.481 386 T N 4.716 119.151 114.554 -0.197 0.000 2.906 386 T HA 0.215 4.565 4.350 -0.000 0.000 0.302 386 T C -1.055 173.553 174.700 -0.153 0.000 1.002 386 T CA -0.606 61.425 62.100 -0.115 0.000 0.988 386 T CB 0.227 69.052 68.868 -0.072 0.000 0.972 386 T HN 0.460 nan 8.240 nan 0.000 0.447 387 W N 3.462 124.758 121.300 -0.006 0.000 2.251 387 W HA 0.674 5.334 4.660 -0.000 0.000 0.329 387 W C 0.311 176.871 176.519 0.069 0.000 1.234 387 W CA -0.746 56.635 57.345 0.060 0.000 1.228 387 W CB 0.745 30.280 29.460 0.125 0.000 1.135 387 W HN 0.380 nan 8.180 nan 0.000 0.576 388 M N 2.456 122.249 119.600 0.322 0.000 2.501 388 M HA 0.395 4.875 4.480 -0.000 0.000 0.293 388 M C -2.002 174.436 176.300 0.229 0.000 1.192 388 M CA -0.366 55.063 55.300 0.215 0.000 0.886 388 M CB 2.238 34.911 32.600 0.122 0.000 1.710 388 M HN 0.512 nan 8.290 nan 0.000 0.457 389 D N 2.673 123.162 120.400 0.149 0.000 2.655 389 D HA 0.711 5.351 4.640 -0.000 0.000 0.229 389 D C -1.628 174.710 176.300 0.063 0.000 1.229 389 D CA -0.417 53.666 54.000 0.138 0.000 0.807 389 D CB 2.461 43.342 40.800 0.135 0.000 1.514 389 D HN 0.671 nan 8.370 nan 0.000 0.444 390 I N -1.471 119.147 120.570 0.080 0.000 2.865 390 I HA 0.687 4.857 4.170 -0.000 0.000 0.302 390 I C -1.186 174.992 176.117 0.102 0.000 1.140 390 I CA -0.762 60.569 61.300 0.051 0.000 1.021 390 I CB 2.294 40.318 38.000 0.041 0.000 1.233 390 I HN 0.082 nan 8.210 nan 0.000 0.427 391 E N 2.821 123.085 120.200 0.107 0.000 2.202 391 E HA 0.745 5.095 4.350 -0.000 0.000 0.272 391 E C 0.016 176.717 176.600 0.168 0.000 0.951 391 E CA -0.242 56.267 56.400 0.182 0.000 0.813 391 E CB 1.789 31.631 29.700 0.237 0.000 1.151 391 E HN 1.154 nan 8.360 nan 0.000 0.398 392 G N 1.685 110.627 108.800 0.237 0.000 2.663 392 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 392 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 392 G C -0.596 174.395 174.900 0.152 0.000 1.246 392 G CA -0.900 44.323 45.100 0.204 0.000 0.795 392 G HN 0.407 nan 8.290 nan 0.000 0.627 393 R N 1.880 122.462 120.500 0.136 0.000 2.679 393 R HA 0.311 4.651 4.340 -0.000 0.000 0.269 393 R C -1.055 175.302 176.300 0.096 0.000 1.076 393 R CA -0.918 55.245 56.100 0.105 0.000 1.160 393 R CB 0.783 31.138 30.300 0.092 0.000 1.054 393 R HN 0.414 nan 8.270 nan 0.000 0.507 394 P HA -0.201 nan 4.420 nan 0.000 0.220 394 P C 0.477 177.819 177.300 0.070 0.000 1.148 394 P CA 1.440 64.583 63.100 0.071 0.000 0.803 394 P CB 0.085 31.822 31.700 0.061 0.000 0.782 395 E N -0.134 120.107 120.200 0.069 0.000 2.427 395 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 395 E C 0.023 176.670 176.600 0.077 0.000 1.028 395 E CA 0.689 57.129 56.400 0.066 0.000 0.864 395 E CB -0.391 29.345 29.700 0.060 0.000 0.813 395 E HN 0.143 nan 8.360 nan 0.000 0.514 396 D N 0.942 121.398 120.400 0.094 0.000 3.118 396 D HA 0.205 4.845 4.640 -0.000 0.000 0.259 396 D C -2.864 173.517 176.300 0.136 0.000 1.292 396 D CA -1.785 52.282 54.000 0.112 0.000 0.784 396 D CB 0.974 41.847 40.800 0.123 0.000 1.413 396 D HN -0.093 nan 8.370 nan 0.000 0.583 397 P HA 0.195 nan 4.420 nan 0.000 0.284 397 P C 0.744 178.115 177.300 0.118 0.000 1.253 397 P CA -0.542 62.624 63.100 0.110 0.000 0.800 397 P CB 1.801 33.545 31.700 0.074 0.000 0.961 398 V N -1.202 118.784 119.914 0.120 0.000 3.502 398 V HA 0.398 4.518 4.120 -0.000 0.000 0.288 398 V C 0.258 176.424 176.094 0.119 0.000 1.461 398 V CA 0.334 62.722 62.300 0.146 0.000 1.029 398 V CB -0.303 31.662 31.823 0.237 0.000 0.843 398 V HN 0.494 nan 8.190 nan 0.000 0.438 399 E N 0.276 120.484 120.200 0.013 0.000 2.304 399 E HA 0.691 5.041 4.350 -0.000 0.000 0.277 399 E C -1.807 174.637 176.600 -0.260 0.000 0.898 399 E CA -0.690 55.628 56.400 -0.136 0.000 0.764 399 E CB 2.696 32.433 29.700 0.061 0.000 1.216 399 E HN 0.446 nan 8.360 nan 0.000 0.419 400 I N 2.482 122.702 120.570 -0.583 0.000 2.647 400 I HA 0.737 4.907 4.170 -0.000 0.000 0.295 400 I C -0.853 174.995 176.117 -0.449 0.000 1.078 400 I CA -0.745 60.221 61.300 -0.556 0.000 1.048 400 I CB 2.094 39.583 38.000 -0.852 0.000 1.239 400 I HN 0.612 nan 8.210 nan 0.000 0.421 401 A N 6.012 128.728 122.820 -0.173 0.000 2.549 401 A HA 0.914 5.234 4.320 -0.000 0.000 0.297 401 A C -1.795 175.822 177.584 0.056 0.000 1.061 401 A CA -0.397 51.618 52.037 -0.036 0.000 0.690 401 A CB 1.691 20.653 19.000 -0.063 0.000 1.287 401 A HN 0.519 nan 8.150 nan 0.000 0.402 402 L N 1.374 122.679 121.223 0.137 0.000 2.381 402 L HA 0.701 5.041 4.340 -0.000 0.000 0.268 402 L C -1.153 175.883 176.870 0.277 0.000 0.997 402 L CA -0.403 54.549 54.840 0.187 0.000 0.818 402 L CB 2.141 44.293 42.059 0.154 0.000 1.310 402 L HN 0.728 nan 8.230 nan 0.000 0.416 403 Y N 1.785 122.164 120.300 0.132 0.000 2.396 403 Y HA 0.473 5.023 4.550 -0.000 0.000 0.332 403 Y C -1.337 174.653 175.900 0.150 0.000 1.034 403 Y CA -0.982 57.187 58.100 0.115 0.000 1.057 403 Y CB 1.846 40.312 38.460 0.010 0.000 1.220 403 Y HN 0.589 nan 8.280 nan 0.000 0.440 404 Q N 8.415 128.089 119.800 -0.209 0.000 2.425 404 Q HA 0.279 4.619 4.340 -0.000 0.000 0.254 404 Q C -2.225 173.428 176.000 -0.577 0.000 1.032 404 Q CA -1.968 53.649 55.803 -0.310 0.000 0.798 404 Q CB 1.980 30.641 28.738 -0.128 0.000 1.210 404 Q HN 0.498 nan 8.270 nan 0.000 0.491 405 P HA -0.195 nan 4.420 nan 0.000 0.217 405 P C 1.526 178.707 177.300 -0.200 0.000 1.150 405 P CA 1.168 63.898 63.100 -0.616 0.000 0.832 405 P CB 0.346 31.860 31.700 -0.310 0.000 0.787 406 S N -0.448 115.171 115.700 -0.135 0.000 2.382 406 S HA -0.129 4.340 4.470 -0.000 0.000 0.228 406 S C 2.047 176.633 174.600 -0.023 0.000 1.027 406 S CA 2.019 60.187 58.200 -0.054 0.000 0.991 406 S CB -0.914 62.261 63.200 -0.043 0.000 0.823 406 S HN 0.266 nan 8.310 nan 0.000 0.469 407 S N -0.836 114.845 115.700 -0.032 0.000 2.470 407 S HA 0.402 4.872 4.470 -0.000 0.000 0.222 407 S C 1.653 176.283 174.600 0.051 0.000 1.024 407 S CA 0.923 59.133 58.200 0.015 0.000 0.931 407 S CB -0.250 62.959 63.200 0.015 0.000 0.791 407 S HN 1.422 nan 8.310 nan 0.000 0.513 408 G