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 3gzk_1_A DATA FIRST_RESID 7 DATA SEQUENCE KSIFYNQVGY LISGDKRFWI QAHEPQPFAL RTPEGQAVFA GMTKPVGGNW DATA SEQUENCE YVGDFTALRV PGTYTLTVGT LEARVVIHRR AYRDVLEAML RFFDYQLCGV DATA SEQUENCE VLPEDEAGPW AHGACHTSDA KVFGTERALA CPGGWHDAGD YGKYTVPAAK DATA SEQUENCE AVADLLLAHE YFPAALAHVR PMRSVHRAPH LPPALEVARE EIAWLLTMQD DATA SEQUENCE PATGGVYHKV TTPSFPPLDT RPEDDDAPLV LSPISYAATA TFCAAMAHAA DATA SEQUENCE LVYRPFDPAL SSCCADAARR AYAWLGAHEM QPFHNPDGIL TGEYGDAELR DATA SEQUENCE DELLWASCAL LRMTGDSAWA RVCEPLLDLD LPWELGWADV ALYGVMDYLR DATA SEQUENCE TPRAAVSDDV RNKVKSRLLR ELDALAAMAE SHPFGIPMRD DDFIWGSNMV DATA SEQUENCE LLNRAMAFLL AEGVGVLHPA AHTVAQRAAD YLFGANPLGQ CYVTGFGQRP DATA SEQUENCE VRHPHHRPSV ADDVDHPVPG MVVGGPNRHL QDEIARAQLA GRPAMEAYID DATA SEQUENCE HQDSYSTNEV AVYWNSPAVF VIAALLEARG R 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 0.000 176.611 176.600 0.019 0.000 0.988 7 K CA 0.000 56.326 56.287 0.066 0.000 0.838 7 K CB 0.000 32.527 32.500 0.045 0.000 1.064 8 S N 3.068 118.755 115.700 -0.023 0.000 2.671 8 S HA 0.674 5.128 4.470 -0.027 0.000 0.277 8 S C -0.453 174.033 174.600 -0.191 0.000 1.165 8 S CA -1.082 57.024 58.200 -0.157 0.000 0.822 8 S CB 0.745 63.781 63.200 -0.273 0.000 1.150 8 S HN 0.416 nan 8.310 nan 0.000 0.479 9 I N 1.277 121.778 120.570 -0.116 0.000 2.428 9 I HA 0.351 4.505 4.170 -0.027 0.000 0.289 9 I C -1.075 175.102 176.117 0.101 0.000 1.019 9 I CA -0.368 60.991 61.300 0.098 0.000 1.351 9 I CB 0.397 38.402 38.000 0.009 0.000 1.412 9 I HN 0.477 nan 8.210 nan 0.000 0.513 10 F N 6.689 127.035 119.950 0.660 0.000 2.427 10 F HA 0.542 5.053 4.527 -0.027 0.000 0.346 10 F C -0.094 176.196 175.800 0.818 0.000 1.120 10 F CA -0.541 57.828 58.000 0.615 0.000 1.033 10 F CB 0.907 40.225 39.000 0.529 0.000 1.126 10 F HN 0.350 nan 8.300 nan 0.000 0.462 11 Y N 0.009 120.641 120.300 0.553 0.000 2.725 11 Y HA 0.416 4.950 4.550 -0.027 0.000 0.333 11 Y C -1.122 175.022 175.900 0.406 0.000 1.242 11 Y CA -1.699 56.775 58.100 0.622 0.000 1.059 11 Y CB 0.884 39.692 38.460 0.580 0.000 1.306 11 Y HN 0.407 nan 8.280 nan 0.000 0.454 12 N N 1.819 120.764 118.700 0.409 0.000 2.402 12 N HA 0.052 4.776 4.740 -0.027 0.000 0.259 12 N C -0.023 175.469 175.510 -0.030 0.000 1.167 12 N CA 0.435 53.515 53.050 0.049 0.000 0.949 12 N CB 0.957 39.302 38.487 -0.236 0.000 1.212 12 N HN 0.875 nan 8.380 nan 0.000 0.493 13 Q N 1.853 121.523 119.800 -0.218 0.000 2.436 13 Q HA -0.012 4.312 4.340 -0.027 0.000 0.209 13 Q C 1.435 177.414 176.000 -0.034 0.000 0.965 13 Q CA 0.674 56.344 55.803 -0.221 0.000 0.910 13 Q CB 0.546 29.093 28.738 -0.318 0.000 0.980 13 Q HN 0.462 nan 8.270 nan 0.000 0.491 14 V N -0.717 119.150 119.914 -0.078 0.000 2.379 14 V HA 0.135 4.239 4.120 -0.027 0.000 0.243 14 V C 1.011 177.110 176.094 0.007 0.000 1.035 14 V CA 1.377 63.606 62.300 -0.117 0.000 1.035 14 V CB 0.296 31.809 31.823 -0.517 0.000 0.673 14 V HN 0.521 nan 8.190 nan 0.000 0.457 15 G N -1.803 107.014 108.800 0.029 0.000 2.350 15 G HA2 0.239 4.183 3.960 -0.027 0.000 0.282 15 G HA3 0.239 4.183 3.960 -0.027 0.000 0.282 15 G C -2.043 172.722 174.900 -0.224 0.000 1.314 15 G CA -0.718 44.372 45.100 -0.016 0.000 0.915 15 G HN 0.001 nan 8.290 nan 0.000 0.499 16 Y N -0.816 119.554 120.300 0.117 0.000 2.512 16 Y HA 0.682 5.216 4.550 -0.027 0.000 0.348 16 Y C 0.512 176.381 175.900 -0.053 0.000 0.990 16 Y CA -0.869 57.283 58.100 0.087 0.000 1.033 16 Y CB 2.099 40.632 38.460 0.122 0.000 1.259 16 Y HN 0.502 nan 8.280 nan 0.000 0.461 17 L N 3.542 124.816 121.223 0.086 0.000 2.371 17 L HA 0.247 4.571 4.340 -0.027 0.000 0.272 17 L C 1.298 178.196 176.870 0.046 0.000 1.124 17 L CA -0.061 54.785 54.840 0.010 0.000 0.816 17 L CB 0.713 42.788 42.059 0.026 0.000 1.129 17 L HN 0.790 nan 8.230 nan 0.000 0.448 18 I N 1.226 121.809 120.570 0.021 0.000 2.145 18 I HA -0.352 3.802 4.170 -0.027 0.000 0.244 18 I C 2.127 178.241 176.117 -0.005 0.000 1.075 18 I CA 2.064 63.369 61.300 0.008 0.000 1.332 18 I CB -0.093 37.898 38.000 -0.014 0.000 1.033 18 I HN 0.850 nan 8.210 nan 0.000 0.410 19 S N -0.377 115.322 115.700 -0.002 0.000 2.605 19 S HA 0.240 4.694 4.470 -0.027 0.000 0.217 19 S C 0.668 175.268 174.600 0.001 0.000 0.958 19 S CA -0.111 58.085 58.200 -0.006 0.000 0.919 19 S CB -0.290 62.907 63.200 -0.006 0.000 0.780 19 S HN 0.356 nan 8.310 nan 0.000 0.507 20 G N 0.214 109.024 108.800 0.017 0.000 2.552 20 G HA2 0.515 4.459 3.960 -0.027 0.000 0.324 20 G HA3 0.515 4.459 3.960 -0.027 0.000 0.324 20 G C -1.342 173.560 174.900 0.003 