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 2vte_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVcVV NADDALTMPI RXXXERcVSF GVNMGDYHLN HQXXETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELGSH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.326 177.584 -0.431 0.000 1.274 1 A CA 0.000 51.888 52.037 -0.249 0.000 0.836 1 A CB 0.000 18.831 19.000 -0.282 0.000 0.831 2 D N -0.035 120.085 120.400 -0.466 0.000 2.425 2 D HA 0.577 5.041 4.640 -0.294 0.000 0.240 2 D C -0.705 175.348 176.300 -0.411 0.000 1.080 2 D CA 0.075 53.851 54.000 -0.373 0.000 0.836 2 D CB 0.831 41.534 40.800 -0.162 0.000 1.125 2 D HN 0.395 nan 8.370 nan 0.000 0.525 3 Y N 0.862 121.226 120.300 0.106 0.000 2.458 3 Y HA 0.138 4.725 4.550 0.062 0.000 0.256 3 Y C 1.204 177.158 175.900 0.089 0.000 1.159 3 Y CA -0.296 57.893 58.100 0.147 0.000 1.261 3 Y CB 0.101 38.754 38.460 0.322 0.000 1.119 3 Y HN 0.189 nan 8.280 nan 0.000 0.524 4 Q N 1.000 120.878 119.800 0.129 0.000 2.320 4 Q HA 0.008 4.171 4.340 -0.294 0.000 0.311 4 Q C 1.367 177.402 176.000 0.058 0.000 1.083 4 Q CA 1.469 57.317 55.803 0.076 0.000 1.001 4 Q CB 0.339 29.095 28.738 0.029 0.000 1.074 4 Q HN 0.782 nan 8.270 nan 0.000 0.379 5 G N 2.765 111.593 108.800 0.047 0.000 2.175 5 G HA2 -0.263 3.521 3.960 -0.294 0.000 0.265 5 G HA3 -0.263 3.521 3.960 -0.294 0.000 0.265 5 G C 0.081 174.991 174.900 0.016 0.000 0.979 5 G CA 0.321 45.434 45.100 0.022 0.000 0.663 5 G HN 0.413 nan 8.290 nan 0.000 0.533 6 K N 0.377 120.800 120.400 0.039 0.000 2.185 6 K HA 0.208 4.351 4.320 -0.294 0.000 0.271 6 K C 0.270 176.847 176.600 -0.039 0.000 1.013 6 K CA -0.772 55.527 56.287 0.020 0.000 0.943 6 K CB 0.568 33.114 32.500 0.078 0.000 0.998 6 K HN 0.352 nan 8.250 nan 0.000 0.468 7 N N 1.167 119.831 118.700 -0.061 0.000 2.402 7 N HA 0.095 4.659 4.740 -0.294 0.000 0.252 7 N C -1.093 174.325 175.510 -0.153 0.000 1.118 7 N CA -0.296 52.687 53.050 -0.113 0.000 0.945 7 N CB 0.420 38.848 38.487 -0.099 0.000 1.147 7 N HN 0.106 nan 8.380 nan 0.000 0.495 8 V N 3.894 123.668 119.914 -0.234 0.000 2.398 8 V HA 0.351 4.294 4.120 -0.294 0.000 0.286 8 V C -0.004 175.911 176.094 -0.297 0.000 1.026 8 V CA -0.774 61.320 62.300 -0.342 0.000 0.868 8 V CB 1.488 32.897 31.823 -0.690 0.000 0.982 8 V HN 0.256 nan 8.190 nan 0.000 0.443 9 V N 6.338 126.121 119.914 -0.218 0.000 2.448 9 V HA 0.508 4.452 4.120 -0.294 0.000 0.295 9 V C -0.211 175.820 176.094 -0.105 0.000 1.025 9 V CA -0.438 61.786 62.300 -0.126 0.000 0.859 9 V CB 1.799 33.603 31.823 -0.032 0.000 0.988 9 V HN 0.695 nan 8.190 nan 0.000 0.431 10 I N 5.657 126.190 120.570 -0.062 0.000 2.321 10 I HA 0.437 4.431 4.170 -0.294 0.000 0.291 10 I C -0.319 175.813 176.117 0.024 0.000 0.998 10 I CA -0.203 61.090 61.300 -0.012 0.000 1.227 10 I CB 1.391 39.404 38.000 0.021 0.000 1.368 10 I HN 0.430 nan 8.210 nan 0.000 0.466 11 I N 6.148 126.723 120.570 0.009 0.000 2.312 11 I HA 0.541 4.535 4.170 -0.294 0.000 0.290 11 I C 0.475 176.595 176.117 0.006 0.000 1.008 11 I CA -0.320 60.982 61.300 0.003 0.000 1.226 11 I CB 1.079 39.058 38.000 -0.034 0.000 1.371 11 I HN 0.816 nan 8.210 nan 0.000 0.468 12 G N 5.768 114.578 108.800 0.018 0.000 3.338 12 G HA2 -0.107 3.676 3.960 -0.294 0.000 0.686 12 G HA3 -0.107 3.676 3.960 -0.294 0.000 0.686 12 G C -0.655 174.265 174.900 0.033 0.000 1.053 12 G CA -0.877 44.234 45.100 0.019 0.000 0.852 12 G HN 0.482 nan 8.290 nan 0.000 0.545 13 L N 2.454 123.699 121.223 0.037 0.000 2.718 13 L HA 0.807 4.970 4.340 -0.294 0.000 0.147 13 L C 1.963 178.855 176.870 0.037 0.000 1.748 13 L CA 0.392 55.257 54.840 0.042 0.000 2.748 13 L CB -0.450 41.634 42.059 0.042 0.000 2.984 13 L HN 2.235 nan 8.230 nan 0.000 0.700 14 G N -0.768 108.053 108.800 0.036 0.000 2.660 14 G HA2 -0.244 3.540 3.960 -0.294 0.000 0.215 14 G HA3 -0.244 3.540 3.960 -0.294 0.000 0.215 14 G C -0.031 174.889 174.900 0.034 0.000 1.345 14 G CA -0.072 45.048 45.100 0.034 0.000 0.877 14 G HN 0.413 nan 8.290 nan 0.000 0.549 15 L N 0.367 121.609 121.223 0.031 0.000 2.046 15 L HA 0.064 4.227 4.340 -0.294 0.000 0.208 15 L C 3.054 179.942 176.870 0.030 0.000 1.077 15 L CA 3.516 58.374 54.840 0.030 0.000 0.747 15 L CB -1.280 40.794 42.059 0.025 0.000 0.896 15 L HN 0.822 nan 8.230 nan 0.000 0.432 16 T N -0.971 113.600 114.554 0.027 0.000 2.698 16 T HA -0.049 4.124 4.350 -0.294 0.000 0.260 16 T C 1.695 176.414 174.700 0.031 0.000 1.044 16 T CA 1.132 63.244 62.100 0.020 0.000 1.149 16 T CB -0.793 68.085 68.868 0.016 0.000 0.864 16 T HN 0.510 nan 8.240 nan 0.000 0.419 17 G N 1.374 110.198 108.800 0.039 0.000 2.469 17 G HA2 -0.184 3.599 3.960 -0.294 0.000 0.220 17 G HA3 -0.184 3.599 3.960 -0.294 0.000 0.220 17 G C 1.515 176.456 174.900 0.068 0.000 1.136 17 G CA 0.682 45.814 45.100 0.054 0.000 0.759 17 G HN 0.426 nan 8.290 nan 0.000 0.562 18 L N 1.365 122.623 121.223 0.058 0.000 2.083 18 L HA -0.100 4.064 4.340 -0.294 0.000 0.209 18 L C 3.311 180.225 176.870 0.074 0.000 1.083 18 L CA 1.548 56.426 54.840 0.064 0.000 0.752 18 L CB -0.286 41.803 42.059 0.051 0.000 0.899 18 L HN 0.437 nan 8.230 nan 0.000 0.433 19 S N -1.724 114.013 115.700 0.062 0.000 2.406 19 S HA -0.170 4.123 4.470 -0.294 0.000 0.228 19 S C 2.058 176.713 174.600 0.090 0.000 1.020 19 S CA 0.970 59.210 58.200 0.067 0.000 0.965 19 S CB -0.931 62.293 63.200 0.039 0.000 0.798 19 S HN 0.436 nan 8.310 nan 0.000 0.488 20 C N 1.249 120.602 119.300 0.087 0.000 2.446 20 C HA 0.092 4.376 4.460 -0.294 0.000 0.277 20 C C 2.762 177.930 174.990 0.296 0.000 1.275 20 C CA 0.439 59.541 59.018 0.141 0.000 1.727 20 C CB -1.389 26.450 27.740 0.165 0.000 2.010 20 C HN 0.516 nan 8.230 nan 0.000 0.486 21 V N 1.656 121.705 119.914 0.225 0.000 2.231 21 V HA -0.264 3.680 4.120 -0.294 0.000 0.248 21 V C 2.185 178.396 176.094 0.194 0.000 1.054 21 V CA 2.404 64.835 62.300 0.218 0.000 1.015 21 V CB -0.778 31.123 31.823 0.130 0.000 0.638 21 V HN 0.486 nan 8.190 nan 0.000 0.444 22 D N -0.664 119.819 120.400 0.137 0.000 2.158 22 D HA -0.228 4.235 4.640 -0.294 0.000 0.197 22 D C 1.885 178.236 176.300 0.085 0.000 0.995 22 D CA 1.651 55.709 54.000 0.098 0.000 0.846 22 D CB -0.318 40.531 40.800 0.082 0.000 0.941 22 D HN 0.534 nan 8.370 nan 0.000 0.456 23 F N 0.226 120.131 119.950 -0.075 0.000 2.146 23 F HA -0.157 4.180 4.527 -0.315 0.000 0.298 23 F C 1.970 177.595 175.800 -0.293 0.000 1.096 23 F CA 1.173 59.033 58.000 -0.234 0.000 1.275 23 F CB -0.207 38.552 39.000 -0.401 0.000 1.008 23 F HN -0.196 nan 8.300 nan 0.000 0.480 24 F N 0.355 120.369 119.950 0.106 0.000 2.149 24 F HA -0.073 4.246 4.527 -0.347 0.000 0.294 24 F C 2.198 177.966 175.800 -0.054 0.000 1.095 24 F CA 1.134 59.133 58.000 -0.002 0.000 1.276 24 F CB -0.983 38.042 39.000 0.041 0.000 1.023 24 F HN -0.104 nan 8.300 nan 0.000 0.480 25 L N -0.119 121.187 121.223 0.139 0.000 1.990 25 L HA -0.281 3.883 4.340 -0.294 0.000 0.213 25 L C 2.687 179.556 176.870 -0.002 0.000 1.072 25 L CA 1.476 56.353 54.840 0.063 0.000 0.755 25 L CB -1.175 40.918 42.059 0.057 0.000 0.889 25 L HN 0.155 nan 8.230 nan 0.000 0.432 26 A N -0.346 122.444 122.820 -0.049 0.000 2.131 26 A HA -0.195 3.949 4.320 -0.294 0.000 0.220 26 A C 2.159 179.669 177.584 -0.124 0.000 1.158 26 A CA 1.469 53.455 52.037 -0.086 0.000 0.665 26 A CB -0.493 18.442 19.000 -0.109 0.000 0.795 26 A HN 0.391 nan 8.150 nan 0.000 0.460 27 R N -1.700 118.712 120.500 -0.148 0.000 2.427 27 R HA 0.293 4.456 4.340 -0.294 0.000 0.262 27 R C 0.985 177.272 176.300 -0.020 0.000 0.943 27 R CA 0.544 56.569 56.100 -0.126 0.000 1.081 27 R CB 0.176 30.345 30.300 -0.218 0.000 1.166 27 R HN 0.601 nan 8.270 nan 0.000 0.534 28 G N 0.663 109.462 108.800 -0.002 0.000 2.198 28 G HA2 -0.228 3.556 3.960 -0.294 0.000 0.257 28 G HA3 -0.228 3.556 3.960 -0.294 0.000 0.257 28 G C -0.273 174.656 174.900 0.049 0.000 1.042 28 G CA 0.121 45.233 45.100 0.020 0.000 0.791 28 G HN 0.152 nan 8.290 nan 0.000 0.502 29 V N 0.479 120.444 119.914 0.085 0.000 2.577 29 V HA 0.606 4.550 4.120 -0.294 0.000 0.303 29 V C 0.276 176.416 176.094 0.077 0.000 1.042 29 V CA -0.326 62.033 62.300 0.098 0.000 0.872 29 V CB 2.114 34.056 31.823 0.197 0.000 0.998 29 V HN 0.343 nan 8.190 nan 0.000 0.423 30 T N 7.213 121.774 114.554 0.011 0.000 2.738 30 T HA 0.457 4.630 4.350 -0.294 0.000 0.298 30 T C -2.191 172.459 174.700 -0.084 0.000 0.962 30 T CA -0.866 61.224 62.100 -0.016 0.000 0.972 30 T CB 1.345 70.193 68.868 -0.034 0.000 0.928 30 T HN 0.535 nan 8.240 nan 0.000 0.474 31 P HA 0.518 nan 4.420 nan 0.000 0.284 31 P C -0.609 176.587 177.300 -0.173 0.000 1.292 31 P CA -0.998 61.984 63.100 -0.196 0.000 0.800 31 P CB 1.423 32.986 31.700 -0.228 0.000 1.188 32 R N -0.720 119.650 120.500 -0.217 0.000 2.740 32 R HA 0.661 4.824 4.340 -0.294 0.000 0.282 32 R C -0.919 175.370 176.300 -0.020 0.000 0.969 32 R CA -1.068 54.901 56.100 -0.218 0.000 0.918 32 R CB 2.037 31.945 30.300 -0.653 0.000 1.175 32 R HN 0.206 nan 8.270 nan 0.000 0.464 33 V N 3.717 123.711 119.914 0.134 0.000 2.581 33 V HA 0.573 4.517 4.120 -0.294 0.000 0.303 33 V C -0.017 176.257 176.094 0.299 0.000 1.041 33 V CA -0.759 61.645 62.300 0.173 0.000 0.907 33 V CB 1.781 33.680 31.823 0.127 0.000 0.994 33 V HN 0.776 nan 8.190 nan 0.000 0.442 34 M N 2.058 121.777 119.600 0.200 0.000 2.550 34 M HA 0.799 5.102 4.480 -0.294 0.000 0.292 34 M C -1.956 174.395 176.300 0.084 0.000 1.221 34 M CA -0.493 54.906 55.300 0.165 0.000 0.873 34 M CB 2.853 35.529 32.600 0.126 0.000 1.727 34 M HN 0.549 nan 8.290 nan 0.000 0.459 35 D N 1.084 121.526 120.400 0.070 0.000 2.947 35 D HA 0.246 4.710 4.640 -0.294 0.000 0.224 35 D C 0.204 176.518 176.300 0.023 0.000 1.230 35 D CA -0.021 53.998 54.000 0.032 0.000 0.871 35 D CB 2.679 43.497 40.800 0.030 0.000 1.671 35 D HN 0.880 nan 8.370 nan 0.000 0.507 36 T N 0.182 114.743 114.554 0.012 0.000 3.118 36 T HA 0.130 4.303 4.350 -0.294 0.000 0.260 36 T C 0.883 175.588 174.700 0.007 0.000 1.139 36 T CA 0.317 62.427 62.100 0.017 0.000 1.085 36 T CB 0.111 68.997 68.868 0.030 0.000 0.934 36 T HN 0.152 nan 8.240 nan 0.000 0.518 37 R N 0.168 120.670 120.500 0.003 0.000 2.312 37 R HA 0.514 4.678 4.340 -0.294 0.000 0.311 37 R C 0.971 177.262 176.300 -0.015 0.000 1.004 37 R CA -0.683 55.416 56.100 -0.002 0.000 0.902 37 R CB 0.872 31.176 30.300 0.006 0.000 1.073 37 R HN 0.001 nan 8.270 nan 0.000 0.457 38 M N 1.188 120.774 119.600 -0.023 0.000 2.080 38 M HA -0.132 4.171 4.480 -0.294 0.000 0.260 38 M C 0.885 177.167 176.300 -0.029 0.000 1.068 38 M CA 1.887 57.164 55.300 -0.038 0.000 1.109 38 M CB 0.203 32.782 32.600 -0.036 0.000 1.342 38 M HN 0.491 nan 8.290 nan 0.000 0.405 39 T N 2.696 117.241 114.554 -0.015 0.000 3.150 39 T HA 0.405 4.579 4.350 -0.294 0.000 0.383 39 T C -2.645 172.057 174.700 0.003 0.000 1.313 39 T CA -1.940 60.156 62.100 -0.007 0.000 1.235 39 T CB 0.349 69.213 68.868 -0.007 0.000 1.088 39 T HN 0.122 nan 8.240 nan 0.000 0.556 40 P HA 0.337 nan 4.420 nan 0.000 0.274 40 P C -2.189 175.122 177.300 0.019 0.000 1.237 40 P CA -1.356 61.753 63.100 0.016 0.000 0.793 40 P CB 0.781 32.493 31.700 0.020 0.000 0.977 41 P HA -0.017 nan 4.420 nan 0.000 0.223 41 P C 1.126 178.440 177.300 0.024 0.000 1.151 41 P CA 1.486 64.600 63.100 0.023 0.000 0.787 41 P CB -0.152 31.565 31.700 0.027 0.000 0.788 42 G N -1.061 107.755 108.800 0.027 0.000 3.899 42 G HA2 0.109 3.893 3.960 -0.294 0.000 0.293 42 G HA3 0.109 3.893 3.960 -0.294 0.000 0.293 42 G C 0.966 175.883 174.900 0.029 0.000 1.054 42 G CA -0.228 44.889 45.100 0.028 0.000 0.846 42 G HN 0.160 nan 8.290 nan 0.000 0.525 43 L N -0.386 120.853 121.223 0.026 0.000 2.017 43 L HA -0.039 4.125 4.340 -0.294 0.000 0.208 43 L C 1.688 178.574 176.870 0.026 0.000 1.073 43 L CA 1.365 56.221 54.840 0.027 0.000 0.745 43 L CB 0.145 42.216 42.059 0.020 0.000 0.894 43 L HN 0.123 nan 8.230 nan 0.000 0.432 44 D N -0.409 120.004 120.400 0.021 0.000 2.363 44 D HA -0.088 4.375 4.640 -0.294 0.000 0.226 44 D C 1.568 177.881 176.300 0.021 0.000 1.020 44 D CA 0.650 54.662 54.000 0.019 0.000 0.892 44 D CB 0.218 41.027 40.800 0.015 0.000 0.900 44 D HN 0.366 nan 8.370 nan 0.000 0.531 45 K N -0.014 120.401 120.400 0.025 0.000 2.393 45 K HA 0.100 4.243 4.320 -0.294 0.000 0.193 45 K C 0.583 177.201 176.600 0.031 0.000 1.026 45 K CA -0.255 56.048 56.287 0.026 0.000 1.064 45 K CB 0.661 33.176 32.500 0.026 0.000 0.833 45 K HN -0.010 nan 8.250 nan 0.000 0.521 46 L N 1.967 123.211 121.223 0.034 0.000 2.326 46 L HA 0.297 4.461 4.340 -0.294 0.000 0.278 46 L C -2.423 174.469 176.870 0.037 0.000 1.092 46 L CA -2.048 52.816 54.840 0.040 0.000 0.810 46 L CB 0.346 42.433 42.059 0.046 0.000 1.153 46 L HN -0.125 nan 8.230 nan 0.000 0.439 47 P HA 0.058 nan 4.420 nan 0.000 0.267 47 P C -0.092 177.227 177.300 0.031 0.000 1.201 47 P CA 0.016 63.135 63.100 0.032 0.000 0.775 47 P CB 0.493 32.213 31.700 0.033 0.000 0.854 48 E N 1.015 121.231 120.200 0.026 0.000 2.152 48 E HA -0.084 4.089 4.350 -0.294 0.000 0.192 48 E C 1.517 178.132 176.600 0.025 0.000 0.983 48 E CA 1.007 57.422 56.400 0.025 0.000 0.818 48 E CB -0.171 29.542 29.700 0.021 0.000 0.758 48 E HN 0.480 nan 8.360 nan 0.000 0.467 49 A N 1.025 123.856 122.820 0.019 0.000 2.238 49 A HA 0.086 4.230 4.320 -0.294 0.000 0.208 49 A C 0.753 178.341 177.584 0.006 0.000 1.177 49 A CA 0.009 52.053 52.037 0.012 0.000 0.804 49 A CB 0.264 19.269 19.000 0.008 0.000 0.823 49 A HN -0.018 nan 8.150 nan 0.000 0.482 50 V N 1.890 121.814 119.914 0.016 0.000 2.385 50 V HA 0.110 4.053 4.120 -0.294 0.000 0.269 50 V C 0.028 176.140 176.094 0.030 0.000 1.043 50 V CA -0.681 61.626 62.300 0.011 0.000 0.906 50 V CB 0.677 32.517 31.823 0.028 0.000 0.995 50 V HN 0.500 nan 8.190 nan 0.000 0.467 51 E N 5.640 125.839 120.200 -0.002 0.000 2.414 51 E HA 0.256 4.429 4.350 -0.294 0.000 0.263 51 E C 0.089 176.816 176.600 0.211 0.000 1.000 51 E CA -0.197 56.247 56.400 0.074 0.000 0.914 51 E CB 0.614 30.284 29.700 -0.049 0.000 0.948 51 E HN 0.593 nan 8.360 nan 0.000 0.444 52 R N 2.655 123.359 120.500 0.340 0.000 2.744 52 R HA 0.427 4.590 4.340 -0.294 0.000 0.279 52 R C -1.708 174.802 176.300 0.350 0.000 0.977 52 R CA -0.897 55.423 56.100 0.367 0.000 0.906 52 R CB 1.084 31.491 30.300 0.180 0.000 1.197 52 R HN 0.695 nan 8.270 nan 0.000 0.463 53 H N 0.895 120.027 119.070 0.103 0.000 2.658 53 H HA 0.516 4.896 4.556 -0.294 0.000 0.337 53 H C -1.045 174.221 175.328 -0.104 0.000 1.009 53 H CA -0.125 55.809 56.048 -0.190 0.000 1.231 53 H CB 1.497 30.846 29.762 -0.689 0.000 1.508 53 H HN 0.920 nan 8.280 nan 0.000 0.517 54 T N 1.251 115.609 114.554 -0.326 0.000 2.907 54 T HA 0.553 4.726 4.350 -0.294 0.000 0.290 54 T C 0.970 175.522 174.700 -0.247 0.000 1.066 54 T CA -0.413 61.578 62.100 -0.182 0.000 1.012 54 T CB 1.644 70.457 68.868 -0.091 0.000 1.184 54 T HN 0.992 nan 8.240 nan 0.000 0.522 55 G N 0.310 109.046 108.800 -0.107 0.000 2.217 55 G HA2 0.021 3.805 3.960 -0.294 0.000 0.246 55 G HA3 0.021 3.805 3.960 -0.294 0.000 0.246 55 G C 0.202 175.080 174.900 -0.036 0.000 0.990 55 G CA 0.522 45.572 45.100 -0.084 0.000 0.627 55 G HN 2.195 nan 8.290 nan 0.000 0.522 56 S N -1.436 114.269 115.700 0.008 0.000 2.645 56 S HA 0.610 4.904 4.470 -0.294 0.000 0.268 56 S C -0.692 173.976 174.600 0.113 0.000 1.110 56 S CA -0.852 57.391 58.200 0.071 0.000 0.823 56 S CB 1.137 64.389 63.200 0.088 0.000 1.091 56 S HN 0.895 nan 8.310 nan 0.000 0.466 57 L N 2.062 123.298 121.223 0.021 0.000 2.397 57 L HA 0.433 4.596 4.340 -0.294 0.000 0.271 57 L C 0.266 177.003 176.870 -0.220 0.000 1.148 57 L CA -0.601 54.183 54.840 -0.094 0.000 0.825 57 L CB 0.365 42.320 42.059 -0.173 0.000 1.117 57 L HN 0.738 nan 8.230 nan 0.000 0.456 58 N N 2.061 120.477 118.700 -0.474 0.000 2.485 58 N HA 0.064 4.627 4.740 -0.294 0.000 0.243 58 N C 0.196 175.517 175.510 -0.315 0.000 0.987 58 N CA -0.264 52.361 53.050 -0.707 0.000 0.940 58 N CB 1.093 38.642 38.487 -1.562 0.000 1.122 58 N HN 0.487 nan 8.380 nan 0.000 0.509 59 D N 2.627 122.910 120.400 -0.196 0.000 2.183 59 D HA -0.108 4.355 4.640 -0.294 0.000 0.203 59 D C 0.990 177.272 176.300 -0.030 0.000 0.969 59 D CA 0.986 54.938 54.000 -0.080 0.000 0.842 59 D CB 0.546 41.318 40.800 -0.047 0.000 0.957 59 D HN 0.684 nan 8.370 nan 0.000 0.484 60 E N 0.234 120.409 120.200 -0.042 0.000 2.033 60 E HA -0.193 3.981 4.350 -0.294 0.000 0.199 60 E C 2.109 178.818 176.600 0.182 0.000 1.011 60 E CA 0.994 57.423 56.400 0.049 0.000 0.815 60 E CB -0.129 29.596 29.700 0.042 0.000 0.755 60 E HN 0.313 nan 8.360 nan 0.000 0.451 61 W N 1.057 122.293 121.300 -0.107 0.000 2.317 61 W HA -0.160 4.328 4.660 -0.287 0.000 0.318 61 W C 2.192 178.657 176.519 -0.089 0.000 1.227 61 W CA 0.693 57.978 57.345 -0.100 0.000 1.269 61 W CB -1.213 28.170 29.460 -0.128 0.000 1.155 61 W HN 0.117 nan 8.180 nan 0.000 0.484 62 L N -0.645 120.659 121.223 0.136 0.000 2.043 62 L HA -0.274 3.889 4.340 -0.294 0.000 0.212 62 L C 2.347 179.236 176.870 0.032 0.000 1.075 62 L CA 1.220 56.089 54.840 0.050 0.000 0.752 62 L CB -0.777 41.283 42.059 0.001 0.000 0.891 62 L HN -0.019 nan 8.230 nan 0.000 0.432 63 M N -1.250 118.372 119.600 0.036 0.000 2.447 63 M HA 0.027 4.330 4.480 -0.294 0.000 0.264 63 M C 2.287 178.599 176.300 0.021 0.000 1.095 63 M CA 0.969 56.283 55.300 0.022 0.000 1.125 63 M CB -0.863 31.747 32.600 0.018 0.000 1.389 63 M HN 0.203 nan 8.290 nan 0.000 0.459 64 A N 0.432 123.269 122.820 0.029 0.000 2.119 64 A HA 0.384 4.527 4.320 -0.294 0.000 0.216 64 A C 1.321 178.896 177.584 -0.015 0.000 1.152 64 A CA 0.602 52.644 52.037 0.009 0.000 0.708 64 A CB -0.458 18.549 19.000 0.012 0.000 0.805 64 A HN 0.369 nan 8.150 nan 0.000 0.460 65 A N 0.106 122.917 122.820 -0.015 0.000 2.407 65 A HA 0.373 4.517 4.320 -0.294 0.000 0.248 65 A C 0.498 178.065 177.584 -0.027 0.000 1.082 65 A CA 0.096 52.109 52.037 -0.039 0.000 0.785 65 A CB 0.260 19.236 19.000 -0.040 0.000 1.020 65 A HN 0.360 nan 8.150 nan 0.000 0.489 66 D N -0.340 120.039 120.400 -0.034 0.000 2.301 66 D HA 0.121 4.585 4.640 -0.294 0.000 0.206 66 D C -0.242 176.059 176.300 0.002 0.000 0.979 66 D CA 0.903 54.898 54.000 -0.009 0.000 0.874 66 D CB 0.295 41.096 40.800 0.001 0.000 0.968 66 D HN 0.299 nan 8.370 nan 0.000 0.510 67 L N 0.801 122.007 121.223 -0.028 0.000 2.493 67 L HA 0.408 4.572 4.340 -0.294 0.000 0.265 67 L C -1.693 175.133 176.870 -0.073 0.000 0.954 67 L CA -0.531 54.294 54.840 -0.024 0.000 0.844 67 L CB 2.350 44.404 42.059 -0.008 0.000 1.302 67 L HN -0.243 nan 8.230 nan 0.000 0.405 68 I N 5.201 125.746 120.570 -0.041 0.000 2.378 68 I HA 0.486 4.480 4.170 -0.294 0.000 0.291 68 I C -0.744 175.353 176.117 -0.034 0.000 0.992 68 I CA -0.896 60.376 61.300 -0.047 0.000 1.154 68 I CB 1.941 39.925 38.000 -0.027 0.000 1.315 68 I HN 0.256 nan 8.210 nan 0.000 0.448 69 V N 6.135 126.023 119.914 -0.043 0.000 2.313 69 V HA 0.527 4.470 4.120 -0.294 0.000 0.278 69 V C 0.328 176.421 176.094 -0.002 0.000 1.017 69 V CA -0.550 61.747 62.300 -0.005 0.000 0.823 69 V CB 1.132 32.977 31.823 0.038 0.000 1.010 69 V HN 0.802 nan 8.190 nan 0.000 0.443 70 A N 3.717 126.535 122.820 -0.003 0.000 2.260 70 A HA 0.646 4.789 4.320 -0.294 0.000 0.314 70 A C 0.494 178.075 177.584 -0.006 0.000 1.257 70 A CA -0.241 51.788 52.037 -0.013 0.000 0.871 70 A CB 0.917 19.904 19.000 -0.022 0.000 1.166 70 A HN 0.816 nan 8.150 nan 0.000 0.522 71 S N 3.511 119.207 115.700 -0.006 0.000 2.554 71 S HA 0.095 4.389 4.470 -0.294 0.000 0.290 71 S C -0.815 173.783 174.600 -0.003 0.000 1.309 71 S CA -0.267 57.934 58.200 0.002 0.000 1.047 71 S CB 0.368 63.569 63.200 0.001 0.000 0.828 71 S HN 0.587 nan 8.310 nan 0.000 0.509 72 P HA 0.020 nan 4.420 nan 0.000 0.228 72 P C 1.147 178.411 177.300 -0.061 0.000 1.151 72 P CA 1.112 64.251 63.100 0.065 0.000 0.770 72 P CB -0.429 31.379 31.700 0.181 0.000 0.786 73 G N -0.549 108.215 108.800 -0.060 0.000 2.777 73 G HA2 0.037 3.820 3.960 -0.294 0.000 0.211 73 G HA3 0.037 3.820 3.960 -0.294 0.000 0.211 73 G C 0.525 175.317 174.900 -0.180 0.000 1.149 73 G CA -0.094 44.936 45.100 -0.117 0.000 0.785 73 G HN 0.319 nan 8.290 nan 0.000 0.536 74 I N 1.232 121.710 120.570 -0.153 0.000 2.392 74 I HA 0.647 4.640 4.170 -0.294 0.000 0.295 74 I C 0.318 176.328 176.117 -0.178 0.000 0.985 74 I CA -1.022 60.197 61.300 -0.135 0.000 1.221 74 I CB 1.632 39.575 38.000 -0.095 0.000 1.366 74 I HN 0.039 nan 8.210 nan 0.000 0.467 75 A N 7.242 129.971 122.820 -0.152 0.000 2.450 75 A HA 0.268 4.411 4.320 -0.294 0.000 0.255 75 A C 0.989 178.543 177.584 -0.050 0.000 1.096 75 A CA -0.294 51.649 52.037 -0.157 0.000 0.778 75 A CB 0.265 19.178 19.000 -0.145 0.000 1.031 75 A HN 0.978 nan 8.150 nan 0.000 0.494 76 L N 1.957 123.150 121.223 -0.049 0.000 2.261 76 L HA -0.235 3.929 4.340 -0.294 0.000 0.216 76 L C 2.487 179.373 176.870 0.027 0.000 1.114 76 L CA 1.482 56.321 54.840 -0.002 0.000 0.777 76 L CB -0.217 41.850 42.059 0.013 0.000 0.910 76 L HN 0.864 nan 8.230 nan 0.000 0.440 77 A N -2.164 120.670 122.820 0.024 0.000 2.251 77 A HA -0.068 4.075 4.320 -0.294 0.000 0.209 77 A C 0.854 178.474 177.584 0.060 0.000 1.187 77 A CA -0.165 51.896 52.037 0.041 0.000 0.823 77 A CB -0.583 18.439 19.000 0.037 0.000 0.846 77 A HN 0.333 nan 8.150 nan 0.000 0.486 78 H N 1.039 120.087 119.070 -0.037 0.000 2.964 78 H HA 0.105 4.486 4.556 -0.293 0.000 0.328 78 H C -1.764 173.552 175.328 -0.021 0.000 1.030 78 H CA -1.577 54.450 56.048 -0.035 0.000 1.445 78 H CB 1.065 30.799 29.762 -0.047 0.000 1.449 78 H HN 0.019 nan 8.280 nan 0.000 0.581 79 P HA -0.178 nan 4.420 nan 0.000 0.216 79 P C 1.563 178.976 177.300 0.189 0.000 1.154 79 P CA 1.830 64.992 63.100 0.103 0.000 0.865 79 P CB 0.243 31.937 31.700 -0.010 0.000 0.789 80 S N -0.980 114.925 115.700 0.342 0.000 2.368 80 S HA -0.086 4.207 4.470 -0.294 0.000 0.225 80 S C 1.876 176.497 174.600 0.034 0.000 1.030 80 S CA 0.998 59.261 58.200 0.105 0.000 0.999 80 S CB -0.968 62.224 63.200 -0.014 0.000 0.844 80 S HN 0.119 nan 8.310 nan 0.000 0.459 81 L N 0.682 121.924 121.223 0.031 0.000 2.044 81 L HA -0.062 4.102 4.340 -0.294 0.000 0.205 81 L C 2.744 179.631 176.870 0.029 0.000 1.075 81 L CA 1.144 55.987 54.840 0.004 0.000 0.747 81 L CB -0.731 41.323 42.059 -0.009 0.000 0.903 81 L HN 0.332 nan 8.230 nan 0.000 0.435 82 S N -0.094 115.639 115.700 0.055 0.000 2.374 82 S HA -0.245 4.049 4.470 -0.294 0.000 0.227 82 S C 2.111 176.730 174.600 0.032 0.000 1.037 82 S CA 1.449 59.674 58.200 0.042 0.000 1.024 82 S CB -0.110 63.120 63.200 0.048 0.000 0.861 82 S HN 0.451 nan 8.310 nan 0.000 0.456 83 A N 1.004 123.845 122.820 0.035 0.000 1.902 83 A HA 0.167 4.310 4.320 -0.294 0.000 0.217 83 A C 2.420 180.014 177.584 0.018 0.000 1.181 83 A CA 1.921 53.973 52.037 0.025 0.000 0.623 83 A CB -1.234 17.782 19.000 0.026 0.000 0.818 83 A HN 0.762 nan 8.150 nan 0.000 0.443 84 A N -0.502 122.326 122.820 0.015 0.000 1.970 84 A HA 0.325 4.468 4.320 -0.294 0.000 0.216 84 A C 2.446 180.036 177.584 0.011 0.000 1.170 84 A CA 1.625 53.668 52.037 0.009 0.000 0.645 84 A CB -0.826 18.175 19.000 0.002 0.000 0.816 84 A HN 0.920 nan 8.150 nan 0.000 0.447 85 A N 0.457 123.285 122.820 0.013 0.000 1.855 85 A HA -0.182 3.961 4.320 -0.294 0.000 0.215 85 A C 1.738 179.331 177.584 0.014 0.000 1.191 85 A CA 1.774 53.820 52.037 0.014 0.000 0.613 85 A CB -0.717 18.293 19.000 0.016 0.000 0.829 85 A HN 0.417 nan 8.150 nan 0.000 0.442 86 D N 0.235 120.644 120.400 0.015 0.000 2.191 86 D HA -0.173 4.290 4.640 -0.294 0.000 0.195 86 D C 1.858 178.166 176.300 0.012 0.000 1.003 86 D CA 1.709 55.717 54.000 0.014 0.000 0.867 86 D CB -0.340 40.468 40.800 0.015 0.000 0.926 86 D HN 0.469 nan 8.370 nan 0.000 0.450 87 A N -0.553 122.274 122.820 0.012 0.000 2.238 87 A HA 0.384 4.527 4.320 -0.294 0.000 0.208 87 A C 1.722 179.312 177.584 0.011 0.000 1.177 87 A CA 1.094 53.138 52.037 0.011 0.000 0.804 87 A CB -0.161 18.845 19.000 0.010 0.000 0.823 87 A HN 0.278 nan 8.150 nan 0.000 0.482 88 G N -0.843 107.964 108.800 0.012 0.000 2.136 88 G HA2 -0.210 3.573 3.960 -0.294 0.000 0.242 88 G HA3 -0.210 3.573 3.960 -0.294 0.000 0.242 88 G C 0.043 174.951 174.900 0.014 0.000 0.989 88 G CA 0.202 45.310 45.100 0.013 0.000 0.682 88 G HN 0.464 nan 8.290 nan 0.000 0.522 89 I N 0.880 121.458 120.570 0.013 0.000 2.428 89 I HA 0.277 4.271 4.170 -0.294 0.000 0.289 89 I C 0.858 176.985 176.117 0.016 0.000 1.019 89 I CA -0.497 60.811 61.300 0.012 0.000 1.351 89 I CB 1.298 39.302 38.000 0.007 0.000 1.412 89 I HN 0.277 nan 8.210 nan 0.000 0.513 90 E N 6.797 127.010 120.200 0.022 0.000 2.316 90 E HA 0.359 4.532 4.350 -0.294 0.000 0.275 90 E C -1.129 175.487 176.600 0.026 0.000 1.029 90 E CA -0.349 56.070 56.400 0.032 0.000 0.871 90 E CB 0.842 30.572 29.700 0.050 0.000 1.022 90 E HN 0.436 nan 8.360 nan 0.000 0.418 91 I N 6.032 126.618 120.570 0.027 0.000 2.410 91 I HA 0.256 4.249 4.170 -0.294 0.000 0.286 91 I C -0.332 175.803 176.117 0.030 0.000 1.009 91 I CA -0.743 60.569 61.300 0.020 0.000 1.111 91 I CB 1.549 39.556 38.000 0.012 0.000 1.262 91 I HN 0.398 nan 8.210 nan 0.000 0.443 92 V N 2.707 122.640 119.914 0.031 0.000 3.164 92 V HA 1.026 4.969 4.120 -0.294 0.000 0.313 92 V C -0.032 176.075 176.094 0.022 0.000 1.188 92 V CA -0.451 61.870 62.300 0.035 0.000 1.058 92 V CB 1.459 33.315 31.823 0.054 0.000 1.110 92 V HN 0.679 nan 8.190 nan 0.000 0.453 93 G N -0.312 108.498 108.800 0.016 0.000 3.175 93 G HA2 0.477 4.260 3.960 -0.294 0.000 0.255 93 G HA3 0.477 4.260 3.960 -0.294 0.000 0.255 93 G C 0.115 174.999 174.900 -0.027 0.000 1.352 93 G CA 0.332 45.434 45.100 0.003 0.000 1.037 93 G HN 0.923 nan 8.290 nan 0.000 0.556 94 D N -0.800 119.574 120.400 -0.044 0.000 2.183 94 D HA -0.117 4.346 4.640 -0.294 0.000 0.203 94 D C 2.086 178.334 176.300 -0.087 0.000 0.969 94 D CA 0.590 54.531 54.000 -0.099 0.000 0.842 94 D CB -0.015 40.732 40.800 -0.087 0.000 0.957 94 D HN 0.141 nan 8.370 nan 0.000 0.484 95 I N 1.214 121.753 120.570 -0.051 0.000 2.315 95 I HA -0.158 3.835 4.170 -0.294 0.000 0.248 95 I C 2.453 178.596 176.117 0.044 0.000 1.117 95 I CA 0.949 62.234 61.300 -0.025 0.000 1.404 95 I CB -1.134 36.844 38.000 -0.037 0.000 1.071 95 I HN 0.091 nan 8.210 nan 0.000 0.419 96 E N 1.496 121.704 120.200 0.014 0.000 2.072 96 E HA -0.159 4.015 4.350 -0.294 0.000 0.191 96 E C 2.283 178.887 176.600 0.007 0.000 0.985 96 E CA 1.180 57.596 56.400 0.027 0.000 0.801 96 E CB -0.308 29.411 29.700 0.032 0.000 0.750 96 E HN 0.448 nan 8.360 nan 0.000 0.452 97 L N -0.274 120.902 121.223 -0.079 0.000 2.046 97 L HA -0.103 4.060 4.340 -0.294 0.000 0.208 97 L C 2.365 179.122 176.870 -0.189 0.000 1.077 97 L CA 1.303 56.013 54.840 -0.217 0.000 0.747 97 L CB -0.567 41.086 42.059 -0.676 0.000 0.896 97 L HN 0.197 nan 8.230 nan 0.000 0.432 98 F N 0.373 120.151 119.950 -0.286 0.000 2.102 98 F HA -0.277 4.076 4.527 -0.290 0.000 0.298 98 F C 2.547 178.264 175.800 -0.138 0.000 1.105 98 F CA 1.684 59.550 58.000 -0.222 0.000 1.239 98 F CB -0.420 38.440 39.000 -0.233 0.000 0.991 98 F HN 0.040 nan 8.300 nan 0.000 0.474 99 C N 0.674 120.001 119.300 0.044 0.000 2.419 99 C HA -0.117 4.166 4.460 -0.294 0.000 0.283 99 C C 2.622 177.569 174.990 -0.072 0.000 1.373 99 C CA 0.928 59.942 59.018 -0.007 0.000 1.781 99 C CB -1.529 26.258 27.740 0.077 0.000 1.886 99 C HN 0.423 nan 8.230 nan 0.000 0.520 100 R N 0.170 120.642 120.500 -0.047 0.000 2.275 100 R HA -0.005 4.158 4.340 -0.294 0.000 0.199 100 R C 1.703 177.985 176.300 -0.030 0.000 0.989 100 R CA 0.673 56.770 56.100 -0.006 0.000 1.016 100 R CB 0.040 30.382 30.300 0.069 0.000 0.918 100 R HN 0.489 nan 8.270 nan 0.000 0.473 101 E N 0.166 120.300 120.200 -0.109 0.000 2.332 101 E HA 0.187 4.360 4.350 -0.294 0.000 0.202 101 E C 0.230 176.708 176.600 -0.205 0.000 0.877 101 E CA 0.149 56.486 56.400 -0.105 0.000 0.979 101 E CB 0.060 29.736 29.700 -0.040 0.000 0.969 101 E HN 0.152 nan 8.360 nan 0.000 0.495 102 A N 2.167 124.731 122.820 -0.427 0.000 2.587 102 A HA -0.023 4.121 4.320 -0.294 0.000 0.235 102 A C 0.615 178.161 177.584 -0.063 0.000 1.044 102 A CA 0.496 52.296 52.037 -0.395 0.000 0.754 102 A CB 0.155 18.757 19.000 -0.663 0.000 0.968 102 A HN -0.018 nan 8.150 nan 0.000 0.509 103 Q N 0.079 119.924 119.800 0.075 0.000 2.165 103 Q HA 0.446 4.610 4.340 -0.294 0.000 0.245 103 Q C -0.176 175.876 176.000 0.088 0.000 0.841 103 Q CA 0.601 56.444 55.803 0.065 0.000 1.078 103 Q CB 0.541 29.301 28.738 0.037 0.000 1.169 103 Q HN 0.860 nan 8.270 nan 0.000 0.475 104 A N 1.041 123.962 122.820 0.168 0.000 2.515 104 A HA 0.801 4.944 4.320 -0.294 0.000 0.296 104 A C -2.678 175.008 177.584 0.171 0.000 1.094 104 A CA -1.586 50.507 52.037 0.092 0.000 0.718 104 A CB 1.053 19.993 19.000 -0.099 0.000 1.307 104 A HN -0.077 nan 8.150 nan 0.000 0.408 105 P HA 0.360 nan 4.420 nan 0.000 0.267 105 P C -0.955 176.459 177.300 0.191 0.000 1.200 105 P CA 0.375 63.547 63.100 0.119 0.000 0.772 105 P CB 0.266 32.005 31.700 0.066 0.000 0.855 106 I N 1.507 122.189 120.570 0.187 0.000 2.404 106 I HA 0.249 4.242 4.170 -0.294 0.000 0.293 106 I C -0.298 175.894 176.117 0.124 0.000 0.992 106 I CA -0.901 60.524 61.300 0.210 0.000 1.149 106 I CB 1.824 39.958 38.000 0.224 0.000 1.315 106 I HN -0.029 nan 8.210 nan 0.000 0.446 107 V N 5.315 125.291 119.914 0.103 0.000 2.439 107 V HA 0.706 4.649 4.120 -0.294 0.000 0.282 107 V C 0.243 176.363 176.094 0.045 0.000 1.039 107 V CA -0.452 61.882 62.300 0.058 0.000 0.913 107 V CB 1.336 33.176 31.823 0.030 0.000 0.983 107 V HN 0.828 nan 8.190 nan 0.000 0.460 108 A N 6.418 129.256 122.820 0.031 0.000 2.330 108 A HA 0.902 5.045 4.320 -0.294 0.000 0.313 108 A C -0.933 176.642 177.584 -0.015 0.000 1.124 108 A CA -0.445 51.595 52.037 0.006 0.000 0.774 108 A CB 0.732 19.737 19.000 0.008 0.000 1.198 108 A HN 0.738 nan 8.150 nan 0.000 0.465 109 I N 1.470 122.020 120.570 -0.032 0.000 2.498 109 I HA 0.628 4.621 4.170 -0.294 0.000 0.290 109 I C 0.299 176.383 176.117 -0.055 0.000 1.032 109 I CA -0.087 61.190 61.300 -0.039 0.000 1.073 109 I CB 2.555 40.532 38.000 -0.038 0.000 1.251 109 I HN 0.666 nan 8.210 nan 0.000 0.426 110 T N 3.081 117.594 114.554 -0.068 0.000 2.696 