N 1.028 109.856 108.800 0.046 0.000 2.157 408 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.239 408 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.239 408 G C 0.313 175.363 174.900 0.250 0.000 0.982 408 G CA -0.016 45.195 45.100 0.184 0.000 0.650 408 G HN 1.438 nan 8.290 nan 0.000 0.527 409 C N 0.259 119.649 119.300 0.151 0.000 2.459 409 C HA 0.964 5.424 4.460 -0.000 0.000 0.374 409 C C 0.169 175.322 174.990 0.273 0.000 1.241 409 C CA -0.883 58.219 59.018 0.139 0.000 2.352 409 C CB -0.005 27.756 27.740 0.035 0.000 2.490 409 C HN 1.447 nan 8.230 nan 0.000 0.583 410 Y N -0.081 120.289 120.300 0.118 0.000 2.571 410 Y HA 0.823 5.373 4.550 -0.000 0.000 0.341 410 Y C -1.201 174.760 175.900 0.101 0.000 1.076 410 Y CA -1.869 56.307 58.100 0.127 0.000 1.029 410 Y CB 0.768 39.260 38.460 0.052 0.000 1.308 410 Y HN 0.687 nan 8.280 nan 0.000 0.461 411 I N 3.895 124.610 120.570 0.241 0.000 2.378 411 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 411 I C -0.841 175.475 176.117 0.330 0.000 0.992 411 I CA -0.496 60.934 61.300 0.216 0.000 1.154 411 I CB 1.381 39.505 38.000 0.207 0.000 1.315 411 I HN 0.817 nan 8.210 nan 0.000 0.448 412 H N 7.821 127.009 119.070 0.197 0.000 2.934 412 H HA 0.512 5.068 4.556 -0.000 0.000 0.340 412 H C -1.764 173.546 175.328 -0.030 0.000 1.008 412 H CA -0.590 55.464 56.048 0.010 0.000 1.317 412 H CB 1.619 31.453 29.762 0.120 0.000 1.670 412 H HN 0.552 nan 8.280 nan 0.000 0.516 413 F N 2.960 122.573 119.950 -0.562 0.000 2.789 413 F HA 0.691 5.218 4.527 -0.000 0.000 0.319 413 F C -2.196 173.062 175.800 -0.904 0.000 1.168 413 F CA -1.085 56.491 58.000 -0.708 0.000 0.934 413 F CB 1.195 40.021 39.000 -0.290 0.000 1.375 413 F HN 0.184 nan 8.300 nan 0.000 0.480 414 F N 0.291 120.206 119.950 -0.059 0.000 2.654 414 F HA 0.804 5.331 4.527 -0.000 0.000 0.334 414 F C -0.348 175.490 175.800 0.063 0.000 1.078 414 F CA -1.035 56.906 58.000 -0.099 0.000 0.986 414 F CB 2.101 41.000 39.000 -0.169 0.000 1.362 414 F HN 0.710 nan 8.300 nan 0.000 0.498 415 R N 0.836 121.483 120.500 0.244 0.000 2.566 415 R HA 0.287 4.627 4.340 -0.000 0.000 0.271 415 R C -1.632 174.743 176.300 0.125 0.000 1.071 415 R CA -0.604 55.600 56.100 0.173 0.000 0.915 415 R CB 1.841 32.246 30.300 0.175 0.000 1.228 415 R HN 0.815 nan 8.270 nan 0.000 0.449 416 E N 4.791 125.044 120.200 0.088 0.000 2.360 416 E HA 0.176 4.525 4.350 -0.000 0.000 0.269 416 E C -2.015 174.608 176.600 0.038 0.000 1.022 416 E CA -1.600 54.827 56.400 0.046 0.000 0.887 416 E CB 0.965 30.705 29.700 0.068 0.000 0.990 416 E HN 0.371 nan 8.360 nan 0.000 0.426 417 P HA 0.027 nan 4.420 nan 0.000 0.278 417 P C 0.018 177.345 177.300 0.044 0.000 1.238 417 P CA -0.201 62.932 63.100 0.056 0.000 0.794 417 P CB 1.358 33.093 31.700 0.058 0.000 0.955 418 T N -0.293 114.305 114.554 0.073 0.000 2.735 418 T HA -0.071 4.279 4.350 -0.000 0.000 0.256 418 T C 0.567 175.307 174.700 0.068 0.000 1.042 418 T CA 1.334 63.470 62.100 0.059 0.000 1.147 418 T CB -0.576 68.328 68.868 0.061 0.000 0.865 418 T HN 0.481 nan 8.240 nan 0.000 0.421 419 D N 1.734 122.192 120.400 0.098 0.000 2.422 419 D HA 0.097 4.737 4.640 -0.000 0.000 0.227 419 D C 0.923 177.311 176.300 0.147 0.000 1.190 419 D CA -0.353 53.712 54.000 0.108 0.000 0.905 419 D CB 0.644 41.510 40.800 0.111 0.000 1.034 419 D HN -0.076 nan 8.370 nan 0.000 0.507 420 L N 5.035 126.327 121.223 0.115 0.000 2.042 420 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 420 L C 2.109 179.094 176.870 0.191 0.000 1.076 420 L CA 1.849 56.770 54.840 0.136 0.000 0.749 420 L CB -0.577 41.531 42.059 0.081 0.000 0.893 420 L HN 0.396 nan 8.230 nan 0.000 0.432 421 K N -1.148 119.335 120.400 0.138 0.000 2.032 421 K HA -0.284 4.036 4.320 -0.000 0.000 0.209 421 K C 2.216 178.900 176.600 0.140 0.000 1.048 421 K CA 1.892 58.253 56.287 0.123 0.000 0.927 421 K CB -0.122 32.431 32.500 0.088 0.000 0.712 421 K HN 0.307 nan 8.250 nan 0.000 0.441 422 Q N 0.026 119.915 119.800 0.147 0.000 2.167 422 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 422 Q C 1.716 177.818 176.000 0.170 0.000 0.970 422 Q CA 1.432 57.316 55.803 0.136 0.000 0.855 422 Q CB -0.367 28.447 28.738 0.127 0.000 0.911 422 Q HN 0.399 nan 8.270 nan 0.000 0.438 423 F N 0.611 120.623 119.950 0.103 0.000 2.134 423 F HA -0.138 4.388 4.527 -0.000 0.000 0.299 423 F C 1.747 177.611 175.800 0.106 0.000 1.097 423 F CA 1.590 59.677 58.000 0.144 0.000 1.264 423 F CB 0.057 39.142 39.000 0.142 0.000 1.001 423 F HN 0.005 nan 8.300 nan 0.000 0.479 424 K N -0.364 120.181 120.400 0.242 0.000 2.097 424 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 424 K C 2.104 178.676 176.600 -0.047 0.000 1.050 424 K CA 1.195 57.539 56.287 0.095 0.000 0.938 424 K CB -0.157 32.428 32.500 0.142 0.000 0.718 424 K HN 0.278 nan 8.250 nan 0.000 0.442 425 Q N 1.005 120.810 119.800 0.007 0.000 2.084 425 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 425 Q C 1.539 177.518 176.000 -0.036 0.000 0.978 425 Q CA 1.452 57.282 55.803 0.044 0.000 0.844 425 Q CB -0.295 28.508 28.738 0.108 0.000 0.898 425 Q HN 0.319 nan 8.270 nan 0.000 0.426 426 D N 0.492 120.785 120.400 -0.178 0.000 2.178 426 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 426 D C 1.707 177.467 176.300 -0.900 0.000 0.980 426 D CA 1.310 55.063 54.000 -0.412 0.000 0.842 426 D CB -0.136 40.479 40.800 -0.308 0.000 0.948 426 D HN 0.255 nan 8.370 nan 0.000 0.472 427 A N 0.807 123.110 122.820 -0.861 0.000 1.933 427 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 427 A C 2.063 179.383 177.584 -0.441 0.000 1.175 427 A CA 1.194 52.806 52.037 -0.709 0.000 0.628 427 A CB -0.152 18.629 19.000 -0.364 0.000 0.814 427 A HN 0.002 nan 8.150 nan 0.000 0.444 428 K N -1.608 118.540 120.400 -0.421 0.000 2.116 428 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 428 K C 1.171 177.372 176.600 -0.665 0.000 1.052 428 K CA 1.197 57.162 56.287 -0.538 0.000 0.952 428 K CB -0.209 31.877 32.500 -0.690 0.000 0.729 428 K HN 0.676 nan 8.250 nan 0.000 0.446 429 Y N -0.843 119.319 