0.000 1.217 20 G CA -0.781 44.344 45.100 0.043 0.000 0.989 20 G HN 0.236 nan 8.290 nan 0.000 0.490 21 D N -0.469 119.943 120.400 0.020 0.000 2.414 21 D HA 0.342 4.966 4.640 -0.027 0.000 0.242 21 D C -0.082 176.175 176.300 -0.070 0.000 1.129 21 D CA 0.599 54.575 54.000 -0.040 0.000 0.885 21 D CB 0.559 41.362 40.800 0.005 0.000 1.198 21 D HN 0.142 nan 8.370 nan 0.000 0.437 22 K N 2.856 123.042 120.400 -0.356 0.000 2.545 22 K HA 0.479 4.783 4.320 -0.027 0.000 0.252 22 K C -0.668 175.406 176.600 -0.877 0.000 0.948 22 K CA -0.801 54.969 56.287 -0.861 0.000 0.827 22 K CB 2.410 33.866 32.500 -1.740 0.000 1.128 22 K HN 0.280 nan 8.250 nan 0.000 0.429 23 R N 3.206 123.472 120.500 -0.390 0.000 2.673 23 R HA 0.494 4.818 4.340 -0.027 0.000 0.281 23 R C -1.469 174.868 176.300 0.061 0.000 0.991 23 R CA -0.681 55.236 56.100 -0.305 0.000 0.896 23 R CB 1.087 31.094 30.300 -0.488 0.000 1.201 23 R HN 0.565 nan 8.270 nan 0.000 0.457 24 F N 0.682 120.537 119.950 -0.158 0.000 2.611 24 F HA 0.771 5.282 4.527 -0.027 0.000 0.324 24 F C -1.361 174.359 175.800 -0.132 0.000 1.061 24 F CA -1.052 57.035 58.000 0.145 0.000 0.954 24 F CB 1.404 40.536 39.000 0.219 0.000 1.301 24 F HN 0.246 nan 8.300 nan 0.000 0.482 25 W N 3.084 124.666 121.300 0.469 0.000 2.761 25 W HA 0.729 5.373 4.660 -0.027 0.000 0.340 25 W C -0.988 175.993 176.519 0.769 0.000 1.072 25 W CA -1.044 56.542 57.345 0.401 0.000 1.215 25 W CB 2.317 31.927 29.460 0.249 0.000 1.420 25 W HN 0.720 nan 8.180 nan 0.000 0.519 26 I N -0.882 120.230 120.570 0.905 0.000 2.827 26 I HA 0.372 4.526 4.170 -0.027 0.000 0.298 26 I C -0.924 175.517 176.117 0.541 0.000 1.235 26 I CA -1.301 60.475 61.300 0.793 0.000 1.021 26 I CB 2.223 40.547 38.000 0.539 0.000 1.259 26 I HN 0.266 nan 8.210 nan 0.000 0.427 27 Q N 3.173 123.106 119.800 0.220 0.000 2.295 27 Q HA 0.743 5.067 4.340 -0.027 0.000 0.259 27 Q C -0.452 175.545 176.000 -0.004 0.000 0.976 27 Q CA -0.402 55.301 55.803 -0.167 0.000 0.923 27 Q CB 1.665 30.164 28.738 -0.398 0.000 1.185 27 Q HN 0.836 nan 8.270 nan 0.000 0.410 28 A N 1.660 124.491 122.820 0.017 0.000 2.586 28 A HA 0.390 4.694 4.320 -0.027 0.000 0.290 28 A C -0.997 176.606 177.584 0.032 0.000 1.086 28 A CA -0.689 51.318 52.037 -0.050 0.000 0.665 28 A CB 0.788 19.653 19.000 -0.226 0.000 1.279 28 A HN 1.008 nan 8.150 nan 0.000 0.423 29 H N -0.664 118.305 119.070 -0.168 0.000 2.785 29 H HA 0.572 5.111 4.556 -0.027 0.000 0.268 29 H C -0.132 175.155 175.328 -0.069 0.000 1.153 29 H CA 0.575 56.611 56.048 -0.020 0.000 1.111 29 H CB 0.233 29.994 29.762 -0.002 0.000 1.633 29 H HN 0.726 nan 8.280 nan 0.000 0.576 30 E N -0.286 119.703 120.200 -0.351 0.000 2.401 30 E HA 0.366 4.700 4.350 -0.027 0.000 0.280 30 E C -3.256 173.011 176.600 -0.555 0.000 1.039 30 E CA -2.688 53.529 56.400 -0.306 0.000 0.814 30 E CB 1.437 31.057 29.700 -0.132 0.000 1.275 30 E HN -0.031 nan 8.360 nan 0.000 0.448 31 P HA 0.033 nan 4.420 nan 0.000 0.266 31 P C -1.143 176.143 177.300 -0.024 0.000 1.195 31 P CA 0.210 63.317 63.100 0.011 0.000 0.768 31 P CB 0.396 32.180 31.700 0.139 0.000 0.838 32 Q N 3.034 122.863 119.800 0.049 0.000 2.389 32 Q HA 0.460 4.783 4.340 -0.027 0.000 0.277 32 Q C -2.609 173.488 176.000 0.162 0.000 1.082 32 Q CA -2.330 53.522 55.803 0.080 0.000 0.810 32 Q CB 1.848 30.636 28.738 0.083 0.000 1.374 32 Q HN 0.272 nan 8.270 nan 0.000 0.422 33 P HA 0.136 nan 4.420 nan 0.000 0.271 33 P C -1.253 176.155 177.300 0.180 0.000 1.218 33 P CA -0.036 63.101 63.100 0.062 0.000 0.780 33 P CB 0.300 31.992 31.700 -0.014 0.000 0.901 34 F N -0.371 119.631 119.950 0.085 0.000 2.613 34 F HA 0.900 5.411 4.527 -0.027 0.000 0.314 34 F C -1.446 174.374 175.800 0.033 0.000 1.075 34 F CA -1.612 56.431 58.000 0.072 0.000 0.945 34 F CB 1.142 40.258 39.000 0.194 0.000 1.310 34 F HN 0.414 nan 8.300 nan 0.000 0.467 35 A N 2.221 125.140 122.820 0.165 0.000 2.475 35 A HA 0.823 5.127 4.320 -0.027 0.000 0.301 35 A C -2.084 175.556 177.584 0.093 0.000 1.059 35 A CA -0.799 51.276 52.037 0.064 0.000 0.710 35 A CB 1.619 20.612 19.000 -0.012 0.000 1.288 35 A HN 0.797 nan 8.150 nan 0.000 0.408 36 L N 1.698 122.974 121.223 0.089 0.000 2.307 36 L HA 0.693 5.017 4.340 -0.027 0.000 0.284 36 L C 0.309 177.213 176.870 0.056 0.000 1.023 36 L CA 0.056 54.884 54.840 -0.021 0.000 0.810 36 L CB 1.690 43.636 42.059 -0.188 0.000 1.231 36 L HN 0.822 nan 8.230 nan 0.000 0.423 37 R N 0.128 120.691 120.500 0.105 0.000 2.795 37 R HA 0.668 4.992 4.340 -0.027 0.000 0.275 37 R C -0.433 175.999 176.300 0.219 0.000 0.981 37 R CA -0.953 