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 1hcu_1_A DATA FIRST_RESID 7 DATA SEQUENCE KRGSPNPTRA AAVKAAFQTS WNAYHHFAFP HDDLHPVSNS FDDERNGWGS DATA SEQUENCE SAIDGLDTAI LMGDADIVNT ILQYVPQINF TTTAVANQGS SVFETNIRYL DATA SEQUENCE GGLLSAYDLL RGPFSSLATN QTLVNSLLRQ AQTLANGLKV AFTTPSGVPD DATA SEQUENCE PTVFFNPTVR RSGASSNNVA EIGSLVLEWT RLSDLTGNPQ YAQLAQKGES DATA SEQUENCE YLLNPKGSPE AWPGLIGTFV STSNGTFQDS SGSWSGLMDS FYEYLIKMYL DATA SEQUENCE YDPVAFAHYK DRWVLGADST IGHLGSHPST RKDLTFLSSY NGQSTSPNSG DATA SEQUENCE HLASFGGGNF ILGGILLNEQ KYIDFGIKLA SSYFGTYTQT ASGIGPEGFA DATA SEQUENCE WVDSVTGAGG SPPSSQSGFY SSAGFWVTAP YYILRPETLE SLYYAYRVTG DATA SEQUENCE DSKWQDLAWE ALSAIEDACR AGSAYSSIND VTQANGGGAS DDMESFWFAE DATA SEQUENCE ALKYAYLIFA EESDVQVQAT GGNKFVFNTE AHPFSIRS 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.628 176.600 0.047 0.000 0.988 7 K CA 0.000 56.299 56.287 0.020 0.000 0.838 7 K CB 0.000 32.506 32.500 0.011 0.000 1.064 8 R N 0.250 120.776 120.500 0.044 0.000 2.640 8 R HA 0.697 4.848 4.340 -0.314 0.000 0.270 8 R C 0.946 177.307 176.300 0.102 0.000 1.024 8 R CA 0.594 56.729 56.100 0.059 0.000 1.085 8 R CB 0.165 30.485 30.300 0.034 0.000 0.963 8 R HN 1.813 nan 8.270 nan 0.000 0.426 9 G N -0.047 108.858 108.800 0.175 0.000 2.522 9 G HA2 0.570 4.341 3.960 -0.314 0.000 0.304 9 G HA3 0.570 4.341 3.960 -0.314 0.000 0.304 9 G C -0.275 174.754 174.900 0.215 0.000 1.210 9 G CA 0.396 45.664 45.100 0.280 0.000 0.960 9 G HN 1.749 nan 8.290 nan 0.000 0.497 10 S N -0.521 115.292 115.700 0.188 0.000 2.578 10 S HA 0.603 4.884 4.470 -0.314 0.000 0.272 10 S C -3.264 171.381 174.600 0.074 0.000 1.145 10 S CA -1.096 57.176 58.200 0.119 0.000 0.835 10 S CB 1.619 64.856 63.200 0.061 0.000 1.104 10 S HN 0.673 nan 8.310 nan 0.000 0.458 11 P HA 0.135 nan 4.420 nan 0.000 0.265 11 P C -1.087 176.208 177.300 -0.009 0.000 1.187 11 P CA -0.022 63.090 63.100 0.019 0.000 0.766 11 P CB 0.176 31.879 31.700 0.006 0.000 0.820 12 N N 3.940 122.628 118.700 -0.020 0.000 2.626 12 N HA 0.143 4.694 4.740 -0.314 0.000 0.242 12 N C -1.489 173.941 175.510 -0.133 0.000 1.005 12 N CA -2.332 50.653 53.050 -0.108 0.000 0.905 12 N CB 1.295 39.654 38.487 -0.213 0.000 1.128 12 N HN 0.195 nan 8.380 nan 0.000 0.512 13 P HA -0.129 nan 4.420 nan 0.000 0.215 13 P C 1.133 178.374 177.300 -0.099 0.000 1.153 13 P CA 1.452 64.512 63.100 -0.067 0.000 0.853 13 P CB 0.307 31.983 31.700 -0.041 0.000 0.788 14 T N -0.192 114.267 114.554 -0.159 0.000 2.708 14 T HA -0.133 4.029 4.350 -0.314 0.000 0.266 14 T C 2.103 176.626 174.700 -0.295 0.000 1.037 14 T CA 1.560 63.550 62.100 -0.185 0.000 1.146 14 T CB -0.443 68.300 68.868 -0.208 0.000 0.865 14 T HN 0.066 nan 8.240 nan 0.000 0.435 15 R N 0.947 121.109 120.500 -0.563 0.000 2.066 15 R HA 0.102 4.254 4.340 -0.314 0.000 0.232 15 R C 2.630 178.690 176.300 -0.400 0.000 1.131 15 R CA 1.404 56.924 56.100 -0.966 0.000 0.955 15 R CB -0.762 28.441 30.300 -1.828 0.000 0.851 15 R HN 0.379 nan 8.270 nan 0.000 0.432 16 A N 0.296 123.023 122.820 -0.155 0.000 1.940 16 A HA -0.141 3.991 4.320 -0.314 0.000 0.219 16 A C 2.296 180.030 177.584 0.249 0.000 1.176 16 A CA 1.840 53.961 52.037 0.140 0.000 0.631 16 A CB -0.946 18.061 19.000 0.011 0.000 0.814 16 A HN 0.437 nan 8.150 nan 0.000 0.446 17 A N -0.159 122.735 122.820 0.123 0.000 1.902 17 A HA 0.144 4.276 4.320 -0.314 0.000 0.217 17 A C 2.503 180.185 177.584 0.163 0.000 1.181 17 A CA 2.103 54.222 52.037 0.137 0.000 0.623 17 A CB -1.001 18.044 19.000 0.076 0.000 0.818 17 A HN 1.075 nan 8.150 nan 0.000 0.443 18 A N -0.501 122.414 122.820 0.159 0.000 1.902 18 A HA -0.027 4.104 4.320 -0.314 0.000 0.217 18 A C 2.226 179.973 177.584 0.272 0.000 1.181 18 A CA 1.889 54.070 52.037 0.240 0.000 0.623 18 A CB -0.956 18.259 19.000 0.359 0.000 0.818 18 A HN 0.427 nan 8.150 nan 0.000 0.443 19 V N 0.181 120.278 119.914 0.306 0.000 2.358 19 V HA -0.256 3.676 4.120 -0.314 0.000 0.246 19 V C 2.508 178.731 176.094 0.214 0.000 1.047 19 V CA 2.329 64.801 62.300 0.286 0.000 1.035 19 V CB -0.689 31.366 31.823 0.387 0.000 0.658 19 V HN 0.680 nan 8.190 nan 0.000 0.452 20 K N 0.376 120.896 120.400 0.200 0.000 2.097 20 K HA -0.169 3.963 4.320 -0.314 0.000 0.206 20 K C 2.168 178.886 176.600 0.197 0.000 1.049 20 K CA 1.498 57.838 56.287 0.088 0.000 0.933 20 K CB -0.301 32.224 32.500 0.041 0.000 0.717 20 K HN 0.439 nan 8.250 nan 0.000 0.442 21 A N 0.870 123.817 122.820 0.213 0.000 1.930 21 A HA -0.060 4.071 4.320 -0.314 0.000 0.217 21 A C 2.280 180.044 177.584 0.299 0.000 1.175 21 A CA 1.683 53.862 52.037 0.237 0.000 0.627 21 A CB -0.674 18.454 19.000 0.213 0.000 0.815 21 A HN 0.459 nan 8.150 nan 0.000 0.443 22 A N -1.345 121.656 122.820 0.301 0.000 1.930 22 A HA -0.000 4.131 4.320 -0.314 0.000 0.217 22 A C 2.013 179.804 177.584 0.345 0.000 1.175 22 A CA 1.482 53.728 52.037 0.348 0.000 0.627 22 A CB -0.640 18.449 19.000 0.149 0.000 0.815 22 A HN 0.648 nan 8.150 nan 0.000 0.443 23 F N 0.472 120.494 119.950 0.121 0.000 2.113 23 F HA -0.144 4.191 4.527 -0.319 0.000 0.297 23 F C 2.408 178.405 175.800 0.327 0.000 1.103 23 F CA 2.148 60.233 58.000 0.141 0.000 1.248 23 F CB -0.352 38.657 39.000 0.015 0.000 0.999 23 F HN 0.306 nan 8.300 nan 0.000 0.475 24 Q N 0.307 120.402 119.800 0.490 0.000 2.077 24 Q HA -0.183 3.968 4.340 -0.314 0.000 0.206 24 Q C 2.078 178.307 176.000 0.381 0.000 0.989 24 Q CA 2.992 59.049 55.803 0.423 0.000 0.853 24 Q CB -0.902 28.029 28.738 0.321 0.000 0.907 24 Q HN 0.418 nan 8.270 nan 0.000 0.418 25 T N -0.161 114.603 114.554 0.351 0.000 2.652 25 T HA -0.155 4.006 4.350 -0.314 0.000 0.267 25 T C 1.976 176.886 174.700 0.349 0.000 1.039 25 T CA 1.578 63.871 62.100 0.320 0.000 1.153 25 T CB -0.548 68.518 68.868 0.330 0.000 0.863 25 T HN 0.312 nan 8.240 nan 0.000 0.428 26 S N 0.359 116.312 115.700 0.422 0.000 2.374 26 S HA -0.139 4.142 4.470 -0.314 0.000 0.227 26 S C 1.610 176.556 174.600 0.576 0.000 1.037 26 S CA 1.143 59.608 58.200 0.440 0.000 1.024 26 S CB -0.499 62.867 63.200 0.276 0.000 0.861 26 S HN 0.632 nan 8.310 nan 0.000 0.456 27 W N 2.743 124.243 121.300 0.333 0.000 2.378 27 W HA -0.143 4.326 4.660 -0.318 0.000 0.313 27 W C 1.705 178.393 176.519 0.283 0.000 1.197 27 W CA 1.418 58.899 57.345 0.227 0.000 1.304 27 W CB -0.820 28.624 29.460 -0.028 0.000 1.148 27 W HN 0.390 nan 8.180 nan 0.000 0.494 28 N N 0.597 119.425 118.700 0.214 0.000 2.036 28 N HA -0.232 4.319 4.740 -0.314 0.000 0.195 28 N C 2.042 177.589 175.510 0.061 0.000 1.037 28 N CA 1.950 55.068 53.050 0.112 0.000 0.855 28 N CB -0.664 37.938 38.487 0.192 0.000 1.033 28 N HN 0.107 nan 8.380 nan 0.000 0.423 29 A N 0.730 123.663 122.820 0.188 0.000 1.877 29 A HA -0.218 3.913 4.320 -0.314 0.000 0.216 29 A C 2.047 179.808 177.584 0.294 0.000 1.186 29 A CA 1.308 53.527 52.037 0.303 0.000 0.620 29 A CB -1.080 18.093 19.000 0.288 0.000 0.822 29 A HN 0.561 nan 8.150 nan 0.000 0.443 30 Y N -0.519 119.842 120.300 0.103 0.000 2.181 30 Y HA -0.271 4.094 4.550 -0.309 0.000 0.288 30 Y C 2.380 178.191 175.900 -0.148 0.000 1.146 30 Y CA 2.291 60.409 58.100 0.030 0.000 1.164 30 Y CB -0.580 37.892 38.460 0.021 0.000 0.982 30 Y HN 0.595 nan 8.280 nan 0.000 0.515 31 H N -1.785 116.792 119.070 -0.821 0.000 2.387 31 H HA -0.223 4.144 4.556 -0.314 0.000 0.299 31 H C 2.118 177.142 175.328 -0.506 0.000 1.090 31 H CA 1.455 56.937 56.048 -0.943 0.000 1.332 31 H CB -0.225 28.909 29.762 -1.047 0.000 1.386 31 H HN 0.449 nan 8.280 nan 0.000 0.516 32 H N -0.518 118.260 119.070 -0.488 0.000 2.448 32 H HA -0.061 4.306 4.556 -0.315 0.000 0.292 32 H C 1.082 176.045 175.328 -0.608 0.000 1.035 32 H CA 1.293 56.965 56.048 -0.628 0.000 1.349 32 H CB 0.094 29.414 29.762 -0.737 0.000 1.425 32 H HN 0.371 nan 8.280 nan 0.000 0.539 33 F N -1.284 118.690 119.950 0.041 0.000 2.717 33 F HA 0.321 4.658 4.527 -0.315 0.000 0.297 33 F C 2.211 178.050 175.800 0.065 0.000 1.113 33 F CA 0.512 58.563 58.000 0.085 0.000 1.319 33 F CB 0.559 39.627 39.000 0.112 0.000 1.097 33 F HN 0.184 nan 8.300 nan 0.000 0.595 34 A N -0.643 122.207 122.820 0.049 0.000 2.009 34 A HA 0.187 4.319 4.320 -0.314 0.000 0.197 34 A C 0.347 177.733 177.584 -0.330 0.000 1.471 34 A CA -0.329 51.689 52.037 -0.032 0.000 0.973 34 A CB -0.759 18.314 19.000 0.122 0.000 1.020 34 A HN 0.128 nan 8.150 nan 0.000 0.476 35 F N 1.925 121.337 119.950 -0.896 0.000 2.635 35 F HA 0.198 4.535 4.527 -0.317 0.000 0.379 35 F C -1.829 173.660 175.800 -0.518 0.000 1.094 35 F CA -0.764 56.759 58.000 -0.796 0.000 1.300 35 F CB 0.963 39.495 39.000 -0.779 0.000 1.035 35 F HN 0.027 nan 8.300 nan 0.000 0.581 36 P HA 0.049 nan 4.420 nan 0.000 0.256 36 P C -0.562 176.322 177.300 -0.694 0.000 1.384 36 P CA 0.187 62.323 63.100 -1.607 0.000 0.879 36 P CB -0.089 30.582 31.700 -1.715 0.000 1.403 37 H N 0.390 119.185 119.070 -0.458 0.000 2.703 37 H HA 0.022 4.388 4.556 -0.316 0.000 0.377 37 H C 0.971 176.343 175.328 0.072 0.000 1.392 37 H CA 0.416 56.294 56.048 -0.283 0.000 1.458 37 H CB 0.725 30.104 29.762 -0.639 0.000 1.529 37 H HN 0.021 nan 8.280 nan 0.000 0.619 38 D N 0.303 120.863 120.400 0.266 0.000 2.084 38 D HA -0.070 4.381 4.640 -0.314 0.000 0.196 38 D C -0.024 176.467 176.300 0.319 0.000 0.985 38 D CA 1.503 55.679 54.000 0.294 0.000 0.826 38 D CB 0.255 41.201 40.800 0.243 0.000 0.978 38 D HN 0.495 nan 8.370 nan 0.000 0.456 39 D N -0.261 120.328 120.400 0.315 0.000 2.601 39 D HA 0.349 4.801 4.640 -0.314 0.000 0.230 39 D C -0.664 175.849 176.300 0.355 0.000 1.106 39 D CA -0.648 53.544 54.000 0.319 0.000 0.873 39 D CB 2.755 43.691 40.800 0.227 0.000 1.515 39 D HN -0.089 nan 8.370 nan 0.000 0.468 40 L N 0.775 122.249 121.223 0.418 0.000 2.322 40 L HA 0.325 4.476 4.340 -0.314 0.000 0.279 40 L C -0.704 176.378 176.870 0.353 0.000 1.036 40 L CA -0.217 54.838 54.840 0.359 0.000 0.807 40 L CB 1.034 43.358 42.059 0.441 0.000 1.226 40 L HN 0.340 nan 8.230 nan 0.000 0.433 41 H N 6.002 125.124 119.070 0.086 0.000 2.683 41 H HA 0.250 4.617 4.556 -0.316 0.000 0.270 41 H C -1.729 173.564 175.328 -0.058 0.000 1.201 41 H CA -1.872 54.170 56.048 -0.010 0.000 1.277 41 H CB 0.887 30.620 29.762 -0.048 0.000 1.400 41 H HN 0.581 nan 8.280 nan 0.000 0.504 42 P HA -0.211 nan 4.420 nan 0.000 0.218 42 P C 1.219 178.444 177.300 -0.125 0.000 1.146 42 P CA 0.992 64.062 63.100 -0.050 0.000 0.820 42 P CB 0.557 32.226 31.700 -0.051 0.000 0.778 43 V N 1.032 120.885 119.914 -0.101 0.000 2.326 43 V HA -0.111 3.820 4.120 -0.314 0.000 0.238 43 V C 2.862 178.875 176.094 -0.135 0.000 1.038 43 V CA 2.250 64.478 62.300 -0.119 0.000 1.032 43 V CB -1.616 30.149 31.823 -0.097 0.000 0.675 43 V HN 0.234 nan 8.190 nan 0.000 0.467 44 S N -0.328 115.314 115.700 -0.098 0.000 2.481 44 S HA -0.126 4.155 4.470 -0.314 0.000 0.231 44 S C 0.915 175.420 174.600 -0.158 0.000 0.996 44 S CA 0.938 59.077 58.200 -0.102 0.000 0.942 44 S CB -0.894 62.273 63.200 -0.055 0.000 0.768 44 S HN 0.711 nan 8.310 nan 0.000 0.520 45 N N 1.018 119.594 118.700 -0.207 0.000 2.741 45 N HA -0.178 4.373 4.740 -0.314 0.000 0.250 45 N C 0.097 175.524 175.510 -0.138 0.000 1.115 45 N CA 0.441 53.276 53.050 -0.359 0.000 0.724 45 N CB -1.369 36.661 38.487 -0.763 0.000 1.090 45 N HN 0.787 nan 8.380 nan 0.000 0.558 46 S N -0.327 115.308 115.700 -0.109 0.000 2.677 46 S HA 0.874 5.155 4.470 -0.314 0.000 0.290 46 S C -0.230 174.192 174.600 -0.297 0.000 1.124 46 S CA -0.614 57.433 58.200 -0.256 0.000 1.017 46 S CB 1.387 64.381 63.200 -0.343 0.000 1.215 46 S HN 0.332 nan 8.310 nan 0.000 0.524 47 F N -1.263 118.416 119.950 -0.452 0.000 2.789 47 F HA 0.882 5.219 4.527 -0.316 0.000 0.319 47 F C -1.600 173.844 175.800 -0.594 0.000 1.168 47 F CA -1.069 56.595 58.000 -0.560 0.000 0.934 47 F CB 0.413 39.245 39.000 -0.280 0.000 1.375 47 F HN 0.780 nan 8.300 nan 0.000 0.480 48 D N -2.223 118.205 120.400 0.046 0.000 2.596 48 D HA 0.366 4.817 4.640 -0.314 0.000 0.262 48 D C -1.803 174.619 176.300 0.204 0.000 1.210 48 D CA -0.569 53.499 54.000 0.112 0.000 0.873 48 D CB 1.893 42.768 40.800 0.125 0.000 1.408 48 D HN 0.485 nan 8.370 nan 0.000 0.441 49 D N -0.063 120.431 120.400 0.157 0.000 2.963 49 D HA 0.131 4.582 4.640 -0.314 0.000 0.361 49 D C 0.087 176.436 176.300 0.081 0.000 1.317 49 D CA -0.055 54.024 54.000 0.131 0.000 0.832 49 D CB 0.809 41.676 40.800 0.112 0.000 1.135 49 D HN 0.482 nan 8.370 nan 0.000 0.476 50 E N -0.133 120.129 120.200 0.103 0.000 2.265 50 E HA -0.127 4.034 4.350 -0.314 0.000 0.196 50 E C 0.978 177.628 176.600 0.084 0.000 0.996 50 E CA 0.701 57.151 56.400 0.082 0.000 0.832 50 E CB 0.328 30.086 29.700 0.097 0.000 0.756 50 E HN -0.138 nan 8.360 nan 0.000 0.491 51 R N 1.115 121.694 120.500 0.130 0.000 3.351 51 R HA 0.128 4.279 4.340 -0.314 0.000 0.296 51 R C -0.449 175.914 176.300 0.105 0.000 1.427 51 R CA -0.177 56.057 56.100 0.223 0.000 1.257 51 R CB -0.875 29.639 30.300 0.357 0.000 1.378 51 R HN 0.123 nan 8.270 nan 0.000 0.610 52 N N -0.612 118.003 118.700 -0.142 0.000 2.778 52 N HA -0.214 4.338 4.740 -0.314 0.000 0.249 52 N C 0.504 175.654 175.510 -0.601 0.000 1.069 52 N CA 1.315 54.054 53.050 -0.518 0.000 0.831 52 N CB -1.165 36.663 38.487 -1.097 0.000 1.142 52 N HN 0.583 nan 8.380 nan 0.000 0.573 53 G N -1.225 107.446 108.800 -0.216 0.000 2.179 53 G HA2 -0.284 3.487 3.960 -0.314 0.000 0.257 53 G HA3 -0.284 3.487 3.960 -0.314 0.000 0.257 53 G C 0.486 175.332 174.900 -0.091 0.000 1.010 53 G CA 0.520 45.545 45.100 -0.125 0.000 0.736 53 G HN 0.465 nan 8.290 nan 0.000 0.513 54 W N 0.028 121.371 121.300 0.072 0.000 3.290 54 W HA 0.434 4.901 4.660 -0.321 0.000 0.287 54 W C 1.521 178.169 176.519 0.216 0.000 1.288 54 W CA 0.535 57.849 57.345 -0.053 0.000 1.725 54 W CB -0.289 28.931 29.460 -0.400 0.000 1.103 54 W HN 1.378 nan 8.180 nan 0.000 0.670 55 G N 0.677 109.775 108.800 0.497 0.000 2.356 55 G HA2 -0.289 3.483 3.960 -0.314 0.000 0.233 55 G HA3 -0.289 3.483 3.960 -0.314 0.000 0.233 55 G C 1.031 176.258 174.900 0.545 0.000 1.105 55 G CA 0.467 45.854 45.100 0.480 0.000 0.861 55 G HN 0.075 nan 8.290 nan 0.000 0.493 56 S N -0.176 115.809 115.700 0.475 0.000 2.389 56 S HA -0.215 4.066 4.470 -0.314 0.000 0.229 56 S C 2.726 177.368 174.600 0.069 0.000 1.048 56 S CA 2.682 60.980 58.200 0.163 0.000 1.117 56 S CB -0.283 62.993 63.200 0.127 0.000 1.020 56 S HN 1.005 nan 8.310 nan 0.000 0.430 57 S N 1.176 116.879 115.700 0.004 0.000 2.383 57 S HA -0.077 4.204 4.470 -0.314 0.000 0.229 57 S C 2.134 176.558 174.600 -0.293 0.000 1.030 57 S CA 1.166 59.217 58.200 -0.249 0.000 1.002 57 S CB -0.700 62.048 63.200 -0.754 0.000 0.829 57 S HN 0.713 nan 8.310 nan 0.000 0.467 58 A N 1.540 124.368 122.820 0.013 0.000 1.898 58 A HA -0.021 4.111 4.320 -0.314 0.000 0.216 58 A C 1.976 179.700 177.584 0.234 0.000 1.181 58 A CA 1.061 53.284 52.037 0.311 0.000 0.620 58 A CB -0.446 18.958 19.000 0.672 0.000 0.819 58 A HN 0.417 nan 8.150 nan 0.000 0.442 59 I N 0.092 120.819 120.570 0.262 0.000 2.286 59 I HA -0.132 3.849 4.170 -0.314 0.000 0.245 59 I C 1.853 178.022 176.117 0.087 0.000 1.104 59 I CA 1.461 62.884 61.300 0.204 0.000 1.397 59 I CB -1.528 36.656 38.000 0.307 0.000 1.072 59 I HN 0.227 nan 8.210 nan 0.000 0.417 60 D N 0.948 121.403 120.400 0.092 0.000 2.178 60 D HA -0.095 4.356 4.640 -0.314 0.000 0.201 60 D C 2.158 178.621 176.300 0.273 0.000 0.980 60 D CA 1.316 55.445 54.000 0.216 0.000 0.842 60 D CB -0.120 40.800 40.800 0.200 0.000 0.948 60 D HN 0.349 nan 8.370 nan 0.000 0.472 61 G N -0.282 108.606 108.800 0.146 0.000 2.838 61 G HA2 -0.074 3.697 3.960 -0.314 0.000 0.210 61 G HA3 -0.074 3.697 3.960 -0.314 0.000 0.210 61 G C 1.438 176.400 174.900 0.104 0.000 1.153 61 G CA 0.041 45.259 45.100 0.197 0.000 0.778 61 G HN 0.220 nan 8.290 nan 0.000 0.539 62 L N 2.455 123.691 121.223 0.022 0.000 1.997 62 L HA -0.176 3.975 4.340 -0.314 0.000 0.216 62 L C 2.427 179.249 176.870 -0.079 0.000 1.074 62 L CA 2.918 57.729 54.840 -0.048 0.000 0.763 62 L CB -0.563 41.493 42.059 -0.005 0.000 0.890 62 L HN 0.385 nan 8.230 nan 0.000 0.434 63 D N -2.844 117.534 120.400 -0.038 0.000 2.219 63 D HA -0.155 4.296 4.640 -0.314 0.000 0.205 63 D C 1.792 177.976 176.300 -0.194 0.000 0.970 63 D CA 1.589 55.530 54.000 -0.098 0.000 0.851 63 D CB -0.958 39.835 40.800 -0.012 0.000 0.943 63 D HN 0.375 nan 8.370 nan 0.000 0.488 64 T N 0.305 114.765 114.554 -0.157 0.000 2.746 64 T HA -0.014 4.147 4.350 -0.314 0.000 0.267 64 T C 2.098 176.446 174.700 -0.586 0.000 1.039 64 T CA 1.767 63.669 62.100 -0.330 0.000 1.142 64 T CB -0.457 68.282 68.868 -0.215 0.000 0.866 64 T HN 0.399 nan 8.240 nan 0.000 0.444 65 A N 0.907 123.420 122.820 -0.511 0.000 1.972 65 A HA 0.013 4.144 4.320 -0.314 0.000 0.219 65 A C 2.250 179.609 177.584 -0.375 0.000 1.169 65 A CA 1.044 52.762 52.037 -0.533 0.000 0.635 65 A CB -0.702 18.103 19.000 -0.325 0.000 0.810 65 A HN 0.529 nan 8.150 nan 0.000 0.446 66 I N -0.405 119.981 120.570 -0.306 0.000 2.202 66 I HA -0.217 3.764 4.170 -0.314 0.000 0.242 66 I C 2.141 178.089 176.117 -0.283 0.000 1.091 66 I CA 1.031 62.185 61.300 -0.244 0.000 1.368 66 I CB -0.276 37.572 38.000 -0.254 0.000 1.058 66 I HN 0.269 nan 8.210 nan 0.000 0.410 67 L N -0.296 120.657 121.223 -0.449 0.000 2.275 67 L HA -0.148 4.003 4.340 -0.314 0.000 0.215 67 L C 2.278 179.062 