120.300 -0.230 0.000 2.442 429 Y HA 0.152 4.702 4.550 -0.000 0.000 0.250 429 Y C 2.193 177.928 175.900 -0.275 0.000 1.113 429 Y CA 0.014 57.993 58.100 -0.202 0.000 1.273 429 Y CB 0.810 39.184 38.460 -0.143 0.000 1.138 429 Y HN -0.068 nan 8.280 nan 0.000 0.522 430 S N -1.161 114.382 115.700 -0.261 0.000 3.597 430 S HA 0.019 4.489 4.470 -0.000 0.000 0.206 430 S C 1.330 175.771 174.600 -0.266 0.000 0.948 430 S CA 0.616 58.624 58.200 -0.319 0.000 0.863 430 S CB -0.339 62.761 63.200 -0.166 0.000 1.015 430 S HN 0.511 nan 8.310 nan 0.000 0.616 431 H N -0.929 118.095 119.070 -0.076 0.000 2.885 431 H HA 0.518 5.074 4.556 -0.000 0.000 0.260 431 H C 1.275 176.707 175.328 0.173 0.000 0.985 431 H CA 0.766 56.869 56.048 0.091 0.000 1.210 431 H CB -0.550 29.313 29.762 0.168 0.000 1.466 431 H HN 0.613 nan 8.280 nan 0.000 0.493 432 G N 1.089 109.974 108.800 0.141 0.000 2.203 432 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 432 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 432 G C -0.012 175.016 174.900 0.213 0.000 1.012 432 G CA 0.489 45.667 45.100 0.129 0.000 0.749 432 G HN 0.497 nan 8.290 nan 0.000 0.512 433 I N 0.937 121.721 120.570 0.357 0.000 2.471 433 I HA 0.178 4.348 4.170 -0.000 0.000 0.286 433 I C 0.473 176.762 176.117 0.286 0.000 1.079 433 I CA -0.562 60.855 61.300 0.195 0.000 1.398 433 I CB 0.875 38.938 38.000 0.105 0.000 1.403 433 I HN 0.032 nan 8.210 nan 0.000 0.530 434 D N 6.085 126.568 120.400 0.139 0.000 2.358 434 D HA -0.011 4.629 4.640 -0.000 0.000 0.258 434 D C 0.942 177.239 176.300 -0.005 0.000 1.223 434 D CA 0.121 54.174 54.000 0.088 0.000 0.886 434 D CB 1.514 42.301 40.800 -0.022 0.000 1.120 434 D HN 0.359 nan 8.370 nan 0.000 0.482 435 V N 4.120 124.016 119.914 -0.029 0.000 2.453 435 V HA -0.290 3.830 4.120 -0.000 0.000 0.252 435 V C 2.283 177.917 176.094 -0.768 0.000 1.068 435 V CA 3.115 65.134 62.300 -0.469 0.000 1.070 435 V CB -0.689 30.747 31.823 -0.645 0.000 0.664 435 V HN 0.871 nan 8.190 nan 0.000 0.461 436 T N -2.858 111.243 114.554 -0.754 0.000 2.833 436 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 436 T C 1.571 175.796 174.700 -0.791 0.000 1.054 436 T CA 1.589 63.001 62.100 -1.147 0.000 1.135 436 T CB -0.619 67.937 68.868 -0.519 0.000 0.869 436 T HN 0.545 nan 8.240 nan 0.000 0.466 437 D N 1.238 121.386 120.400 -0.418 0.000 2.310 437 D HA 0.059 4.699 4.640 -0.000 0.000 0.212 437 D C 1.836 178.005 176.300 -0.218 0.000 0.965 437 D CA 0.546 54.399 54.000 -0.245 0.000 0.879 437 D CB -0.160 40.534 40.800 -0.177 0.000 0.921 437 D HN 0.445 nan 8.370 nan 0.000 0.510 438 L N -0.217 120.831 121.223 -0.292 0.000 2.492 438 L HA 0.003 4.343 4.340 -0.000 0.000 0.223 438 L C 1.705 178.623 176.870 0.079 0.000 1.132 438 L CA -0.042 54.710 54.840 -0.146 0.000 0.850 438 L CB -0.160 41.821 42.059 -0.130 0.000 0.966 438 L HN -0.102 nan 8.230 nan 0.000 0.454 439 F N 0.694 120.614 119.950 -0.051 0.000 2.269 439 F HA -0.128 4.398 4.527 -0.000 0.000 0.301 439 F C 2.450 178.256 175.800 0.011 0.000 1.082 439 F CA 0.620 58.604 58.000 -0.026 0.000 1.360 439 F CB -1.127 37.858 39.000 -0.025 0.000 1.041 439 F HN 0.064 nan 8.300 nan 0.000 0.512 440 A N -0.469 122.482 122.820 0.217 0.000 2.208 440 A HA 0.055 4.375 4.320 -0.000 0.000 0.209 440 A C 1.287 179.020 177.584 0.248 0.000 1.161 440 A CA 0.708 52.879 52.037 0.223 0.000 0.782 440 A CB -1.093 18.042 19.000 0.225 0.000 0.816 440 A HN 0.311 nan 8.150 nan 0.000 0.477 441 T N -2.310 112.308 114.554 0.107 0.000 2.874 441 T HA 0.457 4.807 4.350 -0.000 0.000 0.281 441 T C -0.126 174.567 174.700 -0.012 0.000 0.994 441 T CA -0.551 61.496 62.100 -0.088 0.000 1.015 441 T CB 0.991 69.756 68.868 -0.172 0.000 1.028 441 T HN 0.212 nan 8.240 nan 0.000 0.523 442 Q N 2.218 121.986 119.800 -0.053 0.000 2.296 442 Q HA 0.434 4.774 4.340 -0.000 0.000 0.257 442 Q C -2.440 173.554 176.000 -0.011 0.000 0.942 442 Q CA -1.914 53.877 55.803 -0.019 0.000 0.939 442 Q CB 0.813 29.527 28.738 -0.039 0.000 1.198 442 Q HN 0.494 nan 8.270 nan 0.000 0.429 443 P HA 0.258 nan 4.420 nan 0.000 0.276 443 P C 0.182 177.466 177.300 -0.026 0.000 1.261 443 P CA 0.448 63.551 63.100 0.005 0.000 0.800 443 P CB 0.936 32.640 31.700 0.007 0.000 1.066 444 G N -0.147 108.642 108.800 -0.019 0.000 2.199 444 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 444 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 444 G C 0.954 175.792 174.900 -0.104 0.000 0.982 444 G CA 0.339 45.413 45.100 -0.043 0.000 0.632 444 G HN 0.471 nan 8.290 nan 0.000 0.529 445 L N 0.572 121.691 121.223 -0.174 0.000 2.191 445 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 445 L C 3.003 179.598 176.870 -0.459 0.000 1.103 445 L CA 1.949 56.522 54.840 -0.444 0.000 0.769 445 L CB -0.601 40.972 42.059 -0.811 0.000 0.908 445 L HN 0.382 nan 8.230 nan 0.000 0.438 446 T N -1.292 113.216 114.554 -0.077 0.000 2.732 446 T HA -0.136 4.214 4.350 -0.000 0.000 0.261 446 T C 2.151 176.885 174.700 0.056 0.000 1.040 446 T CA 1.582 63.777 62.100 0.158 0.000 1.145 446 T CB -0.043 68.981 68.868 0.258 0.000 0.866 446 T HN 0.250 nan 8.240 nan 0.000 0.427 447 S N 1.431 117.140 115.700 0.015 0.000 2.359 447 S HA -0.068 4.401 4.470 -0.000 0.000 0.224 447 S C 2.571 177.151 174.600 -0.034 0.000 1.035 447 S CA 1.090 59.292 58.200 0.003 0.000 1.018 447 S CB -0.615 62.584 63.200 -0.002 0.000 0.876 447 S HN 0.575 nan 8.310 nan 0.000 0.448 448 A N 1.008 123.776 122.820 -0.087 0.000 1.902 448 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 448 A C 2.356 179.873 177.584 -0.111 0.000 1.181 448 A CA 1.585 53.559 52.037 -0.104 0.000 0.623 448 A CB -0.903 18.013 19.000 -0.140 0.000 0.818 448 A HN 0.345 nan 8.150 nan 0.000 0.443 449 V N -0.088 119.724 119.914 -0.170 0.000 2.307 449 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 449 V C 2.404 178.489 176.094 -0.014 0.000 1.045 449 V CA 2.041 64.269 62.300 -0.121 0.000 1.024 449 V CB -0.606 31.092 31.823 -0.208 0.000 0.651 449 V HN 0.561 nan 8.190 nan 0.000 0.449 450 I N -0.013 120.571 120.570 0.025 