55.230 56.100 0.138 0.000 0.917 37 R CB 1.655 31.987 30.300 0.054 0.000 1.202 37 R HN 0.662 nan 8.270 nan 0.000 0.469 38 T N -1.427 113.224 114.554 0.162 0.000 2.748 38 T HA 0.098 4.432 4.350 -0.027 0.000 0.304 38 T C -1.712 172.978 174.700 -0.015 0.000 1.041 38 T CA -1.181 60.941 62.100 0.037 0.000 1.033 38 T CB 0.453 69.336 68.868 0.025 0.000 0.995 38 T HN 0.262 nan 8.240 nan 0.000 0.536 39 P HA -0.108 nan 4.420 nan 0.000 0.219 39 P C 1.635 178.919 177.300 -0.028 0.000 1.146 39 P CA 0.903 63.972 63.100 -0.050 0.000 0.808 39 P CB -0.033 31.628 31.700 -0.066 0.000 0.779 40 E N -0.700 119.488 120.200 -0.021 0.000 2.208 40 E HA -0.062 4.272 4.350 -0.027 0.000 0.193 40 E C 1.447 178.044 176.600 -0.005 0.000 0.988 40 E CA 1.524 57.917 56.400 -0.011 0.000 0.828 40 E CB -0.951 28.744 29.700 -0.007 0.000 0.763 40 E HN 0.284 nan 8.360 nan 0.000 0.478 41 G N 1.097 109.898 108.800 0.002 0.000 2.205 41 G HA2 -0.260 3.684 3.960 -0.027 0.000 0.180 41 G HA3 -0.260 3.684 3.960 -0.027 0.000 0.180 41 G C 0.061 174.969 174.900 0.014 0.000 1.004 41 G CA 0.092 45.195 45.100 0.005 0.000 0.670 41 G HN 0.360 nan 8.290 nan 0.000 0.496 42 Q N 1.034 120.848 119.800 0.022 0.000 2.304 42 Q HA 0.663 4.987 4.340 -0.027 0.000 0.260 42 Q C 0.677 176.703 176.000 0.045 0.000 0.965 42 Q CA 0.424 56.243 55.803 0.026 0.000 0.898 42 Q CB 0.875 29.628 28.738 0.025 0.000 1.196 42 Q HN 0.907 nan 8.270 nan 0.000 0.402 43 A N 3.639 126.476 122.820 0.029 0.000 2.450 43 A HA 0.264 4.568 4.320 -0.027 0.000 0.255 43 A C 0.308 177.921 177.584 0.049 0.000 1.096 43 A CA -0.445 51.611 52.037 0.032 0.000 0.778 43 A CB 0.579 19.576 19.000 -0.006 0.000 1.031 43 A HN 0.745 nan 8.150 nan 0.000 0.494 44 V N 1.887 121.852 119.914 0.084 0.000 3.635 44 V HA 0.265 4.369 4.120 -0.027 0.000 0.266 44 V C -0.048 176.132 176.094 0.143 0.000 1.316 44 V CA 0.553 62.913 62.300 0.100 0.000 1.060 44 V CB -0.906 30.995 31.823 0.130 0.000 0.820 44 V HN 0.745 nan 8.190 nan 0.000 0.447 45 F N 0.110 120.022 119.950 -0.064 0.000 2.650 45 F HA 0.771 5.282 4.527 -0.027 0.000 0.310 45 F C -0.822 174.910 175.800 -0.113 0.000 1.112 45 F CA -0.443 57.516 58.000 -0.068 0.000 0.986 45 F CB 1.514 40.489 39.000 -0.042 0.000 1.285 45 F HN -0.107 nan 8.300 nan 0.000 0.440 46 A N 2.754 125.140 122.820 -0.724 0.000 2.549 46 A HA 0.957 5.261 4.320 -0.027 0.000 0.297 46 A C -0.992 176.026 177.584 -0.944 0.000 1.061 46 A CA -0.114 51.536 52.037 -0.645 0.000 0.690 46 A CB 1.614 20.368 19.000 -0.410 0.000 1.287 46 A HN 1.606 nan 8.150 nan 0.000 0.402 47 G N 0.297 108.417 108.800 -1.132 0.000 2.619 47 G HA2 0.579 4.523 3.960 -0.027 0.000 0.305 47 G HA3 0.579 4.523 3.960 -0.027 0.000 0.305 47 G C -1.545 172.968 174.900 -0.645 0.000 1.330 47 G CA -0.631 43.964 45.100 -0.843 0.000 0.789 47 G HN 0.551 nan 8.290 nan 0.000 0.487 48 M N 1.764 121.307 119.600 -0.095 0.000 2.383 48 M HA 0.385 4.849 4.480 -0.027 0.000 0.325 48 M C 0.728 177.266 176.300 0.396 0.000 1.092 48 M CA -0.658 54.730 55.300 0.148 0.000 0.961 48 M CB 1.252 33.897 32.600 0.075 0.000 1.672 48 M HN 0.849 nan 8.290 nan 0.000 0.438 49 T N 0.893 115.709 114.554 0.437 0.000 2.802 49 T HA 0.477 4.811 4.350 -0.027 0.000 0.305 49 T C -0.135 174.744 174.700 0.298 0.000 1.053 49 T CA -0.437 61.853 62.100 0.317 0.000 1.058 49 T CB 0.740 69.787 68.868 0.299 0.000 0.988 49 T HN 0.765 nan 8.240 nan 0.000 0.539 50 K N -0.144 120.385 120.400 0.215 0.000 2.508 50 K HA 0.623 4.927 4.320 -0.027 0.000 0.260 50 K C -3.307 173.085 176.600 -0.346 0.000 0.949 50 K CA -2.438 53.885 56.287 0.060 0.000 0.834 50 K CB 1.986 34.479 32.500 -0.013 0.000 1.365 50 K HN 0.306 nan 8.250 nan 0.000 0.437 51 P HA 0.013 nan 4.420 nan 0.000 0.279 51 P C 0.352 177.387 177.300 -0.442 0.000 1.239 51 P CA -0.536 61.916 63.100 -1.080 0.000 0.789 51 P CB 1.295 32.509 31.700 -0.809 0.000 0.933 52 V N -1.432 118.296 119.914 -0.309 0.000 3.276 52 V HA 0.575 4.679 4.120 -0.027 0.000 0.319 52 V C 0.493 176.557 176.094 -0.050 0.000 1.476 52 V CA 0.298 62.523 62.300 -0.126 0.000 1.097 52 V CB -0.407 31.374 31.823 -0.069 0.000 0.988 52 V HN 0.913 nan 8.190 nan 0.000 0.473 53 G N -0.379 108.392 108.800 -0.049 0.000 2.757 53 G HA2 0.363 4.307 3.960 -0.027 0.000 0.638 53 G HA3 0.363 4.307 3.960 -0.027 0.000 0.638 53 G C 0.707 175.674 174.900 0.112 0.000 1.344 53 G CA -0.061 45.046 45.100 0.011 0.000 0.855 53 G HN 2.286 nan 8.290 nan 0.000 0.537 54 G N 0.099 108.953 108.800 0.089 0.000 2.583 54 G HA2 -0.239 3.705 3.960 -0.027 0.000 0.292 54 G HA3 -0.239 3.705 3.960 -0.027 0.000 