110 T HA 0.943 5.117 4.350 -0.294 0.000 0.291 110 T C -0.839 173.826 174.700 -0.060 0.000 1.095 110 T CA -0.185 61.868 62.100 -0.078 0.000 1.026 110 T CB 1.905 70.698 68.868 -0.126 0.000 1.390 110 T HN 1.084 nan 8.240 nan 0.000 0.513 111 G N 0.308 109.071 108.800 -0.062 0.000 2.333 111 G HA2 0.239 4.023 3.960 -0.294 0.000 0.330 111 G HA3 0.239 4.023 3.960 -0.294 0.000 0.330 111 G C 0.409 175.316 174.900 0.011 0.000 1.465 111 G CA 0.287 45.367 45.100 -0.034 0.000 0.996 111 G HN 0.685 nan 8.290 nan 0.000 0.655 112 S N -0.468 115.259 115.700 0.044 0.000 2.428 112 S HA 0.086 4.380 4.470 -0.294 0.000 0.230 112 S C 0.815 175.446 174.600 0.051 0.000 1.014 112 S CA 1.514 59.776 58.200 0.102 0.000 0.957 112 S CB -0.082 63.201 63.200 0.140 0.000 0.784 112 S HN 0.857 nan 8.310 nan 0.000 0.499 113 N N -1.775 116.949 118.700 0.040 0.000 2.405 113 N HA 0.490 5.053 4.740 -0.294 0.000 0.274 113 N C 0.186 175.723 175.510 0.046 0.000 1.170 113 N CA 0.464 53.530 53.050 0.028 0.000 0.848 113 N CB 1.355 39.851 38.487 0.016 0.000 1.629 113 N HN 0.078 nan 8.380 nan 0.000 0.481 114 G N 1.644 110.472 108.800 0.047 0.000 2.217 114 G HA2 -0.346 3.437 3.960 -0.294 0.000 0.246 114 G HA3 -0.346 3.437 3.960 -0.294 0.000 0.246 114 G C 0.899 175.807 174.900 0.013 0.000 0.990 114 G CA 0.932 46.061 45.100 0.047 0.000 0.627 114 G HN 0.768 nan 8.290 nan 0.000 0.522 115 K N 0.477 120.883 120.400 0.010 0.000 2.148 115 K HA 0.138 4.281 4.320 -0.294 0.000 0.204 115 K C 2.265 178.861 176.600 -0.006 0.000 1.050 115 K CA 1.866 58.149 56.287 -0.006 0.000 0.942 115 K CB -0.318 32.177 32.500 -0.008 0.000 0.724 115 K HN 0.283 nan 8.250 nan 0.000 0.446 116 S N 0.889 116.600 115.700 0.018 0.000 2.414 116 S HA -0.058 4.235 4.470 -0.294 0.000 0.227 116 S C 1.889 176.509 174.600 0.033 0.000 1.022 116 S CA 1.375 59.598 58.200 0.039 0.000 0.958 116 S CB -0.230 63.020 63.200 0.083 0.000 0.797 116 S HN 0.406 nan 8.310 nan 0.000 0.493 117 T N 2.407 116.984 114.554 0.038 0.000 2.737 117 T HA -0.041 4.133 4.350 -0.294 0.000 0.265 117 T C 1.993 176.614 174.700 -0.132 0.000 1.038 117 T CA 1.229 63.347 62.100 0.030 0.000 1.144 117 T CB -0.387 68.530 68.868 0.082 0.000 0.866 117 T HN 0.195 nan 8.240 nan 0.000 0.434 118 V N 1.539 121.385 119.914 -0.113 0.000 2.343 118 V HA -0.182 3.762 4.120 -0.294 0.000 0.247 118 V C 2.780 178.783 176.094 -0.152 0.000 1.051 118 V CA 1.954 64.159 62.300 -0.158 0.000 1.036 118 V CB -1.270 30.470 31.823 -0.140 0.000 0.654 118 V HN 0.504 nan 8.190 nan 0.000 0.451 119 T N -0.081 114.414 114.554 -0.100 0.000 2.652 119 T HA -0.223 3.950 4.350 -0.294 0.000 0.267 119 T C 1.993 176.632 174.700 -0.102 0.000 1.039 119 T CA 2.296 64.350 62.100 -0.076 0.000 1.153 119 T CB -0.465 68.381 68.868 -0.037 0.000 0.863 119 T HN 0.568 nan 8.240 nan 0.000 0.428 120 T N 2.355 116.836 114.554 -0.122 0.000 2.720 120 T HA 0.007 4.181 4.350 -0.294 0.000 0.268 120 T C 2.002 176.496 174.700 -0.343 0.000 1.037 120 T CA 0.910 62.911 62.100 -0.164 0.000 1.144 120 T CB -0.488 68.334 68.868 -0.076 0.000 0.864 120 T HN 0.217 nan 8.240 nan 0.000 0.444 121 L N 0.615 121.535 121.223 -0.506 0.000 2.017 121 L HA -0.092 4.071 4.340 -0.294 0.000 0.208 121 L C 2.667 179.379 176.870 -0.264 0.000 1.073 121 L CA 1.026 55.553 54.840 -0.522 0.000 0.745 121 L CB -0.565 41.208 42.059 -0.478 0.000 0.894 121 L HN 0.151 nan 8.230 nan 0.000 0.432 122 V N -0.057 119.744 119.914 -0.189 0.000 2.490 122 V HA -0.199 3.744 4.120 -0.294 0.000 0.250 122 V C 2.568 178.612 176.094 -0.084 0.000 1.061 122 V CA 1.823 64.053 62.300 -0.117 0.000 1.064 122 V CB -1.162 30.606 31.823 -0.091 0.000 0.670 122 V HN 0.589 nan 8.190 nan 0.000 0.461 123 G N -0.270 108.480 108.800 -0.084 0.000 2.421 123 G HA2 -0.210 3.574 3.960 -0.294 0.000 0.216 123 G HA3 -0.210 3.574 3.960 -0.294 0.000 0.216 123 G C 1.470 176.344 174.900 -0.044 0.000 1.171 123 G CA 0.635 45.707 45.100 -0.048 0.000 0.775 123 G HN 0.482 nan 8.290 nan 0.000 0.543 124 E N 0.346 120.505 120.200 -0.067 0.000 2.106 124 E HA -0.030 4.143 4.350 -0.294 0.000 0.192 124 E C 2.621 179.204 176.600 -0.030 0.000 0.984 124 E CA 0.545 56.925 56.400 -0.033 0.000 0.806 124 E CB -0.380 29.304 29.700 -0.026 0.000 0.750 124 E HN 0.490 nan 8.360 nan 0.000 0.458 125 M N 0.307 119.876 119.600 -0.052 0.000 2.149 125 M HA -0.158 4.145 4.480 -0.294 0.000 0.261 125 M C 2.315 178.601 176.300 -0.023 0.000 1.064 125 M CA 1.751 57.029 55.300 -0.036 0.000 1.102 125 M CB -0.312 32.258 32.600 -0.049 0.000 1.369 125 M HN 0.057 nan 8.290 nan 0.000 0.408 126 A N 0.052 122.857 122.820 -0.026 0.000 1.970 126 A HA -0.098 4.045 4.320 -0.294 0.000 0.216 126 A C 2.099 179.675 177.584 -0.014 0.000 1.170 126 A CA 1.255 53.281 52.037 -0.019 0.000 0.645 126 A CB -0.353 18.633 19.000 -0.024 0.000 0.816 126 A HN 0.385 nan 8.150 nan 0.000 0.447 127 K N -0.180 120.214 120.400 -0.010 0.000 2.057 127 K HA -0.055 4.089 4.320 -0.294 0.000 0.207 127 K C 2.236 178.837 176.600 0.002 0.000 1.049 127 K CA 1.104 57.391 56.287 -0.001 0.000 0.931 127 K CB -0.290 32.214 32.500 0.007 0.000 0.714 127 K HN 0.419 nan 8.250 nan 0.000 0.440 128 A N 1.117 123.939 122.820 0.003 0.000 2.019 128 A HA -0.077 4.066 4.320 -0.294 0.000 0.219 128 A C 2.057 179.643 177.584 0.003 0.000 1.164 128 A CA 1.735 53.775 52.037 0.006 0.000 0.644 128 A CB -0.383 18.622 19.000 0.008 0.000 0.805 128 A HN 0.329 nan 8.150 nan 0.000 0.449 129 A N -1.683 121.136 122.820 -0.001 0.000 2.278 129 A HA 0.437 4.580 4.320 -0.294 0.000 0.212 129 A C 1.688 179.271 177.584 -0.003 0.000 1.213 129 A CA 1.013 53.049 52.037 -0.002 0.000 0.840 129 A CB -1.027 17.971 19.000 -0.003 0.000 0.866 129 A HN 1.809 nan 8.150 nan 0.000 0.489 130 G N -1.174 107.624 108.800 -0.003 0.000 2.155 130 G HA2 -0.223 3.560 3.960 -0.294 0.000 0.257 130 G HA3 -0.223 3.560 3.960 -0.294 0.000 0.257 130 G C 0.204 175.098 174.900 -0.010 0.000 0.983 130 G CA 0.317 45.414 45.100 -0.004 0.000 0.676 130 G HN 0.787 nan 8.290 nan 0.000 0.528 131 V N 1.498 121.404 119.914 -0.014 0.000 2.488 131 V HA 0.237 4.181 4.120 -0.294 0.000 0.277 131 V C 0.979 177.055 176.094 -0.031 0.000 1.046 131 V CA -0.829 61.456 62.300 -0.024 0.000 0.986 131 V CB 1.518 33.324 31.823 -0.028 0.000 0.989 131 V HN 0.443 nan 8.190 nan 0.000 0.475 132 N N 4.262 122.939 118.700 -0.038 0.000 2.416 132 N HA 0.047 4.610 4.740 -0.294 0.000 0.271 132 N C -0.854 174.609 175.510 -0.078 0.000 1.245 132 N CA 0.315 53.338 53.050 -0.046 0.000 0.940 132 N CB 1.154 39.613 38.487 -0.046 0.000 1.175 132 N HN 0.493 nan 8.380 nan 0.000 0.483 133 V N 2.909 122.788 119.914 -0.059 0.000 2.540 133 V HA 0.704 4.648 4.120 -0.294 0.000 0.302 133 V C 0.116 176.192 176.094 -0.031 0.000 1.035 133 V CA -0.616 61.643 62.300 -0.069 0.000 0.873 133 V CB 1.551 33.352 31.823 -0.036 0.000 0.992 133 V HN 0.639 nan 8.190 nan 0.000 0.428 134 G N 5.483 114.271 108.800 -0.020 0.000 2.370 134 G HA2 0.579 4.363 3.960 -0.294 0.000 0.317 134 G HA3 0.579 4.363 3.960 -0.294 0.000 0.317 134 G C -1.058 173.936 174.900 0.156 0.000 1.162 134 G CA -0.374 44.802 45.100 0.127 0.000 0.922 134 G HN 0.823 nan 8.290 nan 0.000 0.454 135 V N 2.109 122.077 119.914 0.091 0.000 2.398 135 V HA 0.948 4.891 4.120 -0.294 0.000 0.286 135 V C 0.762 176.876 176.094 0.032 0.000 1.026 135 V CA 0.485 62.818 62.300 0.055 0.000 0.868 135 V CB 0.713 32.555 31.823 0.033 0.000 0.982 135 V HN 1.208 nan 8.190 nan 0.000 0.443 136 G N 2.052 110.848 108.800 -0.006 0.000 2.393 136 G HA2 0.726 4.509 3.960 -0.294 0.000 0.264 136 G HA3 0.726 4.509 3.960 -0.294 0.000 0.264 136 G C -0.019 174.830 174.900 -0.085 0.000 1.221 136 G CA 0.384 45.462 45.100 -0.036 0.000 0.912 136 G HN 1.618 nan 8.290 nan 0.000 0.483 137 G N 0.142 108.870 108.800 -0.121 0.000 2.715 137 G HA2 -0.103 3.680 3.960 -0.294 0.000 0.221 137 G HA3 -0.103 3.680 3.960 -0.294 0.000 0.221 137 G C 0.843 175.704 174.900 -0.066 0.000 1.204 137 G CA 0.937 45.953 45.100 -0.140 0.000 1.063 137 G HN 1.637 nan 8.290 nan 0.000 0.586 138 N N 0.790 119.465 118.700 -0.041 0.000 2.609 138 N HA 0.143 4.706 4.740 -0.294 0.000 0.190 138 N C 0.803 176.337 175.510 0.039 0.000 1.157 138 N CA 1.254 54.306 53.050 0.004 0.000 0.918 138 N CB -0.055 38.434 38.487 0.004 0.000 0.978 138 N HN 0.654 nan 8.380 nan 0.000 0.448 139 I N -1.749 118.839 120.570 0.030 0.000 2.892 139 I HA 0.477 4.470 4.170 -0.294 0.000 0.306 139 I C 0.916 177.059 176.117 0.042 0.000 1.078 139 I CA -0.158 61.179 61.300 0.063 0.000 1.032 139 I CB 1.266 39.305 38.000 0.065 0.000 1.229 139 I HN 0.270 nan 8.210 nan 0.000 0.435 140 G N 5.312 114.146 108.800 0.056 0.000 2.582 140 G HA2 -0.278 3.506 3.960 -0.294 0.000 0.288 140 G HA3 -0.278 3.506 3.960 -0.294 0.000 0.288 140 G C -0.243 174.671 174.900 0.024 0.000 1.247 140 G CA 0.032 45.157 45.100 0.041 0.000 0.972 140 G HN 0.731 nan 8.290 nan 0.000 0.557 141 L N 2.266 123.500 121.223 0.018 0.000 2.485 141 L HA 0.264 4.427 4.340 -0.294 0.000 0.275 141 L C -1.708 175.148 176.870 -0.024 0.000 1.207 141 L CA -1.304 53.541 54.840 0.007 0.000 0.855 141 L CB 0.491 42.562 42.059 0.020 0.000 1.114 141 L HN 0.284 nan 8.230 nan 0.000 0.485 142 P HA -0.010 nan 4.420 nan 0.000 0.268 142 P C 0.199 177.432 177.300 -0.113 0.000 1.204 142 P CA 0.044 63.108 63.100 -0.061 0.000 0.768 142 P CB 0.978 32.660 31.700 -0.029 0.000 0.842 143 A N 4.276 126.952 122.820 -0.240 0.000 1.915 143 A HA -0.248 3.896 4.320 -0.294 0.000 0.220 143 A C 1.925 179.363 177.584 -0.242 0.000 1.198 143 A CA 1.976 53.701 52.037 -0.520 0.000 0.647 143 A CB -1.739 16.717 19.000 -0.907 0.000 0.825 143 A HN 0.602 nan 8.150 nan 0.000 0.456 144 L N -1.255 119.942 121.223 -0.043 0.000 2.261 144 L HA -0.176 3.987 4.340 -0.294 0.000 0.216 144 L C 2.488 179.448 176.870 0.150 0.000 1.114 144 L CA 1.217 56.138 54.840 0.135 0.000 0.777 144 L CB -0.518 41.555 42.059 0.023 0.000 0.910 144 L HN 0.472 nan 8.230 nan 0.000 0.440 145 M N -0.800 118.850 119.600 0.082 0.000 2.595 145 M HA -0.034 4.269 4.480 -0.294 0.000 0.248 145 M C 1.675 178.050 176.300 0.126 0.000 1.119 145 M CA 0.918 56.274 55.300 0.094 0.000 1.079 145 M CB -0.010 32.626 32.600 0.060 0.000 1.472 145 M HN 0.271 nan 8.290 nan 0.000 0.501 146 L N -0.145 121.174 121.223 0.161 0.000 2.446 146 L HA 0.146 4.309 4.340 -0.294 0.000 0.219 146 L C 0.858 177.967 176.870 0.399 0.000 1.116 146 L CA -0.148 54.851 54.840 0.264 0.000 0.844 146 L CB -0.160 42.067 42.059 0.280 0.000 0.970 146 L HN 0.245 nan 8.230 nan 0.000 0.457 147 L N 2.285 123.714 121.223 0.343 0.000 2.615 147 L HA -0.015 4.149 4.340 -0.294 0.000 0.271 147 L C -0.508 176.503 176.870 0.234 0.000 1.183 147 L CA 0.611 55.613 54.840 0.270 0.000 0.933 147 L CB -0.013 42.125 42.059 0.132 0.000 1.199 147 L HN 0.097 nan 8.230 nan 0.000 0.487 148 D N 2.300 122.867 120.400 0.278 0.000 2.688 148 D HA 0.063 4.526 4.640 -0.294 0.000 0.210 148 D C 0.349 176.724 176.300 0.126 0.000 1.333 148 D CA -0.508 53.590 54.000 0.163 0.000 0.920 148 D CB 1.241 42.126 40.800 0.141 0.000 1.554 148 D HN 0.335 nan 8.370 nan 0.000 0.579 149 D N 1.599 122.045 120.400 0.077 0.000 2.220 149 D HA -0.179 4.284 4.640 -0.294 0.000 0.198 149 D C 1.303 177.613 176.300 0.018 0.000 1.001 149 D CA 1.033 55.059 54.000 0.043 0.000 0.875 149 D CB 0.482 41.298 40.800 0.026 0.000 0.921 149 D HN 0.532 nan 8.370 nan 0.000 0.454 150 E N -0.347 119.862 120.200 0.014 0.000 2.285 150 E HA -0.055 4.118 4.350 -0.294 0.000 0.194 150 E C 0.773 177.349 176.600 -0.041 0.000 0.997 150 E CA -0.085 56.311 56.400 -0.007 0.000 0.845 150 E CB -0.079 29.623 29.700 0.003 0.000 0.782 150 E HN 0.235 nan 8.360 nan 0.000 0.491 151 C N 1.520 120.781 119.300 -0.066 0.000 2.642 151 C HA 0.019 4.302 4.460 -0.294 0.000 0.420 151 C C 1.532 176.384 174.990 -0.231 0.000 1.349 151 C CA 0.072 58.975 59.018 -0.192 0.000 1.821 151 C CB -0.105 27.421 27.740 -0.357 0.000 2.637 151 C HN 0.352 nan 8.230 nan 0.000 0.605 152 E N 1.803 121.875 120.200 -0.213 0.000 2.447 152 E HA 0.254 4.428 4.350 -0.294 0.000 0.204 152 E C -0.572 175.928 176.600 -0.166 0.000 0.977 152 E CA 0.080 56.390 56.400 -0.150 0.000 0.950 152 E CB 0.515 30.163 29.700 -0.087 0.000 0.975 152 E HN 0.579 nan 8.360 nan 0.000 0.496 153 L N -0.022 121.048 121.223 -0.255 0.000 2.545 153 L HA 0.338 4.501 4.340 -0.294 0.000 0.258 153 L C -2.013 174.678 176.870 -0.298 0.000 0.942 153 L CA -0.775 53.949 54.840 -0.193 0.000 0.855 153 L CB 1.294 43.306 42.059 -0.077 0.000 1.374 153 L HN -0.184 nan 8.230 nan 0.000 0.411 154 Y N 3.321 123.676 120.300 0.090 0.000 2.341 154 Y HA 0.698 5.073 4.550 -0.292 0.000 0.337 154 Y C -0.237 175.695 175.900 0.053 0.000 1.014 154 Y CA -0.827 57.337 58.100 0.107 0.000 1.111 154 Y CB 1.990 40.591 38.460 0.236 0.000 1.194 154 Y HN 0.268 nan 8.280 nan 0.000 0.462 155 V N 5.642 125.658 119.914 0.170 0.000 2.378 155 V HA 0.448 4.391 4.120 -0.294 0.000 0.288 155 V C -0.505 175.610 176.094 0.034 0.000 1.016 155 V CA -0.883 61.463 62.300 0.076 0.000 0.840 155 V CB 1.309 33.147 31.823 0.024 0.000 0.994 155 V HN 0.573 nan 8.190 nan 0.000 0.431 156 L N 3.857 125.081 121.223 0.002 0.000 2.356 156 L HA 0.581 4.744 4.340 -0.294 0.000 0.277 156 L C 0.072 176.912 176.870 -0.051 0.000 0.996 156 L CA -0.441 54.363 54.840 -0.061 0.000 0.822 156 L CB 2.291 44.279 42.059 -0.119 0.000 1.256 156 L HN 0.651 nan 8.230 nan 0.000 0.413 157 E N 4.073 124.243 120.200 -0.051 0.000 2.289 157 E HA 0.481 4.654 4.350 -0.294 0.000 0.278 157 E C -1.438 175.130 176.600 -0.053 0.000 1.032 157 E CA -0.429 55.947 56.400 -0.040 0.000 0.854 157 E CB 0.964 30.653 29.700 -0.018 0.000 1.046 157 E HN 0.461 nan 8.360 nan 0.000 0.409 158 L N 3.883 125.073 121.223 -0.054 0.000 2.381 158 L HA 0.303 4.467 4.340 -0.294 0.000 0.274 158 L C -0.008 176.823 176.870 -0.065 0.000 0.988 158 L CA -0.901 53.903 54.840 -0.060 0.000 0.824 158 L CB 1.895 43.915 42.059 -0.065 0.000 1.263 158 L HN 0.575 nan 8.230 nan 0.000 0.410 159 S N 0.112 115.773 115.700 -0.065 0.000 2.632 159 S HA 0.169 4.462 4.470 -0.294 0.000 0.267 159 S C 1.291 175.816 174.600 -0.126 0.000 1.276 159 S CA -0.079 58.048 58.200 -0.122 0.000 0.998 159 S CB 1.659 64.751 63.200 -0.180 0.000 0.953 159 S HN 0.759 nan 8.310 nan 0.000 0.547 160 S N 1.305 116.891 115.700 -0.189 0.000 2.380 160 S HA -0.202 4.091 4.470 -0.294 0.000 0.229 160 S C 1.470 176.124 174.600 0.091 0.000 1.043 160 S CA 1.353 59.501 58.200 -0.087 0.000 1.038 160 S CB -1.135 62.053 63.200 -0.020 0.000 0.872 160 S HN 0.669 nan 8.310 nan 0.000 0.456 161 F N 2.173 122.170 119.950 0.078 0.000 2.102 161 F HA 0.033 4.382 4.527 -0.296 0.000 0.298 161 F C 2.944 178.754 175.800 0.018 0.000 1.105 161 F CA 0.838 58.861 58.000 0.038 0.000 1.239 161 F CB -1.507 37.473 39.000 -0.034 0.000 0.991 161 F HN 0.273 nan 8.300 nan 0.000 0.474 162 Q N 0.142 120.037 119.800 0.158 0.000 2.096 162 Q HA -0.187 3.977 4.340 -0.294 0.000 0.204 162 Q C 2.317 178.350 176.000 0.054 0.000 0.982 162 Q CA 1.603 57.450 55.803 0.075 0.000 0.850 162 Q CB -0.495 28.255 28.738 0.019 0.000 0.901 162 