0.000 2.439 450 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 450 I C 2.184 178.311 176.117 0.017 0.000 1.139 450 I CA 1.212 62.539 61.300 0.046 0.000 1.438 450 I CB -0.396 37.647 38.000 0.072 0.000 1.085 450 I HN 0.296 nan 8.210 nan 0.000 0.427 451 D N 1.122 121.523 120.400 0.002 0.000 2.149 451 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 451 D C 2.106 178.402 176.300 -0.007 0.000 0.990 451 D CA 1.579 55.577 54.000 -0.003 0.000 0.839 451 D CB -0.075 40.718 40.800 -0.011 0.000 0.948 451 D HN 0.374 nan 8.370 nan 0.000 0.460 452 A N -0.088 122.722 122.820 -0.016 0.000 2.178 452 A HA 0.129 4.449 4.320 -0.000 0.000 0.211 452 A C 1.090 178.668 177.584 -0.009 0.000 1.157 452 A CA -0.144 51.882 52.037 -0.018 0.000 0.780 452 A CB -0.234 18.744 19.000 -0.036 0.000 0.828 452 A HN 0.139 nan 8.150 nan 0.000 0.476 453 L N 0.901 122.124 121.223 -0.000 0.000 2.483 453 L HA 0.135 4.475 4.340 -0.000 0.000 0.276 453 L C -2.090 174.778 176.870 -0.004 0.000 1.213 453 L CA -1.538 53.303 54.840 0.002 0.000 0.843 453 L CB -0.024 42.043 42.059 0.013 0.000 1.107 453 L HN 0.071 nan 8.230 nan 0.000 0.487 454 P HA 0.021 nan 4.420 nan 0.000 0.265 454 P C -0.578 176.715 177.300 -0.012 0.000 1.193 454 P CA -0.253 62.839 63.100 -0.013 0.000 0.765 454 P CB 0.406 32.089 31.700 -0.028 0.000 0.823 455 R N 3.862 124.357 120.500 -0.007 0.000 2.583 455 R HA -0.032 4.308 4.340 -0.000 0.000 0.274 455 R C 0.852 177.144 176.300 -0.012 0.000 0.998 455 R CA 0.678 56.774 56.100 -0.007 0.000 1.081 455 R CB -0.810 29.488 30.300 -0.003 0.000 0.940 455 R HN 0.539 nan 8.270 nan 0.000 0.413 456 N N 1.802 120.494 118.700 -0.013 0.000 2.696 456 N HA -0.314 4.426 4.740 -0.000 0.000 0.249 456 N C -0.205 175.288 175.510 -0.029 0.000 1.090 456 N CA 0.933 53.971 53.050 -0.019 0.000 0.716 456 N CB -1.216 37.261 38.487 -0.017 0.000 1.020 456 N HN 0.614 nan 8.380 nan 0.000 0.548 457 M N 0.886 120.467 119.600 -0.031 0.000 2.249 457 M HA 0.062 4.542 4.480 -0.000 0.000 0.340 457 M C -0.209 176.059 176.300 -0.052 0.000 1.166 457 M CA 0.281 55.554 55.300 -0.045 0.000 1.115 457 M CB 0.676 33.251 32.600 -0.041 0.000 1.606 457 M HN -0.042 nan 8.290 nan 0.000 0.448 458 V N 6.972 126.843 119.914 -0.071 0.000 2.347 458 V HA 0.400 4.520 4.120 -0.000 0.000 0.280 458 V C -0.159 175.867 176.094 -0.114 0.000 1.021 458 V CA -0.463 61.785 62.300 -0.086 0.000 0.847 458 V CB 1.067 32.834 31.823 -0.093 0.000 0.990 458 V HN 0.722 nan 8.190 nan 0.000 0.444 459 I N 3.806 124.310 120.570 -0.110 0.000 2.404 459 I HA 0.382 4.552 4.170 -0.000 0.000 0.293 459 I C 0.369 176.367 176.117 -0.197 0.000 0.992 459 I CA -0.036 61.186 61.300 -0.132 0.000 1.149 459 I CB 2.098 40.061 38.000 -0.061 0.000 1.315 459 I HN 0.510 nan 8.210 nan 0.000 0.446 460 T N 5.499 119.840 114.554 -0.354 0.000 2.799 460 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 460 T C -0.473 173.991 174.700 -0.394 0.000 0.973 460 T CA -0.400 61.359 62.100 -0.568 0.000 1.035 460 T CB 0.532 68.700 68.868 -1.167 0.000 0.932 460 T HN 0.775 nan 8.240 nan 0.000 0.469 461 C N 2.359 121.549 119.300 -0.183 0.000 3.239 461 C HA 0.649 5.108 4.460 -0.000 0.000 0.317 461 C C 1.020 176.090 174.990 0.134 0.000 1.310 461 C CA -0.921 58.178 59.018 0.134 0.000 1.371 461 C CB 1.431 29.239 27.740 0.113 0.000 1.714 461 C HN 0.796 nan 8.230 nan 0.000 0.473 462 Q N 2.179 122.085 119.800 0.176 0.000 1.967 462 Q HA 0.249 4.589 4.340 -0.000 0.000 0.196 462 Q C 1.547 177.539 176.000 -0.013 0.000 0.978 462 Q CA 1.779 57.555 55.803 -0.044 0.000 0.833 462 Q CB -0.896 27.584 28.738 -0.429 0.000 0.898 462 Q HN 1.264 nan 8.270 nan 0.000 0.446 463 G N 1.255 110.074 108.800 0.032 0.000 2.595 463 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.287 463 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.287 463 G C 0.598 175.526 174.900 0.045 0.000 0.660 463 G CA 0.663 45.792 45.100 0.049 0.000 2.101 463 G HN 0.431 nan 8.290 nan 0.000 0.529 464 S N 1.296 117.008 115.700 0.021 0.000 2.371 464 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 464 S C 1.796 176.406 174.600 0.017 0.000 1.029 464 S CA 1.519 59.727 58.200 0.013 0.000 0.978 464 S CB -0.017 63.179 63.200 -0.006 0.000 0.833 464 S HN 0.415 nan 8.310 nan 0.000 0.466 465 D N 1.946 122.357 120.400 0.018 0.000 2.144 465 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 465 D C 1.816 178.134 176.300 0.029 0.000 0.978 465 D CA 1.434 55.446 54.000 0.020 0.000 0.833 465 D CB -0.466 40.344 40.800 0.017 0.000 0.961 465 D HN 0.761 nan 8.370 nan 0.000 0.470 466 D N 0.635 121.059 120.400 0.039 0.000 2.162 466 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 466 D C 2.040 178.370 176.300 0.050 0.000 0.967 466 D CA 0.261 54.290 54.000 0.048 0.000 0.840 466 D CB -0.263 40.574 40.800 0.061 0.000 0.972 466 D HN 0.101 nan 8.370 nan 0.000 0.482 467 I N 1.514 122.114 120.570 0.050 0.000 2.113 467 I HA -0.205 3.965 4.170 -0.000 0.000 0.238 467 I C 2.817 178.957 176.117 0.037 0.000 1.070 467 I CA 0.921 62.251 61.300 0.049 0.000 1.332 467 I CB -1.174 36.856 38.000 0.049 0.000 1.044 467 I HN 0.102 nan 8.210 nan 0.000 0.402 468 R N 1.289 121.806 120.500 0.027 0.000 2.103 468 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 468 R C 2.331 178.647 176.300 0.025 0.000 1.142 468 R CA 2.123 58.235 56.100 0.021 0.000 0.960 468 R CB -0.188 30.120 30.300 0.013 0.000 0.858 468 R HN 0.249 nan 8.270 nan 0.000 0.439 469 K N 0.138 120.556 120.400 0.030 0.000 2.057 469 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 469 K C 2.096 178.718 176.600 0.038 0.000 1.049 469 K CA 1.421 57.727 56.287 0.032 0.000 0.931 469 K CB -0.217 32.305 32.500 0.035 0.000 0.714 469 K HN 0.192 nan 8.250 nan 0.000 0.440 470 L N 1.146 122.396 121.223 0.044 0.000 2.046 470 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 470 L C 1.784 178.682 176.870 0.047 0.000 1.077 470 L CA 1.606 56.476 54.840 0.051 0.000 0.747 470 L CB -0.284 41.810 42.059 0.058 0.000 0.896 470 L HN 0.223 nan 8.230 nan 0.000 0.432 471 L N -0.847 120.400 121.223 