176.870 -0.143 0.000 1.119 67 L CA 1.110 55.718 54.840 -0.386 0.000 0.790 67 L CB -0.358 41.478 42.059 -0.373 0.000 0.919 67 L HN 0.311 nan 8.230 nan 0.000 0.443 68 M N -0.881 118.493 119.600 -0.377 0.000 2.502 68 M HA 0.164 4.455 4.480 -0.314 0.000 0.243 68 M C 1.262 177.444 176.300 -0.196 0.000 1.130 68 M CA 0.641 55.650 55.300 -0.484 0.000 1.055 68 M CB 0.356 32.486 32.600 -0.783 0.000 1.457 68 M HN 0.354 nan 8.290 nan 0.000 0.488 69 G N 1.159 109.899 108.800 -0.100 0.000 2.160 69 G HA2 -0.189 3.583 3.960 -0.314 0.000 0.244 69 G HA3 -0.189 3.583 3.960 -0.314 0.000 0.244 69 G C -0.623 174.235 174.900 -0.070 0.000 1.022 69 G CA -0.130 44.953 45.100 -0.029 0.000 0.741 69 G HN 0.442 nan 8.290 nan 0.000 0.508 70 D N 0.753 121.072 120.400 -0.136 0.000 2.619 70 D HA 0.540 4.991 4.640 -0.314 0.000 0.224 70 D C 1.701 177.934 176.300 -0.111 0.000 1.133 70 D CA 0.591 54.517 54.000 -0.123 0.000 1.017 70 D CB 0.331 41.026 40.800 -0.174 0.000 1.077 70 D HN 0.476 nan 8.370 nan 0.000 0.503 71 A N 1.651 124.432 122.820 -0.064 0.000 1.869 71 A HA -0.291 3.840 4.320 -0.314 0.000 0.218 71 A C 1.779 179.327 177.584 -0.061 0.000 1.203 71 A CA 1.614 53.621 52.037 -0.050 0.000 0.638 71 A CB -0.229 18.758 19.000 -0.023 0.000 0.831 71 A HN 0.265 nan 8.150 nan 0.000 0.450 72 D N -0.187 120.185 120.400 -0.047 0.000 2.106 72 D HA -0.160 4.292 4.640 -0.314 0.000 0.191 72 D C 1.794 178.036 176.300 -0.096 0.000 0.997 72 D CA 1.568 55.546 54.000 -0.038 0.000 0.834 72 D CB -0.402 40.401 40.800 0.006 0.000 0.956 72 D HN 0.548 nan 8.370 nan 0.000 0.448 73 I N 0.151 120.608 120.570 -0.189 0.000 2.226 73 I HA -0.231 3.750 4.170 -0.314 0.000 0.245 73 I C 2.313 178.201 176.117 -0.382 0.000 1.100 73 I CA 0.545 61.583 61.300 -0.436 0.000 1.374 73 I CB -0.205 37.354 38.000 -0.734 0.000 1.057 73 I HN -0.069 nan 8.210 nan 0.000 0.413 74 V N 1.298 121.062 119.914 -0.251 0.000 2.287 74 V HA -0.324 3.607 4.120 -0.314 0.000 0.248 74 V C 2.365 178.398 176.094 -0.101 0.000 1.053 74 V CA 2.318 64.515 62.300 -0.172 0.000 1.027 74 V CB -0.962 30.791 31.823 -0.117 0.000 0.646 74 V HN 0.580 nan 8.190 nan 0.000 0.447 75 N N 0.155 118.811 118.700 -0.074 0.000 2.120 75 N HA -0.189 4.362 4.740 -0.314 0.000 0.188 75 N C 1.762 177.264 175.510 -0.012 0.000 1.024 75 N CA 2.195 55.229 53.050 -0.027 0.000 0.852 75 N CB -0.108 38.371 38.487 -0.014 0.000 1.003 75 N HN 0.515 nan 8.380 nan 0.000 0.424 76 T N 1.721 116.244 114.554 -0.051 0.000 2.684 76 T HA -0.066 4.096 4.350 -0.314 0.000 0.267 76 T C 2.073 176.787 174.700 0.022 0.000 1.036 76 T CA 1.324 63.396 62.100 -0.046 0.000 1.148 76 T CB -0.112 68.669 68.868 -0.145 0.000 0.863 76 T HN 0.259 nan 8.240 nan 0.000 0.436 77 I N 0.592 121.164 120.570 0.004 0.000 2.286 77 I HA -0.081 3.901 4.170 -0.314 0.000 0.245 77 I C 2.304 178.542 176.117 0.202 0.000 1.104 77 I CA 1.039 62.434 61.300 0.159 0.000 1.397 77 I CB -0.480 37.556 38.000 0.060 0.000 1.072 77 I HN 0.172 nan 8.210 nan 0.000 0.417 78 L N 0.297 121.578 121.223 0.097 0.000 2.079 78 L HA -0.238 3.913 4.340 -0.314 0.000 0.210 78 L C 2.720 179.652 176.870 0.104 0.000 1.081 78 L CA 1.275 56.166 54.840 0.086 0.000 0.752 78 L CB -0.630 41.457 42.059 0.045 0.000 0.896 78 L HN 0.366 nan 8.230 nan 0.000 0.433 79 Q N -1.109 118.764 119.800 0.122 0.000 2.224 79 Q HA -0.218 3.933 4.340 -0.314 0.000 0.203 79 Q C 1.958 178.074 176.000 0.193 0.000 0.970 79 Q CA 1.549 57.429 55.803 0.129 0.000 0.865 79 Q CB -0.175 28.636 28.738 0.122 0.000 0.922 79 Q HN 0.618 nan 8.270 nan 0.000 0.445 80 Y N 0.692 121.073 120.300 0.136 0.000 2.269 80 Y HA -0.149 4.211 4.550 -0.317 0.000 0.294 80 Y C 2.187 178.147 175.900 0.100 0.000 1.120 80 Y CA 0.548 58.752 58.100 0.173 0.000 1.159 80 Y CB 0.072 38.760 38.460 0.380 0.000 1.024 80 Y HN -0.200 nan 8.280 nan 0.000 0.532 81 V N 1.879 121.755 119.914 -0.065 0.000 2.250 81 V HA -0.333 3.599 4.120 -0.314 0.000 0.253 81 V C -0.469 175.495 176.094 -0.218 0.000 1.065 81 V CA 2.673 64.873 62.300 -0.166 0.000 1.039 81 V CB -2.004 29.826 31.823 0.013 0.000 0.647 81 V HN 0.357 nan 8.190 nan 0.000 0.446 82 P HA -0.155 nan 4.420 nan 0.000 0.221 82 P C 1.651 178.857 177.300 -0.157 0.000 1.145 82 P CA 1.274 64.312 63.100 -0.103 0.000 0.795 82 P CB -0.068 31.606 31.700 -0.044 0.000 0.775 83 Q N -1.031 118.634 119.800 -0.224 0.000 2.245 83 Q HA 0.039 4.190 4.340 -0.314 0.000 0.201 83 Q C 0.712 176.512 176.000 -0.333 0.000 0.955 83 Q CA 0.143 55.814 55.803 -0.219 0.000 0.870 83 Q CB -0.237 28.426 28.738 -0.124 0.000 0.945 83 Q HN 0.299 nan 8.270 nan 0.000 0.461 84 I N 2.030 122.262 120.570 -0.564 0.000 2.752 84 I HA -0.087 3.894 4.170 -0.314 0.000 0.287 84 I C 0.431 176.236 176.117 -0.520 0.000 1.188 84 I CA -0.007 60.904 61.300 -0.647 0.000 1.427 84 I CB 0.217 37.593 38.000 -1.040 0.000 1.365 84 I HN 0.046 nan 8.210 nan 0.000 0.585 85 N N 5.933 124.405 118.700 -0.380 0.000 2.707 85 N HA 0.202 4.753 4.740 -0.314 0.000 0.235 85 N C -0.182 175.239 175.510 -0.149 0.000 1.028 85 N CA -0.334 52.604 53.050 -0.187 0.000 0.906 85 N CB 0.350 38.824 38.487 -0.022 0.000 1.131 85 N HN 0.348 nan 8.380 nan 0.000 0.509 86 F N 0.600 120.420 119.950 -0.216 0.000 2.725 86 F HA 0.072 4.411 4.527 -0.314 0.000 0.303 86 F C 2.038 177.781 175.800 -0.095 0.000 1.167 86 F CA 0.308 58.060 58.000 -0.413 0.000 1.403 86 F CB -0.173 38.478 39.000 -0.581 0.000 1.077 86 F HN 0.380 nan 8.300 nan 0.000 0.537 87 T N -4.748 109.905 114.554 0.165 0.000 3.085 87 T HA 0.299 4.461 4.350 -0.314 0.000 0.264 87 T C 0.537 175.374 174.700 0.228 0.000 1.019 87 T CA 0.167 62.292 62.100 0.043 0.000 0.910 87 T CB 0.242 69.097 68.868 -0.022 0.000 1.059 87 T HN 0.104 nan 8.240 nan 0.000 0.542 88 T N 1.212 116.072 114.554 0.511 0.000 2.677 88 T HA 0.571 4.732 4.350 -0.314 0.000 0.305 88 T C -1.802 173.191 174.700 0.488 0.000 1.569 88 T CA -0.030 62.359 62.100 0.482 0.000 0.984 88 T CB 1.375 70.390 68.868 0.245 0.000 1.629 88 T HN 0.454 nan 8.240 nan 0.000 0.494 89 T N -0.178 114.512 114.554 0.226 0.000 2.900 89 T HA 0.745 4.906 4.350 -0.314 0.000 0.295 89 T C 1.369 176.065 174.700 -0.007 0.000 1.044 89 T CA -0.067 62.022 62.100 -0.019 0.000 0.995 89 T CB 1.484 70.266 68.868 -0.143 0.000 1.072 89 T HN 0.863 nan 8.240 nan 0.000 0.473 90 A N 2.198 124.978 122.820 -0.067 0.000 1.940 90 A HA 0.211 4.342 4.320 -0.314 0.000 0.219 90 A C 1.111 178.691 177.584 -0.007 0.000 1.176 90 A CA 1.054 53.075 52.037 -0.026 0.000 0.631 90 A CB -0.710 18.267 19.000 -0.038 0.000 0.814 90 A HN 0.809 nan 8.150 nan 0.000 0.446 91 V N 0.412 120.312 119.914 -0.024 0.000 2.461 91 V HA 0.505 4.436 4.120 -0.314 0.000 0.275 91 V C 0.708 176.819 176.094 0.028 0.000 1.047 91 V CA -0.595 61.705 62.300 0.000 0.000 0.955 91 V CB 0.617 32.433 31.823 -0.010 0.000 0.988 91 V HN 0.523 nan 8.190 nan 0.000 0.471 92 A N 4.528 127.372 122.820 0.041 0.000 2.425 92 A HA 0.382 4.514 4.320 -0.314 0.000 0.249 92 A C 1.046 178.678 177.584 0.079 0.000 1.084 92 A CA -0.154 51.919 52.037 0.061 0.000 0.781 92 A CB -0.280 18.745 19.000 0.041 0.000 1.019 92 A HN 1.051 nan 8.150 nan 0.000 0.490 93 N N -0.318 118.452 118.700 0.116 0.000 2.714 93 N HA -0.173 4.379 4.740 -0.314 0.000 0.250 93 N C 0.013 175.721 175.510 0.330 0.000 1.117 93 N CA 1.510 54.645 53.050 0.142 0.000 0.719 93 N CB -1.041 37.447 38.487 0.002 0.000 1.081 93 N HN 0.946 nan 8.380 nan 0.000 0.557 94 Q N 0.728 120.686 119.800 0.264 0.000 2.288 94 Q HA 0.428 4.579 4.340 -0.314 0.000 0.258 94 Q C 0.673 176.688 176.000 0.024 0.000 0.957 94 Q CA -0.210 55.680 55.803 0.144 0.000 0.919 94 Q CB 0.669 29.402 28.738 -0.007 0.000 1.185 94 Q HN 0.307 nan 8.270 nan 0.000 0.408 95 G N 2.106 110.833 108.800 -0.121 0.000 2.491 95 G HA2 0.202 3.973 3.960 -0.314 0.000 0.242 95 G HA3 0.202 3.973 3.960 -0.314 0.000 0.242 95 G C -0.769 173.864 174.900 -0.446 0.000 1.266 95 G CA -0.332 44.375 45.100 -0.656 0.000 0.844 95 G HN 0.497 nan 8.290 nan 0.000 0.571 96 S N 0.198 115.592 115.700 -0.511 0.000 2.561 96 S HA 0.480 4.762 4.470 -0.314 0.000 0.303 96 S C 0.058 174.565 174.600 -0.155 0.000 1.110 96 S CA -0.552 57.476 58.200 -0.287 0.000 1.034 96 S CB 1.415 64.407 63.200 -0.345 0.000 1.010 96 S HN 0.796 nan 8.310 nan 0.000 0.482 97 S N 4.360 120.044 115.700 -0.028 0.000 2.465 97 S HA 0.189 4.471 4.470 -0.314 0.000 0.280 97 S C 1.437 176.105 174.600 0.113 0.000 1.232 97 S CA -0.685 57.547 58.200 0.053 0.000 1.066 97 S CB 0.070 63.342 63.200 0.121 0.000 0.929 97 S HN 0.651 nan 8.310 nan 0.000 0.494 98 V N 6.780 126.752 119.914 0.098 0.000 2.287 98 V HA -0.149 3.783 4.120 -0.314 0.000 0.248 98 V C 1.833 178.061 176.094 0.223 0.000 1.053 98 V CA 2.327 64.711 62.300 0.141 0.000 1.027 98 V CB -1.134 30.716 31.823 0.044 0.000 0.646 98 V HN 0.952 nan 8.190 nan 0.000 0.447 99 F N 1.493 121.489 119.950 0.078 0.000 2.051 99 F HA -0.157 4.104 4.527 -0.443 0.000 0.296 99 F C 2.546 178.435 175.800 0.149 0.000 1.122 99 F CA 2.068 60.128 58.000 0.100 0.000 1.201 99 F CB -0.452 38.575 39.000 0.045 0.000 0.978 99 F HN 0.114 nan 8.300 nan 0.000 0.472 100 E N 0.006 120.151 120.200 -0.092 0.000 2.085 100 E HA -0.171 3.990 4.350 -0.314 0.000 0.194 100 E C 2.249 178.855 176.600 0.010 0.000 0.994 100 E CA 1.951 58.253 56.400 -0.163 0.000 0.801 100 E CB -1.116 28.628 29.700 0.075 0.000 0.743 100 E HN 0.445 nan 8.360 nan 0.000 0.453 101 T N 1.375 116.039 114.554 0.183 0.000 2.746 101 T HA -0.159 4.003 4.350 -0.314 0.000 0.267 101 T C 1.783 176.653 174.700 0.283 0.000 1.039 101 T CA 1.524 63.849 62.100 0.376 0.000 1.142 101 T CB -0.333 68.772 68.868 0.394 0.000 0.866 101 T HN 0.202 nan 8.240 nan 0.000 0.444 102 N N 1.695 120.522 118.700 0.212 0.000 2.039 102 N HA -0.092 4.460 4.740 -0.314 0.000 0.193 102 N C 1.934 177.562 175.510 0.196 0.000 1.044 102 N CA 1.677 54.878 53.050 0.251 0.000 0.847 102 N CB -0.437 38.269 38.487 0.365 0.000 1.030 102 N HN 0.594 nan 8.380 nan 0.000 0.422 103 I N -2.378 118.238 120.570 0.077 0.000 2.394 103 I HA -0.121 3.860 4.170 -0.314 0.000 0.251 103 I C 2.072 178.306 176.117 0.196 0.000 1.136 103 I CA 1.022 62.390 61.300 0.114 0.000 1.425 103 I CB -0.226 37.705 38.000 -0.115 0.000 1.079 103 I HN 0.107 nan 8.210 nan 0.000 0.425 104 R N 0.152 120.708 120.500 0.093 0.000 2.041 104 R HA 0.061 4.213 4.340 -0.314 0.000 0.221 104 R C 2.327 178.607 176.300 -0.034 0.000 1.196 104 R CA 1.504 57.636 56.100 0.053 0.000 0.969 104 R CB -0.709 29.490 30.300 -0.169 0.000 0.858 104 R HN 0.318 nan 8.270 nan 0.000 0.444 105 Y N 0.859 121.218 120.300 0.098 0.000 2.092 105 Y HA -0.218 4.147 4.550 -0.307 0.000 0.282 105 Y C 2.359 178.181 175.900 -0.130 0.000 1.126 105 Y CA 0.810 58.911 58.100 0.001 0.000 1.111 105 Y CB -0.420 38.021 38.460 -0.030 0.000 0.987 105 Y HN 0.007 nan 8.280 nan 0.000 0.489 106 L N 0.320 121.557 121.223 0.024 0.000 2.012 106 L HA -0.132 4.019 4.340 -0.314 0.000 0.210 106 L C 2.400 179.252 176.870 -0.030 0.000 1.073 106 L CA 2.249 57.020 54.840 -0.116 0.000 0.748 106 L CB -1.299 40.688 42.059 -0.120 0.000 0.891 106 L HN 0.275 nan 8.230 nan 0.000 0.431 107 G N -1.395 107.494 108.800 0.148 0.000 2.421 107 G HA2 -0.218 3.553 3.960 -0.314 0.000 0.216 107 G HA3 -0.218 3.553 3.960 -0.314 0.000 0.216 107 G C 1.535 176.464 174.900 0.049 0.000 1.171 107 G CA 0.623 45.961 45.100 0.397 0.000 0.775 107 G HN 0.596 nan 8.290 nan 0.000 0.543 108 G N 0.772 109.322 108.800 -0.418 0.000 2.418 108 G HA2 -0.138 3.633 3.960 -0.314 0.000 0.217 108 G HA3 -0.138 3.633 3.960 -0.314 0.000 0.217 108 G C 1.825 176.609 174.900 -0.194 0.000 1.158 108 G CA 0.804 45.489 45.100 -0.692 0.000 0.771 108 G HN 0.426 nan 8.290 nan 0.000 0.545 109 L N -0.589 120.581 121.223 -0.088 0.000 2.056 109 L HA 0.024 4.175 4.340 -0.314 0.000 0.207 109 L C 2.724 179.579 176.870 -0.025 0.000 1.078 109 L CA 0.230 55.042 54.840 -0.047 0.000 0.749 109 L CB -0.339 41.656 42.059 -0.107 0.000 0.901 109 L HN 0.117 nan 8.230 nan 0.000 0.433 110 L N -0.359 120.824 121.223 -0.067 0.000 2.093 110 L HA -0.150 4.001 4.340 -0.314 0.000 0.208 110 L C 2.884 179.844 176.870 0.151 0.000 1.085 110 L CA 1.950 56.730 54.840 -0.100 0.000 0.755 110 L CB -0.837 40.915 42.059 -0.513 0.000 0.904 110 L HN 0.353 nan 8.230 nan 0.000 0.435 111 S N -0.932 114.988 115.700 0.367 0.000 2.368 111 S HA -0.130 4.151 4.470 -0.314 0.000 0.224 111 S C 2.167 176.884 174.600 0.196 0.000 1.029 111 S CA 0.794 59.242 58.200 0.413 0.000 0.988 111 S CB -0.752 62.653 63.200 0.341 0.000 0.838 111 S HN 0.305 nan 8.310 nan 0.000 0.462 112 A N 0.807 123.693 122.820 0.111 0.000 1.902 112 A HA -0.031 4.100 4.320 -0.314 0.000 0.217 112 A C 2.078 179.724 177.584 0.103 0.000 1.181 112 A CA 1.571 53.644 52.037 0.060 0.000 0.623 112 A CB -1.278 17.744 19.000 0.038 0.000 0.818 112 A HN 0.645 nan 8.150 nan 0.000 0.443 113 Y N 1.073 121.379 120.300 0.010 0.000 2.145 113 Y HA -0.220 4.140 4.550 -0.316 0.000 0.286 113 Y C 1.946 177.872 175.900 0.044 0.000 1.145 113 Y CA 2.096 60.198 58.100 0.003 0.000 1.148 113 Y CB -0.214 38.220 38.460 -0.043 0.000 0.981 113 Y HN 0.343 nan 8.280 nan 0.000 0.507 114 D N 0.015 120.491 120.400 0.128 0.000 2.144 114 D HA -0.172 4.279 4.640 -0.314 0.000 0.199 114 D C 2.298 178.693 176.300 0.160 0.000 0.984 114 D CA 1.502 55.569 54.000 0.112 0.000 0.834 114 D CB -0.294 40.659 40.800 0.256 0.000 0.955 114 D HN 0.405 nan 8.370 nan 0.000 0.465 115 L N 0.142 121.456 121.223 0.151 0.000 2.044 115 L HA -0.071 4.080 4.340 -0.314 0.000 0.205 115 L C 2.468 179.404 176.870 0.109 0.000 1.075 115 L CA 0.577 55.486 54.840 0.115 0.000 0.747 115 L CB -0.325 41.670 42.059 -0.107 0.000 0.903 115 L HN 0.010 nan 8.230 nan 0.000 0.435 116 L N -0.515 120.720 121.223 0.018 0.000 2.362 116 L HA -0.128 4.024 4.340 -0.314 0.000 0.219 116 L C 2.366 179.197 176.870 -0.065 0.000 1.134 116 L CA 0.889 55.725 54.840 -0.006 0.000 0.807 116 L CB -0.352 41.691 42.059 -0.026 0.000 0.927 116 L HN 0.263 nan 8.230 nan 0.000 0.447 117 R N -0.927 119.490 120.500 -0.137 0.000 2.308 117 R HA 0.150 4.301 4.340 -0.314 0.000 0.202 117 R C 1.281 177.547 176.300 -0.057 0.000 0.898 117 R CA 0.383 56.379 56.100 -0.173 0.000 1.046 117 R CB 0.570 30.641 30.300 -0.383 0.000 1.026 117 R HN 0.303 nan 8.270 nan 0.000 0.512 118 G N 1.606 110.429 108.800 0.038 0.000 3.392 118 G HA2 0.062 3.834 3.960 -0.314 0.000 0.188 118 G HA3 0.062 3.834 3.960 -0.314 0.000 0.188 118 G C -1.679 173.285 174.900 0.106 0.000 1.485 118 G CA -0.309 44.859 45.100 0.113 0.000 0.943 118 G HN -0.058 nan 8.290 nan 0.000 0.627 119 P HA 0.130 nan 4.420 nan 0.000 0.242 119 P C -0.359 176.782 177.300 -0.264 0.000 1.197 119 P CA 0.700 63.785 63.100 -0.024 0.000 0.765 119 P CB -0.003 31.700 31.700 0.005 0.000 0.936 120 F N -0.222 119.704 119.950 -0.040 0.000 2.815 120 F HA 0.130 4.471 4.527 -0.310 0.000 0.323 120 F C 1.984 177.754 175.800 -0.050 0.000 1.151 120 F CA -0.116 57.850 58.000 -0.055 0.000 1.191 120 F CB -0.213 38.740 39.000 -0.078 0.000 1.069 120 F HN -0.147 nan 8.300 nan 0.000 0.514 121 S N -0.844 114.890 115.700 0.058 0.000 2.442 121 S HA -0.209 4.072 4.470 -0.314 0.000 0.236 121 S C 2.237 176.840 174.600 0.005 0.000 1.007 121 S CA 1.344 59.556 58.200 0.018 0.000 0.965 121 S CB -0.736 62.457 63.200 -0.012 0.000 0.773 121 S HN 0.413 nan 8.310 nan 0.000 0.504 122 S N 2.194 117.888 115.700 -0.010 0.000 2.399 122 S HA 0.057 4.338 4.470 -0.314 0.000 0.231 122 S C 1.534 176.135 174.600 0.002 0.000 1.022 122 S CA 0.737 58.927 58.200 -0.016 0.000 0.983 122 S CB -0.914 62.261 63.200 -0.040 0.000 0.803 122 S HN 0.480 nan 8.310 nan 0.000 0.480 123 L N 1.609 122.848 121.223 0.028 0.000 2.749 123 L HA 0.337 4.488 4.340 -0.314 0.000 0.245 123 L C 0.746 177.621 176.870 0.008 0.000 1.156 123 L CA 0.515 55.370 54.840 0.026 0.000 0.890 123 L CB -0.590 41.503 42.059 0.057 0.000 1.036 123 L HN 0.540 nan 8.230 nan 0.000 0.441 124 A N -1.964 120.860 122.820 0.006 0.000 2.513 124 A HA 0.503 4.635 4.320 -0.314 0.000 0.296 124 A C 0.506 178.090 177.584 0.000 0.000 1.052 124 A CA 0.045 52.083 52.037 0.002 0.000 0.714 124 A CB 0.794 19.796 19.000 0.004 0.000 1.279 124 A HN 0.128 nan 8.150 nan 0.000 0.397 125 T N -1.174 113.381 114.554 0.002 0.000 3.071 125 T HA 0.119 4.280 4.350 -0.314 0.000 0.239 125 T C 0.706 175.409 174.700 0.004 0.000 0.997 125 T CA 0.594 62.694 62.100 0.001 0.000 1.134 125 T CB -0.344 68.525 68.868 0.002 0.000 0.928 125 T HN 0.504 nan 8.240 nan 0.000 0.453 126 N N 2.568 121.273 118.700 0.009 0.000 2.406 126 N HA 0.052 4.603 4.740 -0.314 0.000 0.274 126 N C 1.096 176.615 175.510 0.016 0.000 1.249 126 N CA 0.018 53.076 53.050 0.013 0.000 0.951 126 N CB 0.666 39.163 38.487 0.017 0.000 1.241 126 N HN 0.317 nan 8.380 nan 0.000 0.485 127 Q N 1.855 121.663 119.800 0.013 0.000 2.226 127 Q HA -0.082 4.070 4.340 -0.314 0.000 0.204 127 Q C 1.067 177.086 176.000 0.031 0.000 0.975 127 Q CA 1.300 57.114 55.803 0.018 0.000 0.866 127 Q CB -0.117 28.629 28.738 0.012 0.000 0.915 127 Q HN 0.620 nan 8.270 nan 0.000 0.440 128 T N 1.339 115.908 114.554 0.025 0.000 2.867 128 T HA -0.090 4.071 4.350 -0.314 0.000 0.268 128 T C 1.775 176.494 174.700 0.031 0.000 1.057 128 T CA 0.541 62.656 62.100 0.025 0.000 1.136 128 T CB -0.034 68.844 68.868 0.016 0.000 0.874 128 