Q HN 0.409 nan 8.270 nan 0.000 0.422 163 L N 0.573 121.819 121.223 0.038 0.000 2.083 163 L HA -0.202 3.962 4.340 -0.294 0.000 0.209 163 L C 2.105 179.005 176.870 0.049 0.000 1.083 163 L CA 1.131 55.983 54.840 0.020 0.000 0.752 163 L CB -0.383 41.660 42.059 -0.026 0.000 0.899 163 L HN 0.232 nan 8.230 nan 0.000 0.433 164 E N -0.351 119.909 120.200 0.099 0.000 2.171 164 E HA -0.215 3.959 4.350 -0.294 0.000 0.197 164 E C 1.546 178.190 176.600 0.072 0.000 0.997 164 E CA 1.801 58.266 56.400 0.108 0.000 0.810 164 E CB -0.133 29.667 29.700 0.167 0.000 0.738 164 E HN 0.594 nan 8.360 nan 0.000 0.467 165 T N -1.936 112.656 114.554 0.063 0.000 3.134 165 T HA 0.133 4.307 4.350 -0.294 0.000 0.260 165 T C 0.283 175.006 174.700 0.038 0.000 1.027 165 T CA -0.405 61.722 62.100 0.046 0.000 0.913 165 T CB 0.527 69.418 68.868 0.039 0.000 1.046 165 T HN -0.185 nan 8.240 nan 0.000 0.553 166 T N 1.731 116.307 114.554 0.036 0.000 2.823 166 T HA 0.552 4.726 4.350 -0.294 0.000 0.279 166 T C 0.812 175.530 174.700 0.031 0.000 0.998 166 T CA -0.527 61.592 62.100 0.032 0.000 0.994 166 T CB 1.851 70.734 68.868 0.025 0.000 0.960 166 T HN 0.296 nan 8.240 nan 0.000 0.448 167 S N 0.220 115.941 115.700 0.035 0.000 2.653 167 S HA 0.105 4.399 4.470 -0.294 0.000 0.259 167 S C 1.273 175.894 174.600 0.035 0.000 1.076 167 S CA -0.422 57.799 58.200 0.034 0.000 1.051 167 S CB 0.230 63.451 63.200 0.035 0.000 0.994 167 S HN 0.400 nan 8.310 nan 0.000 0.552 168 S N 1.941 117.664 115.700 0.039 0.000 2.597 168 S HA 0.397 4.690 4.470 -0.294 0.000 0.224 168 S C -0.005 174.620 174.600 0.042 0.000 0.955 168 S CA -0.450 57.773 58.200 0.038 0.000 0.933 168 S CB -0.133 63.091 63.200 0.039 0.000 0.788 168 S HN 0.510 nan 8.310 nan 0.000 0.488 169 L N 3.082 124.332 121.223 0.045 0.000 2.410 169 L HA 0.229 4.393 4.340 -0.294 0.000 0.273 169 L C -0.103 176.798 176.870 0.051 0.000 1.144 169 L CA 0.802 55.675 54.840 0.054 0.000 0.863 169 L CB 0.312 42.400 42.059 0.047 0.000 1.140 169 L HN 0.100 nan 8.230 nan 0.000 0.463 170 Q N 5.763 125.598 119.800 0.057 0.000 2.907 170 Q HA 0.494 4.657 4.340 -0.294 0.000 0.262 170 Q C -0.430 175.609 176.000 0.066 0.000 0.997 170 Q CA -0.556 55.280 55.803 0.056 0.000 0.797 170 Q CB 1.212 29.979 28.738 0.047 0.000 1.228 170 Q HN 0.862 nan 8.270 nan 0.000 0.466 171 A N 0.855 123.718 122.820 0.071 0.000 2.407 171 A HA 0.160 4.303 4.320 -0.294 0.000 0.248 171 A C 1.156 178.783 177.584 0.072 0.000 1.082 171 A CA -0.287 51.796 52.037 0.077 0.000 0.785 171 A CB 0.829 19.873 19.000 0.074 0.000 1.020 171 A HN 0.518 nan 8.150 nan 0.000 0.489 172 V N 1.613 121.569 119.914 0.070 0.000 2.343 172 V HA 0.173 4.116 4.120 -0.294 0.000 0.247 172 V C 1.131 177.259 176.094 0.056 0.000 1.051 172 V CA 2.427 64.761 62.300 0.058 0.000 1.036 172 V CB -0.290 31.565 31.823 0.053 0.000 0.654 172 V HN 1.262 nan 8.190 nan 0.000 0.451 173 A N -0.887 121.968 122.820 0.059 0.000 2.408 173 A HA 0.861 5.004 4.320 -0.294 0.000 0.295 173 A C -0.621 177.007 177.584 0.073 0.000 1.040 173 A CA 0.110 52.183 52.037 0.061 0.000 0.707 173 A CB 1.607 20.629 19.000 0.037 0.000 1.235 173 A HN 0.849 nan 8.150 nan 0.000 0.418 174 A N 1.336 124.225 122.820 0.115 0.000 2.371 174 A HA 0.907 5.051 4.320 -0.294 0.000 0.311 174 A C -0.254 177.463 177.584 0.222 0.000 1.068 174 A CA -0.320 51.795 52.037 0.131 0.000 0.744 174 A CB 1.624 20.710 19.000 0.143 0.000 1.239 174 A HN 1.305 nan 8.150 nan 0.000 0.435 175 T N 1.625 116.260 114.554 0.136 0.000 2.893 175 T HA 0.653 4.826 4.350 -0.294 0.000 0.291 175 T C -1.071 173.649 174.700 0.034 0.000 1.028 175 T CA -0.389 61.829 62.100 0.197 0.000 0.995 175 T CB 0.481 69.452 68.868 0.173 0.000 1.051 175 T HN 0.464 nan 8.240 nan 0.000 0.470 176 I N 5.920 126.543 120.570 0.087 0.000 2.354 176 I HA 0.282 4.276 4.170 -0.294 0.000 0.286 176 I C 1.153 177.352 176.117 0.137 0.000 1.007 176 I CA -0.594 60.710 61.300 0.006 0.000 1.167 176 I CB 1.622 39.577 38.000 -0.075 0.000 1.320 176 I HN 0.614 nan 8.210 nan 0.000 0.458 177 L N 5.584 126.885 121.223 0.129 0.000 2.156 177 L HA -0.059 4.104 4.340 -0.294 0.000 0.208 177 L C 0.211 177.211 176.870 0.215 0.000 1.095 177 L CA 0.983 55.980 54.840 0.261 0.000 0.770 177 L CB -0.454 41.697 42.059 0.153 0.000 0.914 177 L HN 0.829 nan 8.230 nan 0.000 0.439 178 N N -3.180 115.576 118.700 0.094 0.000 3.501 178 N HA 0.398 4.961 4.740 -0.294 0.000 0.235 178 N C -1.358 174.154 175.510 0.003 0.000 1.442 178 N CA -0.743 52.340 53.050 0.055 0.000 0.872 178 N CB 1.729 40.263 38.487 0.079 0.000 1.414 178 N HN -0.303 nan 8.380 nan 0.000 0.485 179 V N -0.321 119.595 119.914 0.003 0.000 2.610 179 V HA 0.752 4.695 4.120 -0.294 0.000 0.288 179 V C -0.832 175.304 176.094 0.070 0.000 1.055 179 V CA -0.124 62.167 62.300 -0.015 0.000 0.902 179 V CB 0.962 32.726 31.823 -0.098 0.000 1.030 179 V HN 1.141 nan 8.190 nan 0.000 0.448 180 T N 0.057 114.699 114.554 0.148 0.000 2.896 180 T HA 0.623 4.796 4.350 -0.294 0.000 0.297 180 T C -0.409 174.395 174.700 0.174 0.000 1.108 180 T CA -0.758 61.419 62.100 0.128 0.000 1.004 180 T CB 2.153 71.063 68.868 0.069 0.000 1.159 180 T HN 0.614 nan 8.240 nan 0.000 0.499 181 E N 0.829 121.068 120.200 0.065 0.000 2.694 181 E HA 0.161 4.334 4.350 -0.294 0.000 0.250 181 E C -0.858 175.634 176.600 -0.181 0.000 0.963 181 E CA 0.620 56.992 56.400 -0.047 0.000 0.949 181 E CB 0.182 29.843 29.700 -0.066 0.000 0.911 181 E HN 0.616 nan 8.360 nan 0.000 0.500 182 D N 1.600 121.718 120.400 -0.470 0.000 2.648 182 D HA 0.168 4.631 4.640 -0.294 0.000 0.244 182 D C -0.929 174.967 176.300 -0.674 0.000 1.244 182 D CA -0.270 53.377 54.000 -0.588 0.000 0.772 182 D CB 0.662 41.139 40.800 -0.538 0.000 1.379 182 D HN 0.589 nan 8.370 nan 0.000 0.428 183 H N 1.895 120.850 119.070 -0.192 0.000 2.958 183 H HA -0.149 4.231 4.556 -0.293 0.000 0.274 183 H C 1.263 176.649 175.328 0.097 0.000 1.184 183 H CA 0.787 56.858 56.048 0.038 0.000 1.143 183 H CB -0.960 28.892 29.762 0.149 0.000 1.297 183 H HN 0.430 nan 8.280 nan 0.000 0.356 184 M N 0.707 120.328 119.600 0.035 0.000 2.539 184 M HA -0.085 4.218 4.480 -0.294 0.000 0.261 184 M C 1.892 178.232 176.300 0.066 0.000 1.069 184 M CA 1.517 56.853 55.300 0.060 0.000 1.081 184 M CB -0.510 32.067 32.600 -0.039 0.000 1.412 184 M HN 0.400 nan 8.290 nan 0.000 0.482 185 D N -0.946 119.486 120.400 0.054 0.000 2.347 185 D HA -0.130 4.333 4.640 -0.294 0.000 0.215 185 D C 1.539 177.826 176.300 -0.022 0.000 0.976 185 D CA 0.542 54.551 54.000 0.016 0.000 0.884 185 D CB -0.196 40.614 40.800 0.018 0.000 0.915 185 D HN 0.262 nan 8.370 nan 0.000 0.526 186 R N -0.669 119.814 120.500 -0.029 0.000 2.397 186 R HA 0.094 4.257 4.340 -0.294 0.000 0.241 186 R C -0.365 175.666 176.300 -0.447 0.000 0.914 186 R CA -0.090 55.843 56.100 -0.280 0.000 1.071 186 R CB 0.414 30.463 30.300 -0.419 0.000 1.116 186 R HN 0.196 nan 8.270 nan 0.000 0.524 187 Y N 0.756 121.136 120.300 0.134 0.000 2.705 187 Y HA 0.292 4.665 4.550 -0.295 0.000 0.355 187 Y C -1.679 174.289 175.900 0.114 0.000 1.039 187 Y CA -2.512 55.691 58.100 0.172 0.000 1.233 187 Y CB 1.459 40.041 38.460 0.203 0.000 1.103 187 Y HN -0.081 nan 8.280 nan 0.000 0.624 188 P HA -0.093 nan 4.420 nan 0.000 0.230 188 P C 0.523 177.685 177.300 -0.232 0.000 1.158 188 P CA 1.207 64.280 63.100 -0.046 0.000 0.769 188 P CB 0.111 31.733 31.700 -0.130 0.000 0.807 189 F N 0.040 120.063 119.950 0.122 0.000 2.645 189 F HA 0.424 4.775 4.527 -0.294 0.000 0.300 189 F C 1.791 177.653 175.800 0.103 0.000 1.115 189 F CA 0.485 58.545 58.000 0.100 0.000 1.355 189 F CB -0.467 38.591 39.000 0.097 0.000 1.026 189 F HN 0.034 nan 8.300 nan 0.000 0.536 190 G N 0.486 109.416 108.800 0.216 0.000 2.632 190 G HA2 -0.316 3.467 3.960 -0.294 0.000 0.224 190 G HA3 -0.316 3.467 3.960 -0.294 0.000 0.224 190 G C 0.467 175.459 174.900 0.154 0.000 1.341 190 G CA -0.158 45.025 45.100 0.138 0.000 0.880 190 G HN 0.225 nan 8.290 nan 0.000 0.566 191 L N -0.168 121.124 121.223 0.114 0.000 2.083 191 L HA 0.013 4.176 4.340 -0.294 0.000 0.209 191 L C 2.973 179.912 176.870 0.115 0.000 1.083 191 L CA 2.944 57.866 54.840 0.137 0.000 0.752 191 L CB -0.405 41.716 42.059 0.103 0.000 0.899 191 L HN 0.605 nan 8.230 nan 0.000 0.433 192 Q N -0.645 119.208 119.800 0.088 0.000 2.226 192 Q HA -0.256 3.907 4.340 -0.294 0.000 0.204 192 Q C 2.096 178.124 176.000 0.046 0.000 0.975 192 Q CA 1.619 57.456 55.803 0.056 0.000 0.866 192 Q CB -0.320 28.454 28.738 0.061 0.000 0.915 192 Q HN 0.699 nan 8.270 nan 0.000 0.440 193 Q N -0.763 119.097 119.800 0.100 0.000 2.137 193 Q HA -0.149 4.014 4.340 -0.294 0.000 0.198 193 Q C 1.828 177.793 176.000 -0.058 0.000 0.960 193 Q CA 0.662 56.528 55.803 0.105 0.000 0.847 193 Q CB -0.044 28.870 28.738 0.293 0.000 0.915 193 Q HN 0.346 nan 8.270 nan 0.000 0.448 194 Y N 1.461 121.523 120.300 -0.398 0.000 2.114 194 Y HA -0.211 4.162 4.550 -0.295 0.000 0.284 194 Y C 2.333 177.996 175.900 -0.394 0.000 1.143 194 Y CA 2.097 59.706 58.100 -0.819 0.000 1.135 194 Y CB -0.427 37.692 38.460 -0.569 0.000 0.980 194 Y HN 0.022 nan 8.280 nan 0.000 0.499 195 R N 0.441 120.738 120.500 -0.339 0.000 2.091 195 R HA -0.179 3.984 4.340 -0.294 0.000 0.238 195 R C 2.304 178.466 176.300 -0.229 0.000 1.136 195 R CA 1.448 57.345 56.100 -0.339 0.000 0.959 195 R CB -0.628 29.577 30.300 -0.158 0.000 0.856 195 R HN 0.458 nan 8.270 nan 0.000 0.437 196 A N 1.273 124.013 122.820 -0.133 0.000 1.908 196 A HA 0.002 4.146 4.320 -0.294 0.000 0.218 196 A C 1.432 178.970 177.584 -0.077 0.000 1.181 196 A CA 1.332 53.326 52.037 -0.071 0.000 0.627 196 A CB -0.769 18.217 19.000 -0.023 0.000 0.818 196 A HN 0.587 nan 8.150 nan 0.000 0.445 200 R N 0.718 121.158 120.500 -0.099 0.000 2.200 200 R HA -0.047 4.116 4.340 -0.294 0.000 0.234 200 R C 2.015 178.273 176.300 -0.070 0.000 1.127 200 R CA 1.549 57.619 56.100 -0.051 0.000 0.989 200 R CB -0.095 30.188 30.300 -0.030 0.000 0.869 200 R HN 0.381 nan 8.270 nan 0.000 0.459 201 I N -0.033 120.426 120.570 -0.184 0.000 2.546 201 I HA -0.240 3.754 4.170 -0.294 0.000 0.255 201 I C 1.042 177.101 176.117 -0.097 0.000 1.163 201 I CA 1.093 62.282 61.300 -0.185 0.000 1.457 201 I CB 0.146 37.965 38.000 -0.303 0.000 1.092 201 I HN 0.113 nan 8.210 nan 0.000 0.434 202 Y N 1.288 121.587 120.300 -0.003 0.000 2.516 202 Y HA 0.048 4.422 4.550 -0.294 0.000 0.291 202 Y C 0.926 176.830 175.900 0.006 0.000 1.131 202 Y CA -0.206 57.895 58.100 0.002 0.000 1.281 202 Y CB -0.766 37.692 38.460 -0.004 0.000 1.013 202 Y HN 0.148 nan 8.280 nan 0.000 0.554 203 E N 2.026 122.311 120.200 0.140 0.000 2.493 203 E HA -0.092 4.082 4.350 -0.294 0.000 0.255 203 E C 0.236 176.880 176.600 0.074 0.000 0.999 203 E CA 0.227 56.680 56.400 0.087 0.000 0.934 203 E CB -0.050 29.683 29.700 0.056 0.000 0.940 203 E HN 0.309 nan 8.360 nan 0.000 0.473 204 N N 0.212 118.950 118.700 0.063 0.000 2.753 204 N HA -0.223 4.340 4.740 -0.294 0.000 0.251 204 N C -0.648 174.898 175.510 0.061 0.000 1.097 204 N CA 1.017 54.099 53.050 0.053 0.000 0.786 204 N CB -1.230 37.283 38.487 0.044 0.000 1.137 204 N HN 0.507 nan 8.380 nan 0.000 0.566 205 A N 0.649 123.517 122.820 0.081 0.000 2.363 205 A HA 0.226 4.369 4.320 -0.294 0.000 0.270 205 A C 1.382 179.005 177.584 0.064 0.000 1.121 205 A CA -0.110 51.979 52.037 0.087 0.000 0.800 205 A CB 0.869 19.954 19.000 0.141 0.000 1.052 205 A HN 0.238 nan 8.150 nan 0.000 0.493 206 K N 1.479 121.913 120.400 0.057 0.000 2.026 206 K HA -0.012 4.132 4.320 -0.294 0.000 0.208 206 K C -0.036 176.587 176.600 0.038 0.000 1.048 206 K CA 1.501 57.814 56.287 0.043 0.000 0.929 206 K CB -0.043 32.482 32.500 0.041 0.000 0.713 206 K HN 0.529 nan 8.250 nan 0.000 0.439 207 V N 1.039 120.981 119.914 0.047 0.000 2.789 207 V HA 0.215 4.158 4.120 -0.294 0.000 0.311 207 V C -0.456 175.669 176.094 0.051 0.000 1.073 207 V CA -1.136 61.187 62.300 0.038 0.000 0.921 207 V CB 1.496 33.345 31.823 0.043 0.000 1.009 207 V HN 0.434 nan 8.190 nan 0.000 0.426 208 c N 2.783 121.388 118.600 0.009 0.000 2.411 208 c HA 0.942 5.335 4.570 -0.294 0.000 0.330 208 c C -0.359 173.719 174.090 -0.020 0.000 1.224 208 c CA -0.866 55.454 56.329 -0.015 0.000 1.770 208 c CB 0.679 42.993 42.510 -0.327 0.000 2.297 208 c HN 0.574 nan 8.230 nan 0.000 0.507 209 V N 3.696 123.660 119.914 0.085 0.000 2.409 209 V HA 0.621 4.565 4.120 -0.294 0.000 0.290 209 V C 0.215 176.412 176.094 0.172 0.000 1.017 209 V CA -0.223 62.148 62.300 0.118 0.000 0.841 209 V CB 1.148 33.055 31.823 0.140 0.000 1.003 209 V HN 1.059 nan 8.190 nan 0.000 0.426 210 V N 1.730 121.671 119.914 0.044 0.000 2.975 210 V HA 0.710 4.654 4.120 -0.294 0.000 0.318 210 V C -0.129 175.787 176.094 -0.297 0.000 1.077 210 V CA -0.828 61.452 62.300 -0.033 0.000 1.000 210 V CB 2.114 33.872 31.823 -0.108 0.000 1.066 210 V HN 0.732 nan 8.190 nan 0.000 0.452 211 N N 1.814 120.247 118.700 -0.444 0.000 2.439 211 N HA 0.461 5.025 4.740 -0.294 0.000 0.249 211 N C 0.804 176.037 175.510 -0.462 0.000 1.003 211 N CA 0.192 52.681 53.050 -0.935 0.000 0.942 211 N CB 1.421 39.546 38.487 -0.603 0.000 1.115 211 N HN 1.001 nan 8.380 nan 0.000 0.505 212 A N 3.339 125.906 122.820 -0.422 0.000 2.019 212 A HA -0.119 4.024 4.320 -0.294 0.000 0.219 212 A C 1.242 178.743 177.584 -0.138 0.000 1.164 212 A CA 1.257 53.174 52.037 -0.200 0.000 0.644 212 A CB -0.097 18.825 19.000 -0.131 0.000 0.805 212 A HN 0.719 nan 8.150 nan 0.000 0.449 213 D N -0.413 119.899 120.400 -0.147 0.000 2.349 213 D HA 0.042 4.505 4.640 -0.294 0.000 0.224 213 D C -0.395 175.874 176.300 -0.053 0.000 1.029 213 D CA 0.514 54.474 54.000 -0.066 0.000 0.879 213 D CB 0.248 41.035 40.800 -0.021 0.000 0.906 213 D HN 0.380 nan 8.370 nan 0.000 0.528 214 D N -0.357 119.995 120.400 -0.080 0.000 2.479 214 D HA 0.282 4.745 4.640 -0.294 0.000 0.246 214 D C 0.663 176.934 176.300 -0.048 0.000 1.336 214 D CA -0.592 53.381 54.000 -0.045 0.000 0.967 214 D CB 1.369 42.152 40.800 -0.029 0.000 1.275 214 D HN -0.128 nan 8.370 nan 0.000 0.577 215 A N 4.021 126.822 122.820 -0.032 0.000 2.019 215 A HA -0.064 4.079 4.320 -0.294 0.000 0.219 215 A C 2.090 179.663 177.584 -0.018 0.000 1.164 215 A CA 0.788 52.807 52.037 -0.029 0.000 0.644 215 A CB -0.292 18.696 19.000 -0.020 0.000 0.805 215 A HN 0.694 nan 8.150 nan 0.000 0.449 216 L N 0.061 121.276 121.223 -0.014 0.000 2.291 216 L HA -0.112 4.051 4.340 -0.294 0.000 0.214 216 L C 2.742 179.610 176.870 -0.003 0.000 1.120 216 L CA 1.626 56.458 54.840 -0.012 0.000 0.799 216 L CB -0.851 41.197 42.059 -0.017 0.000 0.925 216 L HN 0.655 nan 8.230 nan 0.000 0.446 217 T N -3.295 111.264 114.554 0.008 0.000 3.072 217 T HA -0.021 4.152 4.350 -0.294 0.000 0.266 217 T C 0.828 175.613 174.700 0.142 0.000 1.127 217 T CA 0.264 62.405 62.100 0.068 0.000 1.107 217 T CB -0.162 68.738 68.868 0.053 0.000 0.910 217 T HN 0.071 nan 8.240 nan 0.000 0.513 218 M N 2.108 121.735 119.600 0.046 0.000 2.216 218 M HA 0.392 4.695 4.480 -0.294 0.000 0.356 218 M C -2.344 173.972 176.300 0.026 0.000 1.205 218 M CA -2.364 52.932 55.300 -0.007 0.000 1.122 218 