0.292 54 G C 0.961 175.877 174.900 0.027 0.000 1.203 54 G CA 1.081 46.252 45.100 0.119 0.000 0.987 54 G HN 2.120 nan 8.290 nan 0.000 0.554 55 N N 0.947 119.552 118.700 -0.159 0.000 2.268 55 N HA 0.184 4.908 4.740 -0.027 0.000 0.204 55 N C -0.533 174.744 175.510 -0.389 0.000 1.124 55 N CA 0.024 52.860 53.050 -0.357 0.000 0.838 55 N CB -0.004 38.149 38.487 -0.557 0.000 0.994 55 N HN 0.452 nan 8.380 nan 0.000 0.489 56 W N 0.042 121.385 121.300 0.072 0.000 2.551 56 W HA 0.427 5.071 4.660 -0.026 0.000 0.330 56 W C -0.457 176.113 176.519 0.085 0.000 1.063 56 W CA -0.689 56.711 57.345 0.091 0.000 1.222 56 W CB 0.771 30.194 29.460 -0.062 0.000 1.349 56 W HN -0.126 nan 8.180 nan 0.000 0.536 57 Y N 1.447 121.908 120.300 0.269 0.000 2.524 57 Y HA 0.603 5.137 4.550 -0.027 0.000 0.344 57 Y C 0.223 176.086 175.900 -0.062 0.000 1.012 57 Y CA -1.301 56.853 58.100 0.091 0.000 1.068 57 Y CB 1.970 40.473 38.460 0.073 0.000 1.249 57 Y HN 0.223 nan 8.280 nan 0.000 0.468 58 V N -0.551 119.252 119.914 -0.186 0.000 2.914 58 V HA 1.019 5.123 4.120 -0.027 0.000 0.314 58 V C -0.490 175.186 176.094 -0.697 0.000 1.084 58 V CA -0.792 61.115 62.300 -0.655 0.000 0.963 58 V CB 1.578 32.915 31.823 -0.810 0.000 1.025 58 V HN 0.877 nan 8.190 nan 0.000 0.432 59 G N 1.080 109.067 108.800 -1.356 0.000 2.530 59 G HA2 0.556 4.500 3.960 -0.027 0.000 0.316 59 G HA3 0.556 4.500 3.960 -0.027 0.000 0.316 59 G C -1.617 172.915 174.900 -0.613 0.000 1.298 59 G CA -0.310 44.115 45.100 -1.126 0.000 0.948 59 G HN 0.845 nan 8.290 nan 0.000 0.486 60 D N 1.846 122.202 120.400 -0.074 0.000 2.349 60 D HA 0.343 4.967 4.640 -0.027 0.000 0.232 60 D C -0.080 176.392 176.300 0.286 0.000 1.071 60 D CA -0.776 53.224 54.000 -0.001 0.000 0.832 60 D CB 1.107 41.906 40.800 -0.003 0.000 1.086 60 D HN 0.250 nan 8.370 nan 0.000 0.504 61 F N 1.231 121.108 119.950 -0.122 0.000 2.850 61 F HA 0.323 4.834 4.527 -0.026 0.000 0.329 61 F C 1.300 176.761 175.800 -0.565 0.000 1.182 61 F CA -0.677 57.021 58.000 -0.502 0.000 1.270 61 F CB -0.171 38.526 39.000 -0.505 0.000 0.979 61 F HN 0.050 nan 8.300 nan 0.000 0.506 62 T N 0.553 114.820 114.554 -0.479 0.000 2.737 62 T HA -0.233 4.101 4.350 -0.027 0.000 0.269 62 T C 2.205 176.758 174.700 -0.244 0.000 1.040 62 T CA 2.004 63.886 62.100 -0.363 0.000 1.142 62 T CB -0.278 68.471 68.868 -0.198 0.000 0.861 62 T HN 0.555 nan 8.240 nan 0.000 0.456 63 A N 0.610 123.323 122.820 -0.178 0.000 2.121 63 A HA 0.138 4.442 4.320 -0.027 0.000 0.218 63 A C 1.078 178.613 177.584 -0.082 0.000 1.154 63 A CA 0.300 52.315 52.037 -0.036 0.000 0.679 63 A CB -0.501 18.622 19.000 0.204 0.000 0.795 63 A HN 0.415 nan 8.150 nan 0.000 0.458 64 L N 0.793 121.836 121.223 -0.301 0.000 2.456 64 L HA 0.227 4.551 4.340 -0.027 0.000 0.277 64 L C 0.857 177.652 176.870 -0.125 0.000 1.124 64 L CA 0.177 54.888 54.840 -0.216 0.000 0.880 64 L CB 0.137 41.976 42.059 -0.367 0.000 1.192 64 L HN 0.130 nan 8.230 nan 0.000 0.463 65 R N 3.421 123.894 120.500 -0.045 0.000 2.404 65 R HA 0.272 4.595 4.340 -0.027 0.000 0.237 65 R C -0.287 176.030 176.300 0.028 0.000 0.907 65 R CA -0.017 56.075 56.100 -0.012 0.000 1.063 65 R CB -0.007 30.292 30.300 -0.003 0.000 1.134 65 R HN 0.422 nan 8.270 nan 0.000 0.529 66 V N 5.813 125.763 119.914 0.060 0.000 2.455 66 V HA 0.148 4.252 4.120 -0.027 0.000 0.273 66 V C -1.890 174.336 176.094 0.219 0.000 1.045 66 V CA -1.463 60.912 62.300 0.125 0.000 0.976 66 V CB 1.177 33.100 31.823 0.166 0.000 0.993 66 V HN 0.027 nan 8.190 nan 0.000 0.475 67 P HA 0.487 nan 4.420 nan 0.000 0.271 67 P C 0.101 177.495 177.300 0.156 0.000 1.218 67 P CA 0.407 63.594 63.100 0.146 0.000 0.780 67 P CB 1.313 33.004 31.700 -0.016 0.000 0.901 68 G N 0.359 109.245 108.800 0.144 0.000 2.341 68 G HA2 0.232 4.176 3.960 -0.027 0.000 0.293 68 G HA3 0.232 4.176 3.960 -0.027 0.000 0.293 68 G C -1.564 173.228 174.900 -0.180 0.000 1.298 68 G CA -0.641 44.380 45.100 -0.133 0.000 0.868 68 G HN 0.435 nan 8.290 nan 0.000 0.540 69 T N 1.236 115.612 114.554 -0.297 0.000 2.733 69 T HA 0.614 4.947 4.350 -0.027 0.000 0.294 69 T C -1.018 173.471 174.700 -0.351 0.000 0.956 69 T CA 0.249 62.248 62.100 -0.169 0.000 0.987 69 T CB 0.340 69.161 68.868 -0.079 0.000 0.920 69 T HN 0.356 nan 8.240 nan 0.000 0.470 70 Y N 0.956 121.261 120.300 0.008 0.000 2.446 70 Y HA 0.429 4.963 4.550 -0.027 0.000 0.338 70 Y C 1.012 176.862 175.900 -0.084 0.000 1.055 70 Y CA -1.077 57.001 58.100 -0.037 0.000 1.101 70 Y CB 1.509 39.936 38.460 -0.056 0.000 1.221 70 Y HN 0.402 nan 8.280 nan 0.000 0.460 71 T N 4.396 