T HN 0.043 nan 8.240 nan 0.000 0.466 129 L N 0.885 122.127 121.223 0.033 0.000 2.072 129 L HA 0.034 4.185 4.340 -0.314 0.000 0.205 129 L C 2.574 179.478 176.870 0.057 0.000 1.079 129 L CA 1.139 56.001 54.840 0.038 0.000 0.752 129 L CB -1.026 41.055 42.059 0.036 0.000 0.906 129 L HN 0.121 nan 8.230 nan 0.000 0.436 130 V N 0.054 120.008 119.914 0.066 0.000 2.295 130 V HA -0.295 3.637 4.120 -0.314 0.000 0.246 130 V C 2.251 178.465 176.094 0.199 0.000 1.049 130 V CA 1.711 64.076 62.300 0.108 0.000 1.024 130 V CB -0.728 31.128 31.823 0.056 0.000 0.648 130 V HN 0.467 nan 8.190 nan 0.000 0.447 131 N N 0.236 119.029 118.700 0.155 0.000 2.205 131 N HA -0.137 4.415 4.740 -0.314 0.000 0.186 131 N C 2.045 177.572 175.510 0.029 0.000 1.015 131 N CA 1.614 54.747 53.050 0.139 0.000 0.862 131 N CB -0.479 38.053 38.487 0.076 0.000 0.986 131 N HN 0.400 nan 8.380 nan 0.000 0.429 132 S N 0.875 116.590 115.700 0.025 0.000 2.383 132 S HA -0.020 4.261 4.470 -0.314 0.000 0.229 132 S C 2.001 176.578 174.600 -0.038 0.000 1.030 132 S CA 0.611 58.803 58.200 -0.013 0.000 1.002 132 S CB -0.241 62.959 63.200 -0.000 0.000 0.829 132 S HN 0.274 nan 8.310 nan 0.000 0.467 133 L N 0.635 121.858 121.223 -0.000 0.000 1.990 133 L HA -0.181 3.971 4.340 -0.314 0.000 0.213 133 L C 2.441 179.195 176.870 -0.193 0.000 1.072 133 L CA 1.156 55.980 54.840 -0.028 0.000 0.755 133 L CB -0.678 41.434 42.059 0.087 0.000 0.889 133 L HN 0.302 nan 8.230 nan 0.000 0.432 134 L N -0.346 120.654 121.223 -0.373 0.000 2.056 134 L HA -0.165 3.987 4.340 -0.314 0.000 0.207 134 L C 2.874 179.518 176.870 -0.377 0.000 1.078 134 L CA 1.599 56.084 54.840 -0.591 0.000 0.749 134 L CB -0.619 40.820 42.059 -1.034 0.000 0.901 134 L HN -0.051 nan 8.230 nan 0.000 0.433 135 R N -0.998 119.351 120.500 -0.252 0.000 2.073 135 R HA -0.095 4.056 4.340 -0.314 0.000 0.234 135 R C 2.311 178.500 176.300 -0.185 0.000 1.134 135 R CA 1.480 57.469 56.100 -0.185 0.000 0.952 135 R CB -1.249 28.983 30.300 -0.113 0.000 0.850 135 R HN 0.621 nan 8.270 nan 0.000 0.433 136 Q N -0.237 119.474 119.800 -0.149 0.000 2.170 136 Q HA 0.060 4.211 4.340 -0.314 0.000 0.203 136 Q C 2.365 178.167 176.000 -0.329 0.000 0.976 136 Q CA 1.664 57.402 55.803 -0.107 0.000 0.858 136 Q CB -0.479 28.298 28.738 0.065 0.000 0.907 136 Q HN 0.526 nan 8.270 nan 0.000 0.433 137 A N 0.850 123.441 122.820 -0.383 0.000 1.898 137 A HA -0.243 3.888 4.320 -0.314 0.000 0.216 137 A C 2.066 179.317 177.584 -0.554 0.000 1.181 137 A CA 1.706 53.438 52.037 -0.508 0.000 0.620 137 A CB -0.573 18.147 19.000 -0.467 0.000 0.819 137 A HN 0.405 nan 8.150 nan 0.000 0.442 138 Q N -0.842 118.668 119.800 -0.483 0.000 2.119 138 Q HA -0.140 4.011 4.340 -0.314 0.000 0.201 138 Q C 1.981 177.767 176.000 -0.357 0.000 0.972 138 Q CA 1.978 57.486 55.803 -0.491 0.000 0.847 138 Q CB -0.281 28.248 28.738 -0.348 0.000 0.903 138 Q HN 0.587 nan 8.270 nan 0.000 0.433 139 T N 1.482 115.868 114.554 -0.281 0.000 2.708 139 T HA -0.155 4.006 4.350 -0.314 0.000 0.266 139 T C 1.704 176.251 174.700 -0.257 0.000 1.037 139 T CA 1.132 63.109 62.100 -0.204 0.000 1.146 139 T CB -0.258 68.536 68.868 -0.123 0.000 0.865 139 T HN 0.285 nan 8.240 nan 0.000 0.435 140 L N 0.573 121.552 121.223 -0.407 0.000 1.994 140 L HA -0.138 4.014 4.340 -0.314 0.000 0.208 140 L C 2.860 179.574 176.870 -0.260 0.000 1.071 140 L CA 1.655 56.222 54.840 -0.456 0.000 0.745 140 L CB -0.642 40.888 42.059 -0.882 0.000 0.892 140 L HN 0.292 nan 8.230 nan 0.000 0.431 141 A N -0.266 122.315 122.820 -0.398 0.000 1.972 141 A HA -0.231 3.900 4.320 -0.314 0.000 0.219 141 A C 1.829 179.374 177.584 -0.064 0.000 1.169 141 A CA 1.801 53.589 52.037 -0.415 0.000 0.635 141 A CB -0.620 17.747 19.000 -1.056 0.000 0.810 141 A HN 0.542 nan 8.150 nan 0.000 0.446 142 N N -0.058 118.599 118.700 -0.073 0.000 2.453 142 N HA -0.083 4.469 4.740 -0.314 0.000 0.183 142 N C 1.617 177.147 175.510 0.033 0.000 1.041 142 N CA 1.233 54.318 53.050 0.057 0.000 0.900 142 N CB -0.301 38.186 38.487 0.000 0.000 0.961 142 N HN 0.533 nan 8.380 nan 0.000 0.443 143 G N -0.134 108.632 108.800 -0.057 0.000 2.559 143 G HA2 -0.032 3.739 3.960 -0.314 0.000 0.209 143 G HA3 -0.032 3.739 3.960 -0.314 0.000 0.209 143 G C 1.426 176.479 174.900 0.255 0.000 1.151 143 G CA -0.081 44.900 45.100 -0.197 0.000 0.824 143 G HN 0.092 nan 8.290 nan 0.000 0.543 144 L N 1.832 123.318 121.223 0.439 0.000 2.131 144 L HA -0.011 4.141 4.340 -0.314 0.000 0.210 144 L C 2.839 180.057 176.870 0.580 0.000 1.092 144 L CA 1.834 57.014 54.840 0.567 0.000 0.759 144 L CB -0.529 41.903 42.059 0.621 0.000 0.903 144 L HN 0.484 nan 8.230 nan 0.000 0.435 145 K N -1.325 119.497 120.400 0.704 0.000 2.360 145 K HA -0.148 3.984 4.320 -0.314 0.000 0.201 145 K C 1.872 178.768 176.600 0.495 0.000 1.046 145 K CA 1.270 58.013 56.287 0.760 0.000 0.940 145 K CB -0.831 32.069 32.500 0.668 0.000 0.748 145 K HN 0.174 nan 8.250 nan 0.000 0.465 146 V N 1.241 121.357 119.914 0.336 0.000 2.867 146 V HA -0.169 3.763 4.120 -0.314 0.000 0.260 146 V C 2.340 178.534 176.094 0.166 0.000 1.099 146 V CA 1.659 64.100 62.300 0.235 0.000 1.122 146 V CB -0.553 31.399 31.823 0.215 0.000 0.708 146 V HN 0.546 nan 8.190 nan 0.000 0.490 147 A N -0.528 122.350 122.820 0.097 0.000 2.019 147 A HA -0.133 3.998 4.320 -0.314 0.000 0.219 147 A C 1.704 179.125 177.584 -0.272 0.000 1.164 147 A CA 1.792 53.741 52.037 -0.148 0.000 0.644 147 A CB -0.688 18.102 19.000 -0.349 0.000 0.805 147 A HN 0.621 nan 8.150 nan 0.000 0.449 148 F N 0.509 120.470 119.950 0.017 0.000 2.773 148 F HA 0.057 4.393 4.527 -0.318 0.000 0.304 148 F C 1.789 177.604 175.800 0.025 0.000 1.129 148 F CA 0.954 58.953 58.000 -0.001 0.000 1.378 148 F CB -0.244 38.744 39.000 -0.020 0.000 1.095 148 F HN 0.198 nan 8.300 nan 0.000 0.565 149 T N -1.997 112.655 114.554 0.164 0.000 3.500 149 T HA 0.094 4.256 4.350 -0.314 0.000 0.244 149 T C 0.624 175.368 174.700 0.073 0.000 0.962 149 T CA -0.199 61.973 62.100 0.121 0.000 0.932 149 T CB -1.390 67.544 68.868 0.110 0.000 1.096 149 T HN 0.156 nan 8.240 nan 0.000 0.617 150 T N -1.463 113.125 114.554 0.057 0.000 2.902 150 T HA 0.432 4.594 4.350 -0.314 0.000 0.280 150 T C -1.740 172.975 174.700 0.025 0.000 0.992 150 T CA -1.838 60.272 62.100 0.017 0.000 1.015 150 T CB 1.152 70.003 68.868 -0.028 0.000 1.044 150 T HN -0.153 nan 8.240 nan 0.000 0.520 151 P HA -0.097 nan 4.420 nan 0.000 0.216 151 P C 1.736 179.049 177.300 0.022 0.000 1.150 151 P CA 1.265 64.373 63.100 0.013 0.000 0.837 151 P CB -0.004 31.694 31.700 -0.003 0.000 0.786 152 S N -2.807 112.879 115.700 -0.025 0.000 2.470 152 S HA 0.275 4.557 4.470 -0.314 0.000 0.222 152 S C 1.763 176.410 174.600 0.078 0.000 1.024 152 S CA 0.791 58.968 58.200 -0.039 0.000 0.931 152 S CB -0.594 62.396 63.200 -0.350 0.000 0.791 152 S HN 0.270 nan 8.310 nan 0.000 0.513 153 G N 0.402 109.241 108.800 0.065 0.000 2.218 153 G HA2 -0.205 3.566 3.960 -0.314 0.000 0.216 153 G HA3 -0.205 3.566 3.960 -0.314 0.000 0.216 153 G C 0.024 175.029 174.900 0.175 0.000 0.994 153 G CA -0.154 45.057 45.100 0.184 0.000 0.637 153 G HN 0.663 nan 8.290 nan 0.000 0.505 154 V N 4.395 124.291 119.914 -0.030 0.000 2.485 154 V HA 0.317 4.248 4.120 -0.314 0.000 0.287 154 V C -0.915 175.111 176.094 -0.113 0.000 1.022 154 V CA -0.640 61.608 62.300 -0.088 0.000 1.067 154 V CB 0.891 32.552 31.823 -0.271 0.000 0.967 154 V HN 0.330 nan 8.190 nan 0.000 0.479 155 P HA -0.007 nan 4.420 nan 0.000 0.266 155 P C -0.554 176.576 177.300 -0.283 0.000 1.195 155 P CA -0.078 62.742 63.100 -0.467 0.000 0.768 155 P CB 0.748 31.965 31.700 -0.805 0.000 0.838 156 D N 4.042 124.294 120.400 -0.246 0.000 2.308 156 D HA 0.085 4.537 4.640 -0.314 0.000 0.251 156 D C -1.161 175.056 176.300 -0.138 0.000 1.127 156 D CA -2.250 51.667 54.000 -0.138 0.000 0.876 156 D CB 1.095 41.851 40.800 -0.074 0.000 1.176 156 D HN 0.206 nan 8.370 nan 0.000 0.446 157 P HA -0.057 nan 4.420 nan 0.000 0.220 157 P C 0.006 177.277 177.300 -0.049 0.000 1.148 157 P CA 0.634 63.697 63.100 -0.062 0.000 0.803 157 P CB 0.383 32.057 31.700 -0.043 0.000 0.782 158 T N 0.594 115.109 114.554 -0.066 0.000 2.861 158 T HA 0.491 4.652 4.350 -0.314 0.000 0.287 158 T C -0.259 174.360 174.700 -0.135 0.000 1.003 158 T CA -0.548 61.474 62.100 -0.130 0.000 0.977 158 T CB 2.378 71.151 68.868 -0.158 0.000 0.996 158 T HN -0.100 nan 8.240 nan 0.000 0.448 159 V N -0.237 119.534 119.914 -0.239 0.000 3.158 159 V HA 0.941 4.873 4.120 -0.314 0.000 0.311 159 V C -1.756 174.109 176.094 -0.382 0.000 1.181 159 V CA -1.229 61.018 62.300 -0.088 0.000 1.054 159 V CB 1.830 33.731 31.823 0.130 0.000 1.085 159 V HN 0.741 nan 8.190 nan 0.000 0.446 160 F N -0.138 119.896 119.950 0.140 0.000 2.576 160 F HA 0.676 5.017 4.527 -0.309 0.000 0.313 160 F C 0.390 176.450 175.800 0.433 0.000 1.078 160 F CA -0.712 57.370 58.000 0.137 0.000 0.921 160 F CB 2.180 41.244 39.000 0.107 0.000 1.232 160 F HN 0.444 nan 8.300 nan 0.000 0.459 161 F N -0.603 119.521 119.950 0.290 0.000 2.680 161 F HA 0.183 4.522 4.527 -0.313 0.000 0.290 161 F C 0.704 176.615 175.800 0.185 0.000 1.114 161 F CA -0.190 57.948 58.000 0.230 0.000 1.333 161 F CB 0.633 39.790 39.000 0.261 0.000 1.091 161 F HN 0.352 nan 8.300 nan 0.000 0.606 162 N N 1.744 120.670 118.700 0.377 0.000 2.407 162 N HA 0.211 4.762 4.740 -0.314 0.000 0.277 162 N C -2.035 173.578 175.510 0.173 0.000 0.995 162 N CA -2.340 50.848 53.050 0.230 0.000 0.903 162 N CB 1.996 40.593 38.487 0.184 0.000 1.218 162 N HN -0.177 nan 8.380 nan 0.000 0.487 163 P HA 0.001 nan 4.420 nan 0.000 0.222 163 P C 0.257 177.620 177.300 0.106 0.000 1.153 163 P CA 0.812 63.967 63.100 0.092 0.000 0.798 163 P CB 0.645 32.374 31.700 0.049 0.000 0.796 164 T N -1.341 113.290 114.554 0.128 0.000 2.841 164 T HA 0.359 4.520 4.350 -0.314 0.000 0.296 164 T C -1.216 173.600 174.700 0.192 0.000 1.166 164 T CA -0.652 61.523 62.100 0.125 0.000 1.007 164 T CB 1.471 70.385 68.868 0.078 0.000 1.253 164 T HN -0.377 nan 8.240 nan 0.000 0.511 165 V N 4.501 124.507 119.914 0.153 0.000 2.446 165 V HA 0.446 4.378 4.120 -0.314 0.000 0.276 165 V C 0.437 176.660 176.094 0.215 0.000 1.030 165 V CA 0.217 62.641 62.300 0.206 0.000 1.033 165 V CB -0.541 31.324 31.823 0.071 0.000 0.993 165 V HN 0.807 nan 8.190 nan 0.000 0.477 166 R N 3.842 124.523 120.500 0.301 0.000 2.739 166 R HA 0.694 4.845 4.340 -0.314 0.000 0.271 166 R C -0.770 175.714 176.300 0.308 0.000 1.010 166 R CA -1.127 55.122 56.100 0.248 0.000 0.897 166 R CB 2.015 32.423 30.300 0.179 0.000 1.236 166 R HN 0.420 nan 8.270 nan 0.000 0.466 167 R N 0.208 120.840 120.500 0.220 0.000 2.531 167 R HA 0.109 4.260 4.340 -0.314 0.000 0.273 167 R C 1.035 177.485 176.300 0.251 0.000 1.070 167 R CA 0.437 56.651 56.100 0.189 0.000 1.112 167 R CB 1.219 31.584 30.300 0.109 0.000 1.049 167 R HN 0.944 nan 8.270 nan 0.000 0.508 168 S N 1.035 116.881 115.700 0.243 0.000 2.436 168 S HA 0.024 4.306 4.470 -0.314 0.000 0.228 168 S C 1.259 175.949 174.600 0.150 0.000 1.014 168 S CA 0.672 59.064 58.200 0.320 0.000 0.950 168 S CB 0.232 63.581 63.200 0.248 0.000 0.784 168 S HN 0.971 nan 8.310 nan 0.000 0.504 169 G N 0.937 109.788 108.800 0.085 0.000 2.131 169 G HA2 -0.010 3.761 3.960 -0.314 0.000 0.223 169 G HA3 -0.010 3.761 3.960 -0.314 0.000 0.223 169 G C 0.256 175.164 174.900 0.013 0.000 0.990 169 G CA 0.020 45.144 45.100 0.040 0.000 0.671 169 G HN 1.248 nan 8.290 nan 0.000 0.521 170 A N 0.234 123.058 122.820 0.008 0.000 2.507 170 A HA 0.632 4.763 4.320 -0.314 0.000 0.235 170 A C 1.664 179.223 177.584 -0.042 0.000 1.070 170 A CA 1.292 53.317 52.037 -0.020 0.000 0.768 170 A CB 0.310 19.292 19.000 -0.030 0.000 1.011 170 A HN 1.719 nan 8.150 nan 0.000 0.502 171 S N -0.480 115.186 115.700 -0.057 0.000 2.535 171 S HA 0.359 4.640 4.470 -0.314 0.000 0.214 171 S C 0.462 175.008 174.600 -0.090 0.000 0.980 171 S CA 0.470 58.629 58.200 -0.069 0.000 0.907 171 S CB -0.589 62.572 63.200 -0.064 0.000 0.790 171 S HN 1.917 nan 8.310 nan 0.000 0.510 172 S N 0.225 115.869 115.700 -0.094 0.000 2.611 172 S HA 0.715 4.996 4.470 -0.314 0.000 0.268 172 S C -1.474 173.080 174.600 -0.076 0.000 1.156 172 S CA -0.826 57.314 58.200 -0.100 0.000 0.817 172 S CB 1.482 64.621 63.200 -0.101 0.000 1.122 172 S HN 0.199 nan 8.310 nan 0.000 0.466 173 N N 0.384 119.049 118.700 -0.058 0.000 2.732 173 N HA 0.460 5.011 4.740 -0.314 0.000 0.259 173 N C -1.890 173.623 175.510 0.005 0.000 1.402 173 N CA -0.576 52.452 53.050 -0.037 0.000 0.829 173 N CB 1.965 40.387 38.487 -0.108 0.000 1.495 173 N HN 0.922 nan 8.380 nan 0.000 0.511 174 N N -0.454 118.221 118.700 -0.041 0.000 2.489 174 N HA 0.165 4.716 4.740 -0.314 0.000 0.284 174 N C 1.338 176.666 175.510 -0.303 0.000 1.158 174 N CA -0.398 52.526 53.050 -0.210 0.000 0.965 174 N CB 1.587 39.913 38.487 -0.268 0.000 1.195 174 N HN 0.350 nan 8.380 nan 0.000 0.506 175 V N -1.638 118.037 119.914 -0.399 0.000 2.490 175 V HA -0.167 3.764 4.120 -0.314 0.000 0.250 175 V C 2.397 178.297 176.094 -0.324 0.000 1.061 175 V CA 1.843 63.882 62.300 -0.435 0.000 1.064 175 V CB -1.399 30.037 31.823 -0.645 0.000 0.670 175 V HN 0.785 nan 8.190 nan 0.000 0.461 176 A N 0.761 123.375 122.820 -0.344 0.000 1.877 176 A HA -0.200 3.931 4.320 -0.314 0.000 0.216 176 A C 2.188 179.522 177.584 -0.416 0.000 1.186 176 A CA 1.959 53.786 52.037 -0.349 0.000 0.620 176 A CB -0.650 18.078 19.000 -0.453 0.000 0.822 176 A HN 0.686 nan 8.150 nan 0.000 0.443 177 E N -0.547 119.360 120.200 -0.489 0.000 2.208 177 E HA -0.070 4.091 4.350 -0.314 0.000 0.193 177 E C 1.816 178.364 176.600 -0.086 0.000 0.988 177 E CA 0.916 57.087 56.400 -0.382 0.000 0.828 177 E CB -0.204 29.311 29.700 -0.308 0.000 0.763 177 E HN 0.714 nan 8.360 nan 0.000 0.478 178 I N 0.426 120.931 120.570 -0.108 0.000 2.333 178 I HA -0.064 3.918 4.170 -0.314 0.000 0.246 178 I C 2.214 178.384 176.117 0.088 0.000 1.106 178 I CA 0.908 62.186 61.300 -0.037 0.000 1.411 178 I CB -0.060 37.883 38.000 -0.095 0.000 1.082 178 I HN 0.055 nan 8.210 nan 0.000 0.420 179 G N -0.568 108.302 108.800 0.117 0.000 3.181 179 G HA2 0.015 3.787 3.960 -0.314 0.000 0.219 179 G HA3 0.015 3.787 3.960 -0.314 0.000 0.219 179 G C 0.804 175.887 174.900 0.305 0.000 1.182 179 G CA 0.012 45.302 45.100 0.317 0.000 0.791 179 G HN 0.240 nan 8.290 nan 0.000 0.537 180 S N -0.011 115.839 115.700 0.251 0.000 2.624 180 S HA 0.331 4.612 4.470 -0.314 0.000 0.246 180 S C 1.196 176.145 174.600 0.581 0.000 1.072 180 S CA -0.388 57.980 58.200 0.280 0.000 1.045 180 S CB 0.181 63.495 63.200 0.190 0.000 0.851 180 S HN 0.292 nan 8.310 nan 0.000 0.480 181 L N -0.749 120.760 121.223 0.477 0.000 2.685 181 L HA 0.291 4.442 4.340 -0.314 0.000 0.235 181 L C 2.126 179.221 176.870 0.375 0.000 1.070 181 L CA 0.165 55.236 54.840 0.385 0.000 0.888 181 L CB -0.385 41.738 42.059 0.106 0.000 1.203 181 L HN 0.277 nan 8.230 nan 0.000 0.499 182 V N 0.867 120.979 119.914 0.331 0.000 2.332 182 V HA -0.292 3.640 4.120 -0.314 0.000 0.248 182 V C 2.290 178.407 176.094 0.040 0.000 1.055 182 V CA 1.950 64.385 62.300 0.224 0.000 1.038 182 V CB 0.036 32.024 31.823 0.274 0.000 0.651 182 V HN 0.371 nan 8.190 nan 0.000 0.450 183 L N 0.403 121.554 121.223 -0.121 0.000 1.976 183 L HA -0.144 4.007 4.340 -0.314 0.000 0.209 183 L C 2.887 179.669 176.870 -0.148 0.000 1.071 183 L CA 2.494 57.126 54.840 -0.348 0.000 0.746 183 L CB -0.581 41.072 42.059 -0.677 0.000 0.890 183 L HN 0.551 nan 8.230 nan 0.000 0.432 184 E N -1.094 119.173 120.200 0.112 0.000 2.208 184 E HA -0.237 3.925 4.350 -0.314 0.000 0.193 184 E C 1.916 178.462 176.600 -0.089 0.000 0.988 184 E CA 1.040 57.443 56.400 0.004 0.000 0.828 184 E CB -0.687 29.118 29.700 0.175 0.000 0.763 184 E HN 0.554 nan 8.360 nan 0.000 0.478 185 W N 2.087 123.344 121.300 -0.070 0.000 2.476 185 W HA 0.046 4.512 4.660 -0.323 0.000 0.281 185 W C 2.345 178.839 176.519 -0.042 0.000 1.230 185 W CA 1.533 58.858 57.345 -0.033 0.000 1.287 185 W CB -0.518 28.988 29.460 0.076 0.000 1.108 185 W HN 0.010 nan 8.180 nan 0.000 0.567 186 T N -0.256 114.357 114.554 0.098 0.000 2.857 186 T HA -0.157 4.004 4.350 -0.314 0.000 0.266 186 T C 1.839 176.495 174.700 -0.074 0.000 1.048 186 T CA 1.369 63.489 62.100 0.034 0.000 1.139 186 T CB -0.128 68.716 68.868 -0.040 0.000 0.874 186 T HN -0.136 nan 8.240 nan 0.000 0.455 187 R N 1.140 121.474 120.500 -0.276 0.000 2.081 187 R HA 0.028 4.179 4.340 -0.314 0.000 0.235 187 R C 2.133 178.300 176.300 -0.222 0.000 1.131 187 R CA 1.117 57.042 56.100 -0.291 0.000 0.960 187 R CB -1.103 28.852 30.300 -0.576 0.000 0.856 187 R HN 0.309 nan 8.270 nan 0.000 0.436 188 L N 0.057 121.104 121.223 -0.293 0.000 2.017 188 L HA -0.079 4.073 4.340 -0.314 0.000 0.208 188 L C 1.972 178.762 176.870 -0.133 0.000 1.073 188 L CA 1.995 56.627 54.840 -0.346 0.000 0.745 188 L CB -0.841 40.839 42.059 -0.632 0.000 0.894 188 L HN 0.161 nan 8.230 nan 0.000 0.432 189 S N -0.323 115.404 115.700 0.044 0.000 2.370 189 S HA -0.191 4.091 4.470 -0.314 0.000 0.226 189 S C 1.575 176.219 174.600 0.074 0.000 1.033 189 S CA 1.437 59.731 58.200 0.157 0.000 1.011 189 S CB -0.484 62.816 63.200 0.166 0.000 0.852 189 S HN 0.537 nan 8.310 nan 0.000 0.457 190 D N 0.839 121.276 120.400 0.062 0.000 2.144 190 D HA -0.008 4.443 