M CB 0.979 33.551 32.600 -0.045 0.000 1.571 218 M HN -0.123 nan 8.290 nan 0.000 0.464 219 P HA -0.015 nan 4.420 nan 0.000 0.267 219 P C 0.348 177.653 177.300 0.007 0.000 1.195 219 P CA 0.328 63.439 63.100 0.018 0.000 0.773 219 P CB 0.522 32.183 31.700 -0.065 0.000 0.837 220 I N -0.147 120.436 120.570 0.021 0.000 2.202 220 I HA -0.161 3.832 4.170 -0.294 0.000 0.242 220 I C 1.661 177.778 176.117 -0.001 0.000 1.091 220 I CA 1.827 63.133 61.300 0.009 0.000 1.368 220 I CB -0.284 37.723 38.000 0.013 0.000 1.058 220 I HN 0.371 nan 8.210 nan 0.000 0.410 226 R N -0.124 120.356 120.500 -0.032 0.000 2.919 226 R HA 0.136 4.299 4.340 -0.294 0.000 0.271 226 R C 0.046 176.312 176.300 -0.057 0.000 0.995 226 R CA 0.130 56.202 56.100 -0.047 0.000 1.158 226 R CB -0.378 29.902 30.300 -0.033 0.000 1.071 226 R HN 0.532 nan 8.270 nan 0.000 0.476 227 c N 0.282 118.832 118.600 -0.083 0.000 2.398 227 c HA 0.321 4.714 4.570 -0.294 0.000 0.364 227 c C 0.795 174.871 174.090 -0.023 0.000 1.219 227 c CA -0.843 55.432 56.329 -0.090 0.000 2.312 227 c CB 1.288 43.688 42.510 -0.184 0.000 2.428 227 c HN 0.419 nan 8.230 nan 0.000 0.564 228 V N 3.333 123.259 119.914 0.020 0.000 2.811 228 V HA 0.374 4.317 4.120 -0.294 0.000 0.302 228 V C 0.533 176.681 176.094 0.089 0.000 1.063 228 V CA 0.347 62.702 62.300 0.092 0.000 1.088 228 V CB 1.231 33.137 31.823 0.139 0.000 0.982 228 V HN 1.093 nan 8.190 nan 0.000 0.485 229 S N 4.078 119.859 115.700 0.135 0.000 2.600 229 S HA 0.889 5.182 4.470 -0.294 0.000 0.300 229 S C -0.853 173.888 174.600 0.235 0.000 1.087 229 S CA -0.763 57.485 58.200 0.080 0.000 0.965 229 S CB 1.983 65.174 63.200 -0.016 0.000 1.089 229 S HN 0.634 nan 8.310 nan 0.000 0.496 230 F N -1.105 118.907 119.950 0.103 0.000 2.598 230 F HA 1.036 5.386 4.527 -0.295 0.000 0.327 230 F C 0.133 176.011 175.800 0.130 0.000 1.057 230 F CA -0.583 57.507 58.000 0.151 0.000 0.957 230 F CB 1.317 40.365 39.000 0.081 0.000 1.278 230 F HN 1.025 nan 8.300 nan 0.000 0.484 231 G N 0.115 109.096 108.800 0.301 0.000 2.523 231 G HA2 0.418 4.201 3.960 -0.294 0.000 0.291 231 G HA3 0.418 4.201 3.960 -0.294 0.000 0.291 231 G C -0.788 174.272 174.900 0.267 0.000 1.450 231 G CA -0.341 44.858 45.100 0.165 0.000 0.790 231 G HN 0.731 nan 8.290 nan 0.000 0.496 232 V N 0.658 120.702 119.914 0.215 0.000 2.239 232 V HA -0.059 3.884 4.120 -0.294 0.000 0.242 232 V C 2.109 178.356 176.094 0.256 0.000 1.038 232 V CA 1.868 64.317 62.300 0.248 0.000 1.002 232 V CB -0.303 31.653 31.823 0.220 0.000 0.641 232 V HN 0.686 nan 8.190 nan 0.000 0.449 233 N N -0.017 118.789 118.700 0.177 0.000 2.325 233 N HA 0.188 4.751 4.740 -0.294 0.000 0.182 233 N C 0.412 175.944 175.510 0.035 0.000 1.088 233 N CA 0.362 53.498 53.050 0.143 0.000 0.879 233 N CB 0.575 39.118 38.487 0.094 0.000 0.983 233 N HN 0.583 nan 8.380 nan 0.000 0.471 234 M N -2.086 117.522 119.600 0.013 0.000 2.667 234 M HA 0.733 5.036 4.480 -0.294 0.000 0.286 234 M C -0.412 175.869 176.300 -0.031 0.000 1.270 234 M CA -0.715 54.528 55.300 -0.096 0.000 0.826 234 M CB 2.733 35.294 32.600 -0.065 0.000 1.743 234 M HN -0.055 nan 8.290 nan 0.000 0.460 235 G N 0.728 109.488 108.800 -0.065 0.000 2.428 235 G HA2 -0.042 3.742 3.960 -0.294 0.000 0.681 235 G HA3 -0.042 3.742 3.960 -0.294 0.000 0.681 235 G C -0.791 174.181 174.900 0.119 0.000 1.340 235 G CA -0.303 44.828 45.100 0.052 0.000 0.915 235 G HN 0.808 nan 8.290 nan 0.000 0.645 236 D N -0.718 119.790 120.400 0.180 0.000 2.178 236 D HA -0.018 4.445 4.640 -0.294 0.000 0.201 236 D C 0.377 176.793 176.300 0.194 0.000 0.980 236 D CA 1.722 55.827 54.000 0.174 0.000 0.842 236 D CB 0.024 40.955 40.800 0.219 0.000 0.948 236 D HN 0.340 nan 8.370 nan 0.000 0.472 237 Y N 0.337 120.786 120.300 0.248 0.000 2.341 237 Y HA 0.307 4.681 4.550 -0.294 0.000 0.338 237 Y C 0.617 176.703 175.900 0.311 0.000 0.965 237 Y CA -0.879 57.361 58.100 0.235 0.000 1.108 237 Y CB 1.242 39.818 38.460 0.194 0.000 1.180 237 Y HN -0.011 nan 8.280 nan 0.000 0.458 238 H N 1.760 120.949 119.070 0.199 0.000 2.990 238 H HA 0.560 4.939 4.556 -0.295 0.000 0.336 238 H C -1.793 173.600 175.328 0.109 0.000 1.306 238 H CA -1.171 54.974 56.048 0.161 0.000 1.118 238 H CB 0.850 30.681 29.762 0.115 0.000 1.856 238 H HN 0.584 nan 8.280 nan 0.000 0.538 239 L N 1.059 122.374 121.223 0.153 0.000 2.379 239 L HA 0.356 4.519 4.340 -0.294 0.000 0.269 239 L C 0.585 177.437 176.870 -0.030 0.000 1.084 239 L CA -0.607 54.221 54.840 -0.020 0.000 0.802 239 L CB 0.944 42.980 42.059 -0.038 0.000 1.175 239 L HN 0.637 nan 8.230 nan 0.000 0.448 240 N N 0.367 118.978 118.700 -0.148 0.000 2.461 240 N HA 0.256 4.820 4.740 -0.294 0.000 0.284 240 N C -1.357 174.108 175.510 -0.076 0.000 1.049 240 N CA -0.698 52.332 53.050 -0.032 0.000 0.889 240 N CB 0.920 39.391 38.487 -0.025 0.000 1.365 240 N HN 0.630 nan 8.380 nan 0.000 0.499 241 H N 1.790 120.938 119.070 0.129 0.000 2.787 241 H HA 0.248 4.627 4.556 -0.294 0.000 0.275 241 H C -0.260 175.140 175.328 0.120 0.000 1.183 241 H CA -0.259 55.864 56.048 0.124 0.000 1.290 241 H CB 0.915 30.733 29.762 0.094 0.000 1.438 241 H HN 0.437 nan 8.280 nan 0.000 0.487 246 T N 2.835 117.279 114.554 -0.184 0.000 2.841 246 T HA 0.563 4.737 4.350 -0.294 0.000 0.283 246 T C -1.343 173.111 174.700 -0.409 0.000 1.000 246 T CA -0.470 61.478 62.100 -0.253 0.000 0.977 246 T CB 0.526 69.204 68.868 -0.316 0.000 0.979 246 T HN 0.274 nan 8.240 nan 0.000 0.446 247 W N 2.335 123.463 121.300 -0.288 0.000 2.689 247 W HA 0.648 5.131 4.660 -0.295 0.000 0.340 247 W C -0.653 175.716 176.519 -0.251 0.000 1.060 247 W CA -1.063 56.139 57.345 -0.239 0.000 1.218 247 W CB 0.869 30.224 29.460 -0.174 0.000 1.410 247 W HN 0.385 nan 8.180 nan 0.000 0.528 248 L N 3.824 125.069 121.223 0.037 0.000 2.349 248 L HA 0.586 4.750 4.340 -0.294 0.000 0.275 248 L C 0.440 177.306 176.870 -0.007 0.000 1.115 248 L CA -0.594 54.248 54.840 0.003 0.000 0.820 248 L CB 0.291 42.359 42.059 0.015 0.000 1.135 248 L HN 0.368 nan 8.230 nan 0.000 0.445 249 R N 2.275 122.683 120.500 -0.155 0.000 2.744 249 R HA 0.683 4.846 4.340 -0.294 0.000 0.279 249 R C -1.450 174.677 176.300 -0.290 0.000 0.977 249 R CA -0.904 55.038 56.100 -0.263 0.000 0.906 249 R CB 2.844 32.832 30.300 -0.520 0.000 1.197 249 R HN 0.325 nan 8.270 nan 0.000 0.463 250 V N 2.935 122.699 119.914 -0.249 0.000 2.350 250 V HA 0.214 4.158 4.120 -0.294 0.000 0.285 250 V C 0.134 176.108 176.094 -0.200 0.000 1.014 250 V CA -0.904 61.183 62.300 -0.355 0.000 0.831 250 V CB 1.180 32.730 31.823 -0.455 0.000 1.000 250 V HN 0.750 nan 8.190 nan 0.000 0.433 251 K N 3.923 124.275 120.400 -0.080 0.000 3.148 251 K HA -0.256 3.887 4.320 -0.294 0.000 0.267 251 K C 1.162 177.790 176.600 0.047 0.000 0.996 251 K CA 0.639 56.940 56.287 0.024 0.000 0.737 251 K CB -1.500 30.974 32.500 -0.044 0.000 1.308 251 K HN 1.550 nan 8.250 nan 0.000 0.470 252 G N 0.114 108.980 108.800 0.109 0.000 2.253 252 G HA2 -0.371 3.412 3.960 -0.294 0.000 0.251 252 G HA3 -0.371 3.412 3.960 -0.294 0.000 0.251 252 G C -0.078 174.779 174.900 -0.072 0.000 0.998 252 G CA 0.482 45.602 45.100 0.034 0.000 0.621 252 G HN 0.532 nan 8.290 nan 0.000 0.524 253 E N 1.399 121.541 120.200 -0.096 0.000 2.259 253 E HA 0.437 4.611 4.350 -0.294 0.000 0.281 253 E C 0.286 176.798 176.600 -0.147 0.000 1.037 253 E CA -0.592 55.736 56.400 -0.120 0.000 0.854 253 E CB 0.291 29.935 29.700 -0.093 0.000 1.051 253 E HN 0.317 nan 8.360 nan 0.000 0.409 254 K N 2.981 123.270 120.400 -0.185 0.000 2.416 254 K HA 0.034 4.177 4.320 -0.294 0.000 0.283 254 K C 0.762 177.353 176.600 -0.014 0.000 1.037 254 K CA -0.078 56.112 56.287 -0.161 0.000 0.995 254 K CB 1.054 33.272 32.500 -0.469 0.000 0.938 254 K HN 0.462 nan 8.250 nan 0.000 0.475 255 V N 1.181 121.141 119.914 0.077 0.000 3.572 255 V HA 0.307 4.250 4.120 -0.294 0.000 0.260 255 V C -0.178 176.002 176.094 0.144 0.000 1.324 255 V CA -0.124 62.227 62.300 0.084 0.000 1.068 255 V CB 0.185 32.032 31.823 0.041 0.000 0.837 255 V HN 0.501 nan 8.190 nan 0.000 0.450 256 L N 1.722 123.072 121.223 0.211 0.000 2.611 256 L HA 0.577 4.740 4.340 -0.294 0.000 0.260 256 L C -1.283 175.544 176.870 -0.073 0.000 0.924 256 L CA -0.261 54.631 54.840 0.087 0.000 0.901 256 L CB 2.006 44.065 42.059 0.001 0.000 1.369 256 L HN 0.216 nan 8.230 nan 0.000 0.415 257 N N 2.954 121.345 118.700 -0.516 0.000 2.422 257 N HA 0.144 4.707 4.740 -0.294 0.000 0.264 257 N C 1.107 176.257 175.510 -0.601 0.000 1.063 257 N CA 0.267 52.637 53.050 -1.133 0.000 0.959 257 N CB 1.765 39.337 38.487 -1.524 0.000 1.087 257 N HN 0.636 nan 8.380 nan 0.000 0.483 258 V N 2.815 122.378 119.914 -0.585 0.000 3.026 258 V HA -0.185 3.758 4.120 -0.294 0.000 0.265 258 V C 1.818 177.745 176.094 -0.277 0.000 1.121 258 V CA 1.740 63.771 62.300 -0.449 0.000 1.142 258 V CB -0.890 30.429 31.823 -0.841 0.000 0.730 258 V HN 0.772 nan 8.190 nan 0.000 0.503 259 K N 0.267 120.488 120.400 -0.298 0.000 2.442 259 K HA -0.031 4.113 4.320 -0.294 0.000 0.198 259 K C 1.580 178.106 176.600 -0.124 0.000 1.042 259 K CA 1.310 57.494 56.287 -0.171 0.000 0.958 259 K CB -0.251 32.145 32.500 -0.173 0.000 0.766 259 K HN 0.446 nan 8.250 nan 0.000 0.474 260 E N 0.830 120.940 120.200 -0.149 0.000 2.435 260 E HA 0.063 4.236 4.350 -0.294 0.000 0.195 260 E C 0.459 177.034 176.600 -0.042 0.000 1.029 260 E CA 0.476 56.822 56.400 -0.090 0.000 0.865 260 E CB -0.038 29.604 29.700 -0.097 0.000 0.833 260 E HN 0.468 nan 8.360 nan 0.000 0.510 261 M N 0.529 120.112 119.600 -0.029 0.000 2.235 261 M HA 0.134 4.438 4.480 -0.294 0.000 0.351 261 M C 1.299 177.623 176.300 0.039 0.000 1.178 261 M CA 0.075 55.394 55.300 0.033 0.000 1.143 261 M CB 1.072 33.724 32.600 0.087 0.000 1.530 261 M HN -0.267 nan 8.290 nan 0.000 0.461 262 K N 1.625 122.049 120.400 0.040 0.000 2.228 262 K HA 0.140 4.283 4.320 -0.294 0.000 0.202 262 K C 0.259 176.868 176.600 0.014 0.000 1.051 262 K CA 0.648 56.944 56.287 0.015 0.000 0.960 262 K CB -0.000 32.490 32.500 -0.016 0.000 0.743 262 K HN 0.560 nan 8.250 nan 0.000 0.458 263 L N 1.223 122.468 121.223 0.037 0.000 2.453 263 L HA 0.076 4.239 4.340 -0.294 0.000 0.261 263 L C 0.623 177.493 176.870 -0.000 0.000 1.179 263 L CA -0.335 54.507 54.840 0.004 0.000 0.813 263 L CB 0.989 43.063 42.059 0.025 0.000 1.110 263 L HN 0.120 nan 8.230 nan 0.000 0.466 264 S N -0.497 115.126 115.700 -0.127 0.000 2.720 264 S HA 0.906 5.199 4.470 -0.294 0.000 0.287 264 S C -0.368 173.912 174.600 -0.534 0.000 1.168 264 S CA -0.271 57.792 58.200 -0.228 0.000 0.832 264 S CB 1.749 64.933 63.200 -0.026 0.000 1.166 264 S HN 1.297 nan 8.310 nan 0.000 0.493 265 G N 0.324 108.753 108.800 -0.619 0.000 2.895 265 G HA2 -0.106 3.678 3.960 -0.294 0.000 0.686 265 G HA3 -0.106 3.678 3.960 -0.294 0.000 0.686 265 G C 0.161 174.562 174.900 -0.831 0.000 1.108 265 G CA 0.150 44.943 45.100 -0.511 0.000 0.761 265 G HN 1.043 nan 8.290 nan 0.000 0.611 266 Q N 0.707 120.346 119.800 -0.269 0.000 2.133 266 Q HA -0.302 3.861 4.340 -0.294 0.000 0.208 266 Q C 2.262 178.241 176.000 -0.035 0.000 0.991 266 Q CA 3.033 58.830 55.803 -0.010 0.000 0.867 266 Q CB -0.178 28.660 28.738 0.168 0.000 0.911 266 Q HN 1.122 nan 8.270 nan 0.000 0.417 267 H N -1.434 117.560 119.070 -0.127 0.000 2.462 267 H HA 0.078 4.457 4.556 -0.295 0.000 0.292 267 H C 1.619 176.890 175.328 -0.094 0.000 1.049 267 H CA 1.153 57.163 56.048 -0.065 0.000 1.334 267 H CB -0.128 29.595 29.762 -0.064 0.000 1.404 267 H HN 0.218 nan 8.280 nan 0.000 0.544 268 N N 0.285 118.445 118.700 -0.901 0.000 2.244 268 N HA -0.137 4.426 4.740 -0.294 0.000 0.183 268 N C 0.950 176.336 175.510 -0.207 0.000 1.016 268 N CA 1.027 53.748 53.050 -0.548 0.000 0.866 268 N CB -0.254 37.895 38.487 -0.563 0.000 0.980 268 N HN 0.445 nan 8.380 nan 0.000 0.430 269 Y N 0.916 121.153 120.300 -0.105 0.000 2.263 269 Y HA -0.051 4.322 4.550 -0.295 0.000 0.292 269 Y C 2.672 178.557 175.900 -0.024 0.000 1.130 269 Y CA 1.122 59.193 58.100 -0.048 0.000 1.179 269 Y CB -1.317 37.134 38.460 -0.015 0.000 0.998 269 Y HN 0.155 nan 8.280 nan 0.000 0.532 270 T N -2.170 112.472 114.554 0.147 0.000 2.904 270 T HA -0.128 4.045 4.350 -0.294 0.000 0.267 270 T C 1.697 176.308 174.700 -0.148 0.000 1.059 270 T CA 1.264 63.430 62.100 0.109 0.000 1.137 270 T CB -0.415 68.622 68.868 0.282 0.000 0.879 270 T HN 0.171 nan 8.240 nan 0.000 0.467 271 N N 2.496 121.120 118.700 -0.128 0.000 2.104 271 N HA -0.015 4.548 4.740 -0.294 0.000 0.190 271 N C 2.251 177.632 175.510 -0.215 0.000 1.024 271 N CA 1.650 54.579 53.050 -0.201 0.000 0.853 271 N CB -0.868 37.541 38.487 -0.130 0.000 1.008 271 N HN 0.633 nan 8.380 nan 0.000 0.424 272 A N 1.342 124.094 122.820 -0.113 0.000 1.902 272 A HA -0.059 4.084 4.320 -0.294 0.000 0.217 272 A C 2.411 179.931 177.584 -0.105 0.000 1.181 272 A CA 0.919 52.909 52.037 -0.078 0.000 0.623 272 A CB -0.739 18.273 19.000 0.020 0.000 0.818 272 A HN 0.219 nan 8.150 nan 0.000 0.443 273 L N -0.848 120.315 121.223 -0.099 0.000 2.042 273 L HA -0.224 3.940 4.340 -0.294 0.000 0.210 273 L C 3.102 179.763 176.870 -0.349 0.000 1.076 273 L CA 1.230 56.016 54.840 -0.090 0.000 0.749 273 L CB -0.644 41.458 42.059 0.073 0.000 0.893 273 L HN 0.450 nan 8.230 nan 0.000 0.432 274 A N -0.026 122.406 122.820 -0.646 0.000 1.898 274 A HA -0.102 4.041 4.320 -0.294 0.000 0.216 274 A C 2.560 179.892 177.584 -0.420 0.000 1.181 274 A CA 1.549 53.113 52.037 -0.788 0.000 0.620 274 A CB -0.694 17.626 19.000 -1.133 0.000 0.819 274 A HN 0.383 nan 8.150 nan 0.000 0.442 275 A N -0.430 122.195 122.820 -0.325 0.000 1.883 275 A HA -0.108 4.035 4.320 -0.294 0.000 0.217 275 A C 2.150 179.626 177.584 -0.179 0.000 1.186 275 A CA 1.824 53.731 52.037 -0.218 0.000 0.624 275 A CB -0.705 18.178 19.000 -0.196 0.000 0.822 275 A HN 0.597 nan 8.150 nan 0.000 0.444 276 L N -0.372 120.750 121.223 -0.168 0.000 2.042 276 L HA -0.114 4.049 4.340 -0.294 0.000 0.210 276 L C 2.771 179.545 176.870 -0.159 0.000 1.076 276 L CA 2.155 56.941 54.840 -0.089 0.000 0.749 276 L CB -0.621 41.458 42.059 0.033 0.000 0.893 276 L HN 0.368 nan 8.230 nan 0.000 0.432 277 A N -0.963 121.578 122.820 -0.465 0.000 1.933 277 A HA -0.146 3.997 4.320 -0.294 0.000 0.218 277 A C 2.224 179.674 177.584 -0.224 0.000 1.175 277 A CA 1.872 53.510 52.037 -0.665 0.000 0.628 277 A CB -0.744 17.635 19.000 -1.034 0.000 0.814 277 A HN 0.479 nan 8.150 nan 0.000 0.444 278 L N -0.938 120.180 121.223 -0.175 0.000 2.044 278 L HA -0.103 4.060 4.340 -0.294 0.000 0.205 278 L C 3.116 179.959 176.870 -0.044 0.000 1.075 278 L CA 0.934 55.725 54.840 -0.080 0.000 0.747 278 L CB -0.604 41.409 42.059 -0.077 0.000 0.903 278 L HN 0.395 nan 8.230 nan 0.000 0.435 279 A N 0.200 122.988 122.820 -0.053 0.000 1.892 279 A HA -0.296 3.847 4.320 -0.294 0.000 0.218 279 A C 1.937 179.525 177.584 0.006 0.000 1.188 279 A CA 2.320 54.343 52.037 -0.023 0.000 0.631 279 A CB -0.740 18.243 19.000 -0.028 0.000 0.822 279 A HN 0.384 nan 8.150 nan 0.000 0.447 280 D N -0.072 120.343 120.400 0.025 0.000 2.106 280 D HA -0.131 4.332 4.640 -0.294 0.000 0.191 280 