118.987 114.554 0.061 0.000 2.738 71 T HA 0.281 4.614 4.350 -0.027 0.000 0.298 71 T C -0.791 173.854 174.700 -0.091 0.000 0.962 71 T CA -0.444 61.634 62.100 -0.037 0.000 0.972 71 T CB 0.123 68.970 68.868 -0.035 0.000 0.928 71 T HN 0.311 nan 8.240 nan 0.000 0.474 72 L N 5.412 126.509 121.223 -0.211 0.000 2.290 72 L HA 0.566 4.890 4.340 -0.027 0.000 0.284 72 L C 0.296 177.005 176.870 -0.268 0.000 1.078 72 L CA 0.045 54.687 54.840 -0.330 0.000 0.815 72 L CB 0.556 42.266 42.059 -0.582 0.000 1.162 72 L HN 0.714 nan 8.230 nan 0.000 0.435 73 T N 2.739 117.184 114.554 -0.181 0.000 2.841 73 T HA 0.688 5.022 4.350 -0.027 0.000 0.285 73 T C -0.797 173.866 174.700 -0.063 0.000 0.991 73 T CA -0.764 61.267 62.100 -0.115 0.000 0.966 73 T CB 1.362 70.197 68.868 -0.056 0.000 0.962 73 T HN 0.593 nan 8.240 nan 0.000 0.438 74 V N 3.460 123.339 119.914 -0.059 0.000 2.733 74 V HA 0.721 4.825 4.120 -0.027 0.000 0.306 74 V C 0.853 176.972 176.094 0.040 0.000 1.084 74 V CA 0.962 63.290 62.300 0.046 0.000 0.905 74 V CB 1.022 32.896 31.823 0.085 0.000 1.010 74 V HN 1.663 nan 8.190 nan 0.000 0.424 75 G N 5.374 114.208 108.800 0.056 0.000 2.622 75 G HA2 -0.351 3.593 3.960 -0.027 0.000 0.307 75 G HA3 -0.351 3.593 3.960 -0.027 0.000 0.307 75 G C 0.876 175.782 174.900 0.011 0.000 1.226 75 G CA 1.221 46.340 45.100 0.032 0.000 0.997 75 G HN 2.048 nan 8.290 nan 0.000 0.551 76 T N -0.597 113.960 114.554 0.005 0.000 3.145 76 T HA 0.643 4.977 4.350 -0.027 0.000 0.255 76 T C 0.815 175.506 174.700 -0.015 0.000 1.039 76 T CA 0.369 62.466 62.100 -0.006 0.000 0.928 76 T CB -0.157 68.708 68.868 -0.005 0.000 1.029 76 T HN 0.581 nan 8.240 nan 0.000 0.554 77 L N 0.980 122.192 121.223 -0.018 0.000 2.344 77 L HA 0.693 5.017 4.340 -0.027 0.000 0.272 77 L C 0.027 176.854 176.870 -0.073 0.000 1.035 77 L CA -0.947 53.870 54.840 -0.037 0.000 0.807 77 L CB 1.433 43.477 42.059 -0.025 0.000 1.237 77 L HN 0.189 nan 8.230 nan 0.000 0.442 78 E N 0.913 121.059 120.200 -0.089 0.000 2.340 78 E HA 0.772 5.106 4.350 -0.027 0.000 0.273 78 E C -1.360 175.143 176.600 -0.162 0.000 0.891 78 E CA -0.837 55.487 56.400 -0.126 0.000 0.757 78 E CB 2.767 32.414 29.700 -0.088 0.000 1.231 78 E HN 0.658 nan 8.360 nan 0.000 0.439 79 A N 1.925 124.595 122.820 -0.249 0.000 2.539 79 A HA 0.732 5.036 4.320 -0.027 0.000 0.296 79 A C -1.201 176.201 177.584 -0.302 0.000 1.073 79 A CA -0.740 51.095 52.037 -0.338 0.000 0.700 79 A CB 1.725 20.313 19.000 -0.686 0.000 1.296 79 A HN 0.432 nan 8.150 nan 0.000 0.405 80 R N 0.300 120.677 120.500 -0.205 0.000 2.255 80 R HA 0.560 4.884 4.340 -0.027 0.000 0.326 80 R C -0.728 175.564 176.300 -0.014 0.000 0.986 80 R CA -0.119 55.933 56.100 -0.080 0.000 0.847 80 R CB 1.089 31.388 30.300 -0.001 0.000 1.111 80 R HN 1.125 nan 8.270 nan 0.000 0.452 81 V N 2.528 122.470 119.914 0.046 0.000 2.680 81 V HA 0.786 4.890 4.120 -0.027 0.000 0.309 81 V C -0.660 175.631 176.094 0.329 0.000 1.052 81 V CA -1.000 61.453 62.300 0.256 0.000 0.908 81 V CB 1.881 33.859 31.823 0.258 0.000 1.001 81 V HN 0.470 nan 8.190 nan 0.000 0.431 82 V N 5.460 125.607 119.914 0.388 0.000 2.513 82 V HA 0.728 4.832 4.120 -0.027 0.000 0.299 82 V C -0.552 175.785 176.094 0.405 0.000 1.035 82 V CA -0.479 62.013 62.300 0.320 0.000 0.889 82 V CB 1.294 33.226 31.823 0.182 0.000 0.988 82 V HN 0.895 nan 8.190 nan 0.000 0.440 83 I N 6.895 127.696 120.570 0.385 0.000 2.433 83 I HA 0.614 4.768 4.170 -0.027 0.000 0.292 83 I C -0.565 175.710 176.117 0.263 0.000 1.001 83 I CA -0.441 61.059 61.300 0.333 0.000 1.119 83 I CB 1.484 39.684 38.000 0.332 0.000 1.289 83 I HN 0.789 nan 8.210 nan 0.000 0.438 84 H N 4.952 124.056 119.070 0.056 0.000 3.079 84 H HA 0.283 4.823 4.556 -0.027 0.000 0.356 84 H C 0.118 175.421 175.328 -0.042 0.000 1.221 84 H CA -0.653 55.396 56.048 0.001 0.000 1.185 84 H CB 2.211 31.954 29.762 -0.031 0.000 1.882 84 H HN 0.565 nan 8.280 nan 0.000 0.543 85 R N 1.714 122.038 120.500 -0.293 0.000 2.105 85 R HA -0.021 4.303 4.340 -0.027 0.000 0.239 85 R C 0.292 176.599 176.300 0.011 0.000 1.135 85 R CA 1.624 57.647 56.100 -0.130 0.000 0.967 85 R CB 0.228 30.409 30.300 -0.199 0.000 0.861 85 R HN 0.478 nan 8.270 nan 0.000 0.442 86 R N -1.140 119.498 120.500 0.230 0.000 2.738 86 R HA 0.306 4.630 4.340 -0.027 0.000 0.280 86 R C 0.293 176.590 176.300 -0.005 0.000 1.456 86 R CA 0.264 56.412 56.100 0.079 0.000 1.612 86 R CB 1.260 31.563 30.300 0.006 0.000 1.286 86 R HN 0.158 nan 8.270 nan 0.000 0.660 87 A N 0.391 123.105 122.820 -0.176 0.000 1.986 87 A HA -0.192 4.112 4.320 -0.027 