4.640 -0.314 0.000 0.200 190 D C 1.700 178.017 176.300 0.028 0.000 0.978 190 D CA 0.549 54.589 54.000 0.066 0.000 0.833 190 D CB -0.227 40.652 40.800 0.131 0.000 0.961 190 D HN 0.173 nan 8.370 nan 0.000 0.470 191 L N 0.362 121.577 121.223 -0.013 0.000 2.179 191 L HA -0.019 4.132 4.340 -0.314 0.000 0.208 191 L C 2.392 179.232 176.870 -0.050 0.000 1.096 191 L CA 1.423 56.244 54.840 -0.032 0.000 0.779 191 L CB -0.935 41.059 42.059 -0.109 0.000 0.922 191 L HN 0.150 nan 8.230 nan 0.000 0.443 192 T N -5.345 109.178 114.554 -0.052 0.000 3.040 192 T HA 0.277 4.439 4.350 -0.314 0.000 0.252 192 T C 1.541 176.247 174.700 0.010 0.000 1.064 192 T CA 0.597 62.679 62.100 -0.030 0.000 1.110 192 T CB 0.265 69.133 68.868 0.000 0.000 0.921 192 T HN 0.347 nan 8.240 nan 0.000 0.480 193 G N 1.658 110.473 108.800 0.025 0.000 2.176 193 G HA2 -0.243 3.528 3.960 -0.314 0.000 0.253 193 G HA3 -0.243 3.528 3.960 -0.314 0.000 0.253 193 G C -0.023 174.887 174.900 0.015 0.000 0.979 193 G CA 0.009 45.120 45.100 0.018 0.000 0.641 193 G HN 0.789 nan 8.290 nan 0.000 0.530 194 N N 1.034 119.757 118.700 0.038 0.000 2.462 194 N HA 0.510 5.061 4.740 -0.314 0.000 0.242 194 N C -1.070 174.406 175.510 -0.057 0.000 1.010 194 N CA -2.315 50.718 53.050 -0.028 0.000 0.939 194 N CB 1.652 40.118 38.487 -0.036 0.000 1.127 194 N HN 0.014 nan 8.380 nan 0.000 0.509 195 P HA -0.133 nan 4.420 nan 0.000 0.222 195 P C 1.232 178.477 177.300 -0.092 0.000 1.147 195 P CA 0.813 63.889 63.100 -0.041 0.000 0.790 195 P CB 0.351 32.033 31.700 -0.030 0.000 0.780 196 Q N -0.809 118.851 119.800 -0.233 0.000 2.096 196 Q HA -0.255 3.896 4.340 -0.314 0.000 0.208 196 Q C 1.637 177.511 176.000 -0.209 0.000 0.993 196 Q CA 1.872 57.508 55.803 -0.279 0.000 0.862 196 Q CB -0.568 27.919 28.738 -0.419 0.000 0.915 196 Q HN 0.212 nan 8.270 nan 0.000 0.416 197 Y N -0.035 120.313 120.300 0.080 0.000 2.081 197 Y HA -0.262 4.100 4.550 -0.314 0.000 0.280 197 Y C 2.514 178.564 175.900 0.249 0.000 1.163 197 Y CA 1.257 59.500 58.100 0.238 0.000 1.135 197 Y CB -1.188 37.296 38.460 0.040 0.000 0.970 197 Y HN 0.274 nan 8.280 nan 0.000 0.498 198 A N -0.077 122.908 122.820 0.274 0.000 1.902 198 A HA -0.273 3.858 4.320 -0.314 0.000 0.217 198 A C 2.159 179.813 177.584 0.116 0.000 1.181 198 A CA 1.893 54.055 52.037 0.209 0.000 0.623 198 A CB -0.862 18.247 19.000 0.181 0.000 0.818 198 A HN 0.587 nan 8.150 nan 0.000 0.443 199 Q N -1.037 118.791 119.800 0.047 0.000 2.096 199 Q HA -0.181 3.970 4.340 -0.314 0.000 0.204 199 Q C 1.993 177.954 176.000 -0.065 0.000 0.982 199 Q CA 1.420 57.224 55.803 0.002 0.000 0.850 199 Q CB -0.312 28.410 28.738 -0.026 0.000 0.901 199 Q HN 0.494 nan 8.270 nan 0.000 0.422 200 L N 0.206 121.308 121.223 -0.202 0.000 1.994 200 L HA -0.151 4.000 4.340 -0.314 0.000 0.208 200 L C 2.304 178.792 176.870 -0.636 0.000 1.071 200 L CA 2.097 56.601 54.840 -0.561 0.000 0.745 200 L CB -1.396 40.047 42.059 -1.026 0.000 0.892 200 L HN 0.181 nan 8.230 nan 0.000 0.431 201 A N -1.335 121.194 122.820 -0.486 0.000 1.902 201 A HA -0.246 3.885 4.320 -0.314 0.000 0.217 201 A C 2.181 179.839 177.584 0.123 0.000 1.181 201 A CA 1.584 53.541 52.037 -0.134 0.000 0.623 201 A CB -0.506 18.501 19.000 0.012 0.000 0.818 201 A HN 0.563 nan 8.150 nan 0.000 0.443 202 Q N -0.789 119.101 119.800 0.150 0.000 2.167 202 Q HA -0.161 3.990 4.340 -0.314 0.000 0.202 202 Q C 2.120 178.245 176.000 0.209 0.000 0.970 202 Q CA 1.573 57.531 55.803 0.259 0.000 0.855 202 Q CB -0.139 28.761 28.738 0.270 0.000 0.911 202 Q HN 0.744 nan 8.270 nan 0.000 0.438 203 K N 0.338 120.821 120.400 0.138 0.000 2.025 203 K HA -0.105 4.027 4.320 -0.314 0.000 0.207 203 K C 2.063 178.818 176.600 0.257 0.000 1.049 203 K CA 1.326 57.698 56.287 0.143 0.000 0.933 203 K CB -0.294 32.279 32.500 0.123 0.000 0.714 203 K HN 0.228 nan 8.250 nan 0.000 0.438 204 G N 0.691 109.674 108.800 0.306 0.000 2.432 204 G HA2 -0.294 3.477 3.960 -0.314 0.000 0.219 204 G HA3 -0.294 3.477 3.960 -0.314 0.000 0.219 204 G C 1.363 176.461 174.900 0.331 0.000 1.135 204 G CA 1.062 46.382 45.100 0.367 0.000 0.767 204 G HN 0.465 nan 8.290 nan 0.000 0.550 205 E N 1.337 121.706 120.200 0.280 0.000 2.152 205 E HA -0.123 4.038 4.350 -0.314 0.000 0.192 205 E C 2.682 179.405 176.600 0.205 0.000 0.983 205 E CA 1.398 57.953 56.400 0.258 0.000 0.818 205 E CB -0.270 29.617 29.700 0.311 0.000 0.758 205 E HN 0.436 nan 8.360 nan 0.000 0.467 206 S N -0.575 115.221 115.700 0.160 0.000 2.387 206 S HA -0.263 4.018 4.470 -0.314 0.000 0.230 206 S C 1.841 176.442 174.600 0.001 0.000 1.035 206 S CA 1.362 59.586 58.200 0.040 0.000 1.014 206 S CB -0.914 62.231 63.200 -0.092 0.000 0.836 206 S HN 0.447 nan 8.310 nan 0.000 0.466 207 Y N 1.138 121.505 120.300 0.112 0.000 2.403 207 Y HA 0.130 4.490 4.550 -0.317 0.000 0.291 207 Y C 1.977 177.999 175.900 0.203 0.000 1.143 207 Y CA 0.544 58.715 58.100 0.118 0.000 1.257 207 Y CB -0.341 38.142 38.460 0.039 0.000 0.984 207 Y HN 0.252 nan 8.280 nan 0.000 0.550 208 L N -1.204 120.194 121.223 0.292 0.000 2.375 208 L HA -0.029 4.123 4.340 -0.314 0.000 0.215 208 L C 1.812 178.811 176.870 0.214 0.000 1.108 208 L CA 1.031 56.028 54.840 0.260 0.000 0.830 208 L CB -0.554 41.517 42.059 0.019 0.000 0.959 208 L HN 0.222 nan 8.230 nan 0.000 0.457 209 L N -1.086 120.243 121.223 0.176 0.000 2.270 209 L HA 0.038 4.189 4.340 -0.314 0.000 0.210 209 L C 0.723 177.673 176.870 0.133 0.000 1.104 209 L CA 0.510 55.427 54.840 0.127 0.000 0.804 209 L CB -0.100 42.016 42.059 0.095 0.000 0.937 209 L HN 0.263 nan 8.230 nan 0.000 0.450 210 N N 0.647 119.429 118.700 0.137 0.000 2.844 210 N HA 0.185 4.736 4.740 -0.314 0.000 0.268 210 N C -2.565 173.008 175.510 0.105 0.000 1.574 210 N CA -2.025 51.089 53.050 0.107 0.000 0.838 210 N CB 0.749 39.295 38.487 0.098 0.000 1.177 210 N HN -0.106 nan 8.380 nan 0.000 0.495 211 P HA 0.034 nan 4.420 nan 0.000 0.260 211 P C -0.823 176.479 177.300 0.003 0.000 1.185 211 P CA 0.469 63.524 63.100 -0.076 0.000 0.763 211 P CB 0.690 32.040 31.700 -0.583 0.000 0.776 212 K N 2.278 122.794 120.400 0.194 0.000 2.316 212 K HA 0.660 4.792 4.320 -0.314 0.000 0.251 212 K C 0.607 177.332 176.600 0.208 0.000 0.934 212 K CA -0.498 55.883 56.287 0.155 0.000 0.802 212 K CB 2.213 34.811 32.500 0.163 0.000 1.171 212 K HN 0.717 nan 8.250 nan 0.000 0.426 213 G N 1.055 109.926 108.800 0.118 0.000 2.713 213 G HA2 -0.207 3.565 3.960 -0.314 0.000 0.215 213 G HA3 -0.207 3.565 3.960 -0.314 0.000 0.215 213 G C -0.752 174.190 174.900 0.070 0.000 1.265 213 G CA -0.779 44.392 45.100 0.118 0.000 1.204 213 G HN 0.479 nan 8.290 nan 0.000 0.545 214 S N 4.182 119.937 115.700 0.092 0.000 2.549 214 S HA 0.475 4.756 4.470 -0.314 0.000 0.286 214 S C -1.686 172.890 174.600 -0.040 0.000 1.314 214 S CA 0.097 58.317 58.200 0.034 0.000 1.062 214 S CB 1.091 64.332 63.200 0.068 0.000 0.865 214 S HN 0.683 nan 8.310 nan 0.000 0.498 215 P HA 0.126 nan 4.420 nan 0.000 0.272 215 P C -0.644 176.580 177.300 -0.126 0.000 1.223 215 P CA -0.337 62.708 63.100 -0.091 0.000 0.784 215 P CB 0.489 32.137 31.700 -0.085 0.000 0.923 216 E N 0.781 120.893 120.200 -0.146 0.000 2.360 216 E HA 0.180 4.342 4.350 -0.314 0.000 0.269 216 E C 1.339 177.826 176.600 -0.190 0.000 1.022 216 E CA -0.351 55.960 56.400 -0.147 0.000 0.887 216 E CB 0.546 30.175 29.700 -0.119 0.000 0.990 216 E HN 0.424 nan 8.360 nan 0.000 0.426 217 A N 5.039 127.746 122.820 -0.189 0.000 1.908 217 A HA -0.130 4.001 4.320 -0.314 0.000 0.218 217 A C 0.173 177.323 177.584 -0.723 0.000 1.181 217 A CA 1.163 52.937 52.037 -0.438 0.000 0.627 217 A CB 0.042 18.850 19.000 -0.320 0.000 0.818 217 A HN 0.645 nan 8.150 nan 0.000 0.445 218 W N -2.747 118.413 121.300 -0.233 0.000 3.137 218 W HA 0.380 4.849 4.660 -0.318 0.000 0.324 218 W C -3.053 173.377 176.519 -0.148 0.000 1.253 218 W CA -2.744 54.467 57.345 -0.223 0.000 1.183 218 W CB 0.490 29.769 29.460 -0.301 0.000 1.424 218 W HN -0.163 nan 8.180 nan 0.000 0.566 219 P HA 0.100 nan 4.420 nan 0.000 0.258 219 P C 0.763 178.089 177.300 0.045 0.000 1.172 219 P CA 2.560 65.699 63.100 0.065 0.000 0.762 219 P CB 0.092 31.834 31.700 0.070 0.000 0.764 220 G N 2.929 111.747 108.800 0.030 0.000 2.284 220 G HA2 -0.257 3.514 3.960 -0.314 0.000 0.247 220 G HA3 -0.257 3.514 3.960 -0.314 0.000 0.247 220 G C 0.044 175.012 174.900 0.114 0.000 1.012 220 G CA -0.354 44.775 45.100 0.047 0.000 0.618 220 G HN 0.491 nan 8.290 nan 0.000 0.521 221 L N 2.947 124.215 121.223 0.074 0.000 2.358 221 L HA 0.486 4.637 4.340 -0.314 0.000 0.274 221 L C 1.413 178.374 176.870 0.151 0.000 1.136 221 L CA -0.778 54.137 54.840 0.125 0.000 0.970 221 L CB 0.090 42.053 42.059 -0.161 0.000 1.314 221 L HN 0.457 nan 8.230 nan 0.000 0.427 222 I N -1.096 119.585 120.570 0.185 0.000 3.322 222 I HA 0.604 4.585 4.170 -0.314 0.000 0.296 222 I C 1.026 177.179 176.117 0.061 0.000 1.101 222 I CA -0.494 60.767 61.300 -0.065 0.000 1.166 222 I CB 0.490 38.332 38.000 -0.264 0.000 1.475 222 I HN 0.359 nan 8.210 nan 0.000 0.665 223 G N 0.751 109.536 108.800 -0.025 0.000 2.621 223 G HA2 0.375 4.147 3.960 -0.314 0.000 0.271 223 G HA3 0.375 4.147 3.960 -0.314 0.000 0.271 223 G C 0.389 175.340 174.900 0.086 0.000 1.236 223 G CA -0.113 45.087 45.100 0.167 0.000 0.958 223 G HN 0.775 nan 8.290 nan 0.000 0.512 224 T N -0.610 113.848 114.554 -0.159 0.000 3.021 224 T HA 0.192 4.353 4.350 -0.314 0.000 0.245 224 T C 0.078 174.336 174.700 -0.738 0.000 1.028 224 T CA 0.641 62.399 62.100 -0.571 0.000 1.139 224 T CB -0.060 68.237 68.868 -0.952 0.000 0.884 224 T HN 0.255 nan 8.240 nan 0.000 0.457 225 F N 1.434 121.312 119.950 -0.119 0.000 2.436 225 F HA 0.628 4.970 4.527 -0.308 0.000 0.340 225 F C -0.382 175.216 175.800 -0.337 0.000 1.113 225 F CA -1.215 56.663 58.000 -0.203 0.000 1.022 225 F CB 1.384 40.301 39.000 -0.139 0.000 1.128 225 F HN -0.262 nan 8.300 nan 0.000 0.466 226 V N 1.896 121.658 119.914 -0.253 0.000 2.540 226 V HA 0.328 4.259 4.120 -0.314 0.000 0.302 226 V C -0.089 175.844 176.094 -0.268 0.000 1.035 226 V CA -0.968 61.059 62.300 -0.454 0.000 0.873 226 V CB 1.858 33.281 31.823 -0.668 0.000 0.992 226 V HN 0.822 nan 8.190 nan 0.000 0.428 227 S N 2.642 118.197 115.700 -0.242 0.000 2.533 227 S HA 0.053 4.335 4.470 -0.314 0.000 0.282 227 S C 1.474 175.941 174.600 -0.221 0.000 1.304 227 S CA 0.300 58.392 58.200 -0.181 0.000 1.063 227 S CB 0.913 64.031 63.200 -0.137 0.000 0.881 227 S HN 1.076 nan 8.310 nan 0.000 0.493 228 T N 1.537 115.988 114.554 -0.172 0.000 3.043 228 T HA -0.049 4.112 4.350 -0.314 0.000 0.263 228 T C 1.892 176.499 174.700 -0.154 0.000 1.094 228 T CA 0.942 62.939 62.100 -0.172 0.000 1.127 228 T CB -0.496 68.299 68.868 -0.122 0.000 0.905 228 T HN 0.679 nan 8.240 nan 0.000 0.490 229 S N 2.929 118.555 115.700 -0.123 0.000 2.395 229 S HA -0.043 4.238 4.470 -0.314 0.000 0.225 229 S C 1.573 176.115 174.600 -0.097 0.000 1.027 229 S CA 0.837 58.985 58.200 -0.087 0.000 0.965 229 S CB -0.495 62.670 63.200 -0.058 0.000 0.812 229 S HN 0.758 nan 8.310 nan 0.000 0.482 230 N N -0.533 118.088 118.700 -0.131 0.000 2.143 230 N HA 0.303 4.854 4.740 -0.314 0.000 0.229 230 N C 0.897 176.286 175.510 -0.201 0.000 1.294 230 N CA 0.186 53.172 53.050 -0.107 0.000 0.883 230 N CB -0.094 38.375 38.487 -0.029 0.000 1.148 230 N HN 0.480 nan 8.380 nan 0.000 0.511 231 G N 0.490 109.046 108.800 -0.407 0.000 2.258 231 G HA2 -0.306 3.466 3.960 -0.314 0.000 0.274 231 G HA3 -0.306 3.466 3.960 -0.314 0.000 0.274 231 G C 0.105 174.890 174.900 -0.191 0.000 1.021 231 G CA 0.968 45.707 45.100 -0.603 0.000 0.798 231 G HN 0.884 nan 8.290 nan 0.000 0.507 232 T N -2.236 112.253 114.554 -0.107 0.000 2.929 232 T HA 0.726 4.887 4.350 -0.314 0.000 0.284 232 T C 0.144 174.832 174.700 -0.020 0.000 1.014 232 T CA -0.982 61.145 62.100 0.045 0.000 1.051 232 T CB 1.682 70.595 68.868 0.075 0.000 1.028 232 T HN 0.217 nan 8.240 nan 0.000 0.485 233 F N 1.661 121.611 119.950 0.001 0.000 2.382 233 F HA 0.337 4.672 4.527 -0.320 0.000 0.331 233 F C 1.706 177.510 175.800 0.007 0.000 1.121 233 F CA -0.586 57.411 58.000 -0.005 0.000 1.183 233 F CB 1.268 40.260 39.000 -0.014 0.000 1.207 233 F HN 0.770 nan 8.300 nan 0.000 0.555 234 Q N -0.446 119.465 119.800 0.184 0.000 2.164 234 Q HA 0.273 4.424 4.340 -0.314 0.000 0.226 234 Q C -1.293 174.784 176.000 0.128 0.000 0.813 234 Q CA -0.385 55.490 55.803 0.119 0.000 0.978 234 Q CB 0.424 29.201 28.738 0.065 0.000 1.149 234 Q HN 0.733 nan 8.270 nan 0.000 0.489 235 D N -1.326 119.177 120.400 0.172 0.000 2.615 235 D HA 0.341 4.792 4.640 -0.314 0.000 0.267 235 D C -0.727 175.640 176.300 0.112 0.000 1.236 235 D CA -0.869 53.209 54.000 0.131 0.000 0.839 235 D CB 1.190 42.085 40.800 0.158 0.000 1.380 235 D HN -0.121 nan 8.370 nan 0.000 0.433 236 S N -0.518 115.225 115.700 0.071 0.000 2.711 236 S HA 0.402 4.683 4.470 -0.314 0.000 0.247 236 S C -0.374 174.302 174.600 0.126 0.000 1.079 236 S CA -0.535 57.709 58.200 0.072 0.000 1.050 236 S CB -0.351 62.858 63.200 0.014 0.000 0.885 236 S HN 0.603 nan 8.310 nan 0.000 0.498 237 S N 0.427 116.146 115.700 0.032 0.000 2.638 237 S HA 0.987 5.268 4.470 -0.314 0.000 0.298 237 S C 0.137 174.493 174.600 -0.408 0.000 1.111 237 S CA -0.471 57.641 58.200 -0.145 0.000 1.027 237 S CB 2.072 65.206 63.200 -0.110 0.000 1.064 237 S HN 0.496 nan 8.310 nan 0.000 0.525 238 G N -0.003 108.213 108.800 -0.973 0.000 2.340 238 G HA2 0.650 4.422 3.960 -0.314 0.000 0.299 238 G HA3 0.650 4.422 3.960 -0.314 0.000 0.299 238 G C -0.833 173.583 174.900 -0.807 0.000 1.291 238 G CA -0.068 44.535 45.100 -0.827 0.000 0.841 238 G HN 2.032 nan 8.290 nan 0.000 0.500 239 S N -2.820 112.772 115.700 -0.181 0.000 2.654 239 S HA 0.395 4.677 4.470 -0.314 0.000 0.267 239 S C -1.672 173.119 174.600 0.317 0.000 1.151 239 S CA -0.409 57.904 58.200 0.189 0.000 0.873 239 S CB 0.491 63.754 63.200 0.106 0.000 1.181 239 S HN 1.064 nan 8.310 nan 0.000 0.489 240 W N 2.447 123.938 121.300 0.318 0.000 3.015 240 W HA 0.553 5.013 4.660 -0.334 0.000 0.429 240 W C 1.268 177.995 176.519 0.347 0.000 0.976 240 W CA 0.385 57.975 57.345 0.407 0.000 2.086 240 W CB 0.303 29.986 29.460 0.372 0.000 1.125 240 W HN 0.937 nan 8.180 nan 0.000 0.721 241 S N -1.237 114.651 115.700 0.314 0.000 3.206 241 S HA 0.761 5.042 4.470 -0.314 0.000 0.261 241 S C 0.858 175.491 174.600 0.056 0.000 1.020 241 S CA -0.431 57.888 58.200 0.199 0.000 1.078 241 S CB -0.172 63.126 63.200 0.163 0.000 1.301 241 S HN -0.003 nan 8.310 nan 0.000 0.677 242 G N 0.211 109.027 108.800 0.026 0.000 2.257 242 G HA2 0.361 4.132 3.960 -0.314 0.000 0.235 242 G HA3 0.361 4.132 3.960 -0.314 0.000 0.235 242 G C 0.439 175.278 174.900 -0.102 0.000 1.225 242 G CA 0.364 45.445 45.100 -0.031 0.000 0.878 242 G HN 1.408 nan 8.290 nan 0.000 0.505 243 L N -0.210 120.909 121.223 -0.174 0.000 5.060 243 L HA -0.266 3.885 4.340 -0.314 0.000 0.408 243 L C 1.610 178.288 176.870 -0.321 0.000 0.917 243 L CA 1.647 56.330 54.840 -0.261 0.000 1.627 243 L CB -1.422 40.482 42.059 -0.258 0.000 1.732 243 L HN 0.708 nan 8.230 nan 0.000 0.611 244 M N -1.067 118.377 119.600 -0.259 0.000 1.923 244 M HA 0.021 4.312 4.480 -0.314 0.000 0.249 244 M C 1.318 177.468 176.300 -0.250 0.000 1.178 244 M CA 1.039 56.166 55.300 -0.289 0.000 1.033 244 M CB 0.231 32.669 32.600 -0.270 0.000 1.801 244 M HN 0.214 nan 8.290 nan 0.000 0.629 245 D N 1.475 121.798 120.400 -0.130 0.000 2.355 245 D HA -0.282 4.169 4.640 -0.314 0.000 0.192 245 D C 1.510 177.706 176.300 -0.173 0.000 1.014 245 D CA 2.863 56.837 54.000 -0.044 0.000 0.862 245 D CB -1.421 39.327 40.800 -0.087 0.000 0.986 245 D HN 0.517 nan 8.370 nan 0.000 0.456 246 S N -0.981 114.536 115.700 -0.304 0.000 2.500 246 S HA -0.146 4.135 4.470 -0.314 0.000 0.239 246 S C 1.887 176.321 174.600 -0.276 0.000 0.989 246 S CA 0.702 58.695 58.200 -0.345 0.000 0.951 246 S CB -1.107 61.883 63.200 -0.350 0.000 0.759 246 S HN 0.461 nan 8.310 nan 0.000 0.523 247 F N 1.679 121.429 119.950 -0.333 0.000 2.084 247 F HA -0.036 4.293 4.527 -0.329 0.000 0.296 247 F C 2.106 177.821 175.800 -0.142 0.000 1.111 247 F CA 1.137 58.966 58.000 -0.284 0.000 1.224 247 F CB -0.454 38.276 39.000 -0.451 0.000 0.991 247 F HN 0.128 nan 8.300 nan 0.000 0.471 248 Y N 0.551 120.585 120.300 -0.442 0.000 2.224 248 Y HA -0.235 4.122 4.550 -0.321 0.000 0.289 248 Y C 2.678 178.582 175.900 0.006 0.000 1.146 248 Y CA 1.336 59.175 58.100 -0.435 0.000 1.182 248 Y CB -0.566 37.478 38.460 -0.692 0.000 0.983 248 Y HN 0.243 nan 8.280 nan 0.000 0.524 249 E N 0.118 120.481 120.200 0.273 0.000 2.038 249 E HA -0.262 3.899 4.350 -0.314 0.000 0.195 249 E C 1.739 178.550 176.600 0.352 0.000 1.000 249 E CA 1.500 58.145 56.400 0.408 0.000 0.803 249 E CB -0.477 29.434 29.700 0.352 0.000 0.750 249 E HN 0.639 nan 8.360 nan 0.000 0.448 250 Y N -0.375 119.967 120.300 0.069 0.000 2.497 250 Y HA -0.162 4.251 4.550 -0.228 0.000 0.292 250 Y C 2.215 178.153 175.900 0.063 0.000 1.137 250 Y CA -0.472 57.666 58.100 0.062 0.000 1.285 250 Y CB 0.268 38.778 38.460 0.083 0.000 0.991 250 Y HN 0.188 nan 8.280 nan 0.000 0.556 251 L N -0.345 120.977 121.223 0.164 0.000 1.994 251 L HA -0.257 3.894 4.340 -0.314 0.000 0.208 251 L C 2.200 179.166 176.870 0.160 0.000 1.071 251 L CA 1.575 56.521 54.840 0.177 