0.041 0.000 2.109 471 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 471 L C 2.524 179.412 176.870 0.030 0.000 1.086 471 L CA 1.057 55.919 54.840 0.037 0.000 0.760 471 L CB -0.692 41.385 42.059 0.030 0.000 0.910 471 L HN 0.322 nan 8.230 nan 0.000 0.437 472 E N 0.269 120.485 120.200 0.026 0.000 2.058 472 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 472 E C 2.317 178.932 176.600 0.025 0.000 0.997 472 E CA 1.832 58.245 56.400 0.022 0.000 0.801 472 E CB -0.179 29.534 29.700 0.020 0.000 0.746 472 E HN 0.530 nan 8.360 nan 0.000 0.450 473 S N 0.626 116.344 115.700 0.030 0.000 2.442 473 S HA -0.137 4.333 4.470 -0.000 0.000 0.236 473 S C 1.620 176.239 174.600 0.032 0.000 1.007 473 S CA 0.835 59.054 58.200 0.032 0.000 0.965 473 S CB 0.065 63.288 63.200 0.038 0.000 0.773 473 S HN 0.106 nan 8.310 nan 0.000 0.504 474 Q N 0.589 120.410 119.800 0.034 0.000 2.204 474 Q HA 0.327 4.667 4.340 -0.000 0.000 0.209 474 Q C 1.135 177.150 176.000 0.025 0.000 0.861 474 Q CA 0.488 56.311 55.803 0.033 0.000 0.971 474 Q CB 0.085 28.849 28.738 0.043 0.000 1.095 474 Q HN 0.769 nan 8.270 nan 0.000 0.486 475 G N 2.033 110.845 108.800 0.021 0.000 2.176 475 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 475 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 475 G C 0.130 175.039 174.900 0.014 0.000 1.024 475 G CA -0.113 44.996 45.100 0.016 0.000 0.755 475 G HN 0.114 nan 8.290 nan 0.000 0.507 476 R N 0.020 120.530 120.500 0.016 0.000 2.983 476 R HA 0.268 4.608 4.340 -0.000 0.000 0.300 476 R C 1.374 177.680 176.300 0.011 0.000 1.367 476 R CA -0.577 55.531 56.100 0.013 0.000 1.564 476 R CB 0.317 30.628 30.300 0.017 0.000 1.314 476 R HN 0.356 nan 8.270 nan 0.000 0.622 477 K N 0.659 121.064 120.400 0.008 0.000 2.365 477 K HA -0.098 4.222 4.320 -0.000 0.000 0.199 477 K C 1.041 177.641 176.600 0.001 0.000 1.045 477 K CA 1.149 57.440 56.287 0.006 0.000 0.962 477 K CB 0.402 32.905 32.500 0.005 0.000 0.759 477 K HN 0.397 nan 8.250 nan 0.000 0.469 478 D N 0.601 121.001 120.400 0.000 0.000 2.312 478 D HA -0.113 4.527 4.640 -0.000 0.000 0.211 478 D C 0.740 177.035 176.300 -0.008 0.000 0.964 478 D CA 0.309 54.307 54.000 -0.004 0.000 0.877 478 D CB -0.089 40.709 40.800 -0.003 0.000 0.924 478 D HN 0.111 nan 8.370 nan 0.000 0.515 479 I N 1.575 122.141 120.570 -0.006 0.000 2.452 479 I HA -0.020 4.150 4.170 -0.000 0.000 0.287 479 I C 0.889 176.994 176.117 -0.018 0.000 1.079 479 I CA -0.222 61.070 61.300 -0.012 0.000 1.387 479 I CB 0.714 38.710 38.000 -0.007 0.000 1.404 479 I HN -0.185 nan 8.210 nan 0.000 0.522 480 K N 7.515 127.898 120.400 -0.028 0.000 2.368 480 K HA 0.377 4.697 4.320 -0.000 0.000 0.282 480 K C -1.044 175.528 176.600 -0.047 0.000 1.035 480 K CA -0.303 55.962 56.287 -0.035 0.000 0.973 480 K CB 0.575 33.052 32.500 -0.039 0.000 0.957 480 K HN 0.521 nan 8.250 nan 0.000 0.474 481 L N 5.685 126.881 121.223 -0.046 0.000 2.329 481 L HA 0.483 4.823 4.340 -0.000 0.000 0.279 481 L C -0.234 176.591 176.870 -0.075 0.000 1.014 481 L CA -0.899 53.906 54.840 -0.059 0.000 0.814 481 L CB 1.626 43.662 42.059 -0.038 0.000 1.257 481 L HN 0.548 nan 8.230 nan 0.000 0.424 482 I N 2.149 122.652 120.570 -0.112 0.000 2.330 482 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 482 I C -0.300 175.745 176.117 -0.120 0.000 1.001 482 I CA -0.328 60.899 61.300 -0.123 0.000 1.193 482 I CB 1.480 39.377 38.000 -0.172 0.000 1.345 482 I HN 0.542 nan 8.210 nan 0.000 0.461 483 D N 6.758 127.112 120.400 -0.077 0.000 2.317 483 D HA 0.156 4.796 4.640 -0.000 0.000 0.252 483 D C 0.804 177.071 176.300 -0.055 0.000 1.174 483 D CA -0.046 53.920 54.000 -0.056 0.000 0.866 483 D CB 1.466 42.246 40.800 -0.034 0.000 1.127 483 D HN 0.391 nan 8.370 nan 0.000 0.467 484 I N 2.948 123.495 120.570 -0.039 0.000 2.852 484 I HA -0.050 4.120 4.170 -0.000 0.000 0.264 484 I C 1.310 177.428 176.117 0.001 0.000 1.179 484 I CA 0.576 61.875 61.300 -0.002 0.000 1.480 484 I CB -0.723 37.337 38.000 0.101 0.000 1.111 484 I HN 0.668 nan 8.210 nan 0.000 0.441 485 A N 1.387 124.193 122.820 -0.024 0.000 2.739 485 A HA -0.215 4.105 4.320 -0.000 0.000 0.296 485 A C 0.399 177.963 177.584 -0.035 0.000 1.488 485 A CA 0.324 52.340 52.037 -0.034 0.000 0.746 485 A CB -2.455 16.532 19.000 -0.022 0.000 1.047 485 A HN 0.379 nan 8.150 nan 0.000 0.477 486 L N 0.911 122.098 121.223 -0.060 0.000 2.439 486 L HA 0.332 4.672 4.340 -0.000 0.000 0.269 486 L C 1.505 178.337 176.870 -0.064 0.000 1.179 486 L CA 0.318 55.123 54.840 -0.057 0.000 0.828 486 L CB 1.029 43.032 42.059 -0.094 0.000 1.106 486 L HN 0.808 nan 8.230 nan 0.000 0.467 487 S N 2.024 117.704 115.700 -0.033 0.000 2.589 487 S HA 0.038 4.508 4.470 -0.000 0.000 0.265 487 S C 0.961 175.542 174.600 -0.033 0.000 1.342 487 S CA -0.482 57.701 58.200 -0.027 0.000 1.005 487 S CB 1.067 64.260 63.200 -0.011 0.000 0.909 487 S HN 0.712 nan 8.310 nan 0.000 0.555 488 K N 0.737 121.125 120.400 -0.021 0.000 2.020 488 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 488 K C 2.057 178.662 176.600 0.009 0.000 1.050 488 K CA 2.161 58.445 56.287 -0.006 0.000 0.929 488 K CB -1.117 31.390 32.500 0.011 0.000 0.714 488 K HN 0.826 nan 8.250 nan 0.000 0.443 489 T N 1.470 116.028 114.554 0.007 0.000 2.684 489 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 489 T C 1.328 176.032 174.700 0.006 0.000 1.036 489 T CA 1.813 63.917 62.100 0.006 0.000 1.148 489 T CB -0.412 68.456 68.868 -0.001 0.000 0.863 489 T HN 0.310 nan 8.240 nan 0.000 0.436 490 D N 1.212 121.616 120.400 0.008 0.000 2.117 490 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 490 D C 2.512 178.845 176.300 0.055 0.000 0.982 490 D CA 1.501 55.515 54.000 0.022 0.000 0.828 490 D CB -0.621 40.195 40.800 0.026 0.000 0.967 490 D HN 0.505 nan 8.370 nan 0.000 0.464 491 S N 0.322 116.045 115.700 0.039 0.000 2.400 491 S HA -0.154 4.316 4.470 -0.000 0.000 0.232 491 S C 1.611 176.348 174.600 0.228 0.000 1.025 491 S CA 0.785 59.042 58.200 0.095 0.000 0.993 491 S CB -0.204 62.942 63.200 -0.090 0.000 0.808 491 S HN 0.204 