D C 2.246 178.578 176.300 0.054 0.000 0.997 280 D CA 1.865 55.904 54.000 0.066 0.000 0.834 280 D CB -0.610 40.279 40.800 0.148 0.000 0.956 280 D HN 0.445 nan 8.370 nan 0.000 0.448 281 A N 0.706 123.552 122.820 0.044 0.000 1.978 281 A HA -0.051 4.092 4.320 -0.294 0.000 0.220 281 A C 2.151 179.755 177.584 0.033 0.000 1.170 281 A CA 2.025 54.087 52.037 0.042 0.000 0.636 281 A CB -0.550 18.472 19.000 0.037 0.000 0.810 281 A HN 0.243 nan 8.150 nan 0.000 0.448 282 A N -1.901 120.933 122.820 0.024 0.000 2.235 282 A HA 0.404 4.547 4.320 -0.294 0.000 0.208 282 A C 1.794 179.389 177.584 0.018 0.000 1.172 282 A CA 1.195 53.245 52.037 0.021 0.000 0.786 282 A CB -0.969 18.040 19.000 0.015 0.000 0.804 282 A HN 1.884 nan 8.150 nan 0.000 0.479 283 G N -1.401 107.412 108.800 0.022 0.000 2.176 283 G HA2 -0.212 3.571 3.960 -0.294 0.000 0.253 283 G HA3 -0.212 3.571 3.960 -0.294 0.000 0.253 283 G C 0.113 175.022 174.900 0.014 0.000 0.979 283 G CA 0.215 45.326 45.100 0.019 0.000 0.641 283 G HN 0.434 nan 8.290 nan 0.000 0.530 284 L N 1.321 122.552 121.223 0.012 0.000 2.426 284 L HA 0.381 4.544 4.340 -0.294 0.000 0.271 284 L C -1.554 175.324 176.870 0.013 0.000 1.169 284 L CA -1.875 52.970 54.840 0.008 0.000 0.836 284 L CB 0.466 42.526 42.059 0.001 0.000 1.112 284 L HN -0.077 nan 8.230 nan 0.000 0.465 285 P HA 0.086 nan 4.420 nan 0.000 0.268 285 P C 0.132 177.442 177.300 0.017 0.000 1.204 285 P CA -0.236 62.872 63.100 0.014 0.000 0.768 285 P CB 0.643 32.348 31.700 0.010 0.000 0.842 286 R N 2.882 123.395 120.500 0.022 0.000 2.115 286 R HA -0.125 4.039 4.340 -0.294 0.000 0.230 286 R C 1.842 178.156 176.300 0.023 0.000 1.111 286 R CA 1.592 57.708 56.100 0.028 0.000 0.976 286 R CB -0.537 29.783 30.300 0.034 0.000 0.870 286 R HN 0.574 nan 8.270 nan 0.000 0.445 287 A N 0.300 123.131 122.820 0.018 0.000 1.877 287 A HA -0.176 3.967 4.320 -0.294 0.000 0.216 287 A C 2.133 179.726 177.584 0.014 0.000 1.186 287 A CA 1.940 53.987 52.037 0.017 0.000 0.620 287 A CB -0.671 18.338 19.000 0.014 0.000 0.822 287 A HN 0.544 nan 8.150 nan 0.000 0.443 288 S N -0.496 115.211 115.700 0.012 0.000 2.383 288 S HA -0.105 4.188 4.470 -0.294 0.000 0.227 288 S C 2.027 176.632 174.600 0.007 0.000 1.026 288 S CA 1.409 59.614 58.200 0.009 0.000 0.981 288 S CB -0.648 62.556 63.200 0.006 0.000 0.818 288 S HN 0.416 nan 8.310 nan 0.000 0.472 289 S N 2.416 118.120 115.700 0.006 0.000 2.359 289 S HA 0.032 4.326 4.470 -0.294 0.000 0.224 289 S C 1.783 176.385 174.600 0.004 0.000 1.035 289 S CA 1.572 59.772 58.200 0.001 0.000 1.018 289 S CB -0.614 62.590 63.200 0.006 0.000 0.876 289 S HN 0.485 nan 8.310 nan 0.000 0.448 290 L N 1.188 122.420 121.223 0.014 0.000 2.217 290 L HA -0.042 4.121 4.340 -0.294 0.000 0.211 290 L C 2.491 179.369 176.870 0.014 0.000 1.107 290 L CA 1.029 55.878 54.840 0.016 0.000 0.783 290 L CB -0.428 41.644 42.059 0.022 0.000 0.919 290 L HN 0.292 nan 8.230 nan 0.000 0.442 291 K N 1.027 121.435 120.400 0.014 0.000 2.057 291 K HA -0.162 3.981 4.320 -0.294 0.000 0.206 291 K C 2.152 178.767 176.600 0.024 0.000 1.050 291 K CA 1.309 57.606 56.287 0.017 0.000 0.935 291 K CB -0.072 32.437 32.500 0.015 0.000 0.715 291 K HN 0.223 nan 8.250 nan 0.000 0.439 292 A N 1.543 124.375 122.820 0.021 0.000 1.972 292 A HA -0.100 4.044 4.320 -0.294 0.000 0.219 292 A C 2.089 179.702 177.584 0.050 0.000 1.169 292 A CA 1.142 53.196 52.037 0.029 0.000 0.635 292 A CB -0.562 18.438 19.000 0.000 0.000 0.810 292 A HN 0.356 nan 8.150 nan 0.000 0.446 293 L N -0.076 121.166 121.223 0.031 0.000 2.191 293 L HA -0.154 4.010 4.340 -0.294 0.000 0.212 293 L C 2.734 179.651 176.870 0.078 0.000 1.103 293 L CA 1.723 56.593 54.840 0.050 0.000 0.769 293 L CB -0.538 41.535 42.059 0.024 0.000 0.908 293 L HN 0.683 nan 8.230 nan 0.000 0.438 294 T N -6.049 108.538 114.554 0.055 0.000 3.065 294 T HA -0.028 4.145 4.350 -0.294 0.000 0.252 294 T C 1.616 176.349 174.700 0.055 0.000 1.099 294 T CA 0.757 62.882 62.100 0.041 0.000 1.063 294 T CB -0.155 68.722 68.868 0.015 0.000 0.948 294 T HN 0.375 nan 8.240 nan 0.000 0.506 295 T N -1.342 113.260 114.554 0.080 0.000 3.037 295 T HA 0.300 4.473 4.350 -0.294 0.000 0.252 295 T C 0.323 175.091 174.700 0.113 0.000 1.073 295 T CA -0.595 61.552 62.100 0.078 0.000 1.091 295 T CB -0.625 68.285 68.868 0.070 0.000 0.935 295 T HN 0.267 nan 8.240 nan 0.000 0.488 296 F N 4.643 124.593 119.950 -0.000 0.000 2.541 296 F HA 0.334 4.685 4.527 -0.294 0.000 0.378 296 F C 1.461 177.262 175.800 0.003 0.000 1.068 296 F CA -0.388 57.612 58.000 0.001 0.000 1.199 296 F CB 0.993 39.991 39.000 -0.003 0.000 1.091 296 F HN 0.170 nan 8.300 nan 0.000 0.555 297 T N 2.162 116.370 114.554 -0.578 0.000 3.060 297 T HA 0.526 4.700 4.350 -0.294 0.000 0.249 297 T C 0.737 175.053 174.700 -0.641 0.000 1.079 297 T CA 0.186 62.011 62.100 -0.460 0.000 1.013 297 T CB -0.644 68.070 68.868 -0.256 0.000 0.975 297 T HN 1.318 nan 8.240 nan 0.000 0.518 298 G N 0.754 108.742 108.800 -1.353 0.000 2.515 298 G HA2 0.106 3.890 3.960 -0.294 0.000 0.686 298 G HA3 0.106 3.890 3.960 -0.294 0.000 0.686 298 G C -1.190 173.453 174.900 -0.429 0.000 1.274 298 G CA -0.993 43.662 45.100 -0.742 0.000 0.874 298 G HN 0.444 nan 8.290 nan 0.000 0.631 299 L N 1.796 122.985 121.223 -0.056 0.000 2.360 299 L HA 0.545 4.708 4.340 -0.294 0.000 0.271 299 L C -1.483 175.403 176.870 0.028 0.000 1.057 299 L CA -2.019 52.861 54.840 0.066 0.000 0.803 299 L CB 1.759 43.937 42.059 0.198 0.000 1.207 299 L HN 0.445 nan 8.230 nan 0.000 0.445 300 P HA 0.054 nan 4.420 nan 0.000 0.272 300 P C -0.461 176.797 177.300 -0.070 0.000 1.223 300 P CA 0.221 63.226 63.100 -0.158 0.000 0.784 300 P CB 0.374 31.884 31.700 -0.316 0.000 0.923 301 H N -1.887 117.246 119.070 0.105 0.000 3.415 301 H HA -0.154 4.226 4.556 -0.295 0.000 0.213 301 H C -0.203 175.188 175.328 0.105 0.000 1.091 301 H CA 0.738 56.865 56.048 0.132 0.000 1.182 301 H CB -1.596 28.342 29.762 0.293 0.000 1.160 301 H HN 0.439 nan 8.280 nan 0.000 0.319 302 R N -0.017 120.588 120.500 0.174 0.000 2.332 302 R HA 0.289 4.452 4.340 -0.294 0.000 0.306 302 R C -0.173 176.251 176.300 0.206 0.000 1.117 302 R CA -0.616 55.585 56.100 0.169 0.000 1.108 302 R CB -0.440 29.956 30.300 0.160 0.000 1.126 302 R HN 0.215 nan 8.270 nan 0.000 0.548 303 F N 0.460 120.430 119.950 0.033 0.000 3.004 303 F HA -0.319 4.031 4.527 -0.295 0.000 0.264 303 F C 0.047 175.863 175.800 0.027 0.000 0.979 303 F CA 0.875 58.889 58.000 0.025 0.000 0.896 303 F CB -0.240 38.782 39.000 0.036 0.000 0.813 303 F HN 0.505 nan 8.300 nan 0.000 0.804 304 E N 0.941 121.136 120.200 -0.009 0.000 2.200 304 E HA 0.410 4.583 4.350 -0.294 0.000 0.283 304 E C -0.473 176.114 176.600 -0.022 0.000 1.015 304 E CA -0.611 55.790 56.400 0.001 0.000 0.819 304 E CB 1.106 30.795 29.700 -0.019 0.000 1.081 304 E HN 0.120 nan 8.360 nan 0.000 0.397 305 V N 6.577 126.502 119.914 0.018 0.000 2.370 305 V HA -0.011 3.932 4.120 -0.294 0.000 0.257 305 V C 1.338 177.467 176.094 0.059 0.000 1.064 305 V CA -0.100 62.230 62.300 0.049 0.000 0.975 305 V CB 0.357 32.223 31.823 0.071 0.000 1.067 305 V HN 0.685 nan 8.190 nan 0.000 0.485 306 V N 2.985 122.958 119.914 0.098 0.000 3.052 306 V HA 0.337 4.280 4.120 -0.294 0.000 0.254 306 V C 0.309 176.410 176.094 0.013 0.000 1.100 306 V CA 0.658 62.989 62.300 0.052 0.000 1.112 306 V CB 0.177 32.044 31.823 0.074 0.000 0.738 306 V HN 0.559 nan 8.190 nan 0.000 0.469 307 L N 0.815 122.084 121.223 0.076 0.000 2.588 307 L HA 0.619 4.782 4.340 -0.294 0.000 0.263 307 L C -1.156 175.840 176.870 0.210 0.000 0.935 307 L CA -0.535 54.335 54.840 0.050 0.000 0.891 307 L CB 1.986 43.961 42.059 -0.140 0.000 1.318 307 L HN 0.356 nan 8.230 nan 0.000 0.409 308 E N 4.811 125.116 120.200 0.175 0.000 2.182 308 E HA 0.483 4.657 4.350 -0.294 0.000 0.258 308 E C -1.699 175.050 176.600 0.250 0.000 0.879 308 E CA -0.462 56.066 56.400 0.212 0.000 0.754 308 E CB 0.770 30.555 29.700 0.143 0.000 1.162 308 E HN 0.743 nan 8.360 nan 0.000 0.419 309 H N 4.390 123.542 119.070 0.136 0.000 3.123 309 H HA 0.152 4.532 4.556 -0.294 0.000 0.346 309 H C -0.622 174.774 175.328 0.113 0.000 1.138 309 H CA -0.488 55.617 56.048 0.096 0.000 1.273 309 H CB 1.013 30.810 29.762 0.058 0.000 1.926 309 H HN 0.692 nan 8.280 nan 0.000 0.524 310 N N 2.310 120.790 118.700 -0.367 0.000 2.747 310 N HA -0.169 4.394 4.740 -0.294 0.000 0.249 310 N C 0.952 176.427 175.510 -0.058 0.000 1.107 310 N CA 1.853 54.751 53.050 -0.253 0.000 0.707 310 N CB -1.422 36.947 38.487 -0.197 0.000 1.054 310 N HN 1.061 nan 8.380 nan 0.000 0.555 311 G N -2.738 106.049 108.800 -0.022 0.000 2.162 311 G HA2 -0.285 3.498 3.960 -0.294 0.000 0.260 311 G HA3 -0.285 3.498 3.960 -0.294 0.000 0.260 311 G C -0.109 174.810 174.900 0.032 0.000 0.976 311 G CA 0.423 45.530 45.100 0.012 0.000 0.655 311 G HN 0.608 nan 8.290 nan 0.000 0.533 312 V N 0.519 120.474 119.914 0.069 0.000 2.540 312 V HA 0.611 4.555 4.120 -0.294 0.000 0.302 312 V C 0.368 176.533 176.094 0.117 0.000 1.035 312 V CA -0.983 61.341 62.300 0.039 0.000 0.873 312 V CB 1.756 33.588 31.823 0.016 0.000 0.992 312 V HN 0.332 nan 8.190 nan 0.000 0.428 313 R N 3.377 123.895 120.500 0.031 0.000 2.255 313 R HA 0.415 4.579 4.340 -0.294 0.000 0.326 313 R C -1.692 174.631 176.300 0.037 0.000 0.986 313 R CA -0.380 55.784 56.100 0.108 0.000 0.847 313 R CB 1.391 31.736 30.300 0.074 0.000 1.111 313 R HN 0.627 nan 8.270 nan 0.000 0.452 314 W N 4.913 126.247 121.300 0.056 0.000 2.294 314 W HA 0.415 4.898 4.660 -0.295 0.000 0.314 314 W C -0.279 176.329 176.519 0.149 0.000 1.044 314 W CA -0.424 56.994 57.345 0.121 0.000 1.284 314 W CB 0.563 30.042 29.460 0.032 0.000 1.231 314 W HN 0.332 nan 8.180 nan 0.000 0.419 315 I N 3.927 124.634 120.570 0.228 0.000 2.312 315 I HA 0.100 4.093 4.170 -0.294 0.000 0.290 315 I C 0.386 176.397 176.117 -0.177 0.000 1.008 315 I CA -0.809 60.439 61.300 -0.087 0.000 1.226 315 I CB 0.857 38.526 38.000 -0.551 0.000 1.371 315 I HN 0.281 nan 8.210 nan 0.000 0.468 316 N N 5.221 123.873 118.700 -0.081 0.000 2.508 316 N HA -0.002 4.561 4.740 -0.294 0.000 0.253 316 N C -0.315 175.093 175.510 -0.170 0.000 1.145 316 N CA 0.140 53.068 53.050 -0.203 0.000 0.973 316 N CB 0.275 38.816 38.487 0.090 0.000 1.305 316 N HN 0.458 nan 8.380 nan 0.000 0.506 317 D N 1.219 121.471 120.400 -0.247 0.000 2.895 317 D HA 0.126 4.589 4.640 -0.294 0.000 0.258 317 D C 1.070 177.329 176.300 -0.068 0.000 1.311 317 D CA -0.076 53.864 54.000 -0.099 0.000 0.843 317 D CB 0.062 40.817 40.800 -0.075 0.000 1.055 317 D HN 0.358 nan 8.370 nan 0.000 0.486 318 S N 0.559 116.242 115.700 -0.028 0.000 2.419 318 S HA -0.235 4.059 4.470 -0.294 0.000 0.235 318 S C 1.861 176.449 174.600 -0.019 0.000 1.019 318 S CA 1.627 59.828 58.200 0.002 0.000 0.982 318 S CB -0.048 63.196 63.200 0.073 0.000 0.789 318 S HN 0.441 nan 8.310 nan 0.000 0.490 319 K N 1.614 121.977 120.400 -0.062 0.000 2.442 319 K HA 0.192 4.335 4.320 -0.294 0.000 0.198 319 K C 0.678 177.089 176.600 -0.315 0.000 1.042 319 K CA 1.058 57.073 56.287 -0.454 0.000 0.958 319 K CB -0.708 31.603 32.500 -0.314 0.000 0.766 319 K HN 0.224 nan 8.250 nan 0.000 0.474 320 A N 1.855 124.584 122.820 -0.152 0.000 2.770 320 A HA 0.093 4.236 4.320 -0.294 0.000 0.292 320 A C 0.622 178.136 177.584 -0.117 0.000 1.604 320 A CA 0.255 52.223 52.037 -0.115 0.000 1.271 320 A CB -0.845 18.113 19.000 -0.070 0.000 1.075 320 A HN 0.490 nan 8.150 nan 0.000 0.573 321 T N -1.171 113.300 114.554 -0.138 0.000 3.134 321 T HA 0.278 4.452 4.350 -0.294 0.000 0.260 321 T C 0.186 174.839 174.700 -0.079 0.000 1.027 321 T CA 0.029 62.069 62.100 -0.101 0.000 0.913 321 T CB -0.721 68.079 68.868 -0.113 0.000 1.046 321 T HN 0.791 nan 8.240 nan 0.000 0.553 322 N N -1.347 117.312 118.700 -0.069 0.000 2.825 322 N HA 0.341 4.904 4.740 -0.294 0.000 0.253 322 N C 0.356 175.860 175.510 -0.009 0.000 1.426 322 N CA -0.942 52.078 53.050 -0.051 0.000 0.851 322 N CB 1.039 39.460 38.487 -0.110 0.000 1.470 322 N HN -0.191 nan 8.380 nan 0.000 0.517 323 V N 0.228 120.158 119.914 0.027 0.000 2.358 323 V HA -0.019 3.924 4.120 -0.294 0.000 0.246 323 V C 2.349 178.450 176.094 0.013 0.000 1.047 323 V CA 2.435 64.771 62.300 0.060 0.000 1.035 323 V CB -1.311 30.570 31.823 0.097 0.000 0.658 323 V HN 0.888 nan 8.190 nan 0.000 0.452 324 G N -1.026 107.773 108.800 -0.001 0.000 2.505 324 G HA2 -0.347 3.436 3.960 -0.294 0.000 0.220 324 G HA3 -0.347 3.436 3.960 -0.294 0.000 0.220 324 G C 1.946 176.813 174.900 -0.056 0.000 1.145 324 G CA 1.482 46.573 45.100 -0.015 0.000 0.761 324 G HN 0.487 nan 8.290 nan 0.000 0.571 325 S N -0.502 115.161 115.700 -0.061 0.000 2.371 325 S HA -0.076 4.217 4.470 -0.294 0.000 0.224 325 S C 2.581 177.115 174.600 -0.111 0.000 1.029 325 S CA 1.919 60.066 58.200 -0.088 0.000 0.978 325 S CB -0.481 62.674 63.200 -0.074 0.000 0.833 325 S HN 0.416 nan 8.310 nan 0.000 0.466 326 T N 1.625 116.126 114.554 -0.088 0.000 2.746 326 T HA -0.121 4.052 4.350 -0.294 0.000 0.267 326 T C 1.734 176.324 174.700 -0.183 0.000 1.039 326 T CA 1.576 63.616 62.100 -0.100 0.000 1.142 326 T CB -0.416 68.410 68.868 -0.071 0.000 0.866 326 T HN 0.584 nan 8.240 nan 0.000 0.444 327 E N 0.964 121.049 120.200 -0.192 0.000 2.085 327 E HA -0.182 3.991 4.350 -0.294 0.000 0.194 327 E C 2.360 178.738 176.600 -0.370 0.000 0.994 327 E CA 1.128 57.328 56.400 -0.334 0.000 0.801 327 E CB -0.233 29.383 29.700 -0.140 0.000 0.743 327 E HN 0.497 nan 8.360 nan 0.000 0.453 328 A N 0.850 123.495 122.820 -0.293 0.000 1.972 328 A HA -0.091 4.052 4.320 -0.294 0.000 0.219 328 A C 2.308 179.628 177.584 -0.440 0.000 1.169 328 A CA 1.744 53.535 52.037 -0.411 0.000 0.635 328 A CB -0.570 18.106 19.000 -0.540 0.000 0.810 328 A HN 0.421 nan 8.150 nan 0.000 0.446 329 A N -0.690 121.952 122.820 -0.297 0.000 1.970 329 A HA 0.193 4.336 4.320 -0.294 0.000 0.216 329 A C 2.062 179.549 177.584 -0.162 0.000 1.170 329 A CA 1.161 53.091 52.037 -0.179 0.000 0.645 329 A CB -0.328 18.739 19.000 0.113 0.000 0.816 329 A HN 0.447 nan 8.150 nan 0.000 0.447 330 L N -0.819 120.243 121.223 -0.267 0.000 2.249 330 L HA 0.040 4.203 4.340 -0.294 0.000 0.207 330 L C 0.853 177.536 176.870 -0.312 0.000 1.090 330 L CA 0.116 54.784 54.840 -0.285 0.000 0.802 330 L CB -0.532 41.286 42.059 -0.402 0.000 0.947 330 L HN 0.346 nan 8.230 nan 0.000 0.453 331 N N 1.235 119.668 118.700 -0.444 0.000 2.412 331 N HA 0.145 4.708 4.740 -0.294 0.000 0.279 331 N C 0.846 176.333 175.510 -0.038 0.000 1.287 331 N CA 1.064 54.015 53.050 -0.164 0.000 0.948 331 N CB 0.211 38.628 38.487 -0.118 0.000 1.255 331 N HN 0.358 nan 8.380 nan 0.000 0.485 332 G N 2.446 111.272 108.800 0.044 0.000 2.132 332 G HA2 -0.267 3.517 3.960 -0.294 0.000 0.234 332 G HA3 -0.267 3.517 3.960 -0.294 0.000 0.234 332 G C -0.109 174.813 174.900 0.037 0.000 0.989 332 G CA 0.151 45.278 45.100 0.045 0.000 0.676 332 G HN 0.656 nan 8.290 nan 0.000 0.522 333 L N 1.073 122.311 121.223 0.025 0.000 2.367 333 L HA 0.727 4.890 4.340 -0.294 0.000 0.275 333 L C 0.384 177.306 176.870 0.087 0.000 