0.000 0.745 251 L CB -0.882 41.225 42.059 0.081 0.000 0.892 251 L HN 0.195 nan 8.230 nan 0.000 0.431 252 I N -1.080 119.444 120.570 -0.076 0.000 2.617 252 I HA -0.185 3.796 4.170 -0.314 0.000 0.256 252 I C 2.269 178.342 176.117 -0.073 0.000 1.167 252 I CA 1.285 62.377 61.300 -0.347 0.000 1.469 252 I CB -0.360 36.925 38.000 -1.193 0.000 1.098 252 I HN 0.172 nan 8.210 nan 0.000 0.436 253 K N -0.581 119.827 120.400 0.014 0.000 2.211 253 K HA -0.085 4.046 4.320 -0.314 0.000 0.203 253 K C 1.895 178.493 176.600 -0.003 0.000 1.050 253 K CA 1.056 57.370 56.287 0.045 0.000 0.945 253 K CB -0.135 32.423 32.500 0.098 0.000 0.732 253 K HN 0.258 nan 8.250 nan 0.000 0.451 254 M N -0.435 119.135 119.600 -0.049 0.000 2.254 254 M HA -0.129 4.162 4.480 -0.314 0.000 0.265 254 M C 1.931 178.204 176.300 -0.045 0.000 1.066 254 M CA 1.328 56.459 55.300 -0.282 0.000 1.123 254 M CB -0.736 31.532 32.600 -0.552 0.000 1.388 254 M HN 0.119 nan 8.290 nan 0.000 0.425 255 Y N 0.666 120.961 120.300 -0.007 0.000 2.293 255 Y HA -0.118 4.241 4.550 -0.318 0.000 0.291 255 Y C 2.120 178.047 175.900 0.045 0.000 1.137 255 Y CA 1.306 59.447 58.100 0.068 0.000 1.202 255 Y CB -0.180 38.298 38.460 0.030 0.000 0.990 255 Y HN 0.126 nan 8.280 nan 0.000 0.537 256 L N -1.157 120.074 121.223 0.013 0.000 2.095 256 L HA -0.201 3.950 4.340 -0.314 0.000 0.204 256 L C 2.175 179.010 176.870 -0.058 0.000 1.080 256 L CA 1.448 56.252 54.840 -0.060 0.000 0.759 256 L CB -0.549 41.530 42.059 0.033 0.000 0.914 256 L HN 0.325 nan 8.230 nan 0.000 0.439 257 Y N 0.367 120.601 120.300 -0.110 0.000 2.256 257 Y HA -0.217 4.147 4.550 -0.310 0.000 0.288 257 Y C 0.256 176.132 175.900 -0.041 0.000 1.155 257 Y CA 1.662 59.702 58.100 -0.101 0.000 1.203 257 Y CB 0.386 38.740 38.460 -0.177 0.000 0.980 257 Y HN 0.240 nan 8.280 nan 0.000 0.530 258 D N -2.138 118.278 120.400 0.026 0.000 2.296 258 D HA 0.142 4.593 4.640 -0.314 0.000 0.224 258 D C -2.462 173.866 176.300 0.047 0.000 1.324 258 D CA -1.440 52.577 54.000 0.028 0.000 0.940 258 D CB 1.096 42.019 40.800 0.206 0.000 1.492 258 D HN -0.119 nan 8.370 nan 0.000 0.531 259 P HA -0.122 nan 4.420 nan 0.000 0.218 259 P C 1.478 178.779 177.300 0.001 0.000 1.146 259 P CA 0.598 63.444 63.100 -0.422 0.000 0.813 259 P CB 0.596 31.943 31.700 -0.587 0.000 0.778 260 V N 0.139 120.043 119.914 -0.017 0.000 2.283 260 V HA -0.120 3.812 4.120 -0.314 0.000 0.239 260 V C 2.520 178.592 176.094 -0.036 0.000 1.035 260 V CA 2.050 64.352 62.300 0.004 0.000 1.018 260 V CB -1.732 30.071 31.823 -0.035 0.000 0.658 260 V HN 0.061 nan 8.190 nan 0.000 0.459 261 A N -0.370 122.355 122.820 -0.157 0.000 1.940 261 A HA -0.145 3.987 4.320 -0.314 0.000 0.219 261 A C 1.591 178.777 177.584 -0.663 0.000 1.176 261 A CA 1.845 53.598 52.037 -0.473 0.000 0.631 261 A CB -0.597 17.955 19.000 -0.748 0.000 0.814 261 A HN 0.575 nan 8.150 nan 0.000 0.446 262 F N -1.315 118.644 119.950 0.014 0.000 2.855 262 F HA 0.493 4.838 4.527 -0.304 0.000 0.317 262 F C 1.798 177.758 175.800 0.267 0.000 1.169 262 F CA -0.077 57.915 58.000 -0.015 0.000 1.299 262 F CB -0.112 38.697 39.000 -0.319 0.000 0.962 262 F HN 0.181 nan 8.300 nan 0.000 0.506 263 A N -0.383 122.669 122.820 0.385 0.000 1.972 263 A HA -0.234 3.898 4.320 -0.314 0.000 0.219 263 A C 2.201 179.987 177.584 0.338 0.000 1.169 263 A CA 1.714 53.991 52.037 0.401 0.000 0.635 263 A CB -0.943 18.234 19.000 0.296 0.000 0.810 263 A HN 0.613 nan 8.150 nan 0.000 0.446 264 H N -2.306 116.936 119.070 0.287 0.000 2.423 264 H HA -0.125 4.244 4.556 -0.312 0.000 0.297 264 H C 1.768 177.299 175.328 0.338 0.000 1.075 264 H CA 1.608 57.817 56.048 0.269 0.000 1.342 264 H CB -0.039 29.876 29.762 0.255 0.000 1.395 264 H HN 0.696 nan 8.280 nan 0.000 0.530 265 Y N 1.079 121.487 120.300 0.180 0.000 2.224 265 Y HA -0.213 4.145 4.550 -0.321 0.000 0.289 265 Y C 2.921 178.862 175.900 0.068 0.000 1.146 265 Y CA 1.176 59.356 58.100 0.133 0.000 1.182 265 Y CB 0.086 38.702 38.460 0.260 0.000 0.983 265 Y HN 0.132 nan 8.280 nan 0.000 0.524 266 K N 0.574 121.097 120.400 0.206 0.000 2.057 266 K HA -0.226 3.905 4.320 -0.314 0.000 0.207 266 K C 1.195 177.805 176.600 0.017 0.000 1.049 266 K CA 2.111 58.364 56.287 -0.057 0.000 0.931 266 K CB -0.216 31.947 32.500 -0.561 0.000 0.714 266 K HN 0.235 nan 8.250 nan 0.000 0.440 267 D N 0.480 120.888 120.400 0.013 0.000 2.117 267 D HA -0.118 4.333 4.640 -0.314 0.000 0.197 267 D C 2.069 178.365 176.300 -0.008 0.000 0.987 267 D CA 0.795 54.802 54.000 0.011 0.000 0.829 267 D CB -0.042 40.776 40.800 0.030 0.000 0.961 267 D HN 0.152 nan 8.370 nan 0.000 0.460 268 R N -0.411 120.052 120.500 -0.062 0.000 2.115 268 R HA -0.110 4.041 4.340 -0.314 0.000 0.230 268 R C 2.095 178.412 176.300 0.029 0.000 1.111 268 R CA 0.407 56.484 56.100 -0.038 0.000 0.976 268 R CB -0.963 29.291 30.300 -0.078 0.000 0.870 268 R HN 0.377 nan 8.270 nan 0.000 0.445 269 W N 0.971 122.205 121.300 -0.110 0.000 2.379 269 W HA -0.142 4.317 4.660 -0.334 0.000 0.307 269 W C 1.893 178.293 176.519 -0.199 0.000 1.200 269 W CA 1.000 58.259 57.345 -0.144 0.000 1.297 269 W CB -0.203 29.158 29.460 -0.165 0.000 1.140 269 W HN -0.225 nan 8.180 nan 0.000 0.507 270 V N 1.255 121.181 119.914 0.021 0.000 2.392 270 V HA -0.342 3.589 4.120 -0.314 0.000 0.249 270 V C 2.304 178.282 176.094 -0.193 0.000 1.059 270 V CA 1.982 64.219 62.300 -0.105 0.000 1.051 270 V CB -1.047 30.832 31.823 0.093 0.000 0.658 270 V HN 0.244 nan 8.190 nan 0.000 0.455 271 L N 0.032 121.182 121.223 -0.122 0.000 2.027 271 L HA -0.075 4.077 4.340 -0.314 0.000 0.206 271 L C 2.674 179.440 176.870 -0.173 0.000 1.074 271 L CA 1.824 56.608 54.840 -0.093 0.000 0.745 271 L CB -1.194 40.845 42.059 -0.034 0.000 0.898 271 L HN 0.458 nan 8.230 nan 0.000 0.433 272 G N -0.440 108.203 108.800 -0.263 0.000 2.480 272 G HA2 -0.317 3.455 3.960 -0.314 0.000 0.216 272 G HA3 -0.317 3.455 3.960 -0.314 0.000 0.216 272 G C 1.748 176.401 174.900 -0.411 0.000 1.200 272 G CA 0.985 45.861 45.100 -0.372 0.000 0.782 272 G HN 0.481 nan 8.290 nan 0.000 0.554 273 A N 1.096 123.460 122.820 -0.760 0.000 1.873 273 A HA -0.154 3.977 4.320 -0.314 0.000 0.218 273 A C 2.124 179.531 177.584 -0.296 0.000 1.193 273 A CA 2.367 53.918 52.037 -0.811 0.000 0.629 273 A CB -0.635 17.296 19.000 -1.782 0.000 0.826 273 A HN 0.324 nan 8.150 nan 0.000 0.447 274 D N -0.420 119.843 120.400 -0.229 0.000 2.144 274 D HA -0.060 4.392 4.640 -0.314 0.000 0.199 274 D C 2.261 178.440 176.300 -0.202 0.000 0.984 274 D CA 1.497 55.421 54.000 -0.127 0.000 0.834 274 D CB -0.355 40.414 40.800 -0.052 0.000 0.955 274 D HN 0.385 nan 8.370 nan 0.000 0.465 275 S N -0.271 115.330 115.700 -0.165 0.000 2.383 275 S HA -0.122 4.159 4.470 -0.314 0.000 0.227 275 S C 2.152 176.620 174.600 -0.220 0.000 1.026 275 S CA 1.567 59.690 58.200 -0.129 0.000 0.981 275 S CB -0.231 62.950 63.200 -0.030 0.000 0.818 275 S HN 0.525 nan 8.310 nan 0.000 0.472 276 T N 0.462 114.909 114.554 -0.177 0.000 2.951 276 T HA 0.144 4.306 4.350 -0.314 0.000 0.268 276 T C 1.683 176.169 174.700 -0.357 0.000 1.073 276 T CA 0.546 62.554 62.100 -0.152 0.000 1.134 276 T CB -0.456 68.428 68.868 0.027 0.000 0.884 276 T HN 0.329 nan 8.240 nan 0.000 0.479 277 I N 1.266 121.512 120.570 -0.541 0.000 2.286 277 I HA 0.081 4.063 4.170 -0.314 0.000 0.245 277 I C 2.875 178.670 176.117 -0.537 0.000 1.104 277 I CA 1.335 62.143 61.300 -0.820 0.000 1.397 277 I CB -0.493 36.972 38.000 -0.892 0.000 1.072 277 I HN 0.470 nan 8.210 nan 0.000 0.417 278 G N -1.194 107.268 108.800 -0.564 0.000 2.777 278 G HA2 -0.062 3.709 3.960 -0.314 0.000 0.211 278 G HA3 -0.062 3.709 3.960 -0.314 0.000 0.211 278 G C 1.265 175.593 174.900 -0.955 0.000 1.149 278 G CA 0.216 44.885 45.100 -0.719 0.000 0.785 278 G HN 0.392 nan 8.290 nan 0.000 0.536 279 H N -1.137 117.628 119.070 -0.509 0.000 3.436 279 H HA 0.264 4.630 4.556 -0.316 0.000 0.244 279 H C 2.041 177.121 175.328 -0.414 0.000 1.009 279 H CA -0.157 55.490 56.048 -0.668 0.000 1.129 279 H CB 0.488 29.298 29.762 -1.586 0.000 1.473 279 H HN 0.225 nan 8.280 nan 0.000 0.510 280 L N 0.679 121.798 121.223 -0.174 0.000 2.463 280 L HA 0.249 4.400 4.340 -0.314 0.000 0.219 280 L C 1.266 178.158 176.870 0.035 0.000 1.088 280 L CA 0.096 54.945 54.840 0.016 0.000 0.849 280 L CB 0.091 42.223 42.059 0.121 0.000 1.012 280 L HN 0.070 nan 8.230 nan 0.000 0.468 281 G N 0.443 109.210 108.800 -0.055 0.000 2.313 281 G HA2 0.186 3.958 3.960 -0.314 0.000 0.250 281 G HA3 0.186 3.958 3.960 -0.314 0.000 0.250 281 G C -0.332 174.468 174.900 -0.168 0.000 1.281 281 G CA 0.274 45.338 45.100 -0.060 0.000 0.917 281 G HN 0.085 nan 8.290 nan 0.000 0.501 282 S N 1.632 117.218 115.700 -0.190 0.000 2.548 282 S HA 0.582 4.863 4.470 -0.314 0.000 0.286 282 S C -0.962 173.419 174.600 -0.363 0.000 1.098 282 S CA -0.927 57.209 58.200 -0.107 0.000 0.930 282 S CB 0.961 64.424 63.200 0.437 0.000 1.070 282 S HN 0.630 nan 8.310 nan 0.000 0.480 283 H N 2.394 121.539 119.070 0.124 0.000 2.505 283 H HA 0.388 4.756 4.556 -0.313 0.000 0.338 283 H C -2.767 172.640 175.328 0.132 0.000 1.057 283 H CA -1.941 54.095 56.048 -0.020 0.000 1.202 283 H CB 1.272 31.016 29.762 -0.029 0.000 1.466 283 H HN 0.345 nan 8.280 nan 0.000 0.499 284 P HA -0.069 nan 4.420 nan 0.000 0.267 284 P C 1.079 178.570 177.300 0.318 0.000 1.205 284 P CA 0.197 63.531 63.100 0.390 0.000 0.765 284 P CB 0.795 32.669 31.700 0.290 0.000 0.828 285 S N 1.618 117.575 115.700 0.429 0.000 2.400 285 S HA -0.192 4.089 4.470 -0.314 0.000 0.232 285 S C 1.508 176.170 174.600 0.104 0.000 1.025 285 S CA 2.044 60.408 58.200 0.272 0.000 0.993 285 S CB -1.550 61.853 63.200 0.338 0.000 0.808 285 S HN 0.568 nan 8.310 nan 0.000 0.478 286 T N -1.653 112.879 114.554 -0.037 0.000 3.065 286 T HA 0.307 4.468 4.350 -0.314 0.000 0.252 286 T C 0.755 175.361 174.700 -0.156 0.000 1.099 286 T CA -0.246 61.731 62.100 -0.205 0.000 1.063 286 T CB -0.012 68.522 68.868 -0.556 0.000 0.948 286 T HN 0.156 nan 8.240 nan 0.000 0.506 287 R N 0.854 121.299 120.500 -0.092 0.000 2.718 287 R HA 0.406 4.558 4.340 -0.314 0.000 0.266 287 R C 0.048 176.302 176.300 -0.078 0.000 1.776 287 R CA -0.333 55.711 56.100 -0.093 0.000 1.567 287 R CB 1.045 31.286 30.300 -0.099 0.000 1.336 287 R HN 0.100 nan 8.270 nan 0.000 0.619 288 K N 1.003 121.360 120.400 -0.072 0.000 2.152 288 K HA -0.142 3.989 4.320 -0.314 0.000 0.206 288 K C 1.328 177.806 176.600 -0.204 0.000 1.048 288 K CA 1.814 58.039 56.287 -0.102 0.000 0.933 288 K CB 0.220 32.649 32.500 -0.117 0.000 0.721 288 K HN 0.482 nan 8.250 nan 0.000 0.447 289 D N -0.155 120.138 120.400 -0.179 0.000 2.351 289 D HA -0.171 4.281 4.640 -0.314 0.000 0.216 289 D C 0.082 176.253 176.300 -0.216 0.000 0.968 289 D CA 0.518 54.404 54.000 -0.191 0.000 0.899 289 D CB -0.003 40.709 40.800 -0.146 0.000 0.907 289 D HN 0.028 nan 8.370 nan 0.000 0.514 290 L N 0.655 121.728 121.223 -0.250 0.000 2.357 290 L HA 0.345 4.497 4.340 -0.314 0.000 0.273 290 L C 0.139 176.734 176.870 -0.458 0.000 1.080 290 L CA -0.058 54.514 54.840 -0.446 0.000 0.803 290 L CB 1.907 43.607 42.059 -0.598 0.000 1.174 290 L HN -0.203 nan 8.230 nan 0.000 0.443 291 T N 3.292 117.421 114.554 -0.709 0.000 2.881 291 T HA 0.621 4.783 4.350 -0.314 0.000 0.291 291 T C -0.868 173.302 174.700 -0.883 0.000 0.990 291 T CA -0.228 61.510 62.100 -0.604 0.000 0.976 291 T CB 0.523 69.197 68.868 -0.324 0.000 0.970 291 T HN 0.056 nan 8.240 nan 0.000 0.438 292 F N 1.396 121.060 119.950 -0.475 0.000 2.618 292 F HA 0.651 4.987 4.527 -0.318 0.000 0.332 292 F C -0.126 175.625 175.800 -0.082 0.000 1.061 292 F CA -1.720 56.003 58.000 -0.462 0.000 0.974 292 F CB 1.103 39.493 39.000 -1.016 0.000 1.310 292 F HN 0.239 nan 8.300 nan 0.000 0.491 293 L N 1.514 122.972 121.223 0.391 0.000 2.272 293 L HA 0.441 4.592 4.340 -0.314 0.000 0.289 293 L C -0.105 177.048 176.870 0.472 0.000 1.032 293 L CA -0.386 54.658 54.840 0.341 0.000 0.810 293 L CB 1.341 43.547 42.059 0.245 0.000 1.205 293 L HN 0.555 nan 8.230 nan 0.000 0.422 294 S N 1.004 116.957 115.700 0.422 0.000 2.652 294 S HA 0.415 4.697 4.470 -0.314 0.000 0.270 294 S C 0.200 174.994 174.600 0.325 0.000 1.243 294 S CA -0.746 57.661 58.200 0.346 0.000 0.999 294 S CB 1.659 65.020 63.200 0.269 0.000 0.973 294 S HN 0.752 nan 8.310 nan 0.000 0.544 295 S N 0.593 116.421 115.700 0.213 0.000 2.707 295 S HA 0.763 5.045 4.470 -0.314 0.000 0.276 295 S C -0.882 173.872 174.600 0.256 0.000 1.179 295 S CA -0.657 57.650 58.200 0.179 0.000 0.992 295 S CB 0.483 63.701 63.200 0.031 0.000 1.030 295 S HN 0.778 nan 8.310 nan 0.000 0.554 296 Y N -1.563 118.842 120.300 0.175 0.000 2.625 296 Y HA 0.722 5.082 4.550 -0.317 0.000 0.338 296 Y C -1.086 174.880 175.900 0.109 0.000 1.123 296 Y CA -1.215 56.997 58.100 0.187 0.000 1.046 296 Y CB 1.279 39.939 38.460 0.333 0.000 1.299 296 Y HN 0.875 nan 8.280 nan 0.000 0.464 297 N N 1.377 120.234 118.700 0.262 0.000 2.699 297 N HA 0.465 5.016 4.740 -0.314 0.000 0.271 297 N C -0.164 175.399 175.510 0.087 0.000 1.216 297 N CA 0.282 53.407 53.050 0.126 0.000 0.844 297 N CB 1.030 39.543 38.487 0.043 0.000 1.462 297 N HN 1.455 nan 8.380 nan 0.000 0.555 298 G N 1.992 110.817 108.800 0.041 0.000 2.525 298 G HA2 -0.308 3.463 3.960 -0.314 0.000 0.248 298 G HA3 -0.308 3.463 3.960 -0.314 0.000 0.248 298 G C 0.155 174.828 174.900 -0.377 0.000 1.238 298 G CA -0.131 44.880 45.100 -0.147 0.000 0.926 298 G HN 0.542 nan 8.290 nan 0.000 0.574 299 Q N 0.465 120.002 119.800 -0.439 0.000 2.365 299 Q HA 0.238 4.390 4.340 -0.314 0.000 0.203 299 Q C 1.444 177.418 176.000 -0.044 0.000 0.929 299 Q CA 1.010 56.430 55.803 -0.639 0.000 0.948 299 Q CB 0.205 28.695 28.738 -0.412 0.000 1.043 299 Q HN 1.099 nan 8.270 nan 0.000 0.505 300 S N 0.631 116.355 115.700 0.039 0.000 2.541 300 S HA 0.577 4.858 4.470 -0.314 0.000 0.283 300 S C 0.165 174.916 174.600 0.251 0.000 1.196 300 S CA -0.495 57.796 58.200 0.152 0.000 1.062 300 S CB 1.874 65.123 63.200 0.081 0.000 1.009 300 S HN 0.176 nan 8.310 nan 0.000 0.502 301 T N -0.510 114.194 114.554 0.251 0.000 2.912 301 T HA 0.689 4.850 4.350 -0.314 0.000 0.288 301 T C -0.397 174.374 174.700 0.120 0.000 1.030 301 T CA -0.785 61.465 62.100 0.250 0.000 1.020 301 T CB 1.576 70.612 68.868 0.279 0.000 1.056 301 T HN 0.694 nan 8.240 nan 0.000 0.480 302 S N 1.878 117.620 115.700 0.069 0.000 2.552 302 S HA 0.525 4.806 4.470 -0.314 0.000 0.314 302 S C -2.609 171.866 174.600 -0.207 0.000 1.099 302 S CA -1.801 56.364 58.200 -0.057 0.000 1.070 302 S CB 0.917 64.084 63.200 -0.056 0.000 0.998 302 S HN 0.553 nan 8.310 nan 0.000 0.474 303 P HA 0.092 nan 4.420 nan 0.000 0.271 303 P C -0.915 175.415 177.300 -1.617 0.000 1.601 303 P CA 0.225 62.639 63.100 -1.144 0.000 0.856 303 P CB -1.203 29.829 31.700 -1.113 0.000 1.820 304 N N -2.111 116.058 118.700 -0.885 0.000 2.229 304 N HA 0.647 5.198 4.740 -0.314 0.000 0.298 304 N C -0.947 174.400 175.510 -0.272 0.000 1.114 304 N CA -0.813 51.868 53.050 -0.615 0.000 0.776 304 N CB 1.868 40.139 38.487 -0.360 0.000 1.501 304 N HN -0.207 nan 8.380 nan 0.000 0.474 305 S N -0.256 115.212 115.700 -0.386 0.000 2.757 305 S HA 0.906 5.187 4.470 -0.314 0.000 0.285 305 S C -1.243 172.984 174.600 -0.622 0.000 1.196 305 S CA -0.069 57.925 58.200 -0.344 0.000 0.856 305 S CB 1.355 64.470 63.200 -0.142 0.000 1.212 305 S HN 1.046 nan 8.310 nan 0.000 0.516 306 G N -0.373 108.280 108.800 -0.247 0.000 2.489 306 G HA2 0.323 4.095 3.960 -0.314 0.000 0.305 306 G HA3 0.323 4.095 3.960 -0.314 0.000 0.305 306 G C -0.292 174.805 174.900 0.328 0.000 1.311 306 G CA -0.295 44.816 45.100 0.019 0.000 0.813 306 G HN 0.682 nan 8.290 nan 0.000 0.480 307 H N -0.371 118.850 119.070 0.253 0.000 2.422 307 H HA 0.037 4.394 4.556 -0.331 0.000 0.298 307 H C 2.478 177.925 175.328 0.198 0.000 1.098 307 H CA 1.677 57.886 56.048 0.269 0.000 1.315 307 H CB 0.096 30.006 29.762 0.247 0.000 1.382 307 H HN 0.263 nan 8.280 nan 0.000 0.523 308 L N -0.199 121.215 121.223 0.318 0.000 2.046 308 L HA -0.133 4.018 4.340 -0.314 0.000 0.208 308 L C 2.840 179.897 176.870 0.311 0.000 1.077 308 L CA 1.047 56.039 54.840 0.252 0.000 0.747 308 L CB -0.503 41.651 42.059 0.160 0.000 0.896 308 L HN 0.214 nan 8.230 nan 0.000 0.432 309 A N -0.219 122.754 122.820 0.255 0.000 2.172 309 A HA -0.125 4.006 4.320 -0.314 0.000 0.216 309 A C 2.355 179.825 177.584 -0.190 0.000 1.154 309 A CA 1.264 53.445 52.037 0.239 0.000 0.701 309 A CB -0.508 18.635 19.000 0.238 0.000 0.789 309 A HN 0.521 nan 8.150 nan 0.000 0.465 310 S N -0.305 115.197 115.700 -0.329 0.000 2.555 310 S HA -0.106 4.175 4.470 -0.314 0.000 0.230 310 S C 1.494 175.922 174.600 -0.288 0.000 0.978 310 S CA 0.870 58.655 58.200 -0.692 0.000 0.934 310 S CB -0.963 62.015 63.200 -0.370 0.000 0.766 310 S HN 0.859 nan 8.310 nan 0.000 0.533 311 F N 1.798 121.667 119.950 -0.135 0.000 2.558 311 F HA 0.379 4.981 4.527 0.124 0.000 0.298 311 F C 2.017 177.806 175.800 -0.017 0.000 1.119 311 F CA 0.088 58.063 58.000 -0.042 0.000 1.451 311 F CB -0.955 38.075 39.000 0.049 0.000 1.091 311 F HN 0.159 nan 8.300 nan 0.000 0.563 312 G N 1.243 109.387 108.800 -1.094 0.000 2.505 312 G HA2 -0.275 3.497 3.960 -0.314 0.000 0.220 312 G HA3 -0.275 3.497 3.960 -0.314 0.000 0.220 312 G C 1.894 176.536 174.900 -0.430 0.000 1.145 312 G CA 0.923 45.484 45.100 -0.898 0.000 0.761 312 G HN 0.610 nan 8.290 nan 0.000 0.571 313 G N 0.839 109.416 108.800 -0.372 0.000 2.476 313 G HA2 -0.037 3.734 3.960 -0.314 0.000 0.218 313 G HA3 -0.037 3.734 3.960 -0.314 0.000 0.218 313 G C 1.792 176.557 174.900 -0.225 0.000 1.164 313 G CA 1.474 46.419 45.100 -0.257 0.000 0.768 313 G HN 0.669 nan 8.290 nan 0.000 0.560 314 G N 0.516 109.125 108.800 -0.319 0.000 2.422 314 G HA2 -0.227 3.544 3.960 -0.314 0.000 0.218 314 G HA3 -0.227 3.544 3.960 -0.314 0.000 0.218 314 G C 1.696 176.165 174.900 -0.719 0.000 1.140 314 G CA 1.145 45.878 45.100 -0.611 0.000 0.775 314 G HN 0.509 nan 8.290 nan 0.000 0.545 315 N N -0.081 118.387 118.700 -0.386 0.000 2.106 315 N HA -0.046 4.505 4.740 -0.314 0.000 0.188 315 N C 1.822 177.327 175.510 -0.008 0.000 1.029 315 N CA 0.901 53.860 53.050 -0.153 0.000 0.848 315 N CB -0.317 38.217 38.487 0.079 0.000 1.007 315 N HN 0.265 nan 8.380 nan 0.000 0.423 316 F N 0.603 120.560 119.950 0.012 0.000 2.171 316 F HA -0.007 4.327 4.527 -0.322 0.000 0.300 316 F C 2.049 177.925 175.800 0.126 0.000 1.090 316 F CA 0.825 58.943 58.000 0.198 0.000 1.293 316 F CB -0.236 38.853 39.000 0.148 0.000 1.013 316 F HN 0.086 nan 8.300 nan 0.000 0.486 317 I N -0.811 119.839 120.570 0.134 0.000 2.179 317 I HA -0.298 3.683 4.170 -0.314 0.000 0.242 317 I C 2.396 178.531 176.117 0.030 0.000 1.088 317 I CA 0.859 62.192 61.300 0.055 0.000 1.357 317 I CB -0.479 37.497 38.000 -0.041 0.000 1.051 317 I HN 0.107 nan 8.210 nan 0.000 0.409 318 L N 1.297 122.471 121.223 -0.081 0.000 2.013 318 L HA -0.152 4.000 4.340 -0.314 0.000 0.212 318 L C 2.327 179.132 176.870 -0.109 0.000 1.073 318 L CA 2.392 57.209 54.840 -0.038 0.000 0.753 318 L CB -1.404 40.599 42.059 -0.093 0.000 0.890 318 L HN 0.223 nan 8.230 nan 0.000 0.432 319 G N -1.291 107.335 108.800 -0.291 0.000 2.422 319 G HA2 -0.211 3.560 3.960 -0.314 0.000 0.218 319 G HA3 -0.211 3.560 3.960 -0.314 0.000 0.218 319 G C 1.509 176.377 174.900 -0.052 0.000 1.146 319 G CA 0.596 45.363 45.100 -0.555 0.000 0.769 319 G HN 0.626 nan 8.290 nan 0.000 0.547 320 G N 0.766 109.670 108.800 0.175 0.000 2.422 320 G HA2 -0.101 3.670 3.960 -0.314 0.000 0.218 320 G HA3 -0.101 3.670 3.960 -0.314 0.000 0.218 320 G C 1.728 176.713 174.900 0.142 0.000 1.140 320 G CA 0.702 45.967 45.100 0.275 0.000 0.775 320 G HN 0.452 nan 8.290 nan 0.000 0.545 321 I N 0.018 120.641 120.570 0.088 0.000 2.133 321 I HA -0.088 3.894 4.170 -0.314 0.000 0.238 321 I C 2.446 178.609 176.117 0.076 0.000 1.074 321 I CA 0.483 61.824 61.300 0.068 0.000 1.342 321 I CB -0.247 37.791 38.000 0.063 0.000 1.053 321 I HN 0.040 nan 8.210 nan 0.000 0.404 322 L N 0.195 121.462 121.223 0.073 0.000 2.187 322 L HA -0.152 3.999 4.340 -0.314 0.000 0.213 322 L C 2.015 178.992 176.870 0.177 0.000 1.100 322 L CA 1.782 56.695 54.840 0.122 0.000 0.765 322 L CB -0.697 41.453 42.059 0.151 0.000 0.904 322 L HN 0.260 nan 8.230 nan 0.000 0.437 323 L N -1.206 120.100 121.223 0.139 0.000 2.693 323 L HA 0.185 4.337 4.340 -0.314 0.000 0.235 323 L C 0.379 177.330 176.870 0.135 0.000 1.127 323 L CA -0.176 54.757 54.840 0.156 0.000 0.914 323 L CB -0.059 42.111 42.059 0.185 0.000 1.193 323 L HN 0.261 nan 8.230 nan 0.000 0.502 324 N N 1.300 120.067 118.700 0.110 0.000 2.721 324 N HA -0.168 4.384 4.740 -0.314 0.000 0.249 324 N C -0.295 175.251 175.510 0.061 0.000 1.072 324 N CA 0.869 53.964 53.050 0.075 0.000 0.710 324 N CB -0.709 37.814 38.487 0.059 0.000 0.993 324 N HN 0.381 nan 8.380 nan 0.000 0.547 325 E N 0.741 120.992 120.200 0.085 0.000 2.101 325 E HA 0.168 4.330 4.350 -0.314 0.000 0.260 325 E C 1.052 177.640 176.600 -0.021 0.000 0.897 325 E CA -0.520 55.878 56.400 -0.002 0.000 0.744 325 E CB 1.199 30.862 29.700 -0.062 0.000 1.140 325 E HN 0.104 nan 8.360 nan 0.000 0.419 326 Q N 2.288 122.066 119.800 -0.036 0.000 2.152 326 Q HA -0.214 3.937 4.340 -0.314 0.000 0.206 326 Q C 1.698 177.679 176.000 -0.031 0.000 0.985 326 Q CA 1.520 57.312 55.803 -0.018 0.000 0.863 326 Q CB 0.043 28.767 28.738 -0.024 0.000 0.904 326 Q HN 0.556 nan 8.270 nan 0.000 0.422 327 K N -1.021 119.297 120.400 -0.136 0.000 2.044 327 K HA -0.201 3.931 4.320 -0.314 0.000 0.210 327 K C 1.940 178.536 176.600 -0.006 0.000 1.049 327 K CA 1.910 58.103 56.287 -0.158 0.000 0.927 327 K CB -0.859 31.433 32.500 -0.347 0.000 0.713 327 K HN 0.263 nan 8.250 nan 0.000 0.443 328 Y N 1.175 121.585 120.300 0.184 0.000 2.242 328 Y HA -0.056 4.309 4.550 -0.308 0.000 0.291 328 Y C 2.389 178.458 175.900 0.282 0.000 1.137 328 Y CA 0.469 58.774 58.100 0.342 0.000 1.181 328 Y CB -0.139 38.553 38.460 0.387 0.000 0.989 328 Y HN -0.029 nan 8.280 nan 0.000 0.527 329 I N 0.004 120.738 120.570 0.275 0.000 2.202 329 I HA -0.285 3.697 4.170 -0.314 0.000 0.242 329 I C 1.760 177.929 176.117 0.086 0.000 1.091 329 I CA 1.232 62.619 61.300 0.145 0.000 1.368 329 I CB -0.395 37.648 38.000 0.071 0.000 1.058 329 I HN 0.211 nan 8.210 nan 0.000 0.410 330 D N 0.808 121.255 120.400 0.079 0.000 2.104 330 D HA -0.239 4.212 4.640 -0.314 0.000 0.194 330 D C 1.972 178.291 176.300 0.031 0.000 0.994 330 D CA 1.464 55.490 54.000 0.043 0.000 0.830 330 D CB -0.484 40.338 40.800 0.037 0.000 0.959 330 D HN 0.279 nan 8.370 nan 0.000 0.452 331 F N 1.369 121.277 119.950 -0.071 0.000 2.134 331 F HA -0.070 4.265 4.527 -0.320 0.000 0.299 331 F C 2.305 177.954 175.800 -0.251 0.000 1.097 331 F CA 1.782 59.662 58.000 -0.199 0.000 1.264 331 F CB -0.206 38.619 39.000 -0.292 0.000 1.001 331 F HN -0.028 nan 8.300 nan 0.000 0.479 332 G N 0.802 109.549 108.800 -0.088 0.000 2.418 332 G HA2 -0.228 3.544 3.960 -0.314 0.000 0.217 332 G HA3 -0.228 3.544 3.960 -0.314 0.000 0.217 332 G C 1.602 176.362 174.900 -0.234 0.000 1.158 332 G CA 0.963 45.969 45.100 -0.156 0.000 0.771 332 G HN 0.321 nan 8.290 nan 0.000 0.545 333 I N 1.091 121.555 120.570 -0.176 0.000 2.226 333 I HA -0.102 3.880 4.170 -0.314 0.000 0.245 333 I C 2.543 178.613 176.117 -0.078 0.000 1.100 333 I CA 1.337 62.543 61.300 -0.157 0.000 1.374 333 I CB -0.745 37.229 38.000 -0.044 0.000 1.057 333 I HN 0.159 nan 8.210 nan 0.000 0.413 334 K N 1.228 121.521 120.400 -0.178 0.000 2.097 334 K HA -0.153 3.979 4.320 -0.314 0.000 0.206 334 K C 1.953 178.387 176.600 -0.277 0.000 1.049 334 K CA 1.283 57.438 56.287 -0.219 0.000 0.933 334 K CB -0.487 31.823 32.500 -0.317 0.000 0.717 334 K HN 0.040 nan 8.250 nan 0.000 0.442 335 L N 0.470 121.448 121.223 -0.407 0.000 2.027 335 L HA 0.039 4.190 4.340 -0.314 0.000 0.206 335 L C 2.281 179.152 176.870 0.003 0.000 1.074 335 L CA 2.055 56.728 54.840 -0.277 0.000 0.745 335 L CB -1.232 40.547 42.059 -0.467 0.000 0.898 335 L HN 0.280 nan 8.230 nan 0.000 0.433 336 A N -1.879 120.906 122.820 -0.059 0.000 1.908 336 A HA -0.261 3.870 4.320 -0.314 0.000 0.218 336 A C 2.594 180.301 177.584 0.205 0.000 1.181 336 A CA 2.148 54.209 52.037 0.039 0.000 0.627 336 A CB -1.006 17.935 19.000 -0.098 0.000 0.818 336 A HN 0.451 nan 8.150 nan 0.000 0.445 337 S N -0.735 115.091 115.700 0.211 0.000 2.355 337 S HA -0.120 4.161 4.470 -0.314 0.000 0.222 337 S C 2.272 176.941 174.600 0.117 0.000 1.031 337 S CA 1.875 60.206 58.200 0.218 0.000 0.993 337 S CB -0.425 62.867 63.200 0.154 0.000 0.859 337 S HN 0.551 nan 8.310 nan 0.000 0.453 338 S N -0.056 115.623 115.700 -0.035 0.000 2.356 338 S HA -0.033 4.248 4.470 -0.314 0.000 0.223 338 S C 1.565 176.108 174.600 -0.095 0.000 1.032 338 S CA 1.406 59.463 58.200 -0.237 0.000 1.005 338 S CB -0.562 62.280 63.200 -0.597 0.000 0.867 338 S HN 0.700 nan 8.310 nan 0.000 0.449 339 Y N 0.012 120.352 120.300 0.068 0.000 2.352 339 Y HA -0.010 4.366 4.550 -0.290 0.000 0.292 339 Y C 1.946 177.882 175.900 0.059 0.000 1.136 339 Y CA 0.701 58.857 58.100 0.093 0.000 1.227 339 Y CB -0.317 38.189 38.460 0.077 0.000 0.991 339 Y HN 0.310 nan 8.280 nan 0.000 0.545 340 F N 0.018 120.025 119.950 0.095 0.000 2.325 340 F HA 0.031 4.366 4.527 -0.320 0.000 0.299 340 F C 2.213 178.059 175.800 0.077 0.000 1.090 340 F CA 1.195 59.221 58.000 0.043 0.000 1.392 340 F CB -0.559 38.451 39.000 0.017 0.000 1.053 340 F HN -0.056 nan 8.300 nan 0.000 0.521 341 G N -0.790 107.994 108.800 -0.026 0.000 2.498 341 G HA2 -0.252 3.519 3.960 -0.314 0.000 0.219 341 G HA3 -0.252 3.519 3.960 -0.314 0.000 0.219 341 G C 1.548 176.378 174.900 -0.116 0.000 1.119 341 G CA 1.252 46.304 45.100 -0.079 0.000 0.766 341 G HN 0.467 nan 8.290 nan 0.000 0.552 342 T N -3.692 110.674 114.554 -0.313 0.000 3.088 342 T HA 0.128 4.289 4.350 -0.314 0.000 0.259 342 T C 1.849 176.439 174.700 -0.183 0.000 1.122 342 T CA 0.309 62.059 62.100 -0.582 0.000 1.095 342 T CB -0.214 67.885 68.868 -1.281 0.000 0.930 342 T HN 0.339 nan 8.240 nan 0.000 0.508 343 Y N 1.146 121.224 120.300 -0.370 0.000 2.222 343 Y HA 0.129 4.486 4.550 -0.322 0.000 0.290 343 Y C 3.187 178.878 175.900 -0.348 0.000 1.123 343 Y CA 1.215 59.092 58.100 -0.372 0.000 1.120 343 Y CB -0.364 37.753 38.460 -0.571 0.000 1.060 343 Y HN 0.156 nan 8.280 nan 0.000 0.508 344 T N -0.164 114.147 114.554 -0.405 0.000 2.977 344 T HA -0.179 3.983 4.350 -0.314 0.000 0.271 344 T C 1.302 175.981 174.700 -0.035 0.000 1.105 344 T CA 1.533 63.488 62.100 -0.241 0.000 1.116 344 T CB -0.158 68.547 68.868 -0.272 0.000 0.878 344 T HN 0.422 nan 8.240 nan 0.000 0.509 345 Q N 0.757 120.586 119.800 0.049 0.000 2.319 345 Q HA 0.131 4.282 4.340 -0.314 0.000 0.209 345 Q C 1.039 177.208 176.000 0.283 0.000 0.884 345 Q CA 0.125 56.015 55.803 0.144 0.000 0.938 345 Q CB 0.577 29.395 28.738 0.134 0.000 1.098 345 Q HN 0.589 nan 8.270 nan 0.000 0.517 346 T N -3.046 111.637 114.554 0.216 0.000 2.788 346 T HA 0.457 4.619 4.350 -0.314 0.000 0.280 346 T C 1.245 175.987 174.700 0.071 0.000 0.984 346 T CA -0.091 62.096 62.100 0.144 0.000 0.972 346 T CB 1.396 70.282 68.868 0.031 0.000 1.039 346 T HN 0.053 nan 8.240 nan 0.000 0.530 347 A N 0.796 123.626 122.820 0.017 0.000 1.929 347 A HA 0.033 4.165 4.320 -0.314 0.000 0.216 347 A C 2.533 180.117 177.584 -0.000 0.000 1.176 347 A CA 1.605 53.650 52.037 0.013 0.000 0.628 347 A CB -1.216 17.779 19.000 -0.009 0.000 0.816 347 A HN 1.093 nan 8.150 nan 0.000 0.444 348 S N -2.101 113.586 115.700 -0.022 0.000 2.527 348 S HA 0.356 4.638 4.470 -0.314 0.000 0.222 348 S C 1.479 176.058 174.600 -0.034 0.000 0.985 348 S CA 1.113 59.295 58.200 -0.030 0.000 0.921 348 S CB -0.233 62.938 63.200 -0.049 0.000 0.772 348 S HN 1.897 nan 8.310 nan 0.000 0.529 349 G N 0.879 109.658 108.800 -0.035 0.000 2.143 349 G HA2 -0.221 3.551 3.960 -0.314 0.000 0.249 349 G HA3 -0.221 3.551 3.960 -0.314 0.000 0.249 349 G C -0.071 174.788 174.900 -0.068 0.000 0.981 349 G CA 0.349 45.435 45.100 -0.023 0.000 0.665 349 G HN 0.595 nan 8.290 nan 0.000 0.528 350 I N 0.960 121.393 120.570 -0.228 0.000 2.441 350 I HA 0.572 4.554 4.170 -0.314 0.000 0.295 350 I C 1.149 176.796 176.117 -0.784 0.000 0.994 350 I CA -0.714 60.226 61.300 -0.601 0.000 1.144 350 I CB 1.869 39.544 38.000 -0.542 0.000 1.314 350 I HN 0.114 nan 8.210 nan 0.000 0.445 351 G N 5.858 113.712 108.800 -1.576 0.000 2.483 351 G HA2 0.374 4.146 3.960 -0.314 0.000 0.248 351 G HA3 0.374 4.146 3.960 -0.314 0.000 0.248 351 G C -2.528 172.214 174.900 -0.264 0.000 1.248 351 G CA -0.756 43.870 45.100 -0.789 0.000 0.838 351 G HN 0.328 nan 8.290 nan 0.000 0.566 352 P HA 0.153 nan 4.420 nan 0.000 0.276 352 P C 0.462 177.842 177.300 0.134 0.000 1.252 352 P CA -0.391 62.736 63.100 0.045 0.000 0.802 352 P CB 1.924 33.695 31.700 0.119 0.000 1.035 353 E N 0.523 120.711 120.200 -0.020 0.000 2.107 353 E HA 0.002 4.164 4.350 -0.314 0.000 0.191 353 E C 0.838 177.445 176.600 0.012 0.000 0.982 353 E CA 1.005 57.359 56.400 -0.078 0.000 0.809 353 E CB -0.230 29.110 29.700 -0.600 0.000 0.756 353 E HN 0.693 nan 8.360 nan 0.000 0.459 354 G N 0.262 109.059 108.800 -0.006 0.000 2.701 354 G HA2 0.498 4.270 3.960 -0.314 0.000 0.300 354 G HA3 0.498 4.270 3.960 -0.314 0.000 0.300 354 G C -1.176 173.779 174.900 0.091 0.000 1.410 354 G CA -0.627 44.466 45.100 -0.012 0.000 1.014 354 G HN 0.079 nan 8.290 nan 0.000 0.509 355 F N -0.014 119.901 119.950 -0.060 0.000 2.662 355 F HA 0.939 5.275 4.527 -0.319 0.000 0.312 355 F C -0.302 175.390 175.800 -0.180 0.000 1.113 355 F CA -1.440 56.513 58.000 -0.079 0.000 0.951 355 F CB 1.538 40.499 39.000 -0.066 0.000 1.344 355 F HN 0.888 nan 8.300 nan 0.000 0.462 356 A N 0.629 123.279 122.820 -0.284 0.000 2.569 356 A HA 0.921 5.052 4.320 -0.314 0.000 0.290 356 A C -1.998 175.067 177.584 -0.865 0.000 1.136 356 A CA -0.446 51.170 52.037 -0.701 0.000 0.710 356 A CB 1.193 19.599 19.000 -0.991 0.000 1.303 356 A HN 1.477 nan 8.150 nan 0.000 0.413 357 W N -1.663 119.093 121.300 -0.907 0.000 2.962 357 W HA 0.685 5.152 4.660 -0.321 0.000 0.405 357 W C -2.012 174.448 176.519 -0.097 0.000 1.121 357 W CA -1.013 56.035 57.345 -0.495 0.000 1.164 357 W CB 0.617 30.201 29.460 0.207 0.000 1.489 357 W HN 0.490 nan 8.180 nan 0.000 0.599 358 V N 2.453 122.621 119.914 0.424 0.000 2.384 358 V HA 0.143 4.074 4.120 -0.314 0.000 0.287 358 V C -0.130 176.221 176.094 0.429 0.000 1.020 358 V CA -0.547 61.951 62.300 0.331 0.000 0.850 358 V CB 0.912 32.991 31.823 0.426 0.000 0.987 358 V HN 0.537 nan 8.190 nan 0.000 0.436 359 D N 3.555 124.093 120.400 0.231 0.000 2.472 359 D HA -0.045 4.406 4.640 -0.314 0.000 0.248 359 D C 1.422 177.895 176.300 0.289 0.000 1.174 359 D CA 0.617 54.805 54.000 0.313 0.000 0.883 359 D CB 1.411 42.319 40.800 0.179 0.000 1.149 359 D HN 0.715 nan 8.370 nan 0.000 0.488 360 S N 2.441 118.331 115.700 0.316 0.000 2.447 360 S HA -0.107 4.174 4.470 -0.314 0.000 0.233 360 S C 1.692 176.398 174.600 0.178 0.000 1.006 360 S CA 0.636 58.978 58.200 0.238 0.000 0.957 360 S CB 0.111 63.446 63.200 0.225 0.000 0.773 360 S HN 0.374 nan 8.310 nan 0.000 0.507 361 V N 1.178 121.197 119.914 0.175 0.000 2.391 361 V HA 0.027 3.958 4.120 -0.314 0.000 0.237 361 V C 2.800 178.964 176.094 0.117 0.000 1.046 361 V CA 1.756 64.136 62.300 0.134 0.000 1.053 361 V CB -1.046 30.855 31.823 0.130 0.000 0.704 361 V HN 0.600 nan 8.190 nan 0.000 0.475 362 T N -0.653 113.973 114.554 0.121 0.000 3.160 362 T HA 0.114 4.275 4.350 -0.314 0.000 0.257 362 T C 1.477 176.236 174.700 0.098 0.000 1.147 362 T CA 1.272 63.434 62.100 0.103 0.000 1.064 362 T CB -0.481 68.449 68.868 0.103 0.000 0.949 362 T HN 0.962 nan 8.240 nan 0.000 0.526 363 G N 0.745 109.614 108.800 0.115 0.000 2.196 363 G HA2 -0.222 3.550 3.960 -0.314 0.000 0.268 363 G HA3 -0.222 3.550 3.960 -0.314 0.000 0.268 363 G C 0.497 175.456 174.900 0.098 0.000 0.975 363 G CA 0.383 45.550 45.100 0.112 0.000 0.648 363 G HN 1.079 nan 8.290 nan 0.000 0.538 364 A N -0.364 122.506 122.820 0.083 0.000 2.364 364 A HA 0.775 4.906 4.320 -0.314 0.000 0.258 364 A C 1.654 179.254 177.584 0.025 0.000 1.131 364 A CA 1.718 53.784 52.037 0.049 0.000 0.800 364 A CB -0.007 19.015 19.000 0.037 0.000 1.086 364 A HN 2.575 nan 8.150 nan 0.000 0.508 365 G N -2.313 106.478 108.800 -0.015 0.000 2.662 365 G HA2 0.414 4.186 3.960 -0.314 0.000 0.686 365 G HA3 0.414 4.186 3.960 -0.314 0.000 0.686 365 G C 0.418 175.363 174.900 0.077 0.000 1.271 365 G CA -0.062 45.015 45.100 -0.038 0.000 0.816 365 G HN 1.859 nan 8.290 nan 0.000 0.608 366 G N -0.671 108.234 108.800 0.174 0.000 2.935 366 G HA2 0.660 4.432 3.960 -0.314 0.000 0.157 366 G HA3 0.660 4.432 3.960 -0.314 0.000 0.157 366 G C 0.529 175.475 174.900 0.077 0.000 1.712 366 G CA 1.162 46.353 45.100 0.151 0.000 1.071 366 G HN 1.981 nan 8.290 nan 0.000 0.539 367 S N -0.221 115.386 115.700 -0.155 0.000 2.572 367 S HA 0.572 4.854 4.470 -0.314 0.000 0.274 367 S C -2.971 171.063 174.600 -0.944 0.000 1.150 367 S CA -0.870 57.092 58.200 -0.396 0.000 0.944 367 S CB 1.751 64.830 63.200 -0.202 0.000 1.071 367 S HN 0.214 nan 8.310 nan 0.000 0.479 368 P HA 0.147 nan 4.420 nan 0.000 0.261 368 P C -2.462 174.370 177.300 -0.780 0.000 1.173 368 P CA -0.553 61.625 63.100 -1.536 0.000 0.760 368 P CB -0.201 31.063 31.700 -0.727 0.000 0.783 369 P HA -0.051 nan 4.420 nan 0.000 0.268 369 P C 0.880 178.057 177.300 -0.205 0.000 1.205 369 P CA 0.121 63.031 63.100 -0.316 0.000 0.771 369 P CB 0.595 32.174 31.700 -0.202 0.000 0.858 370 S N 2.153 117.772 115.700 -0.135 0.000 2.389 370 S HA -0.271 4.010 4.470 -0.314 0.000 0.231 370 S C 1.938 176.506 174.600 -0.053 0.000 1.052 370 S CA 2.068 60.219 58.200 -0.083 0.000 1.053 370 S CB -1.776 61.389 63.200 -0.059 0.000 0.886 370 S HN 0.661 nan 8.310 nan 0.000 0.456 371 S N 1.424 117.095 115.700 -0.049 0.000 2.423 371 S HA -0.067 4.214 4.470 -0.314 0.000 0.231 371 S C 1.629 176.226 174.600 -0.005 0.000 1.014 371 S CA 0.798 58.983 58.200 -0.025 0.000 0.965 371 S CB -0.533 62.651 63.200 -0.027 0.000 0.785 371 S HN 0.734 nan 8.310 nan 0.000 0.495 372 Q N 0.494 120.289 119.800 -0.010 0.000 2.188 372 Q HA 0.327 4.478 4.340 -0.314 0.000 0.212 372 Q C 1.511 177.585 176.000 0.123 0.000 0.846 372 Q CA 0.014 55.862 55.803 0.075 0.000 0.989 372 Q CB 0.355 29.148 28.738 0.091 0.000 1.114 372 Q HN 0.575 nan 8.270 nan 0.000 0.488 373 S N 0.737 116.464 115.700 0.046 0.000 2.353 373 S HA -0.160 4.122 4.470 -0.314 0.000 0.222 373 S C 1.885 176.557 174.600 0.120 0.000 1.035 373 S CA 1.879 60.114 58.200 0.059 0.000 1.025 