0.000 0.220 87 A C 0.801 178.138 177.584 -0.412 0.000 1.171 87 A CA 1.428 53.224 52.037 -0.401 0.000 0.640 87 A CB -0.256 18.361 19.000 -0.638 0.000 0.811 87 A HN 0.506 nan 8.150 nan 0.000 0.451 88 Y N -1.291 119.000 120.300 -0.015 0.000 2.524 88 Y HA 0.263 4.797 4.550 -0.027 0.000 0.266 88 Y C 1.912 177.780 175.900 -0.053 0.000 1.180 88 Y CA -0.483 57.586 58.100 -0.051 0.000 1.244 88 Y CB -0.412 38.058 38.460 0.015 0.000 1.125 88 Y HN 0.273 nan 8.280 nan 0.000 0.524 89 R N 0.806 121.330 120.500 0.041 0.000 2.073 89 R HA -0.164 4.160 4.340 -0.027 0.000 0.234 89 R C 0.977 177.312 176.300 0.058 0.000 1.134 89 R CA 2.110 58.238 56.100 0.046 0.000 0.952 89 R CB -0.046 30.261 30.300 0.011 0.000 0.850 89 R HN 0.279 nan 8.270 nan 0.000 0.433 90 D N -0.078 120.355 120.400 0.055 0.000 2.117 90 D HA -0.145 4.479 4.640 -0.027 0.000 0.197 90 D C 1.795 178.160 176.300 0.109 0.000 0.987 90 D CA 0.932 55.016 54.000 0.140 0.000 0.829 90 D CB -0.347 40.585 40.800 0.221 0.000 0.961 90 D HN 0.088 nan 8.370 nan 0.000 0.460 91 V N 0.620 120.435 119.914 -0.165 0.000 2.427 91 V HA -0.154 3.950 4.120 -0.027 0.000 0.248 91 V C 2.261 178.192 176.094 -0.271 0.000 1.051 91 V CA 1.028 62.896 62.300 -0.721 0.000 1.048 91 V CB -0.259 30.934 31.823 -1.050 0.000 0.666 91 V HN 0.086 nan 8.190 nan 0.000 0.456 92 L N 0.762 121.946 121.223 -0.065 0.000 2.012 92 L HA -0.207 4.117 4.340 -0.027 0.000 0.210 92 L C 2.428 179.343 176.870 0.074 0.000 1.073 92 L CA 2.817 57.676 54.840 0.032 0.000 0.748 92 L CB -0.960 41.144 42.059 0.075 0.000 0.891 92 L HN 0.583 nan 8.230 nan 0.000 0.431 93 E N -0.678 119.576 120.200 0.090 0.000 2.058 93 E HA -0.250 4.083 4.350 -0.027 0.000 0.194 93 E C 2.087 178.784 176.600 0.162 0.000 0.997 93 E CA 1.274 57.752 56.400 0.130 0.000 0.801 93 E CB -0.232 29.549 29.700 0.135 0.000 0.746 93 E HN 0.617 nan 8.360 nan 0.000 0.450 94 A N 0.772 123.692 122.820 0.166 0.000 1.902 94 A HA -0.194 4.110 4.320 -0.027 0.000 0.217 94 A C 2.205 179.893 177.584 0.174 0.000 1.181 94 A CA 1.764 53.933 52.037 0.220 0.000 0.623 94 A CB -0.542 18.666 19.000 0.347 0.000 0.818 94 A HN 0.331 nan 8.150 nan 0.000 0.443 95 M N -1.455 118.200 119.600 0.091 0.000 2.213 95 M HA -0.115 4.349 4.480 -0.027 0.000 0.263 95 M C 2.110 178.584 176.300 0.291 0.000 1.062 95 M CA 1.306 56.676 55.300 0.117 0.000 1.105 95 M CB -0.275 32.372 32.600 0.078 0.000 1.385 95 M HN 0.453 nan 8.290 nan 0.000 0.417 96 L N -0.003 121.397 121.223 0.295 0.000 2.131 96 L HA -0.042 4.282 4.340 -0.027 0.000 0.206 96 L C 2.312 179.406 176.870 0.374 0.000 1.087 96 L CA 1.653 56.719 54.840 0.377 0.000 0.767 96 L CB -0.351 41.838 42.059 0.216 0.000 0.917 96 L HN 0.094 nan 8.230 nan 0.000 0.441 97 R N -1.500 119.168 120.500 0.280 0.000 2.152 97 R HA -0.189 4.135 4.340 -0.027 0.000 0.232 97 R C 2.137 178.619 176.300 0.303 0.000 1.117 97 R CA 1.431 57.678 56.100 0.245 0.000 0.981 97 R CB -0.598 29.842 30.300 0.234 0.000 0.870 97 R HN 0.347 nan 8.270 nan 0.000 0.451 98 F N 1.065 121.097 119.950 0.136 0.000 2.115 98 F HA -0.269 4.242 4.527 -0.027 0.000 0.300 98 F C 1.473 177.165 175.800 -0.180 0.000 1.092 98 F CA 1.427 59.403 58.000 -0.040 0.000 1.245 98 F CB -0.446 38.365 39.000 -0.315 0.000 0.995 98 F HN -0.127 nan 8.300 nan 0.000 0.481 99 F N 0.856 120.547 119.950 -0.432 0.000 2.126 99 F HA -0.208 4.303 4.527 -0.026 0.000 0.299 99 F C 2.406 177.905 175.800 -0.502 0.000 1.096 99 F CA 1.761 59.222 58.000 -0.897 0.000 1.255 99 F CB -0.978 37.454 39.000 -0.947 0.000 0.997 99 F HN -0.044 nan 8.300 nan 0.000 0.479 100 D N -1.065 119.356 120.400 0.035 0.000 2.144 100 D HA -0.182 4.442 4.640 -0.027 0.000 0.200 100 D C 2.080 178.362 176.300 -0.030 0.000 0.978 100 D CA 1.230 55.273 54.000 0.071 0.000 0.833 100 D CB -0.619 40.225 40.800 0.074 0.000 0.961 100 D HN 0.241 nan 8.370 nan 0.000 0.470 101 Y N 1.107 121.386 120.300 -0.034 0.000 2.315 101 Y HA -0.123 4.411 4.550 -0.027 0.000 0.288 101 Y C 2.219 178.128 175.900 0.015 0.000 1.154 101 Y CA 0.967 59.073 58.100 0.009 0.000 1.229 101 Y CB -0.037 38.428 38.460 0.010 0.000 0.980 101 Y HN -0.003 nan 8.280 nan 0.000 0.540 102 Q N -0.007 119.763 119.800 -0.050 0.000 2.403 102 Q HA 0.091 4.415 4.340 -0.027 0.000 0.203 102 Q C 0.278 176.260 176.000 -0.031 0.000 0.932 102 Q CA 0.169 55.944 55.803 -0.047 0.000 0.945 102 Q CB -0.107 28.383 28.738 -0.413 0.000 1.045 102 Q HN 0.429 nan 8.270 nan 0.000 0.511 103 L N 0.491 121.751 121.223 0.062 0.000 2.525 103 L HA -0.042 4.282 4.340 -0.027 0.000 0.278 103 L C 0.299 177.067 176.870 -0.170 