1.129 333 L CA -1.029 53.833 54.840 0.037 0.000 0.839 333 L CB 0.656 42.732 42.059 0.027 0.000 1.133 333 L HN 0.337 nan 8.230 nan 0.000 0.453 334 H N 4.157 123.249 119.070 0.036 0.000 2.556 334 H HA 0.618 4.998 4.556 -0.295 0.000 0.310 334 H C -1.433 173.923 175.328 0.046 0.000 1.057 334 H CA -0.562 55.509 56.048 0.038 0.000 1.264 334 H CB 0.960 30.743 29.762 0.035 0.000 1.404 334 H HN 0.439 nan 8.280 nan 0.000 0.462 335 V N 6.173 125.746 119.914 -0.568 0.000 2.487 335 V HA 0.099 4.042 4.120 -0.294 0.000 0.298 335 V C 0.448 176.230 176.094 -0.519 0.000 1.028 335 V CA -0.763 61.273 62.300 -0.441 0.000 0.860 335 V CB 1.851 33.562 31.823 -0.185 0.000 0.991 335 V HN 0.899 nan 8.190 nan 0.000 0.427 336 D N 3.363 123.549 120.400 -0.358 0.000 2.084 336 D HA -0.051 4.412 4.640 -0.294 0.000 0.194 336 D C 1.371 177.616 176.300 -0.091 0.000 0.990 336 D CA 1.924 55.836 54.000 -0.148 0.000 0.826 336 D CB 0.337 41.136 40.800 -0.002 0.000 0.971 336 D HN 0.706 nan 8.370 nan 0.000 0.453 337 G N -0.480 108.272 108.800 -0.081 0.000 3.157 337 G HA2 0.210 3.993 3.960 -0.294 0.000 0.206 337 G HA3 0.210 3.993 3.960 -0.294 0.000 0.206 337 G C -0.219 174.626 174.900 -0.091 0.000 1.903 337 G CA -0.054 45.010 45.100 -0.060 0.000 0.771 337 G HN 0.051 nan 8.290 nan 0.000 0.750 338 T N 0.891 115.381 114.554 -0.106 0.000 2.829 338 T HA 0.459 4.632 4.350 -0.294 0.000 0.282 338 T C -0.807 173.723 174.700 -0.284 0.000 0.990 338 T CA -0.196 61.779 62.100 -0.208 0.000 1.028 338 T CB 1.633 70.344 68.868 -0.261 0.000 0.951 338 T HN 0.301 nan 8.240 nan 0.000 0.460 339 L N 5.330 126.398 121.223 -0.258 0.000 2.278 339 L HA 0.299 4.462 4.340 -0.294 0.000 0.287 339 L C -0.360 176.357 176.870 -0.254 0.000 1.072 339 L CA -0.113 54.613 54.840 -0.191 0.000 0.819 339 L CB 0.007 42.013 42.059 -0.088 0.000 1.176 339 L HN 0.622 nan 8.230 nan 0.000 0.435 340 H N 6.519 125.613 119.070 0.040 0.000 2.685 340 H HA 0.275 4.654 4.556 -0.295 0.000 0.286 340 H C -0.799 174.632 175.328 0.170 0.000 1.102 340 H CA -0.746 55.425 56.048 0.204 0.000 1.254 340 H CB 1.393 31.214 29.762 0.099 0.000 1.397 340 H HN 0.445 nan 8.280 nan 0.000 0.473 341 L N 5.004 126.387 121.223 0.266 0.000 2.257 341 L HA 0.277 4.440 4.340 -0.294 0.000 0.290 341 L C -0.877 176.146 176.870 0.255 0.000 1.044 341 L CA -0.467 54.474 54.840 0.168 0.000 0.810 341 L CB 0.641 42.738 42.059 0.064 0.000 1.193 341 L HN 0.406 nan 8.230 nan 0.000 0.425 342 L N 6.492 127.849 121.223 0.223 0.000 2.290 342 L HA 0.450 4.613 4.340 -0.294 0.000 0.284 342 L C -0.430 176.548 176.870 0.180 0.000 1.078 342 L CA 0.183 55.200 54.840 0.295 0.000 0.815 342 L CB 0.790 43.034 42.059 0.309 0.000 1.162 342 L HN 0.541 nan 8.230 nan 0.000 0.435 343 L N 3.021 124.315 121.223 0.119 0.000 2.370 343 L HA 0.983 5.147 4.340 -0.294 0.000 0.266 343 L C 0.109 176.693 176.870 -0.477 0.000 1.002 343 L CA -0.629 54.123 54.840 -0.146 0.000 0.818 343 L CB 2.194 44.138 42.059 -0.192 0.000 1.325 343 L HN 0.727 nan 8.230 nan 0.000 0.418 344 G N 0.376 108.765 108.800 -0.685 0.000 2.352 344 G HA2 0.494 4.277 3.960 -0.294 0.000 0.305 344 G HA3 0.494 4.277 3.960 -0.294 0.000 0.305 344 G C -0.638 173.827 174.900 -0.725 0.000 1.537 344 G CA 0.276 44.740 45.100 -1.059 0.000 0.959 344 G HN 1.138 nan 8.290 nan 0.000 0.668 345 G N 0.118 108.668 108.800 -0.416 0.000 2.301 345 G HA2 0.405 4.188 3.960 -0.294 0.000 0.194 345 G HA3 0.405 4.188 3.960 -0.294 0.000 0.194 345 G C -1.150 173.749 174.900 -0.003 0.000 1.266 345 G CA 0.760 45.810 45.100 -0.083 0.000 1.210 345 G HN 1.732 nan 8.290 nan 0.000 0.524 346 D N 1.193 121.626 120.400 0.055 0.000 2.443 346 D HA 0.536 4.999 4.640 -0.294 0.000 0.221 346 D C 1.420 177.775 176.300 0.091 0.000 1.097 346 D CA 0.644 54.688 54.000 0.075 0.000 0.865 346 D CB 0.548 41.399 40.800 0.085 0.000 1.034 346 D HN 0.898 nan 8.370 nan 0.000 0.511 347 G N 2.886 111.773 108.800 0.145 0.000 2.776 347 G HA2 -0.151 3.632 3.960 -0.294 0.000 0.209 347 G HA3 -0.151 3.632 3.960 -0.294 0.000 0.209 347 G C 0.685 175.603 174.900 0.029 0.000 1.145 347 G CA -0.181 45.056 45.100 0.229 0.000 0.791 347 G HN 0.704 nan 8.290 nan 0.000 0.530 348 K N -0.405 120.004 120.400 0.016 0.000 3.035 348 K HA -0.215 3.928 4.320 -0.294 0.000 0.262 348 K C 0.938 177.495 176.600 -0.072 0.000 1.024 348 K CA 0.390 56.669 56.287 -0.013 0.000 0.748 348 K CB -1.722 30.772 32.500 -0.009 0.000 1.247 348 K HN 0.267 nan 8.250 nan 0.000 0.482 349 S N -2.925 112.714 115.700 -0.102 0.000 3.521 349 S HA -0.263 4.030 4.470 -0.294 0.000 0.328 349 S C 0.389 174.841 174.600 -0.246 0.000 1.165 349 S CA 0.749 58.857 58.200 -0.152 0.000 0.941 349 S CB -1.117 62.026 63.200 -0.095 0.000 0.951 349 S HN 0.775 nan 8.310 nan 0.000 0.539 350 A N 1.069 123.664 122.820 -0.375 0.000 2.386 350 A HA 0.464 4.607 4.320 -0.294 0.000 0.248 350 A C 0.264 177.464 177.584 -0.641 0.000 1.082 350 A CA -0.092 51.669 52.037 -0.460 0.000 0.789 350 A CB 0.267 19.013 19.000 -0.423 0.000 1.025 350 A HN 0.355 nan 8.150 nan 0.000 0.490 351 D N 1.366 121.535 120.400 -0.385 0.000 2.352 351 D HA 0.286 4.749 4.640 -0.294 0.000 0.245 351 D C 0.129 176.292 176.300 -0.229 0.000 1.224 351 D CA -0.235 53.587 54.000 -0.297 0.000 0.879 351 D CB -0.222 40.498 40.800 -0.134 0.000 1.057 351 D HN 0.291 nan 8.370 nan 0.000 0.491 352 F N 1.854 121.792 119.950 -0.019 0.000 2.451 352 F HA -0.085 4.265 4.527 -0.295 0.000 0.299 352 F C 2.505 178.305 175.800 0.000 0.000 1.101 352 F CA 0.113 58.105 58.000 -0.013 0.000 1.436 352 F CB -0.867 38.120 39.000 -0.020 0.000 1.074 352 F HN 0.311 nan 8.300 nan 0.000 0.553 353 S N 0.984 116.764 115.700 0.134 0.000 2.390 353 S HA -0.254 4.040 4.470 -0.294 0.000 0.234 353 S C -0.196 174.453 174.600 0.081 0.000 1.063 353 S CA 1.993 60.242 58.200 0.082 0.000 1.108 353 S CB -1.757 61.464 63.200 0.035 0.000 0.975 353 S HN 0.270 nan 8.310 nan 0.000 0.442 354 P HA -0.110 nan 4.420 nan 0.000 0.219 354 P C 1.141 178.544 177.300 0.172 0.000 1.145 354 P CA 0.970 64.131 63.100 0.102 0.000 0.813 354 P CB -0.181 31.583 31.700 0.106 0.000 0.771 355 L N -1.854 119.479 121.223 0.183 0.000 2.179 355 L HA -0.046 4.117 4.340 -0.294 0.000 0.208 355 L C 2.448 179.428 176.870 0.183 0.000 1.096 355 L CA 0.961 55.945 54.840 0.239 0.000 0.779 355 L CB -1.071 41.074 42.059 0.143 0.000 0.922 355 L HN -0.044 nan 8.230 nan 0.000 0.443 356 A N 1.587 124.455 122.820 0.080 0.000 1.927 356 A HA -0.269 3.875 4.320 -0.294 0.000 0.220 356 A C 2.320 179.883 177.584 -0.036 0.000 1.185 356 A CA 2.225 54.276 52.037 0.022 0.000 0.639 356 A CB -0.683 18.321 19.000 0.007 0.000 0.820 356 A HN 0.587 nan 8.150 nan 0.000 0.451 357 R N -2.106 118.308 120.500 -0.144 0.000 2.316 357 R HA -0.044 4.120 4.340 -0.294 0.000 0.202 357 R C 0.821 176.890 176.300 -0.385 0.000 1.029 357 R CA 1.367 57.294 56.100 -0.288 0.000 1.018 357 R CB -0.430 29.638 30.300 -0.387 0.000 0.888 357 R HN 0.550 nan 8.270 nan 0.000 0.471 358 Y N 0.305 120.599 120.300 -0.010 0.000 2.449 358 Y HA 0.286 4.660 4.550 -0.294 0.000 0.254 358 Y C 1.262 177.150 175.900 -0.020 0.000 1.140 358 Y CA -0.115 57.977 58.100 -0.013 0.000 1.272 358 Y CB 0.595 39.048 38.460 -0.011 0.000 1.114 358 Y HN -0.047 nan 8.280 nan 0.000 0.525 359 L N -0.114 121.152 121.223 0.073 0.000 2.769 359 L HA 0.207 4.371 4.340 -0.294 0.000 0.240 359 L C -0.075 176.793 176.870 -0.003 0.000 1.163 359 L CA -0.233 54.627 54.840 0.033 0.000 0.962 359 L CB -0.265 41.807 42.059 0.021 0.000 1.258 359 L HN 0.050 nan 8.230 nan 0.000 0.513 360 N N 1.206 119.901 118.700 -0.009 0.000 2.408 360 N HA 0.540 5.103 4.740 -0.294 0.000 0.260 360 N C 0.672 176.171 175.510 -0.018 0.000 1.242 360 N CA 0.827 53.865 53.050 -0.020 0.000 0.959 360 N CB 1.011 39.481 38.487 -0.029 0.000 1.201 360 N HN 0.198 nan 8.380 nan 0.000 0.511 361 G N 0.248 109.035 108.800 -0.021 0.000 2.660 361 G HA2 -0.203 3.581 3.960 -0.294 0.000 0.247 361 G HA3 -0.203 3.581 3.960 -0.294 0.000 0.247 361 G C -0.557 174.327 174.900 -0.027 0.000 1.328 361 G CA -0.199 44.888 45.100 -0.020 0.000 0.884 361 G HN 0.538 nan 8.290 nan 0.000 0.531 362 D N 0.325 120.709 120.400 -0.027 0.000 2.360 362 D HA 0.142 4.606 4.640 -0.294 0.000 0.210 362 D C 1.410 177.682 176.300 -0.046 0.000 1.047 362 D CA 0.338 54.319 54.000 -0.032 0.000 0.854 362 D CB 0.179 40.965 40.800 -0.023 0.000 0.936 362 D HN 0.281 nan 8.370 nan 0.000 0.514 363 N N 0.581 119.249 118.700 -0.053 0.000 2.321 363 N HA 0.099 4.663 4.740 -0.294 0.000 0.242 363 N C -0.887 174.559 175.510 -0.107 0.000 1.141 363 N CA 0.136 53.140 53.050 -0.077 0.000 0.864 363 N CB 1.717 40.163 38.487 -0.067 0.000 1.100 363 N HN -0.008 nan 8.380 nan 0.000 0.510 364 V N 1.297 121.152 119.914 -0.098 0.000 2.588 364 V HA 0.475 4.419 4.120 -0.294 0.000 0.304 364 V C -0.249 175.771 176.094 -0.124 0.000 1.042 364 V CA -0.857 61.379 62.300 -0.107 0.000 0.877 364 V CB 2.550 34.336 31.823 -0.061 0.000 0.996 364 V HN 0.040 nan 8.190 nan 0.000 0.425 365 R N 4.554 124.964 120.500 -0.150 0.000 2.621 365 R HA 0.705 4.868 4.340 -0.294 0.000 0.292 365 R C -1.474 174.673 176.300 -0.256 0.000 0.969 365 R CA -0.670 55.313 56.100 -0.195 0.000 0.887 365 R CB 2.511 32.739 30.300 -0.121 0.000 1.180 365 R HN 0.589 nan 8.270 nan 0.000 0.450 366 L N 3.121 124.097 121.223 -0.411 0.000 2.329 366 L HA 0.537 4.700 4.340 -0.294 0.000 0.279 366 L C -0.939 175.595 176.870 -0.560 0.000 1.014 366 L CA -0.990 53.667 54.840 -0.305 0.000 0.814 366 L CB 1.027 42.988 42.059 -0.162 0.000 1.257 366 L HN 0.471 nan 8.230 nan 0.000 0.424 367 Y N 1.294 121.649 120.300 0.091 0.000 2.363 367 Y HA 0.389 4.762 4.550 -0.295 0.000 0.325 367 Y C -0.253 175.762 175.900 0.192 0.000 0.984 367 Y CA -0.749 57.431 58.100 0.134 0.000 1.248 367 Y CB 1.552 40.101 38.460 0.149 0.000 1.116 367 Y HN 0.461 nan 8.280 nan 0.000 0.470 368 C N 5.298 124.738 119.300 0.232 0.000 2.329 368 C HA 0.795 5.079 4.460 -0.294 0.000 0.329 368 C C -0.116 175.013 174.990 0.231 0.000 1.275 368 C CA -0.965 58.129 59.018 0.127 0.000 1.726 368 C CB -1.149 26.585 27.740 -0.010 0.000 2.291 368 C HN 0.793 nan 8.230 nan 0.000 0.514 369 F N 0.405 120.389 119.950 0.056 0.000 2.824 369 F HA 0.953 5.303 4.527 -0.295 0.000 0.330 369 F C 0.447 176.288 175.800 0.068 0.000 1.175 369 F CA -0.081 57.962 58.000 0.073 0.000 0.974 369 F CB 0.297 39.361 39.000 0.105 0.000 1.430 369 F HN 1.111 nan 8.300 nan 0.000 0.507 370 G N 0.651 109.605 108.800 0.256 0.000 2.697 370 G HA2 -0.285 3.498 3.960 -0.294 0.000 0.240 370 G HA3 -0.285 3.498 3.960 -0.294 0.000 0.240 370 G C 0.605 175.532 174.900 0.045 0.000 1.346 370 G CA 0.390 45.571 45.100 0.135 0.000 0.887 370 G HN 1.235 nan 8.290 nan 0.000 0.569 371 R N -0.358 120.167 120.500 0.042 0.000 2.094 371 R HA -0.131 4.032 4.340 -0.294 0.000 0.239 371 R C 1.311 177.630 176.300 0.032 0.000 1.137 371 R CA 2.332 58.456 56.100 0.040 0.000 0.943 371 R CB -0.360 29.968 30.300 0.046 0.000 0.850 371 R HN 0.559 nan 8.270 nan 0.000 0.433 372 D N -0.701 119.712 120.400 0.022 0.000 2.358 372 D HA 0.086 4.549 4.640 -0.294 0.000 0.224 372 D C 1.271 177.560 176.300 -0.017 0.000 1.123 372 D CA 0.452 54.481 54.000 0.049 0.000 0.833 372 D CB 0.429 41.326 40.800 0.161 0.000 0.946 372 D HN 0.476 nan 8.370 nan 0.000 0.505 373 G N 1.590 110.361 108.800 -0.049 0.000 2.556 373 G HA2 -0.362 3.422 3.960 -0.294 0.000 0.220 373 G HA3 -0.362 3.422 3.960 -0.294 0.000 0.220 373 G C 1.667 176.549 174.900 -0.030 0.000 1.156 373 G CA 1.231 46.296 45.100 -0.058 0.000 0.766 373 G HN 0.409 nan 8.290 nan 0.000 0.583 374 A N -0.030 122.793 122.820 0.007 0.000 1.930 374 A HA -0.070 4.073 4.320 -0.294 0.000 0.217 374 A C 2.306 179.901 177.584 0.018 0.000 1.175 374 A CA 2.044 54.090 52.037 0.015 0.000 0.627 374 A CB -0.495 18.519 19.000 0.024 0.000 0.815 374 A HN 0.501 nan 8.150 nan 0.000 0.443 375 Q N -0.519 119.309 119.800 0.047 0.000 2.124 375 Q HA -0.114 4.050 4.340 -0.294 0.000 0.202 375 Q C 1.878 177.917 176.000 0.064 0.000 0.977 375 Q CA 1.411 57.276 55.803 0.104 0.000 0.850 375 Q CB -0.210 28.658 28.738 0.216 0.000 0.901 375 Q HN 0.687 nan 8.270 nan 0.000 0.429 376 L N -0.197 120.969 121.223 -0.094 0.000 2.072 376 L HA -0.070 4.093 4.340 -0.294 0.000 0.205 376 L C 2.555 179.350 176.870 -0.125 0.000 1.079 376 L CA 0.901 55.587 54.840 -0.256 0.000 0.752 376 L CB -0.549 41.253 42.059 -0.429 0.000 0.906 376 L HN 0.247 nan 8.230 nan 0.000 0.436 377 A N 0.258 123.032 122.820 -0.077 0.000 1.908 377 A HA -0.232 3.911 4.320 -0.294 0.000 0.218 377 A C 2.521 180.086 177.584 -0.031 0.000 1.181 377 A CA 1.748 53.755 52.037 -0.050 0.000 0.627 377 A CB -0.855 18.127 19.000 -0.029 0.000 0.818 377 A HN 0.397 nan 8.150 nan 0.000 0.445 378 A N -0.346 122.468 122.820 -0.009 0.000 2.093 378 A HA -0.147 3.996 4.320 -0.294 0.000 0.222 378 A C 2.072 179.659 177.584 0.005 0.000 1.162 378 A CA 1.594 53.634 52.037 0.006 0.000 0.655 378 A CB -0.673 18.343 19.000 0.027 0.000 0.805 378 A HN 0.529 nan 8.150 nan 0.000 0.461 379 L N -2.313 118.910 121.223 0.001 0.000 2.127 379 L HA -0.080 4.083 4.340 -0.294 0.000 0.211 379 L C 1.716 178.582 176.870 -0.008 0.000 1.089 379 L CA 1.419 56.263 54.840 0.006 0.000 0.757 379 L CB -0.050 42.006 42.059 -0.004 0.000 0.899 379 L HN 0.479 nan 8.230 nan 0.000 0.434 380 R N -1.406 119.081 120.500 -0.022 0.000 3.124 380 R HA 0.128 4.291 4.340 -0.294 0.000 0.212 380 R C -2.310 173.968 176.300 -0.037 0.000 1.677 380 R CA -0.779 55.305 56.100 -0.028 0.000 1.186 380 R CB 0.757 31.038 30.300 -0.032 0.000 1.571 380 R HN -0.178 nan 8.270 nan 0.000 0.583 381 P HA -0.190 nan 4.420 nan 0.000 0.220 381 P C 0.908 178.188 177.300 -0.035 0.000 1.148 381 P CA 0.957 64.039 63.100 -0.030 0.000 0.803 381 P CB 0.252 31.942 31.700 -0.017 0.000 0.782 382 E N 0.272 120.453 120.200 -0.032 0.000 2.153 382 E HA -0.112 4.062 4.350 -0.294 0.000 0.194 382 E C 1.294 177.867 176.600 -0.046 0.000 0.988 382 E CA 1.658 58.039 56.400 -0.032 0.000 0.811 382 E CB -0.885 28.800 29.700 -0.025 0.000 0.746 382 E HN 0.262 nan 8.360 nan 0.000 0.466 383 V N -1.951 117.925 119.914 -0.063 0.000 3.177 383 V HA 0.674 4.617 4.120 -0.294 0.000 0.342 383 V C 0.342 176.345 176.094 -0.150 0.000 1.379 383 V CA -0.248 61.996 62.300 -0.093 0.000 1.191 383 V CB -0.033 31.737 31.823 -0.088 0.000 1.167 383 V HN 0.348 nan 8.190 nan 0.000 0.471 384 A N 0.313 123.055 122.820 -0.130 0.000 2.371 384 A HA 0.864 5.007 4.320 -0.294 0.000 0.311 384 A C -0.418 177.093 177.584 -0.122 0.000 1.068 384 A CA -0.583 51.360 52.037 -0.156 0.000 0.744 384 A CB 1.587 20.528 19.000 -0.098 0.000 1.239 384 A HN 0.406 nan 8.150 nan 0.000 0.435 385 E N 1.069 121.185 120.200 -0.139 0.000 2.244 385 E HA 0.415 4.589 4.350 -0.294 0.000 0.266 385 E C -1.126 175.505 176.600 0.051 0.000 0.914 385 E CA -0.623 55.769 56.400 -0.014 0.000 0.794 385 E CB 2.434 32.173 29.700 0.065 0.000 1.210 385 E HN 0.675 nan 8.360 nan 0.000 0.414 386 Q N 1.366 121.211 119.800 0.075 0.000 2.330 386 Q HA 0.381 4.544 4.340 -0.294 0.000 0.269 386 Q C -1.072 175.000 176.000 0.120 