373 S CB -0.255 62.953 63.200 0.013 0.000 0.902 373 S HN 0.632 nan 8.310 nan 0.000 0.440 374 G N -0.210 108.648 108.800 0.095 0.000 2.408 374 G HA2 -0.136 3.636 3.960 -0.314 0.000 0.217 374 G HA3 -0.136 3.636 3.960 -0.314 0.000 0.217 374 G C 1.287 176.235 174.900 0.081 0.000 1.150 374 G CA 0.703 45.846 45.100 0.072 0.000 0.776 374 G HN 0.567 nan 8.290 nan 0.000 0.542 375 F N 0.286 120.242 119.950 0.010 0.000 2.126 375 F HA -0.121 4.216 4.527 -0.316 0.000 0.299 375 F C 2.320 178.118 175.800 -0.003 0.000 1.096 375 F CA 1.605 59.591 58.000 -0.024 0.000 1.255 375 F CB -0.201 38.773 39.000 -0.043 0.000 0.997 375 F HN 0.194 nan 8.300 nan 0.000 0.479 376 Y N 0.857 121.185 120.300 0.047 0.000 2.181 376 Y HA -0.195 4.166 4.550 -0.316 0.000 0.288 376 Y C 2.547 178.425 175.900 -0.035 0.000 1.146 376 Y CA 1.607 59.736 58.100 0.048 0.000 1.164 376 Y CB -1.035 37.596 38.460 0.285 0.000 0.982 376 Y HN 0.072 nan 8.280 nan 0.000 0.515 377 S N -0.427 115.173 115.700 -0.167 0.000 2.374 377 S HA -0.236 4.045 4.470 -0.314 0.000 0.227 377 S C 2.169 176.597 174.600 -0.286 0.000 1.037 377 S CA 1.943 59.994 58.200 -0.248 0.000 1.024 377 S CB -0.644 62.498 63.200 -0.096 0.000 0.861 377 S HN 0.729 nan 8.310 nan 0.000 0.456 378 S N 0.686 116.214 115.700 -0.287 0.000 2.483 378 S HA 0.396 4.678 4.470 -0.314 0.000 0.221 378 S C 1.816 176.203 174.600 -0.355 0.000 1.030 378 S CA 0.374 58.408 58.200 -0.277 0.000 0.925 378 S CB -0.072 62.995 63.200 -0.221 0.000 0.795 378 S HN 0.447 nan 8.310 nan 0.000 0.511 379 A N 1.331 123.805 122.820 -0.576 0.000 1.984 379 A HA 0.567 4.699 4.320 -0.314 0.000 0.214 379 A C 1.920 179.365 177.584 -0.232 0.000 1.173 379 A CA 0.873 52.539 52.037 -0.618 0.000 0.673 379 A CB -1.043 17.017 19.000 -1.566 0.000 0.830 379 A HN 1.540 nan 8.150 nan 0.000 0.453 380 G N -2.123 106.546 108.800 -0.219 0.000 2.141 380 G HA2 -0.120 3.651 3.960 -0.314 0.000 0.231 380 G HA3 -0.120 3.651 3.960 -0.314 0.000 0.231 380 G C 0.078 175.350 174.900 0.619 0.000 0.984 380 G CA 0.415 45.546 45.100 0.052 0.000 0.660 380 G HN 1.774 nan 8.290 nan 0.000 0.525 381 F N -2.987 117.309 119.950 0.578 0.000 2.770 381 F HA 0.690 5.033 4.527 -0.307 0.000 0.313 381 F C -0.956 175.288 175.800 0.742 0.000 1.154 381 F CA -1.999 56.367 58.000 0.610 0.000 0.923 381 F CB 0.201 39.304 39.000 0.170 0.000 1.301 381 F HN 0.519 nan 8.300 nan 0.000 0.449 382 W N 1.224 122.840 121.300 0.526 0.000 2.882 382 W HA 0.847 5.322 4.660 -0.308 0.000 0.345 382 W C -2.144 174.618 176.519 0.405 0.000 1.125 382 W CA -1.829 55.707 57.345 0.317 0.000 1.167 382 W CB 0.821 30.375 29.460 0.156 0.000 1.431 382 W HN 0.447 nan 8.180 nan 0.000 0.543 383 V N 2.628 122.816 119.914 0.458 0.000 2.546 383 V HA 0.282 4.213 4.120 -0.314 0.000 0.284 383 V C 0.882 177.153 176.094 0.295 0.000 1.050 383 V CA 0.384 62.878 62.300 0.324 0.000 0.981 383 V CB 1.037 32.956 31.823 0.160 0.000 0.990 383 V HN 0.874 nan 8.190 nan 0.000 0.474 384 T N 0.288 114.959 114.554 0.194 0.000 2.978 384 T HA 0.429 4.590 4.350 -0.314 0.000 0.248 384 T C 0.523 175.274 174.700 0.085 0.000 1.018 384 T CA 0.537 62.728 62.100 0.152 0.000 1.026 384 T CB 0.540 69.461 68.868 0.089 0.000 1.032 384 T HN 0.903 nan 8.240 nan 0.000 0.485 385 A N 2.800 125.635 122.820 0.024 0.000 2.605 385 A HA 0.656 4.787 4.320 -0.314 0.000 0.293 385 A C -2.105 175.368 177.584 -0.186 0.000 1.216 385 A CA -1.476 50.500 52.037 -0.101 0.000 0.742 385 A CB 1.345 20.206 19.000 -0.233 0.000 1.170 385 A HN 0.086 nan 8.150 nan 0.000 0.443 386 P HA -0.104 nan 4.420 nan 0.000 0.221 386 P C 0.422 177.727 177.300 0.008 0.000 1.150 386 P CA 1.017 64.114 63.100 -0.006 0.000 0.800 386 P CB -0.341 31.393 31.700 0.058 0.000 0.787 387 Y N -0.382 119.963 120.300 0.075 0.000 2.296 387 Y HA 0.413 4.772 4.550 -0.319 0.000 0.343 387 Y C -0.112 175.873 175.900 0.142 0.000 1.292 387 Y CA -1.364 56.785 58.100 0.081 0.000 1.490 387 Y CB -0.371 38.114 38.460 0.043 0.000 1.359 387 Y HN -0.140 nan 8.280 nan 0.000 0.599 388 Y N 3.413 123.814 120.300 0.169 0.000 2.361 388 Y HA 0.425 4.786 4.550 -0.316 0.000 0.328 388 Y C -0.535 175.431 175.900 0.111 0.000 1.044 388 Y CA -2.268 55.873 58.100 0.069 0.000 1.085 388 Y CB 1.403 39.859 38.460 -0.006 0.000 1.194 388 Y HN 0.761 nan 8.280 nan 0.000 0.438 389 I N 4.868 125.147 120.570 -0.485 0.000 3.399 389 I HA 0.332 4.314 4.170 -0.314 0.000 0.345 389 I C -0.481 175.390 176.117 -0.410 0.000 1.512 389 I CA -0.434 60.673 61.300 -0.321 0.000 1.047 389 I CB -0.030 37.971 38.000 0.001 0.000 1.552 389 I HN 0.773 nan 8.210 nan 0.000 0.494 390 L N -0.159 120.398 121.223 -1.110 0.000 3.898 390 L HA -0.195 3.956 4.340 -0.314 0.000 0.407 390 L C 0.580 177.503 176.870 0.090 0.000 1.207 390 L CA 0.492 55.067 54.840 -0.442 0.000 0.931 390 L CB -1.839 40.110 42.059 -0.184 0.000 2.014 390 L HN 0.608 nan 8.230 nan 0.000 0.858 391 R N 1.460 121.781 120.500 -0.299 0.000 2.738 391 R HA 0.131 4.282 4.340 -0.314 0.000 0.268 391 R C -1.189 175.256 176.300 0.241 0.000 1.062 391 R CA -0.355 55.633 56.100 -0.187 0.000 1.158 391 R CB 0.431 30.413 30.300 -0.528 0.000 1.046 391 R HN 0.038 nan 8.270 nan 0.000 0.493 392 P HA 0.157 nan 4.420 nan 0.000 0.289 392 P C -0.178 177.340 177.300 0.363 0.000 1.303 392 P CA 0.154 63.481 63.100 0.379 0.000 0.946 392 P CB 0.657 32.558 31.700 0.335 0.000 1.454 393 E N 0.390 120.826 120.200 0.393 0.000 2.136 393 E HA -0.161 4.000 4.350 -0.314 0.000 0.202 393 E C 1.820 178.505 176.600 0.142 0.000 1.019 393 E CA 2.402 58.968 56.400 0.277 0.000 0.819 393 E CB -1.348 28.550 29.700 0.330 0.000 0.739 393 E HN 0.218 nan 8.360 nan 0.000 0.458 394 T N 0.337 114.980 114.554 0.148 0.000 2.812 394 T HA -0.013 4.148 4.350 -0.314 0.000 0.264 394 T C 1.847 176.553 174.700 0.010 0.000 1.042 394 T CA 0.748 62.847 62.100 -0.001 0.000 1.140 394 T CB -0.201 68.578 68.868 -0.149 0.000 0.870 394 T HN 0.055 nan 8.240 nan 0.000 0.445 395 L N 0.845 122.119 121.223 0.085 0.000 2.131 395 L HA -0.089 4.063 4.340 -0.314 0.000 0.210 395 L C 2.721 179.587 176.870 -0.006 0.000 1.092 395 L CA 1.299 56.188 54.840 0.081 0.000 0.759 395 L CB -0.438 41.732 42.059 0.186 0.000 0.903 395 L HN 0.356 nan 8.230 nan 0.000 0.435 396 E N -0.089 120.032 120.200 -0.131 0.000 2.031 396 E HA -0.205 3.956 4.350 -0.314 0.000 0.193 396 E C 2.245 178.786 176.600 -0.098 0.000 0.994 396 E CA 1.606 57.694 56.400 -0.520 0.000 0.800 396 E CB 0.089 29.476 29.700 -0.521 0.000 0.752 396 E HN 0.344 nan 8.360 nan 0.000 0.447 397 S N 0.652 116.333 115.700 -0.033 0.000 2.382 397 S HA -0.111 4.170 4.470 -0.314 0.000 0.228 397 S C 1.975 176.549 174.600 -0.042 0.000 1.027 397 S CA 0.856 59.042 58.200 -0.023 0.000 0.991 397 S CB -0.207 62.940 63.200 -0.089 0.000 0.823 397 S HN 0.258 nan 8.310 nan 0.000 0.469 398 L N -0.115 121.100 121.223 -0.014 0.000 2.046 398 L HA -0.149 4.002 4.340 -0.314 0.000 0.208 398 L C 2.299 179.158 176.870 -0.019 0.000 1.077 398 L CA 1.623 56.465 54.840 0.004 0.000 0.747 398 L CB -0.630 41.464 42.059 0.059 0.000 0.896 398 L HN 0.376 nan 8.230 nan 0.000 0.432 399 Y N -0.255 119.979 120.300 -0.111 0.000 2.097 399 Y HA -0.367 3.991 4.550 -0.319 0.000 0.282 399 Y C 2.533 178.348 175.900 -0.143 0.000 1.152 399 Y CA 1.797 59.816 58.100 -0.135 0.000 1.136 399 Y CB -0.472 37.866 38.460 -0.203 0.000 0.975 399 Y HN -0.001 nan 8.280 nan 0.000 0.498 400 Y N 0.040 120.127 120.300 -0.356 0.000 2.165 400 Y HA -0.271 4.087 4.550 -0.320 0.000 0.286 400 Y C 2.703 178.318 175.900 -0.475 0.000 1.155 400 Y CA 1.471 59.321 58.100 -0.416 0.000 1.164 400 Y CB -0.943 37.381 38.460 -0.225 0.000 0.978 400 Y HN 0.305 nan 8.280 nan 0.000 0.513 401 A N -0.659 121.910 122.820 -0.419 0.000 1.908 401 A HA -0.295 3.837 4.320 -0.314 0.000 0.218 401 A C 2.077 179.124 177.584 -0.896 0.000 1.181 401 A CA 1.939 53.432 52.037 -0.906 0.000 0.627 401 A CB -1.370 16.593 19.000 -1.729 0.000 0.818 401 A HN 0.652 nan 8.150 nan 0.000 0.445 402 Y N 0.136 120.044 120.300 -0.653 0.000 2.163 402 Y HA -0.172 4.188 4.550 -0.317 0.000 0.288 402 Y C 2.468 178.195 175.900 -0.289 0.000 1.136 402 Y CA 1.764 59.677 58.100 -0.312 0.000 1.147 402 Y CB -0.046 38.339 38.460 -0.126 0.000 0.987 402 Y HN 0.147 nan 8.280 nan 0.000 0.509 403 R N -0.226 119.949 120.500 -0.542 0.000 2.152 403 R HA -0.124 4.028 4.340 -0.314 0.000 0.232 403 R C 2.199 178.270 176.300 -0.382 0.000 1.117 403 R CA 1.185 56.974 56.100 -0.519 0.000 0.981 403 R CB -1.224 28.739 30.300 -0.561 0.000 0.870 403 R HN 0.412 nan 8.270 nan 0.000 0.451 404 V N 0.888 120.601 119.914 -0.335 0.000 2.992 404 V HA -0.085 3.846 4.120 -0.314 0.000 0.250 404 V C 1.998 177.968 176.094 -0.207 0.000 1.090 404 V CA 1.946 64.116 62.300 -0.218 0.000 1.101 404 V CB 0.063 31.794 31.823 -0.154 0.000 0.743 404 V HN 0.509 nan 8.190 nan 0.000 0.468 405 T N -4.120 110.278 114.554 -0.260 0.000 3.042 405 T HA 0.275 4.436 4.350 -0.314 0.000 0.245 405 T C 1.669 176.276 174.700 -0.155 0.000 1.029 405 T CA 1.072 63.093 62.100 -0.132 0.000 1.120 405 T CB 0.506 69.394 68.868 0.034 0.000 0.917 405 T HN 1.179 nan 8.240 nan 0.000 0.467 406 G N 1.660 110.240 108.800 -0.367 0.000 2.148 406 G HA2 -0.213 3.558 3.960 -0.314 0.000 0.254 406 G HA3 -0.213 3.558 3.960 -0.314 0.000 0.254 406 G C -0.242 174.619 174.900 -0.065 0.000 0.981 406 G CA 0.180 45.040 45.100 -0.400 0.000 0.670 406 G HN 0.746 nan 8.290 nan 0.000 0.528 407 D N 0.894 121.376 120.400 0.137 0.000 2.316 407 D HA 0.467 4.919 4.640 -0.314 0.000 0.245 407 D C 1.869 178.430 176.300 0.435 0.000 1.171 407 D CA 0.403 54.569 54.000 0.275 0.000 0.856 407 D CB 0.882 41.856 40.800 0.291 0.000 1.090 407 D HN 0.288 nan 8.370 nan 0.000 0.476 408 S N 4.041 119.917 115.700 0.295 0.000 2.465 408 S HA -0.184 4.097 4.470 -0.314 0.000 0.241 408 S C 1.699 176.344 174.600 0.076 0.000 1.000 408 S CA 0.453 58.779 58.200 0.209 0.000 0.964 408 S CB -0.022 63.241 63.200 0.105 0.000 0.763 408 S HN 0.361 nan 8.310 nan 0.000 0.512 409 K N 0.968 121.355 120.400 -0.022 0.000 2.103 409 K HA -0.095 4.036 4.320 -0.314 0.000 0.207 409 K C 1.445 177.876 176.600 -0.281 0.000 1.048 409 K CA 1.526 57.680 56.287 -0.222 0.000 0.930 409 K CB -0.569 31.679 32.500 -0.419 0.000 0.716 409 K HN 0.710 nan 8.250 nan 0.000 0.444 410 W N 1.424 122.733 121.300 0.015 0.000 2.388 410 W HA -0.092 4.382 4.660 -0.310 0.000 0.294 410 W C 2.369 178.827 176.519 -0.101 0.000 1.212 410 W CA 0.592 57.913 57.345 -0.039 0.000 1.271 410 W CB -0.233 29.271 29.460 0.074 0.000 1.126 410 W HN 0.220 nan 8.180 nan 0.000 0.535 411 Q N 0.118 119.945 119.800 0.046 0.000 2.124 411 Q HA -0.189 3.962 4.340 -0.314 0.000 0.202 411 Q C 1.579 177.703 176.000 0.206 0.000 0.977 411 Q CA 1.488 57.270 55.803 -0.035 0.000 0.850 411 Q CB -0.361 28.291 28.738 -0.142 0.000 0.901 411 Q HN 0.260 nan 8.270 nan 0.000 0.429 412 D N 0.712 121.178 120.400 0.110 0.000 2.117 412 D HA -0.118 4.333 4.640 -0.314 0.000 0.197 412 D C 1.970 178.347 176.300 0.128 0.000 0.987 412 D CA 0.910 55.001 54.000 0.152 0.000 0.829 412 D CB -0.125 40.702 40.800 0.045 0.000 0.961 412 D HN 0.218 nan 8.370 nan 0.000 0.460 413 L N 0.715 121.885 121.223 -0.089 0.000 2.017 413 L HA -0.135 4.017 4.340 -0.314 0.000 0.208 413 L C 2.595 179.385 176.870 -0.133 0.000 1.073 413 L CA 1.162 55.779 54.840 -0.373 0.000 0.745 413 L CB -0.524 41.028 42.059 -0.845 0.000 0.894 413 L HN -0.026 nan 8.230 nan 0.000 0.432 414 A N -0.357 122.477 122.820 0.023 0.000 1.908 414 A HA -0.282 3.849 4.320 -0.314 0.000 0.218 414 A C 2.193 180.009 177.584 0.386 0.000 1.181 414 A CA 1.585 53.711 52.037 0.147 0.000 0.627 414 A CB -1.104 17.920 19.000 0.040 0.000 0.818 414 A HN 0.711 nan 8.150 nan 0.000 0.445 415 W N 0.795 122.296 121.300 0.335 0.000 2.358 415 W HA -0.184 4.286 4.660 -0.317 0.000 0.303 415 W C 1.773 178.420 176.519 0.213 0.000 1.208 415 W CA 1.732 59.277 57.345 0.333 0.000 1.274 415 W CB -0.074 29.502 29.460 0.193 0.000 1.138 415 W HN 0.533 nan 8.180 nan 0.000 0.515 416 E N 0.295 120.598 120.200 0.173 0.000 2.110 416 E HA -0.178 3.983 4.350 -0.314 0.000 0.193 416 E C 2.376 179.057 176.600 0.136 0.000 0.988 416 E CA 1.280 57.733 56.400 0.089 0.000 0.804 416 E CB -0.346 29.510 29.700 0.261 0.000 0.745 416 E HN 0.259 nan 8.360 nan 0.000 0.458 417 A N 1.150 124.120 122.820 0.249 0.000 1.855 417 A HA -0.147 3.984 4.320 -0.314 0.000 0.215 417 A C 2.181 179.882 177.584 0.195 0.000 1.191 417 A CA 0.999 53.196 52.037 0.266 0.000 0.613 417 A CB -0.633 18.478 19.000 0.185 0.000 0.829 417 A HN 0.247 nan 8.150 nan 0.000 0.442 418 L N 0.063 121.380 121.223 0.157 0.000 2.012 418 L HA -0.156 3.996 4.340 -0.314 0.000 0.210 418 L C 2.540 179.392 176.870 -0.030 0.000 1.073 418 L CA 2.599 57.518 54.840 0.131 0.000 0.748 418 L CB -0.455 41.725 42.059 0.201 0.000 0.891 418 L HN 0.308 nan 8.230 nan 0.000 0.431 419 S N 0.012 115.536 115.700 -0.292 0.000 2.359 419 S HA -0.223 4.058 4.470 -0.314 0.000 0.224 419 S C 2.103 176.646 174.600 -0.096 0.000 1.035 419 S CA 1.281 59.281 58.200 -0.334 0.000 1.018 419 S CB -0.783 62.079 63.200 -0.562 0.000 0.876 419 S HN 0.697 nan 8.310 nan 0.000 0.448 420 A N 1.366 124.168 122.820 -0.030 0.000 1.902 420 A HA -0.058 4.073 4.320 -0.314 0.000 0.217 420 A C 2.098 179.705 177.584 0.038 0.000 1.181 420 A CA 1.258 53.306 52.037 0.018 0.000 0.623 420 A CB -0.741 18.291 19.000 0.055 0.000 0.818 420 A HN 0.481 nan 8.150 nan 0.000 0.443 421 I N 0.306 120.926 120.570 0.083 0.000 2.142 421 I HA -0.312 3.669 4.170 -0.314 0.000 0.240 421 I C 2.659 178.874 176.117 0.164 0.000 1.078 421 I CA 1.985 63.359 61.300 0.123 0.000 1.343 421 I CB -0.514 37.639 38.000 0.255 0.000 1.046 421 I HN 0.640 nan 8.210 nan 0.000 0.405 422 E N 0.441 120.749 120.200 0.180 0.000 2.208 422 E HA -0.199 3.962 4.350 -0.314 0.000 0.193 422 E C 1.283 178.026 176.600 0.237 0.000 0.988 422 E CA 1.082 57.665 56.400 0.305 0.000 0.828 422 E CB -0.282 29.619 29.700 0.335 0.000 0.763 422 E HN 0.443 nan 8.360 nan 0.000 0.478 423 D N 1.247 121.719 120.400 0.121 0.000 2.178 423 D HA -0.059 4.392 4.640 -0.314 0.000 0.202 423 D C 1.776 178.116 176.300 0.066 0.000 0.974 423 D CA 1.570 55.616 54.000 0.077 0.000 0.841 423 D CB 0.110 40.931 40.800 0.036 0.000 0.953 423 D HN 0.372 nan 8.370 nan 0.000 0.478 424 A N -0.440 122.421 122.820 0.068 0.000 2.035 424 A HA 0.026 4.157 4.320 -0.314 0.000 0.208 424 A C 2.160 179.783 177.584 0.064 0.000 1.206 424 A CA 0.135 52.202 52.037 0.049 0.000 0.773 424 A CB -0.136 18.881 19.000 0.029 0.000 0.878 424 A HN 0.280 nan 8.150 nan 0.000 0.469 425 C N -0.272 119.096 119.300 0.113 0.000 2.594 425 C HA 0.242 4.513 4.460 -0.314 0.000 0.265 425 C C 1.276 176.324 174.990 0.097 0.000 1.351 425 C CA -0.437 58.647 59.018 0.110 0.000 1.744 425 C CB -1.501 26.310 27.740 0.119 0.000 1.890 425 C HN 0.540 nan 8.230 nan 0.000 0.551 426 R N 2.207 122.771 120.500 0.107 0.000 2.480 426 R HA 0.361 4.512 4.340 -0.314 0.000 0.303 426 R C -0.472 175.732 176.300 -0.161 0.000 0.985 426 R CA 0.743 56.748 56.100 -0.158 0.000 1.051 426 R CB -0.193 30.069 30.300 -0.063 0.000 0.935 426 R HN 0.439 nan 8.270 nan 0.000 0.410 427 A N 3.700 126.375 122.820 -0.242 0.000 2.547 427 A HA 0.614 4.746 4.320 -0.314 0.000 0.297 427 A C 0.515 177.999 177.584 -0.166 0.000 1.056 427 A CA -0.326 51.617 52.037 -0.157 0.000 0.688 427 A CB 1.095 20.026 19.000 -0.115 0.000 1.282 427 A HN 1.095 nan 8.150 nan 0.000 0.400 428 G N 1.504 110.225 108.800 -0.132 0.000 2.685 428 G HA2 -0.301 3.470 3.960 -0.314 0.000 0.329 428 G HA3 -0.301 3.470 3.960 -0.314 0.000 0.329 428 G C 1.373 176.192 174.900 -0.134 0.000 1.271 428 G CA 1.304 46.325 45.100 -0.132 0.000 1.003 428 G HN 1.728 nan 8.290 nan 0.000 0.549 429 S N 0.847 116.466 115.700 -0.134 0.000 2.489 429 S HA 0.475 4.756 4.470 -0.314 0.000 0.228 429 S C 1.325 175.895 174.600 -0.051 0.000 0.995 429 S CA 1.689 59.847 58.200 -0.070 0.000 0.934 429 S CB 0.059 63.232 63.200 -0.044 0.000 0.771 429 S HN 1.596 nan 8.310 nan 0.000 0.522 430 A N -0.199 122.545 122.820 -0.125 0.000 2.196 430 A HA 0.725 4.856 4.320 -0.314 0.000 0.174 430 A C -1.563 175.679 177.584 -0.569 0.000 1.272 430 A CA -0.470 51.447 52.037 -0.199 0.000 2.185 430 A CB 0.353 19.422 19.000 0.116 0.000 2.596 430 A HN 0.238 nan 8.150 nan 0.000 1.043 431 Y N -0.478 119.769 120.300 -0.087 0.000 2.545 431 Y HA 0.756 5.118 4.550 -0.312 0.000 0.348 431 Y C 0.263 175.967 175.900 -0.327 0.000 1.002 431 Y CA -0.161 57.792 58.100 -0.245 0.000 1.039 431 Y CB 2.257 40.441 38.460 -0.461 0.000 1.271 431 Y HN 0.648 nan 8.280 nan 0.000 0.467 432 S N 0.118 115.725 115.700 -0.154 0.000 2.607 432 S HA 0.642 4.923 4.470 -0.314 0.000 0.273 432 S C -1.180 173.330 174.600 -0.150 0.000 1.148 432 S CA -0.744 57.353 58.200 -0.171 0.000 0.833 432 S CB 1.016 64.142 63.200 -0.123 0.000 1.130 432 S HN 0.577 nan 8.310 nan 0.000 0.470 433 S N 1.704 117.313 115.700 -0.151 0.000 2.579 433 S HA 0.436 4.717 4.470 -0.314 0.000 0.275 433 S C 0.183 174.767 174.600 -0.028 0.000 1.345 433 S CA -0.281 57.855 58.200 -0.106 0.000 1.031 433 S CB -0.245 62.889 63.200 -0.110 0.000 0.892 433 S HN 0.651 nan 8.310 nan 0.000 0.529 434 I N -0.476 120.130 120.570 0.060 0.000 2.740 434 I HA 0.534 4.515 4.170 -0.314 0.000 0.303 434 I C 0.423 