0.000 1.218 103 L CA -0.051 54.816 54.840 0.044 0.000 0.878 103 L CB 0.346 42.448 42.059 0.072 0.000 1.127 103 L HN 0.092 nan 8.230 nan 0.000 0.492 104 C N 3.080 122.219 119.300 -0.268 0.000 2.382 104 C HA 0.693 5.137 4.460 -0.027 0.000 0.327 104 C C 1.169 176.126 174.990 -0.056 0.000 1.250 104 C CA 0.239 59.111 59.018 -0.244 0.000 1.707 104 C CB 0.194 27.704 27.740 -0.383 0.000 2.272 104 C HN 1.076 nan 8.230 nan 0.000 0.506 105 G N 3.688 112.517 108.800 0.048 0.000 2.153 105 G HA2 -0.093 3.851 3.960 -0.027 0.000 0.252 105 G HA3 -0.093 3.851 3.960 -0.027 0.000 0.252 105 G C -0.138 174.769 174.900 0.012 0.000 0.994 105 G CA 0.759 45.880 45.100 0.035 0.000 0.698 105 G HN 2.145 nan 8.290 nan 0.000 0.521 106 V N -2.585 117.333 119.914 0.007 0.000 2.709 106 V HA 0.819 4.923 4.120 -0.027 0.000 0.308 106 V C 0.404 176.461 176.094 -0.062 0.000 1.062 106 V CA -1.049 61.233 62.300 -0.029 0.000 0.901 106 V CB 2.239 34.032 31.823 -0.050 0.000 1.003 106 V HN 0.703 nan 8.190 nan 0.000 0.425 107 V N 5.981 125.854 119.914 -0.068 0.000 2.529 107 V HA 0.196 4.300 4.120 -0.027 0.000 0.292 107 V C 0.392 176.389 176.094 -0.162 0.000 1.028 107 V CA 0.147 62.386 62.300 -0.101 0.000 1.074 107 V CB 0.557 32.344 31.823 -0.060 0.000 0.958 107 V HN 0.747 nan 8.190 nan 0.000 0.481 108 L N 8.434 129.500 121.223 -0.262 0.000 2.277 108 L HA 0.423 4.747 4.340 -0.027 0.000 0.284 108 L C -2.116 174.674 176.870 -0.133 0.000 1.028 108 L CA -1.647 53.053 54.840 -0.234 0.000 0.835 108 L CB 1.703 43.560 42.059 -0.336 0.000 1.215 108 L HN 0.456 nan 8.230 nan 0.000 0.425 109 P HA 0.062 nan 4.420 nan 0.000 0.277 109 P C 0.269 177.560 177.300 -0.014 0.000 1.240 109 P CA -0.376 62.698 63.100 -0.042 0.000 0.798 109 P CB 1.433 33.110 31.700 -0.038 0.000 0.979 110 E N 1.223 121.425 120.200 0.003 0.000 2.153 110 E HA -0.237 4.097 4.350 -0.027 0.000 0.194 110 E C 1.000 177.614 176.600 0.023 0.000 0.988 110 E CA 1.540 57.952 56.400 0.020 0.000 0.811 110 E CB -0.119 29.585 29.700 0.007 0.000 0.746 110 E HN 0.471 nan 8.360 nan 0.000 0.466 111 D N -0.004 120.402 120.400 0.010 0.000 2.310 111 D HA -0.181 4.443 4.640 -0.027 0.000 0.212 111 D C 1.396 177.706 176.300 0.016 0.000 0.965 111 D CA 0.887 54.895 54.000 0.013 0.000 0.879 111 D CB -0.117 40.687 40.800 0.005 0.000 0.921 111 D HN 0.224 nan 8.370 nan 0.000 0.510 112 E N -0.114 120.087 120.200 0.002 0.000 2.206 112 E HA 0.233 4.567 4.350 -0.027 0.000 0.195 112 E C 1.634 178.234 176.600 -0.001 0.000 0.935 112 E CA 0.887 57.278 56.400 -0.016 0.000 0.875 112 E CB 0.192 29.851 29.700 -0.067 0.000 0.841 112 E HN 0.386 nan 8.360 nan 0.000 0.477 113 A N 0.713 123.556 122.820 0.039 0.000 2.390 113 A HA 0.464 4.768 4.320 -0.027 0.000 0.232 113 A C 1.322 179.160 177.584 0.424 0.000 1.233 113 A CA 0.855 52.999 52.037 0.179 0.000 0.907 113 A CB -0.014 19.064 19.000 0.131 0.000 0.967 113 A HN 0.220 nan 8.150 nan 0.000 0.512 114 G N 0.673 109.602 108.800 0.215 0.000 2.634 114 G HA2 -0.336 3.608 3.960 -0.027 0.000 0.309 114 G HA3 -0.336 3.608 3.960 -0.027 0.000 0.309 114 G C -0.851 174.035 174.900 -0.023 0.000 1.265 114 G CA 0.565 45.728 45.100 0.104 0.000 0.998 114 G HN 0.266 nan 8.290 nan 0.000 0.551 115 P HA -0.043 nan 4.420 nan 0.000 0.218 115 P C 1.229 178.256 177.300 -0.455 0.000 1.146 115 P CA 2.140 64.885 63.100 -0.592 0.000 0.813 115 P CB -0.060 30.914 31.700 -1.210 0.000 0.778 116 W N -0.813 120.606 121.300 0.198 0.000 3.353 116 W HA 0.473 5.117 4.660 -0.026 0.000 0.304 116 W C 0.567 177.266 176.519 0.301 0.000 1.273 116 W CA -0.723 56.781 57.345 0.265 0.000 1.773 116 W CB -0.762 28.884 29.460 0.310 0.000 1.095 116 W HN -0.121 nan 8.180 nan 0.000 0.676 117 A N 1.981 124.987 122.820 0.310 0.000 2.561 117 A HA 0.206 4.510 4.320 -0.027 0.000 0.234 117 A C -0.097 177.605 177.584 0.198 0.000 1.055 117 A CA 1.012 53.148 52.037 0.165 0.000 0.756 117 A CB -0.412 18.634 19.000 0.076 0.000 0.986 117 A HN 0.559 nan 8.150 nan 0.000 0.505 118 H N -1.342 117.788 119.070 0.101 0.000 3.003 118 H HA 0.641 5.181 4.556 -0.027 0.000 0.327 118 H C -0.023 175.326 175.328 0.035 0.000 1.353 118 H CA -0.333 55.754 56.048 0.065 0.000 1.142 118 H CB 0.346 30.156 29.762 0.081 0.000 1.864 118 H HN 0.834 nan 8.280 nan 0.000 0.529 119 G N -0.086 108.822 108.800 0.180 0.000 2.599 119 G HA2 0.478 4.422 3.960 -0.027 0.000 0.264 119 G HA3 0.478 4.422 3.960 -0.027 0.000 0.264 119 G C -0.107 174.897 174.900 0.173 0.000 1.200 119 G CA -0.492 44.667 45.100 0.099 0.000 0.896 119 G HN 0.977 nan 8.290 nan 0.000 0.536 120 A N -0.787 