nan 8.310 nan 0.000 0.478 492 R N 0.548 121.123 120.500 0.125 0.000 2.507 492 R HA 0.311 4.651 4.340 -0.000 0.000 0.298 492 R C 1.787 178.102 176.300 0.025 0.000 0.999 492 R CA -0.156 56.001 56.100 0.096 0.000 1.082 492 R CB 0.006 30.352 30.300 0.077 0.000 1.246 492 R HN 0.470 nan 8.270 nan 0.000 0.553 493 K N 0.632 121.021 120.400 -0.017 0.000 2.063 493 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 493 K C 0.428 176.810 176.600 -0.363 0.000 1.048 493 K CA 1.613 57.771 56.287 -0.216 0.000 0.928 493 K CB 0.074 32.392 32.500 -0.304 0.000 0.713 493 K HN 0.186 nan 8.250 nan 0.000 0.442 494 Y N 0.773 121.074 120.300 0.002 0.000 2.532 494 Y HA 0.106 4.656 4.550 -0.000 0.000 0.283 494 Y C 1.722 177.605 175.900 -0.030 0.000 1.181 494 Y CA -0.111 57.977 58.100 -0.019 0.000 1.256 494 Y CB 0.172 38.607 38.460 -0.041 0.000 1.112 494 Y HN 0.256 nan 8.280 nan 0.000 0.521 495 E N 0.868 121.117 120.200 0.082 0.000 2.049 495 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 495 E C 1.553 178.272 176.600 0.198 0.000 1.007 495 E CA 1.790 58.257 56.400 0.111 0.000 0.809 495 E CB 0.074 29.860 29.700 0.143 0.000 0.749 495 E HN 0.405 nan 8.360 nan 0.000 0.450 496 N N 0.333 119.120 118.700 0.144 0.000 2.120 496 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 496 N C 1.733 177.314 175.510 0.117 0.000 1.024 496 N CA 1.334 54.468 53.050 0.140 0.000 0.852 496 N CB -0.565 37.960 38.487 0.064 0.000 1.003 496 N HN 0.282 nan 8.380 nan 0.000 0.424 497 A N 0.867 123.745 122.820 0.096 0.000 1.917 497 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 497 A C 2.566 180.164 177.584 0.024 0.000 1.182 497 A CA 1.560 53.644 52.037 0.078 0.000 0.633 497 A CB -0.842 18.259 19.000 0.168 0.000 0.819 497 A HN 0.127 nan 8.150 nan 0.000 0.448 498 V N -2.422 117.504 119.914 0.021 0.000 2.323 498 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 498 V C 2.251 178.286 176.094 -0.099 0.000 1.041 498 V CA 1.753 64.011 62.300 -0.070 0.000 1.025 498 V CB -0.944 30.758 31.823 -0.201 0.000 0.656 498 V HN 0.801 nan 8.190 nan 0.000 0.451 499 W N 0.334 121.604 121.300 -0.050 0.000 2.363 499 W HA -0.139 4.521 4.660 -0.000 0.000 0.296 499 W C 2.290 178.766 176.519 -0.072 0.000 1.212 499 W CA 1.238 58.547 57.345 -0.059 0.000 1.260 499 W CB -0.377 29.048 29.460 -0.059 0.000 1.131 499 W HN 0.274 nan 8.180 nan 0.000 0.530 500 D N -0.642 119.834 120.400 0.127 0.000 2.144 500 D HA -0.227 4.413 4.640 -0.000 0.000 0.199 500 D C 1.926 178.181 176.300 -0.075 0.000 0.984 500 D CA 1.431 55.449 54.000 0.029 0.000 0.834 500 D CB -0.583 40.221 40.800 0.007 0.000 0.955 500 D HN 0.281 nan 8.370 nan 0.000 0.465 501 Q N -1.201 118.476 119.800 -0.206 0.000 2.137 501 Q HA -0.089 4.251 4.340 -0.000 0.000 0.198 501 Q C 0.587 176.248 176.000 -0.565 0.000 0.960 501 Q CA 0.888 56.391 55.803 -0.500 0.000 0.847 501 Q CB 0.222 28.432 28.738 -0.880 0.000 0.915 501 Q HN 0.321 nan 8.270 nan 0.000 0.448 502 Y N -0.898 119.336 120.300 -0.110 0.000 2.641 502 Y HA 0.203 4.753 4.550 -0.000 0.000 0.248 502 Y C 1.237 177.058 175.900 -0.132 0.000 1.170 502 Y CA -0.313 57.686 58.100 -0.168 0.000 1.201 502 Y CB 0.496 38.761 38.460 -0.325 0.000 1.232 502 Y HN 0.000 nan 8.280 nan 0.000 0.537 503 K N 1.329 121.791 120.400 0.103 0.000 2.160 503 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 503 K C 1.434 178.051 176.600 0.028 0.000 1.047 503 K CA 2.111 58.508 56.287 0.182 0.000 0.930 503 K CB -0.262 32.358 32.500 0.201 0.000 0.720 503 K HN 0.230 nan 8.250 nan 0.000 0.450 504 D N -0.405 120.014 120.400 0.032 0.000 2.311 504 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 504 D C 1.381 177.735 176.300 0.090 0.000 0.972 504 D CA 0.816 54.846 54.000 0.050 0.000 0.887 504 D CB 0.073 40.962 40.800 0.147 0.000 0.915 504 D HN 0.323 nan 8.370 nan 0.000 0.497 505 L N -1.007 120.249 121.223 0.055 0.000 2.492 505 L HA 0.123 4.463 4.340 -0.000 0.000 0.223 505 L C 0.513 177.467 176.870 0.141 0.000 1.132 505 L CA -0.120 54.766 54.840 0.075 0.000 0.850 505 L CB 0.260 42.229 42.059 -0.149 0.000 0.966 505 L HN 0.183 nan 8.230 nan 0.000 0.454 506 C N -0.961 118.397 119.300 0.096 0.000 2.701 506 C HA 0.372 4.832 4.460 -0.000 0.000 0.336 506 C C 0.727 175.827 174.990 0.184 0.000 1.123 506 C CA -0.564 58.640 59.018 0.311 0.000 1.326 506 C CB 1.040 29.012 27.740 0.388 0.000 1.833 506 C HN 0.313 nan 8.230 nan 0.000 0.473 507 H N 3.962 123.219 119.070 0.312 0.000 2.674 507 H HA 0.097 4.653 4.556 -0.000 0.000 0.274 507 H C 1.136 176.522 175.328 0.096 0.000 1.121 507 H CA 0.038 56.196 56.048 0.183 0.000 1.132 507 H CB 0.734 30.560 29.762 0.106 0.000 1.606 507 H HN 0.602 nan 8.280 nan 0.000 0.558 508 M N 0.410 120.097 119.600 0.145 0.000 2.506 508 M HA -0.005 4.475 4.480 -0.000 0.000 0.260 508 M C 0.276 176.425 176.300 -0.252 0.000 1.104 508 M CA 0.852 56.053 55.300 -0.164 0.000 1.112 508 M CB 0.018 32.384 32.600 -0.390 0.000 1.401 508 M HN 0.110 nan 8.290 nan 0.000 0.473 509 H N 0.104 119.275 119.070 0.169 0.000 2.787 509 H HA 0.322 4.878 4.556 -0.000 0.000 0.275 509 H C 0.930 176.279 175.328 0.035 0.000 1.183 509 H CA 0.586 56.708 56.048 0.123 0.000 1.290 509 H CB 0.015 29.882 29.762 0.176 0.000 1.438 509 H HN 0.293 nan 8.280 nan 0.000 0.487 510 T N -0.721 113.883 114.554 0.083 0.000 2.955 510 T HA 0.150 4.500 4.350 -0.000 0.000 0.251 510 T C 1.302 176.007 174.700 0.008 0.000 1.002 510 T CA -0.029 62.089 62.100 0.030 0.000 0.970 510 T CB 0.452 69.328 68.868 0.013 0.000 1.091 510 T HN 0.430 nan 8.240 nan 0.000 0.495 511 G N 1.626 110.437 108.800 0.019 0.000 2.467 511 G HA2 0.493 4.453 3.960 -0.000 0.000 0.257 511 G HA3 0.493 4.453 3.960 -0.000 0.000 0.257 511 G C -0.345 174.525 174.900 -0.050 0.000 1.227 511 G CA -0.441 44.648 45.100 -0.018 0.000 0.835 511 G HN 0.327 nan 8.290 nan 0.000 0.556 512 V N 1.588 121.458 119.914 -0.073 0.000 2.521 512 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 512 V C 0.404 176.419 176.094 -0.132 0.000 1.034 512 V CA -0.117 62.126 62.300 -0.095 0.000 1.045 512 V CB 1.065 