0.000 1.022 386 Q CA -0.369 55.492 55.803 0.097 0.000 0.796 386 Q CB 1.664 30.437 28.738 0.059 0.000 1.271 386 Q HN 0.728 nan 8.270 nan 0.000 0.450 387 T N -1.021 113.633 114.554 0.167 0.000 2.858 387 T HA 0.318 4.491 4.350 -0.294 0.000 0.285 387 T C 0.637 175.434 174.700 0.163 0.000 1.052 387 T CA -0.726 61.462 62.100 0.147 0.000 1.009 387 T CB 1.570 70.524 68.868 0.143 0.000 1.241 387 T HN 0.651 nan 8.240 nan 0.000 0.542 388 E N 0.445 120.719 120.200 0.122 0.000 2.033 388 E HA 0.009 4.182 4.350 -0.294 0.000 0.189 388 E C 0.734 177.447 176.600 0.188 0.000 0.979 388 E CA 1.195 57.671 56.400 0.127 0.000 0.802 388 E CB -0.025 29.718 29.700 0.070 0.000 0.763 388 E HN 0.847 nan 8.360 nan 0.000 0.449 389 T N -2.649 111.971 114.554 0.111 0.000 2.950 389 T HA 0.269 4.443 4.350 -0.294 0.000 0.288 389 T C 0.998 175.572 174.700 -0.211 0.000 1.035 389 T CA -0.747 61.373 62.100 0.034 0.000 1.028 389 T CB 1.531 70.376 68.868 -0.037 0.000 1.109 389 T HN 0.027 nan 8.240 nan 0.000 0.514 390 M N 0.137 119.385 119.600 -0.586 0.000 2.132 390 M HA -0.034 4.269 4.480 -0.294 0.000 0.263 390 M C 2.335 178.431 176.300 -0.341 0.000 1.065 390 M CA 1.754 56.452 55.300 -1.003 0.000 1.122 390 M CB -0.406 31.690 32.600 -0.840 0.000 1.365 390 M HN 0.986 nan 8.290 nan 0.000 0.411 391 E N 0.061 120.169 120.200 -0.153 0.000 2.086 391 E HA -0.307 3.866 4.350 -0.294 0.000 0.200 391 E C 1.851 178.406 176.600 -0.075 0.000 1.012 391 E CA 2.086 58.437 56.400 -0.082 0.000 0.812 391 E CB -0.075 29.594 29.700 -0.051 0.000 0.743 391 E HN 0.652 nan 8.360 nan 0.000 0.453 392 Q N -0.381 119.380 119.800 -0.065 0.000 2.119 392 Q HA -0.126 4.037 4.340 -0.294 0.000 0.201 392 Q C 2.156 178.148 176.000 -0.013 0.000 0.972 392 Q CA 1.226 57.014 55.803 -0.025 0.000 0.847 392 Q CB -0.113 28.629 28.738 0.005 0.000 0.903 392 Q HN 0.345 nan 8.270 nan 0.000 0.433 393 A N 0.918 123.720 122.820 -0.029 0.000 1.902 393 A HA -0.187 3.956 4.320 -0.294 0.000 0.217 393 A C 2.085 179.613 177.584 -0.092 0.000 1.181 393 A CA 1.327 53.372 52.037 0.013 0.000 0.623 393 A CB -0.426 18.609 19.000 0.059 0.000 0.818 393 A HN 0.260 nan 8.150 nan 0.000 0.443 394 M N -0.862 118.687 119.600 -0.085 0.000 2.086 394 M HA -0.133 4.170 4.480 -0.294 0.000 0.261 394 M C 2.272 178.527 176.300 -0.075 0.000 1.067 394 M CA 1.465 56.724 55.300 -0.068 0.000 1.116 394 M CB -0.760 31.823 32.600 -0.028 0.000 1.348 394 M HN 0.394 nan 8.290 nan 0.000 0.407 395 R N 0.087 120.551 120.500 -0.059 0.000 2.148 395 R HA -0.103 4.060 4.340 -0.294 0.000 0.227 395 R C 2.149 178.426 176.300 -0.039 0.000 1.103 395 R CA 0.877 56.951 56.100 -0.044 0.000 0.983 395 R CB -0.415 29.864 30.300 -0.035 0.000 0.874 395 R HN 0.231 nan 8.270 nan 0.000 0.451 396 L N 1.270 122.469 121.223 -0.040 0.000 2.131 396 L HA -0.064 4.099 4.340 -0.294 0.000 0.206 396 L C 1.942 178.771 176.870 -0.067 0.000 1.087 396 L CA 1.382 56.218 54.840 -0.007 0.000 0.767 396 L CB -0.270 41.834 42.059 0.075 0.000 0.917 396 L HN 0.114 nan 8.230 nan 0.000 0.441 397 L N -1.726 119.308 121.223 -0.316 0.000 2.240 397 L HA 0.282 4.445 4.340 -0.294 0.000 0.211 397 L C 2.434 179.105 176.870 -0.332 0.000 1.106 397 L CA 1.590 56.117 54.840 -0.521 0.000 0.793 397 L CB -1.799 39.506 42.059 -1.255 0.000 0.927 397 L HN 0.073 nan 8.230 nan 0.000 0.446 398 A N 1.124 123.838 122.820 -0.176 0.000 1.859 398 A HA -0.116 4.028 4.320 -0.294 0.000 0.217 398 A C 0.647 178.198 177.584 -0.055 0.000 1.198 398 A CA 2.286 54.297 52.037 -0.044 0.000 0.629 398 A CB -2.164 16.872 19.000 0.060 0.000 0.830 398 A HN 0.463 nan 8.150 nan 0.000 0.446 399 P HA -0.184 nan 4.420 nan 0.000 0.218 399 P C 1.069 178.358 177.300 -0.018 0.000 1.150 399 P CA 1.633 64.726 63.100 -0.013 0.000 0.841 399 P CB -0.121 31.579 31.700 0.000 0.000 0.784 400 R N -1.564 118.909 120.500 -0.044 0.000 2.310 400 R HA 0.116 4.279 4.340 -0.294 0.000 0.202 400 R C 0.103 176.388 176.300 -0.025 0.000 0.933 400 R CA -0.082 56.024 56.100 0.010 0.000 1.054 400 R CB -0.128 30.236 30.300 0.107 0.000 0.985 400 R HN 0.064 nan 8.270 nan 0.000 0.489 401 V N 2.150 121.970 119.914 -0.156 0.000 2.555 401 V HA 0.052 3.995 4.120 -0.294 0.000 0.286 401 V C 0.153 176.234 176.094 -0.021 0.000 1.044 401 V CA 0.112 62.300 62.300 -0.186 0.000 1.026 401 V CB 1.241 32.851 31.823 -0.354 0.000 0.981 401 V HN 0.174 nan 8.190 nan 0.000 0.480 402 Q N 4.697 124.519 119.800 0.036 0.000 2.394 402 Q HA 0.452 4.616 4.340 -0.294 0.000 0.273 402 Q C -2.660 173.352 176.000 0.020 0.000 1.089 402 Q CA -2.538 53.285 55.803 0.033 0.000 0.812 402 Q CB 1.801 30.566 28.738 0.046 0.000 1.353 402 Q HN 0.372 nan 8.270 nan 0.000 0.438 403 P HA -0.004 nan 4.420 nan 0.000 0.260 403 P C 0.648 177.954 177.300 0.009 0.000 1.172 403 P CA 1.554 64.659 63.100 0.009 0.000 0.760 403 P CB 0.241 31.944 31.700 0.005 0.000 0.773 404 G N 1.927 110.731 108.800 0.007 0.000 2.213 404 G HA2 -0.173 3.611 3.960 -0.294 0.000 0.226 404 G HA3 -0.173 3.611 3.960 -0.294 0.000 0.226 404 G C 0.027 174.918 174.900 -0.016 0.000 0.992 404 G CA -0.310 44.792 45.100 0.003 0.000 0.632 404 G HN 0.488 nan 8.290 nan 0.000 0.511 405 D N 0.270 120.661 120.400 -0.014 0.000 2.354 405 D HA 0.596 5.059 4.640 -0.294 0.000 0.247 405 D C 0.585 176.854 176.300 -0.053 0.000 1.138 405 D CA 0.008 53.996 54.000 -0.020 0.000 0.958 405 D CB 1.046 41.887 40.800 0.067 0.000 1.144 405 D HN 0.359 nan 8.370 nan 0.000 0.458 406 M N 0.884 120.453 119.600 -0.052 0.000 2.383 406 M HA 0.412 4.715 4.480 -0.294 0.000 0.325 406 M C -1.741 174.510 176.300 -0.082 0.000 1.092 406 M CA -0.809 54.443 55.300 -0.081 0.000 0.961 406 M CB 1.676 34.253 32.600 -0.038 0.000 1.672 406 M HN -0.019 nan 8.290 nan 0.000 0.438 407 V N 5.591 125.368 119.914 -0.229 0.000 2.347 407 V HA 0.454 4.397 4.120 -0.294 0.000 0.280 407 V C -0.951 175.153 176.094 0.017 0.000 1.021 407 V CA -0.727 61.476 62.300 -0.162 0.000 0.847 407 V CB 1.290 32.781 31.823 -0.554 0.000 0.990 407 V HN 0.721 nan 8.190 nan 0.000 0.444 408 L N 6.844 128.077 121.223 0.016 0.000 2.345 408 L HA 0.603 4.766 4.340 -0.294 0.000 0.274 408 L C -0.803 175.989 176.870 -0.131 0.000 0.999 408 L CA -0.455 54.331 54.840 -0.089 0.000 0.849 408 L CB 1.456 43.475 42.059 -0.067 0.000 1.220 408 L HN 0.635 nan 8.230 nan 0.000 0.422 409 L N 4.579 125.567 121.223 -0.391 0.000 2.282 409 L HA 0.568 4.732 4.340 -0.294 0.000 0.287 409 L C -0.096 176.613 176.870 -0.267 0.000 1.075 409 L CA 0.710 55.302 54.840 -0.413 0.000 0.839 409 L CB 0.745 42.230 42.059 -0.956 0.000 1.219 409 L HN 0.722 nan 8.230 nan 0.000 0.434 410 S N 6.408 122.032 115.700 -0.126 0.000 2.317 410 S HA 0.459 4.753 4.470 -0.294 0.000 0.144 410 S C -1.976 172.581 174.600 -0.071 0.000 1.660 410 S CA -0.728 57.420 58.200 -0.086 0.000 1.273 410 S CB 0.547 63.719 63.200 -0.046 0.000 1.330 410 S HN 0.593 nan 8.310 nan 0.000 0.395 411 P HA 0.173 nan 4.420 nan 0.000 0.233 411 P C 0.838 178.052 177.300 -0.143 0.000 1.167 411 P CA 1.119 64.158 63.100 -0.103 0.000 0.770 411 P CB -0.069 31.585 31.700 -0.077 0.000 0.837 412 A N -2.518 120.249 122.820 -0.089 0.000 2.979 412 A HA -0.193 3.950 4.320 -0.294 0.000 0.260 412 A C 0.435 178.031 177.584 0.020 0.000 1.282 412 A CA 1.058 53.072 52.037 -0.038 0.000 0.971 412 A CB -2.597 16.378 19.000 -0.043 0.000 1.124 412 A HN 0.407 nan 8.150 nan 0.000 0.826 413 C N -1.345 117.941 119.300 -0.023 0.000 3.090 413 C HA 0.811 5.095 4.460 -0.294 0.000 0.305 413 C C 0.973 175.970 174.990 0.011 0.000 1.292 413 C CA -0.629 58.399 59.018 0.016 0.000 1.482 413 C CB 1.461 29.192 27.740 -0.015 0.000 1.897 413 C HN 1.741 nan 8.230 nan 0.000 0.469 414 A N 1.237 124.084 122.820 0.046 0.000 2.448 414 A HA 0.441 4.585 4.320 -0.294 0.000 0.239 414 A C 1.156 178.813 177.584 0.122 0.000 1.080 414 A CA 0.611 52.701 52.037 0.088 0.000 0.779 414 A CB 0.134 19.204 19.000 0.117 0.000 1.026 414 A HN 1.460 nan 8.150 nan 0.000 0.499 415 S N 0.654 116.455 115.700 0.170 0.000 2.517 415 S HA 0.048 4.342 4.470 -0.294 0.000 0.214 415 S C 1.239 176.048 174.600 0.348 0.000 0.991 415 S CA 0.395 58.756 58.200 0.269 0.000 0.906 415 S CB -0.460 62.833 63.200 0.155 0.000 0.789 415 S HN 0.572 nan 8.310 nan 0.000 0.513 416 L N 2.563 123.924 121.223 0.230 0.000 2.549 416 L HA -0.075 4.089 4.340 -0.294 0.000 0.230 416 L C 2.218 179.177 176.870 0.148 0.000 1.162 416 L CA 1.181 56.133 54.840 0.186 0.000 0.834 416 L CB -0.802 41.343 42.059 0.145 0.000 0.947 416 L HN 0.450 nan 8.230 nan 0.000 0.452 417 D N -0.210 120.282 120.400 0.152 0.000 2.234 417 D HA -0.196 4.267 4.640 -0.294 0.000 0.205 417 D C 1.578 177.920 176.300 0.069 0.000 0.962 417 D CA 1.024 55.085 54.000 0.101 0.000 0.855 417 D CB 0.021 40.878 40.800 0.095 0.000 0.951 417 D HN 0.465 nan 8.370 nan 0.000 0.500 418 Q N -1.559 118.298 119.800 0.095 0.000 2.179 418 Q HA 0.269 4.432 4.340 -0.294 0.000 0.244 418 Q C -0.421 175.369 176.000 -0.349 0.000 0.808 418 Q CA -0.165 55.543 55.803 -0.158 0.000 0.955 418 Q CB 1.133 29.700 28.738 -0.284 0.000 1.141 418 Q HN 0.133 nan 8.270 nan 0.000 0.485 419 F N -0.220 119.776 119.950 0.076 0.000 2.631 419 F HA 0.353 4.703 4.527 -0.295 0.000 0.328 419 F C 1.185 177.010 175.800 0.041 0.000 1.067 419 F CA -1.123 56.911 58.000 0.056 0.000 0.969 419 F CB 1.263 40.303 39.000 0.066 0.000 1.332 419 F HN -0.321 nan 8.300 nan 0.000 0.490 420 K N 0.338 120.880 120.400 0.237 0.000 2.057 420 K HA -0.097 4.046 4.320 -0.294 0.000 0.206 420 K C -0.461 176.203 176.600 0.107 0.000 1.050 420 K CA 1.765 58.127 56.287 0.125 0.000 0.935 420 K CB -0.045 32.502 32.500 0.078 0.000 0.715 420 K HN 0.861 nan 8.250 nan 0.000 0.439 421 N N -2.539 116.215 118.700 0.090 0.000 3.355 421 N HA -0.016 4.547 4.740 -0.294 0.000 0.238 421 N C 0.302 175.764 175.510 -0.080 0.000 1.466 421 N CA -0.424 52.635 53.050 0.015 0.000 0.882 421 N CB -0.183 38.245 38.487 -0.099 0.000 1.406 421 N HN -0.068 nan 8.380 nan 0.000 0.500 422 F N -0.869 119.019 119.950 -0.103 0.000 2.293 422 F HA 0.256 4.606 4.527 -0.295 0.000 0.300 422 F C 1.437 177.002 175.800 -0.392 0.000 1.086 422 F CA 0.895 58.764 58.000 -0.219 0.000 1.375 422 F CB -0.403 38.501 39.000 -0.159 0.000 1.045 422 F HN 0.522 nan 8.300 nan 0.000 0.516 423 E N 0.736 120.196 120.200 -1.234 0.000 2.077 423 E HA -0.249 3.925 4.350 -0.294 0.000 0.193 423 E C 2.266 178.604 176.600 -0.435 0.000 0.989 423 E CA 1.644 57.389 56.400 -1.091 0.000 0.800 423 E CB -0.451 28.797 29.700 -0.752 0.000 0.746 423 E HN 0.693 nan 8.360 nan 0.000 0.452 424 Q N 0.509 120.156 119.800 -0.256 0.000 2.079 424 Q HA -0.190 3.973 4.340 -0.294 0.000 0.200 424 Q C 2.291 178.234 176.000 -0.095 0.000 0.974 424 Q CA 1.318 57.087 55.803 -0.056 0.000 0.840 424 Q CB 0.012 28.799 28.738 0.082 0.000 0.898 424 Q HN 0.114 nan 8.270 nan 0.000 0.430 425 R N -0.565 119.690 120.500 -0.409 0.000 2.081 425 R HA -0.124 4.040 4.340 -0.294 0.000 0.235 425 R C 2.148 178.316 176.300 -0.221 0.000 1.131 425 R CA 1.586 57.221 56.100 -0.775 0.000 0.960 425 R CB -0.533 29.086 30.300 -1.135 0.000 0.856 425 R HN 0.381 nan 8.270 nan 0.000 0.436 426 G N 0.612 109.358 108.800 -0.090 0.000 2.404 426 G HA2 -0.253 3.531 3.960 -0.294 0.000 0.215 426 G HA3 -0.253 3.531 3.960 -0.294 0.000 0.215 426 G C 1.130 176.199 174.900 0.283 0.000 1.174 426 G CA 0.629 45.852 45.100 0.206 0.000 0.780 426 G HN 0.317 nan 8.290 nan 0.000 0.537 427 N N 0.607 119.447 118.700 0.234 0.000 2.084 427 N HA -0.100 4.463 4.740 -0.294 0.000 0.190 427 N C 2.018 177.593 175.510 0.110 0.000 1.030 427 N CA 1.286 54.434 53.050 0.162 0.000 0.849 427 N CB -0.439 38.119 38.487 0.119 0.000 1.012 427 N HN 0.596 nan 8.380 nan 0.000 0.423 428 E N 0.036 120.305 120.200 0.115 0.000 2.038 428 E HA -0.208 3.966 4.350 -0.294 0.000 0.195 428 E C 1.858 178.518 176.600 0.100 0.000 1.000 428 E CA 0.908 57.378 56.400 0.117 0.000 0.803 428 E CB -0.244 29.587 29.700 0.217 0.000 0.750 428 E HN 0.314 nan 8.360 nan 0.000 0.448 429 F N 1.054 121.003 119.950 -0.002 0.000 2.120 429 F HA -0.231 4.119 4.527 -0.294 0.000 0.300 429 F C 2.020 177.803 175.800 -0.028 0.000 1.095 429 F CA 1.782 59.779 58.000 -0.005 0.000 1.249 429 F CB -0.400 38.609 39.000 0.016 0.000 0.995 429 F HN 0.108 nan 8.300 nan 0.000 0.480 430 A N 0.510 123.363 122.820 0.056 0.000 1.898 430 A HA -0.170 3.973 4.320 -0.294 0.000 0.216 430 A C 2.363 179.814 177.584 -0.222 0.000 1.181 430 A CA 1.585 53.572 52.037 -0.083 0.000 0.620 430 A CB -0.837 18.179 19.000 0.027 0.000 0.819 430 A HN 0.499 nan 8.150 nan 0.000 0.442 431 R N -0.208 120.201 120.500 -0.150 0.000 2.070 431 R HA -0.072 4.091 4.340 -0.294 0.000 0.233 431 R C 1.980 178.131 176.300 -0.248 0.000 1.137 431 R CA 1.699 57.700 56.100 -0.165 0.000 0.945 431 R CB -0.487 29.760 30.300 -0.090 0.000 0.845 431 R HN 0.484 nan 8.270 nan 0.000 0.430 432 L N 0.464 121.530 121.223 -0.261 0.000 2.079 432 L HA -0.143 4.020 4.340 -0.294 0.000 0.210 432 L C 2.735 179.276 176.870 -0.548 0.000 1.081 432 L CA 1.383 56.029 54.840 -0.324 0.000 0.752 432 L CB -0.564 41.349 42.059 -0.244 0.000 0.896 432 L HN 0.341 nan 8.230 nan 0.000 0.433 433 A N 0.064 122.413 122.820 -0.785 0.000 1.930 433 A HA -0.177 3.967 4.320 -0.294 0.000 0.217 433 A C 2.358 179.259 177.584 -1.138 0.000 1.175 433 A CA 1.449 52.709 52.037 -1.294 0.000 0.627 433 A CB -0.277 17.996 19.000 -1.211 0.000 0.815 433 A HN 0.326 nan 8.150 nan 0.000 0.443 434 K N -0.434 119.558 120.400 -0.679 0.000 2.026 434 K HA -0.183 3.960 4.320 -0.294 0.000 0.208 434 K C 2.161 178.518 176.600 -0.406 0.000 1.048 434 K CA 1.534 57.530 56.287 -0.484 0.000 0.929 434 K CB -0.177 32.129 32.500 -0.322 0.000 0.713 434 K HN 0.695 nan 8.250 nan 0.000 0.439 435 E N 1.174 121.163 120.200 -0.352 0.000 2.031 435 E HA -0.192 3.981 4.350 -0.294 0.000 0.193 435 E C 1.919 178.355 176.600 -0.273 0.000 0.994 435 E CA 1.147 57.390 56.400 -0.262 0.000 0.800 435 E CB 0.017 29.590 29.700 -0.213 0.000 0.752 435 E HN 0.214 nan 8.360 nan 0.000 0.447 436 L N -0.534 120.470 121.223 -0.366 0.000 2.395 436 L HA 0.077 4.240 4.340 -0.294 0.000 0.218 436 L C 2.229 178.951 176.870 -0.247 0.000 1.130 436 L CA 0.713 55.390 54.840 -0.272 0.000 0.826 436 L CB 0.051 41.976 42.059 -0.223 0.000 0.941 436 L HN 0.215 nan 8.230 nan 0.000 0.451 437 G N -1.542 106.963 108.800 -0.492 0.000 3.126 437 G HA2 0.041 3.824 3.960 -0.294 0.000 0.224 437 G HA3 0.041 3.824 3.960 -0.294 0.000 0.224 437 G C 0.444 175.325 174.900 -0.031 0.000 1.142 437 G CA 0.065 44.990 45.100 -0.293 0.000 0.759 437 G HN 0.178 nan 8.290 nan 0.000 0.550 438 S N -1.311 114.325 115.700 -0.107 0.000 2.607 438 S HA 0.774 5.067 4.470 -0.294 0.000 0.303 438 S C -0.286 174.316 174.600 0.003 0.000 1.086 438 S CA 0.677 58.870 58.200 -0.011 0.000 0.995 438 S CB 1.267 64.372 63.200 -0.157 0.000 1.084 438 S HN 1.125 nan 8.310 nan 0.000 0.507 439 H N 0.000 119.096 119.070 0.043 0.000 2.539 439 H HA 0.000 4.379 4.556 -0.294 0.000 0.296 439 H CA 0.000 nan 56.048 nan 0.000 1.023 439 H CB 0.000 nan 29.762 nan 0.000 1.292 439 H HN 0.000 nan 8.280 nan 0.000 0.496