176.608 176.117 0.113 0.000 1.044 434 I CA -1.093 60.254 61.300 0.079 0.000 1.064 434 I CB 1.468 39.533 38.000 0.109 0.000 1.249 434 I HN 0.292 nan 8.210 nan 0.000 0.433 435 N N 1.586 120.332 118.700 0.076 0.000 2.109 435 N HA -0.067 4.485 4.740 -0.314 0.000 0.188 435 N C -0.162 175.423 175.510 0.125 0.000 1.034 435 N CA 1.352 54.458 53.050 0.095 0.000 0.846 435 N CB -0.015 38.496 38.487 0.040 0.000 1.010 435 N HN 0.693 nan 8.380 nan 0.000 0.425 436 D N 0.351 120.796 120.400 0.076 0.000 2.469 436 D HA 0.166 4.617 4.640 -0.314 0.000 0.251 436 D C 0.572 176.888 176.300 0.026 0.000 1.173 436 D CA -0.339 53.693 54.000 0.053 0.000 0.882 436 D CB 2.028 42.844 40.800 0.026 0.000 1.129 436 D HN -0.289 nan 8.370 nan 0.000 0.549 437 V N 3.200 123.125 119.914 0.018 0.000 2.667 437 V HA -0.159 3.772 4.120 -0.314 0.000 0.252 437 V C 2.310 178.371 176.094 -0.054 0.000 1.065 437 V CA 2.458 64.742 62.300 -0.026 0.000 1.083 437 V CB -0.208 31.588 31.823 -0.045 0.000 0.692 437 V HN 0.772 nan 8.190 nan 0.000 0.468 438 T N -2.441 112.073 114.554 -0.067 0.000 3.160 438 T HA -0.029 4.132 4.350 -0.314 0.000 0.257 438 T C 0.741 175.393 174.700 -0.081 0.000 1.147 438 T CA 0.371 62.399 62.100 -0.121 0.000 1.064 438 T CB -0.115 68.640 68.868 -0.189 0.000 0.949 438 T HN 0.487 nan 8.240 nan 0.000 0.526 439 Q N -0.400 119.373 119.800 -0.044 0.000 2.271 439 Q HA 0.684 4.836 4.340 -0.314 0.000 0.258 439 Q C 1.252 177.240 176.000 -0.019 0.000 0.936 439 Q CA -0.337 55.450 55.803 -0.027 0.000 0.909 439 Q CB 1.573 30.302 28.738 -0.014 0.000 1.253 439 Q HN 0.288 nan 8.270 nan 0.000 0.440 440 A N 3.478 126.291 122.820 -0.013 0.000 1.903 440 A HA -0.279 3.852 4.320 -0.314 0.000 0.219 440 A C 1.370 178.952 177.584 -0.003 0.000 1.191 440 A CA 2.368 54.402 52.037 -0.005 0.000 0.638 440 A CB -0.639 18.362 19.000 0.000 0.000 0.823 440 A HN 0.932 nan 8.150 nan 0.000 0.451 441 N N -1.405 117.294 118.700 -0.001 0.000 2.461 441 N HA 0.253 4.804 4.740 -0.314 0.000 0.188 441 N C 1.044 176.557 175.510 0.005 0.000 1.134 441 N CA 1.538 54.590 53.050 0.002 0.000 0.878 441 N CB -0.212 38.276 38.487 0.000 0.000 0.972 441 N HN 1.012 nan 8.380 nan 0.000 0.456 442 G N -1.307 107.495 108.800 0.004 0.000 2.213 442 G HA2 -0.107 3.664 3.960 -0.314 0.000 0.226 442 G HA3 -0.107 3.664 3.960 -0.314 0.000 0.226 442 G C 0.877 175.789 174.900 0.020 0.000 0.992 442 G CA 0.246 45.355 45.100 0.014 0.000 0.632 442 G HN 1.289 nan 8.290 nan 0.000 0.511 443 G N -0.698 108.108 108.800 0.009 0.000 2.184 443 G HA2 0.445 4.216 3.960 -0.314 0.000 0.264 443 G HA3 0.445 4.216 3.960 -0.314 0.000 0.264 443 G C 1.600 176.503 174.900 0.005 0.000 0.975 443 G CA 0.916 46.022 45.100 0.009 0.000 0.642 443 G HN 2.935 nan 8.290 nan 0.000 0.536 444 G N -1.401 107.400 108.800 0.001 0.000 2.911 444 G HA2 0.521 4.292 3.960 -0.314 0.000 0.686 444 G HA3 0.521 4.292 3.960 -0.314 0.000 0.686 444 G C 0.048 174.940 174.900 -0.013 0.000 1.136 444 G CA 0.740 45.833 45.100 -0.011 0.000 0.764 444 G HN 2.171 nan 8.290 nan 0.000 0.626 445 A N 1.126 123.927 122.820 -0.030 0.000 2.388 445 A HA 0.754 4.886 4.320 -0.314 0.000 0.257 445 A C 1.486 179.030 177.584 -0.065 0.000 1.095 445 A CA 0.788 52.798 52.037 -0.046 0.000 0.791 445 A CB 0.534 19.496 19.000 -0.062 0.000 1.029 445 A HN 2.261 nan 8.150 nan 0.000 0.489 446 S N 0.626 116.276 115.700 -0.083 0.000 2.597 446 S HA 0.234 4.515 4.470 -0.314 0.000 0.224 446 S C 0.082 174.584 174.600 -0.164 0.000 0.955 446 S CA 0.528 58.660 58.200 -0.114 0.000 0.933 446 S CB -0.355 62.772 63.200 -0.121 0.000 0.788 446 S HN 0.935 nan 8.310 nan 0.000 0.488 447 D N 0.889 121.196 120.400 -0.154 0.000 2.956 447 D HA -0.168 4.284 4.640 -0.314 0.000 0.240 447 D C -0.889 175.228 176.300 -0.305 0.000 1.141 447 D CA 1.242 55.131 54.000 -0.186 0.000 0.820 447 D CB -1.430 39.266 40.800 -0.174 0.000 0.988 447 D HN 0.719 nan 8.370 nan 0.000 0.417 448 D N 0.763 121.034 120.400 -0.216 0.000 2.836 448 D HA 0.434 4.885 4.640 -0.314 0.000 0.215 448 D C -1.317 174.911 176.300 -0.119 0.000 1.255 448 D CA -0.574 53.309 54.000 -0.195 0.000 0.822 448 D CB 0.862 41.511 40.800 -0.252 0.000 1.656 448 D HN 0.148 nan 8.370 nan 0.000 0.511 449 M N 3.194 122.772 119.600 -0.036 0.000 1.980 449 M HA 0.326 4.618 4.480 -0.314 0.000 0.282 449 M C -0.961 175.283 176.300 -0.094 0.000 0.878 449 M CA -0.545 54.691 55.300 -0.107 0.000 0.900 449 M CB 1.010 33.592 32.600 -0.031 0.000 1.577 449 M HN 0.230 nan 8.290 nan 0.000 0.396 450 E N 1.322 121.354 120.200 -0.279 0.000 2.437 450 E HA 0.007 4.168 4.350 -0.314 0.000 0.263 450 E C 0.992 177.357 176.600 -0.391 0.000 1.030 450 E CA 0.548 56.644 56.400 -0.508 0.000 0.934 450 E CB 1.074 30.006 29.700 -1.280 0.000 0.943 450 E HN 0.836 nan 8.360 nan 0.000 0.444 451 S N 2.178 117.731 115.700 -0.245 0.000 2.399 451 S HA -0.219 4.062 4.470 -0.314 0.000 0.231 451 S C 1.742 176.418 174.600 0.126 0.000 1.022 451 S CA 1.397 59.630 58.200 0.055 0.000 0.983 451 S CB -0.597 62.639 63.200 0.059 0.000 0.803 451 S HN 0.555 nan 8.310 nan 0.000 0.480 452 F N 0.350 120.421 119.950 0.202 0.000 2.494 452 F HA 0.186 4.553 4.527 -0.266 0.000 0.298 452 F C 2.126 178.055 175.800 0.215 0.000 1.106 452 F CA -0.595 57.507 58.000 0.169 0.000 1.452 452 F CB -1.354 37.719 39.000 0.122 0.000 1.085 452 F HN 0.354 nan 8.300 nan 0.000 0.569 453 W N 0.881 122.232 121.300 0.086 0.000 2.379 453 W HA -0.220 4.245 4.660 -0.325 0.000 0.307 453 W C 1.386 177.905 176.519 0.001 0.000 1.200 453 W CA 1.516 58.872 57.345 0.017 0.000 1.297 453 W CB -0.712 28.601 29.460 -0.245 0.000 1.140 453 W HN 0.115 nan 8.180 nan 0.000 0.507 454 F N 1.148 121.151 119.950 0.088 0.000 2.113 454 F HA -0.123 4.213 4.527 -0.319 0.000 0.297 454 F C 2.829 178.695 175.800 0.109 0.000 1.103 454 F CA 2.066 60.089 58.000 0.040 0.000 1.248 454 F CB -1.059 37.988 39.000 0.077 0.000 0.999 454 F HN -0.109 nan 8.300 nan 0.000 0.475 455 A N -0.596 122.408 122.820 0.308 0.000 1.930 455 A HA -0.072 4.059 4.320 -0.314 0.000 0.215 455 A C 1.896 179.450 177.584 -0.050 0.000 1.176 455 A CA 1.570 53.693 52.037 0.143 0.000 0.632 455 A CB -0.323 18.757 19.000 0.134 0.000 0.819 455 A HN 0.419 nan 8.150 nan 0.000 0.445 456 E N -1.112 119.103 120.200 0.026 0.000 2.290 456 E HA 0.256 4.417 4.350 -0.314 0.000 0.195 456 E C 2.349 178.967 176.600 0.031 0.000 0.938 456 E CA 0.417 56.794 56.400 -0.037 0.000 1.018 456 E CB -0.279 29.513 29.700 0.153 0.000 1.042 456 E HN 0.384 nan 8.360 nan 0.000 0.483 457 A N 2.036 124.953 122.820 0.161 0.000 1.873 457 A HA -0.191 3.940 4.320 -0.314 0.000 0.218 457 A C 2.250 179.790 177.584 -0.075 0.000 1.193 457 A CA 1.473 53.605 52.037 0.158 0.000 0.629 457 A CB -0.946 18.259 19.000 0.340 0.000 0.826 457 A HN 0.137 nan 8.150 nan 0.000 0.447 458 L N -1.213 119.814 121.223 -0.326 0.000 2.217 458 L HA -0.136 4.016 4.340 -0.314 0.000 0.211 458 L C 2.536 179.324 176.870 -0.137 0.000 1.107 458 L CA 1.613 56.274 54.840 -0.299 0.000 0.783 458 L CB -0.331 41.502 42.059 -0.378 0.000 0.919 458 L HN 0.472 nan 8.230 nan 0.000 0.442 459 K N -0.044 120.238 120.400 -0.197 0.000 2.007 459 K HA -0.178 3.953 4.320 -0.314 0.000 0.206 459 K C 2.063 178.460 176.600 -0.338 0.000 1.047 459 K CA 1.621 57.734 56.287 -0.290 0.000 0.937 459 K CB -0.325 31.910 32.500 -0.442 0.000 0.718 459 K HN 0.019 nan 8.250 nan 0.000 0.438 460 Y N 0.524 120.664 120.300 -0.267 0.000 2.224 460 Y HA -0.027 4.322 4.550 -0.335 0.000 0.289 460 Y C 2.318 178.047 175.900 -0.285 0.000 1.146 460 Y CA 1.105 58.943 58.100 -0.438 0.000 1.182 460 Y CB -0.872 37.390 38.460 -0.330 0.000 0.983 460 Y HN 0.215 nan 8.280 nan 0.000 0.524 461 A N -0.670 122.171 122.820 0.035 0.000 1.908 461 A HA -0.269 3.862 4.320 -0.314 0.000 0.218 461 A C 2.112 179.741 177.584 0.076 0.000 1.181 461 A CA 1.848 53.927 52.037 0.070 0.000 0.627 461 A CB -1.331 17.782 19.000 0.188 0.000 0.818 461 A HN 0.563 nan 8.150 nan 0.000 0.445 462 Y N 0.457 120.748 120.300 -0.015 0.000 2.133 462 Y HA -0.104 4.255 4.550 -0.318 0.000 0.287 462 Y C 1.954 177.838 175.900 -0.027 0.000 1.134 462 Y CA 1.761 59.880 58.100 0.032 0.000 1.133 462 Y CB -0.384 38.041 38.460 -0.058 0.000 0.987 462 Y HN 0.193 nan 8.280 nan 0.000 0.502 463 L N -0.047 121.065 121.223 -0.185 0.000 2.187 463 L HA -0.225 3.927 4.340 -0.314 0.000 0.213 463 L C 2.495 179.304 176.870 -0.101 0.000 1.100 463 L CA 1.413 56.120 54.840 -0.221 0.000 0.765 463 L CB -0.511 41.366 42.059 -0.303 0.000 0.904 463 L HN 0.354 nan 8.230 nan 0.000 0.437 464 I N -1.100 119.361 120.570 -0.182 0.000 2.830 464 I HA -0.245 3.736 4.170 -0.314 0.000 0.263 464 I C 1.485 177.290 176.117 -0.519 0.000 1.230 464 I CA 1.030 62.187 61.300 -0.238 0.000 1.480 464 I CB 0.188 37.952 38.000 -0.394 0.000 1.095 464 I HN 0.109 nan 8.210 nan 0.000 0.455 465 F N 0.475 120.318 119.950 -0.178 0.000 2.717 465 F HA 0.408 4.749 4.527 -0.311 0.000 0.297 465 F C 1.429 177.065 175.800 -0.275 0.000 1.113 465 F CA -0.145 57.715 58.000 -0.233 0.000 1.319 465 F CB -0.884 37.992 39.000 -0.207 0.000 1.097 465 F HN -0.111 nan 8.300 nan 0.000 0.595 466 A N 0.487 123.144 122.820 -0.273 0.000 2.310 466 A HA 0.306 4.438 4.320 -0.314 0.000 0.260 466 A C 0.647 178.162 177.584 -0.115 0.000 1.112 466 A CA -0.423 51.396 52.037 -0.363 0.000 0.804 466 A CB 0.172 18.733 19.000 -0.732 0.000 1.081 466 A HN 0.096 nan 8.150 nan 0.000 0.499 467 E N 0.792 120.953 120.200 -0.065 0.000 2.371 467 E HA 0.162 4.323 4.350 -0.314 0.000 0.257 467 E C -0.216 176.400 176.600 0.027 0.000 1.134 467 E CA -0.438 55.962 56.400 -0.000 0.000 0.919 467 E CB 0.341 30.048 29.700 0.012 0.000 1.025 467 E HN 0.538 nan 8.360 nan 0.000 0.438 468 E N 0.752 120.973 120.200 0.034 0.000 2.418 468 E HA 0.127 4.288 4.350 -0.314 0.000 0.261 468 E C 0.102 176.728 176.600 0.044 0.000 1.070 468 E CA 0.179 56.605 56.400 0.044 0.000 0.931 468 E CB 0.811 30.529 29.700 0.031 0.000 0.954 468 E HN 0.576 nan 8.360 nan 0.000 0.439 469 S N 0.453 116.188 115.700 0.059 0.000 2.655 469 S HA 0.189 4.471 4.470 -0.314 0.000 0.266 469 S C -0.163 174.474 174.600 0.062 0.000 1.149 469 S CA -0.654 57.580 58.200 0.057 0.000 0.818 469 S CB 0.449 63.732 63.200 0.139 0.000 1.130 469 S HN 0.216 nan 8.310 nan 0.000 0.476 470 D N 0.514 120.947 120.400 0.054 0.000 2.269 470 D HA 0.054 4.506 4.640 -0.314 0.000 0.208 470 D C 1.766 178.065 176.300 -0.002 0.000 0.963 470 D CA 0.997 55.048 54.000 0.086 0.000 0.864 470 D CB -0.116 40.801 40.800 0.196 0.000 0.936 470 D HN 0.342 nan 8.370 nan 0.000 0.505 471 V N 0.669 120.483 119.914 -0.166 0.000 2.548 471 V HA -0.131 3.800 4.120 -0.314 0.000 0.249 471 V C 1.079 177.193 176.094 0.033 0.000 1.055 471 V CA 0.891 63.017 62.300 -0.290 0.000 1.065 471 V CB -0.410 31.216 31.823 -0.327 0.000 0.681 471 V HN 0.265 nan 8.190 nan 0.000 0.462 472 Q N 1.171 121.053 119.800 0.137 0.000 2.330 472 Q HA 0.150 4.302 4.340 -0.314 0.000 0.279 472 Q C -0.062 176.067 176.000 0.214 0.000 1.024 472 Q CA 0.093 56.048 55.803 0.253 0.000 0.900 472 Q CB 1.338 30.183 28.738 0.177 0.000 1.221 472 Q HN 0.492 nan 8.270 nan 0.000 0.396 473 V N 0.890 120.947 119.914 0.239 0.000 2.508 473 V HA 0.111 4.042 4.120 -0.314 0.000 0.281 473 V C 0.048 176.164 176.094 0.037 0.000 1.041 473 V CA -0.710 61.673 62.300 0.138 0.000 1.016 473 V CB 0.827 32.706 31.823 0.093 0.000 0.984 473 V HN 0.511 nan 8.190 nan 0.000 0.478 474 Q N 4.003 123.833 119.800 0.051 0.000 2.294 474 Q HA 0.498 4.649 4.340 -0.314 0.000 0.257 474 Q C 1.102 177.103 176.000 0.001 0.000 0.955 474 Q CA 0.274 56.086 55.803 0.015 0.000 0.936 474 Q CB 1.575 30.330 28.738 0.029 0.000 1.188 474 Q HN 0.990 nan 8.270 nan 0.000 0.420 475 A N 2.835 125.634 122.820 -0.036 0.000 1.969 475 A HA -0.115 4.017 4.320 -0.314 0.000 0.218 475 A C 1.397 178.973 177.584 -0.013 0.000 1.169 475 A CA 1.770 53.785 52.037 -0.038 0.000 0.635 475 A CB -0.164 18.788 19.000 -0.080 0.000 0.810 475 A HN 0.704 nan 8.150 nan 0.000 0.445 476 T N -2.813 111.735 114.554 -0.011 0.000 3.260 476 T HA 0.485 4.646 4.350 -0.314 0.000 0.254 476 T C 0.872 175.577 174.700 0.008 0.000 0.951 476 T CA 0.604 62.703 62.100 -0.001 0.000 0.918 476 T CB -0.747 68.116 68.868 -0.007 0.000 1.098 476 T HN 1.802 nan 8.240 nan 0.000 0.563 477 G N 0.477 109.287 108.800 0.017 0.000 2.752 477 G HA2 0.279 4.051 3.960 -0.314 0.000 0.234 477 G HA3 0.279 4.051 3.960 -0.314 0.000 0.234 477 G C 0.600 175.509 174.900 0.015 0.000 1.367 477 G CA -0.066 45.046 45.100 0.019 0.000 0.879 477 G HN 1.873 nan 8.290 nan 0.000 0.563 478 G N -1.588 107.216 108.800 0.007 0.000 2.149 478 G HA2 -0.166 3.605 3.960 -0.314 0.000 0.235 478 G HA3 -0.166 3.605 3.960 -0.314 0.000 0.235 478 G C 0.124 175.035 174.900 0.019 0.000 1.018 478 G CA 0.917 46.019 45.100 0.004 0.000 0.728 478 G HN 1.522 nan 8.290 nan 0.000 0.508 479 N N 0.137 118.853 118.700 0.026 0.000 2.497 479 N HA 0.432 4.983 4.740 -0.314 0.000 0.268 479 N C 1.263 176.792 175.510 0.032 0.000 1.171 479 N CA 0.188 53.272 53.050 0.057 0.000 0.948 479 N CB 0.685 39.218 38.487 0.077 0.000 1.069 479 N HN 0.333 nan 8.380 nan 0.000 0.460 480 K N 1.237 121.687 120.400 0.083 0.000 2.358 480 K HA 0.187 4.319 4.320 -0.314 0.000 0.200 480 K C -0.575 175.913 176.600 -0.187 0.000 1.030 480 K CA 0.318 56.593 56.287 -0.021 0.000 1.097 480 K CB 0.442 32.967 32.500 0.042 0.000 0.862 480 K HN 0.359 nan 8.250 nan 0.000 0.534 481 F N 0.060 119.987 119.950 -0.038 0.000 2.620 481 F HA 0.410 4.745 4.527 -0.320 0.000 0.320 481 F C -0.456 175.286 175.800 -0.096 0.000 1.069 481 F CA -1.158 56.792 58.000 -0.083 0.000 0.953 481 F CB 1.911 40.799 39.000 -0.186 0.000 1.322 481 F HN -0.447 nan 8.300 nan 0.000 0.479 482 V N 1.967 121.910 119.914 0.048 0.000 2.668 482 V HA 0.335 4.266 4.120 -0.314 0.000 0.304 482 V C -0.956 175.081 176.094 -0.096 0.000 1.071 482 V CA -1.090 61.231 62.300 0.036 0.000 0.894 482 V CB 1.671 33.557 31.823 0.105 0.000 1.008 482 V HN 0.484 nan 8.190 nan 0.000 0.425 483 F N 4.934 124.941 119.950 0.094 0.000 2.456 483 F HA 0.336 4.672 4.527 -0.317 0.000 0.358 483 F C 1.166 176.955 175.800 -0.019 0.000 1.095 483 F CA 0.007 58.019 58.000 0.020 0.000 1.216 483 F CB 0.809 39.920 39.000 0.185 0.000 1.125 483 F HN 0.722 nan 8.300 nan 0.000 0.549 484 N N 0.942 119.620 118.700 -0.037 0.000 2.364 484 N HA -0.007 4.544 4.740 -0.314 0.000 0.264 484 N C 0.907 176.599 175.510 0.303 0.000 1.263 484 N CA -0.088 52.995 53.050 0.055 0.000 0.959 484 N CB 0.371 38.763 38.487 -0.158 0.000 1.204 484 N HN 0.568 nan 8.380 nan 0.000 0.550 485 T N -1.135 113.679 114.554 0.435 0.000 2.977 485 T HA -0.142 4.019 4.350 -0.314 0.000 0.271 485 T C 0.640 175.403 174.700 0.105 0.000 1.105 485 T CA 1.231 63.458 62.100 0.211 0.000 1.116 485 T CB -0.239 68.644 68.868 0.026 0.000 0.878 485 T HN 0.624 nan 8.240 nan 0.000 0.509 486 E N 0.030 120.260 120.200 0.050 0.000 2.499 486 E HA 0.559 4.721 4.350 -0.314 0.000 0.207 486 E C 0.694 177.062 176.600 -0.387 0.000 1.034 486 E CA 0.385 56.721 56.400 -0.108 0.000 1.098 486 E CB -0.514 29.149 29.700 -0.061 0.000 1.148 486 E HN 0.304 nan 8.360 nan 0.000 0.447 487 A N 0.977 123.720 122.820 -0.128 0.000 2.832 487 A HA -0.214 3.917 4.320 -0.314 0.000 0.280 487 A C -0.550 176.962 177.584 -0.119 0.000 1.464 487 A CA 1.067 53.015 52.037 -0.148 0.000 0.804 487 A CB -2.291 16.434 19.000 -0.459 0.000 1.020 487 A HN 0.471 nan 8.150 nan 0.000 0.563 488 H N -0.028 119.078 119.070 0.060 0.000 2.641 488 H HA 0.399 4.773 4.556 -0.303 0.000 0.295 488 H C -2.609 172.498 175.328 -0.367 0.000 1.070 488 H CA -1.758 54.244 56.048 -0.078 0.000 1.257 488 H CB 0.851 30.594 29.762 -0.032 0.000 1.393 488 H HN 0.414 nan 8.280 nan 0.000 0.464 489 P HA 0.140 nan 4.420 nan 0.000 0.276 489 P C -0.559 176.802 177.300 0.101 0.000 1.243 489 P CA 0.150 63.053 63.100 -0.328 0.000 0.768 489 P CB 0.425 31.778 31.700 -0.579 0.000 0.856 490 F N 0.460 120.492 119.950 0.135 0.000 2.492 490 F HA 0.280 4.624 4.527 -0.305 0.000 0.327 490 F C 1.196 176.943 175.800 -0.088 0.000 1.079 490 F CA -1.178 56.878 58.000 0.093 0.000 0.967 490 F CB 1.724 40.750 39.000 0.044 0.000 1.169 490 F HN 0.168 nan 8.300 nan 0.000 0.472 491 S N 2.707 118.344 115.700 -0.106 0.000 2.576 491 S HA 0.302 4.583 4.470 -0.314 0.000 0.276 491 S C -0.091 174.402 174.600 -0.179 0.000 1.339 491 S CA -0.753 57.089 58.200 -0.596 0.000 1.039 491 S CB 0.547 63.437 63.200 -0.516 0.000 0.902 491 S HN 0.486 nan 8.310 nan 0.000 0.516 492 I N 0.561 120.950 120.570 -0.303 0.000 2.720 492 I HA 0.358 4.340 4.170 -0.314 0.000 0.287 492 I C 1.648 177.418 176.117 -0.579 0.000 1.090 492 I CA -0.745 60.303 61.300 -0.420 0.000 1.384 492 I CB 0.517 38.315 38.000 -0.337 0.000 1.420 492 I HN 0.665 nan 8.210 nan 0.000 0.575 493 R N 3.096 122.945 120.500 -1.086 0.000 2.190 493 R HA -0.183 3.968 4.340 -0.314 0.000 0.255 493 R C 0.663 176.785 176.300 -0.296 0.000 1.143 493 R CA 2.019 57.748 56.100 -0.619 0.000 0.965 493 R CB -0.337 29.619 30.300 -0.573 0.000 0.889 493 R HN 1.015 nan 8.270 nan 0.000 0.448 494 S N 0.000 115.538 115.700 -0.270 0.000 2.498 494 S HA 0.000 4.281 4.470 -0.314 0.000 0.327 494 S CA 0.000 58.097 58.200 -0.172 0.000 1.107 494 S CB 0.000 63.112 63.200 -0.147 0.000 0.593 494 S HN 0.000 nan 8.310 nan 0.000 0.517