32.836 31.823 -0.087 0.000 0.974 512 V HN 0.425 nan 8.190 nan 0.000 0.480 513 V N 6.146 125.978 119.914 -0.137 0.000 2.581 513 V HA 0.666 4.786 4.120 -0.000 0.000 0.303 513 V C -0.077 175.926 176.094 -0.151 0.000 1.041 513 V CA -0.416 61.777 62.300 -0.178 0.000 0.907 513 V CB 2.010 33.728 31.823 -0.175 0.000 0.994 513 V HN 0.781 nan 8.190 nan 0.000 0.442 514 V N 1.191 121.000 119.914 -0.175 0.000 3.074 514 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 514 V C -0.767 175.361 176.094 0.055 0.000 1.117 514 V CA -0.672 61.585 62.300 -0.072 0.000 1.014 514 V CB 2.171 33.946 31.823 -0.080 0.000 1.057 514 V HN 0.909 nan 8.190 nan 0.000 0.438 515 E N 0.949 121.196 120.200 0.080 0.000 2.256 515 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 515 E C -1.073 175.579 176.600 0.087 0.000 0.877 515 E CA -0.871 55.592 56.400 0.105 0.000 0.757 515 E CB 2.271 32.005 29.700 0.056 0.000 1.183 515 E HN 0.880 nan 8.360 nan 0.000 0.418 523 E N 0.703 120.909 120.200 0.010 0.000 2.356 523 E HA 0.307 4.657 4.350 -0.000 0.000 0.275 523 E C -1.285 175.306 176.600 -0.015 0.000 0.904 523 E CA -1.048 55.349 56.400 -0.004 0.000 0.757 523 E CB 2.310 32.009 29.700 -0.002 0.000 1.232 523 E HN 0.547 nan 8.360 nan 0.000 0.442 524 E N 1.978 122.160 120.200 -0.029 0.000 2.360 524 E HA 0.277 4.627 4.350 -0.000 0.000 0.269 524 E C -0.029 176.546 176.600 -0.041 0.000 1.022 524 E CA -0.028 56.344 56.400 -0.047 0.000 0.887 524 E CB 0.808 30.475 29.700 -0.055 0.000 0.990 524 E HN 0.441 nan 8.360 nan 0.000 0.426 525 I N -1.736 118.803 120.570 -0.051 0.000 3.108 525 I HA 0.432 4.602 4.170 -0.000 0.000 0.312 525 I C -0.202 175.872 176.117 -0.072 0.000 1.095 525 I CA -1.116 60.160 61.300 -0.038 0.000 1.000 525 I CB 2.002 40.004 38.000 0.002 0.000 1.229 525 I HN 0.121 nan 8.210 nan 0.000 0.454 526 T N 3.879 118.395 114.554 -0.063 0.000 2.853 526 T HA 0.237 4.587 4.350 -0.000 0.000 0.298 526 T C -2.315 172.361 174.700 -0.040 0.000 0.978 526 T CA -0.376 61.642 62.100 -0.137 0.000 1.152 526 T CB -0.086 68.683 68.868 -0.166 0.000 0.914 526 T HN 0.455 nan 8.240 nan 0.000 0.539 527 P HA 0.050 nan 4.420 nan 0.000 0.268 527 P C -0.263 177.150 177.300 0.188 0.000 1.208 527 P CA -0.057 63.028 63.100 -0.025 0.000 0.777 527 P CB 0.272 31.955 31.700 -0.028 0.000 0.875 528 H N -0.033 119.051 119.070 0.023 0.000 2.527 528 H HA 0.387 4.943 4.556 -0.000 0.000 0.321 528 H C -0.203 175.049 175.328 -0.128 0.000 1.087 528 H CA -0.824 55.243 56.048 0.031 0.000 1.337 528 H CB 0.748 30.558 29.762 0.081 0.000 1.440 528 H HN 0.433 nan 8.280 nan 0.000 0.490 529 C N 3.233 122.502 119.300 -0.052 0.000 2.396 529 C HA 0.560 5.020 4.460 -0.000 0.000 0.321 529 C C 1.636 176.541 174.990 -0.142 0.000 1.233 529 C CA -0.235 58.672 59.018 -0.185 0.000 1.440 529 C CB -0.406 27.170 27.740 -0.272 0.000 2.110 529 C HN 0.990 nan 8.230 nan 0.000 0.473 530 A N 4.029 126.836 122.820 -0.022 0.000 1.940 530 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 530 A C 1.825 179.253 177.584 -0.260 0.000 1.176 530 A CA 2.108 54.094 52.037 -0.085 0.000 0.631 530 A CB -0.551 18.438 19.000 -0.018 0.000 0.814 530 A HN 1.175 nan 8.150 nan 0.000 0.446 531 L N -0.983 120.011 121.223 -0.381 0.000 1.988 531 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 531 L C 2.334 178.768 176.870 -0.727 0.000 1.071 531 L CA 2.152 56.630 54.840 -0.604 0.000 0.744 531 L CB -0.593 40.918 42.059 -0.914 0.000 0.893 531 L HN 0.286 nan 8.230 nan 0.000 0.433 532 M N -0.263 118.861 119.600 -0.794 0.000 2.108 532 M HA -0.249 4.231 4.480 -0.000 0.000 0.257 532 M C 2.018 177.819 176.300 -0.832 0.000 1.071 532 M CA 1.602 56.350 55.300 -0.918 0.000 1.093 532 M CB -1.774 30.021 32.600 -1.342 0.000 1.345 532 M HN 0.295 nan 8.290 nan 0.000 0.403 533 D N -0.079 119.862 120.400 -0.766 0.000 2.104 533 D HA -0.126 4.513 4.640 -0.000 0.000 0.194 533 D C 2.242 177.693 176.300 -1.416 0.000 0.994 533 D CA 1.248 54.570 54.000 -1.130 0.000 0.830 533 D CB -0.474 39.880 40.800 -0.742 0.000 0.959 533 D HN 0.366 nan 8.370 nan 0.000 0.452 534 C N 0.400 119.235 119.300 -0.775 0.000 2.398 534 C HA -0.137 4.323 4.460 -0.000 0.000 0.276 534 C C 2.859 177.401 174.990 -0.747 0.000 1.222 534 C CA 0.244 58.928 59.018 -0.557 0.000 1.746 534 C CB -1.040 26.582 27.740 -0.196 0.000 2.039 534 C HN 0.340 nan 8.230 nan 0.000 0.470 535 I N 1.532 121.625 120.570 -0.796 0.000 2.179 535 I HA -0.279 3.890 4.170 -0.000 0.000 0.242 535 I C 2.649 178.444 176.117 -0.537 0.000 1.088 535 I CA 2.114 62.971 61.300 -0.738 0.000 1.357 535 I CB -0.482 36.985 38.000 -0.889 0.000 1.051 535 I HN 0.472 nan 8.210 nan 0.000 0.409 536 M N -0.081 119.160 119.600 -0.597 0.000 2.175 536 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 536 M C 2.023 178.170 176.300 -0.256 0.000 1.063 536 M CA 1.893 56.970 55.300 -0.372 0.000 1.119 536 M CB -0.682 31.725 32.600 -0.321 0.000 1.377 536 M HN -0.034 nan 8.290 nan 0.000 0.415 537 F N 1.730 121.402 119.950 -0.464 0.000 2.134 537 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 537 F C 2.194 177.587 175.800 -0.678 0.000 1.097 537 F CA 1.528 59.173 58.000 -0.592 0.000 1.264 537 F CB -1.681 36.852 39.000 -0.778 0.000 1.001 537 F HN 0.325 nan 8.300 nan 0.000 0.479 538 D N -0.008 119.938 120.400 -0.757 0.000 2.117 538 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 538 D C 2.263 178.485 176.300 -0.130 0.000 0.987 538 D CA 1.386 55.187 54.000 -0.332 0.000 0.829 538 D CB -0.211 40.437 40.800 -0.253 0.000 0.961 538 D HN 0.110 nan 8.370 nan 0.000 0.460 539 A N 0.640 123.324 122.820 -0.227 0.000 1.883 539 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 539 A C 2.410 179.808 177.584 -0.311 0.000 1.186 539 A CA 2.551 54.351 52.037 -0.395 0.000 0.624 539 A CB -1.294 17.337 19.000 -0.615 0.000 0.822 539 A HN 0.332 nan 8.150 nan 0.000 0.444 540 A N -0.718 122.107 122.820 0.009 0.000 1.883 540 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 540 A C 2.270 179.947 177.584 0.156 0.000 1.186 540 A CA 2.042 54.228 52.037 0.249 0.000 0.624 540 A CB -1.065 18.083 19.000 0.247 0.000 0.822 540 A HN 0.455 nan 8.150 nan 0.000 0.444 541 V N -0.047 119.944 119.914 0.129 0.000 2.343 541 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 541 V C 2.618 178.773 176.094 0.102 0.000 1.051 541 V CA 2.319 64.712 62.300 0.155 0.000 1.036 541 V CB -0.644 31.347 31.823 0.280 0.000 0.654 541 V HN 0.566 nan 8.190 nan 0.000 0.451 542 S N -0.292 115.442 115.700 0.056 0.000 2.522 542 S HA 0.143 4.612 4.470 -0.000 0.000 0.227 542 S C 1.646 176.251 174.600 0.008 0.000 0.986 542 S CA 0.748 58.961 58.200 0.021 0.000 0.929 542 S CB 0.044 63.235 63.200 -0.015 0.000 0.769 542 S HN 0.948 nan 8.310 nan 0.000 0.529 543 G N 0.990 109.807 108.800 0.028 0.000 2.225 543 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.267 543 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.267 543 G C 0.221 175.141 174.900 0.033 0.000 1.024 543 G CA 0.146 45.303 45.100 0.096 0.000 0.784 543 G HN 1.035 nan 8.290 nan 0.000 0.507 544 G N -1.892 106.772 108.800 -0.227 0.000 2.466 544 G HA2 0.623 4.583 3.960 -0.000 0.000 0.291 544 G HA3 0.623 4.583 3.960 -0.000 0.000 0.291 544 G C -1.751 172.865 174.900 -0.474 0.000 1.460 544 G CA -0.215 44.690 45.100 -0.325 0.000 0.791 544 G HN 1.293 nan 8.290 nan 0.000 0.505 545 L N 1.679 122.687 121.223 -0.359 0.000 2.343 545 L HA 0.528 4.868 4.340 -0.000 0.000 0.278 545 L C -0.038 176.782 176.870 -0.082 0.000 0.996 545 L CA -1.041 53.660 54.840 -0.232 0.000 0.831 545 L CB 1.350 43.281 42.059 -0.213 0.000 1.232 545 L HN 0.734 nan 8.230 nan 0.000 0.413 546 N N 2.023 120.701 118.700 -0.036 0.000 2.503 546 N HA 0.102 4.842 4.740 -0.000 0.000 0.267 546 N C -0.548 174.968 175.510 0.011 0.000 1.214 546 N CA -0.359 52.690 53.050 -0.001 0.000 0.959 546 N CB 0.606 39.104 38.487 0.018 0.000 1.142 546 N HN 0.555 nan 8.380 nan 0.000 0.455 547 T N 0.858 115.410 114.554 -0.003 0.000 2.751 547 T HA 0.226 4.576 4.350 -0.000 0.000 0.290 547 T C -0.157 174.567 174.700 0.039 0.000 0.919 547 T CA 0.082 62.173 62.100 -0.015 0.000 1.136 547 T CB -0.475 68.378 68.868 -0.025 0.000 0.875 547 T HN 0.622 nan 8.240 nan 0.000 0.532 548 S N 3.372 119.126 115.700 0.091 0.000 2.543 548 S HA 0.427 4.897 4.470 -0.000 0.000 0.273 548 S C -0.643 174.099 174.600 0.237 0.000 1.152 548 S CA -0.742 57.550 58.200 0.154 0.000 0.910 548 S CB 1.337 64.635 63.200 0.165 0.000 1.105 548 S HN 0.409 nan 8.310 nan 0.000 0.465 549 V N 5.177 125.199 119.914 0.180 0.000 2.614 549 V HA 0.411 4.531 4.120 -0.000 0.000 0.291 549 V C -0.416 175.800 176.094 0.204 0.000 1.049 549 V CA -0.114 62.304 62.300 0.197 0.000 1.038 549 V CB 1.006 32.913 31.823 0.140 0.000 0.980 549 V HN 0.815 nan 8.190 nan 0.000 0.481 550 L N 6.607 127.962 121.223 0.219 0.000 2.358 550 L HA 0.628 4.968 4.340 -0.000 0.000 0.268 550 L C 0.226 177.260 176.870 0.273 0.000 1.032 550 L CA -0.285 54.695 54.840 0.234 0.000 0.805 550 L CB 1.626 43.755 42.059 0.117 0.000 1.253 550 L HN 0.541 nan 8.230 nan 0.000 0.452 551 R N 1.077 121.715 120.500 0.231 0.000 2.409 551 R HA 0.668 5.008 4.340 -0.000 0.000 0.313 551 R C -0.777 175.373 176.300 -0.248 0.000 0.953 551 R CA -0.769 55.364 56.100 0.055 0.000 0.849 551 R CB 1.495 31.828 30.300 0.055 0.000 1.171 551 R HN 0.701 nan 8.270 nan 0.000 0.458 552 A N 3.146 125.731 122.820 -0.392 0.000 2.444 552 A HA 0.156 4.476 4.320 -0.000 0.000 0.273 552 A C 1.244 178.623 177.584 -0.341 0.000 1.136 552 A CA -0.422 51.178 52.037 -0.728 0.000 0.799 552 A CB 0.436 19.234 19.000 -0.336 0.000 1.081 552 A HN 0.635 nan 8.150 nan 0.000 0.509 553 V N 3.912 123.628 119.914 -0.329 0.000 2.379 553 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 553 V C 1.165 177.211 176.094 -0.079 0.000 1.044 553 V CA 1.186 63.406 62.300 -0.133 0.000 1.036 553 V CB -0.682 31.094 31.823 -0.079 0.000 0.664 553 V HN 0.701 nan 8.190 nan 0.000 0.453 554 L N 1.444 122.627 121.223 -0.068 0.000 2.349 554 L HA 0.297 4.637 4.340 -0.000 0.000 0.275 554 L C -2.249 174.623 176.870 0.003 0.000 1.115 554 L CA -1.731 53.093 54.840 -0.026 0.000 0.820 554 L CB 0.229 42.285 42.059 -0.005 0.000 1.135 554 L HN 0.101 nan 8.230 nan 0.000 0.445 555 P HA 0.053 nan 4.420 nan 0.000 0.264 555 P C 0.353 177.716 177.300 0.105 0.000 1.193 555 P CA -0.099 63.036 63.100 0.058 0.000 0.763 555 P CB 0.551 32.276 31.700 0.043 0.000 0.810 556 R N 2.412 123.005 120.500 0.154 0.000 2.127 556 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 556 R C 0.809 177.270 176.300 0.268 0.000 1.134 556 R CA 1.493 57.739 56.100 0.243 0.000 0.975 556 R CB -0.276 30.166 30.300 0.238 0.000 0.865 556 R HN 0.471 nan 8.270 nan 0.000 0.447 557 D N -0.106 120.415 120.400 0.202 0.000 2.354 557 D HA -0.192 4.448 4.640 -0.000 0.000 0.216 557 D C 1.491 177.859 176.300 0.113 0.000 0.970 557 D CA 1.011 55.120 54.000 0.181 0.000 0.905 557 D CB 0.090 40.999 40.800 0.182 0.000 0.903 557 D HN 0.382 nan 8.370 nan 0.000 0.508 558 M N -0.909 118.745 119.600 0.089 0.000 2.730 558 M HA -0.038 4.442 4.480 -0.000 0.000 0.258 558 M C 1.639 177.941 176.300 0.003 0.000 1.279 558 M CA 0.410 55.718 55.300 0.014 0.000 1.183 558 M CB 0.445 33.025 32.600 -0.033 0.000 1.291 558 M HN -0.213 nan 8.290 nan 0.000 0.518 559 V N 0.875 120.812 119.914 0.038 0.000 2.343 559 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 559 V C 0.579 176.531 176.094 -0.237 0.000 1.051 559 V CA 1.372 63.627 62.300 -0.074 0.000 1.036 559 V CB -0.618 31.204 31.823 -0.002 0.000 0.654 559 V HN 0.252 nan 8.190 nan 0.000 0.451 560 F N 0.027 120.043 119.950 0.111 0.000 2.458 560 F HA 0.615 5.142 4.527 -0.000 0.000 0.330 560 F C 0.657 176.496 175.800 0.065 0.000 1.082 560 F CA -0.986 57.070 58.000 0.093 0.000 0.995 560 F CB 1.081 40.135 39.000 0.089 0.000 1.170 560 F HN 0.032 nan 8.300 nan 0.000 0.478 561 R N 0.000 120.630 120.500 0.217 0.000 2.786 561 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 561 R CA 0.000 56.184 56.100 0.140 0.000 0.921 561 R CB 0.000 30.349 30.300 0.082 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535