122.077 122.820 0.074 0.000 2.548 120 A HA 0.400 4.704 4.320 -0.027 0.000 0.247 120 A C 0.949 178.567 177.584 0.056 0.000 1.067 120 A CA 0.343 52.423 52.037 0.072 0.000 0.757 120 A CB -1.003 18.012 19.000 0.025 0.000 0.996 120 A HN 1.536 nan 8.150 nan 0.000 0.504 121 C N 0.778 120.120 119.300 0.070 0.000 2.399 121 C HA 0.797 5.241 4.460 -0.027 0.000 0.348 121 C C 0.423 175.401 174.990 -0.020 0.000 1.183 121 C CA -0.677 58.287 59.018 -0.091 0.000 2.023 121 C CB -0.052 27.581 27.740 -0.179 0.000 2.361 121 C HN 1.083 nan 8.230 nan 0.000 0.521 122 H N -0.114 118.934 119.070 -0.037 0.000 2.692 122 H HA -0.156 4.384 4.556 -0.027 0.000 0.316 122 H C 1.221 176.539 175.328 -0.016 0.000 1.176 122 H CA 0.911 56.942 56.048 -0.027 0.000 1.142 122 H CB -1.888 27.865 29.762 -0.014 0.000 1.475 122 H HN 1.031 nan 8.280 nan 0.000 0.423 123 T N -3.549 111.026 114.554 0.036 0.000 3.113 123 T HA 0.034 4.368 4.350 -0.027 0.000 0.256 123 T C 1.255 175.969 174.700 0.023 0.000 1.131 123 T CA 0.188 62.304 62.100 0.027 0.000 1.074 123 T CB 0.200 69.072 68.868 0.006 0.000 0.944 123 T HN 0.540 nan 8.240 nan 0.000 0.516 124 S N 1.410 117.125 115.700 0.024 0.000 2.600 124 S HA 0.276 4.730 4.470 -0.027 0.000 0.265 124 S C -0.436 174.174 174.600 0.016 0.000 1.325 124 S CA -0.899 57.310 58.200 0.015 0.000 1.002 124 S CB 0.426 63.633 63.200 0.012 0.000 0.921 124 S HN 0.222 nan 8.310 nan 0.000 0.554 125 D N 1.162 121.564 120.400 0.003 0.000 2.372 125 D HA 0.487 5.111 4.640 -0.027 0.000 0.243 125 D C 0.105 176.397 176.300 -0.014 0.000 1.121 125 D CA 0.230 54.226 54.000 -0.007 0.000 0.898 125 D CB 0.953 41.745 40.800 -0.015 0.000 1.202 125 D HN 0.814 nan 8.370 nan 0.000 0.428 126 A N 2.337 125.139 122.820 -0.030 0.000 2.301 126 A HA 0.324 4.628 4.320 -0.027 0.000 0.312 126 A C 0.231 177.772 177.584 -0.071 0.000 1.182 126 A CA -0.573 51.436 52.037 -0.047 0.000 0.826 126 A CB 0.554 19.516 19.000 -0.063 0.000 1.134 126 A HN 0.393 nan 8.150 nan 0.000 0.501 127 K N 1.419 121.785 120.400 -0.056 0.000 2.205 127 K HA 0.418 4.722 4.320 -0.027 0.000 0.279 127 K C -0.642 175.911 176.600 -0.078 0.000 1.027 127 K CA -0.398 55.852 56.287 -0.062 0.000 0.932 127 K CB 1.353 33.827 32.500 -0.044 0.000 1.032 127 K HN 0.481 nan 8.250 nan 0.000 0.466 128 V N 5.033 124.886 119.914 -0.102 0.000 2.521 128 V HA -0.015 4.089 4.120 -0.027 0.000 0.286 128 V C 0.259 176.368 176.094 0.024 0.000 1.034 128 V CA -0.211 62.031 62.300 -0.097 0.000 1.045 128 V CB -0.221 31.551 31.823 -0.086 0.000 0.974 128 V HN 0.570 nan 8.190 nan 0.000 0.480 129 F N 4.603 124.537 119.950 -0.025 0.000 2.629 129 F HA 0.404 4.915 4.527 -0.027 0.000 0.377 129 F C 1.355 177.174 175.800 0.032 0.000 1.101 129 F CA 1.273 59.283 58.000 0.017 0.000 1.301 129 F CB 0.400 39.433 39.000 0.055 0.000 1.062 129 F HN 0.841 nan 8.300 nan 0.000 0.583 130 G N 3.146 111.491 108.800 -0.760 0.000 2.179 130 G HA2 -0.194 3.750 3.960 -0.027 0.000 0.257 130 G HA3 -0.194 3.750 3.960 -0.027 0.000 0.257 130 G C 0.025 174.822 174.900 -0.171 0.000 1.010 130 G CA 0.589 45.419 45.100 -0.450 0.000 0.736 130 G HN 1.409 nan 8.290 nan 0.000 0.513 131 T N -4.630 109.839 114.554 -0.142 0.000 2.787 131 T HA 0.676 5.010 4.350 -0.027 0.000 0.297 131 T C 0.118 174.774 174.700 -0.073 0.000 1.221 131 T CA 0.204 62.262 62.100 -0.070 0.000 1.006 131 T CB 2.087 70.945 68.868 -0.017 0.000 1.328 131 T HN 0.045 nan 8.240 nan 0.000 0.509 132 E N -0.320 119.851 120.200 -0.048 0.000 2.476 132 E HA 0.272 4.605 4.350 -0.027 0.000 0.196 132 E C 0.266 176.846 176.600 -0.033 0.000 1.029 132 E CA -0.278 56.096 56.400 -0.043 0.000 0.896 132 E CB 0.179 29.859 29.700 -0.035 0.000 1.012 132 E HN 0.441 nan 8.360 nan 0.000 0.475 133 R N 0.190 120.673 120.500 -0.029 0.000 2.490 133 R HA 0.532 4.856 4.340 -0.027 0.000 0.280 133 R C -0.410 175.865 176.300 -0.041 0.000 1.077 133 R CA 0.077 56.162 56.100 -0.025 0.000 1.065 133 R CB 1.331 31.625 30.300 -0.010 0.000 1.003 133 R HN 0.029 nan 8.270 nan 0.000 0.470 134 A N 3.324 126.121 122.820 -0.038 0.000 2.350 134 A HA 0.649 4.953 4.320 -0.027 0.000 0.324 134 A C -1.209 176.344 177.584 -0.050 0.000 1.118 134 A CA -0.668 51.340 52.037 -0.047 0.000 0.783 134 A CB 1.084 20.064 19.000 -0.033 0.000 1.236 134 A HN 0.416 nan 8.150 nan 0.000 0.457 135 L N 1.124 122.305 121.223 -0.070 0.000 2.386 135 L HA 0.686 5.010 4.340 -0.027 0.000 0.271 135 L C 0.443 177.287 176.870 -0.044 0.000 0.993 135 L CA -0.198 54.604 54.840 -0.064 0.000 0.819 135 L CB 1.889 43.883 42.059 -0.110 0.000 1.294 135 L HN 0.835 nan 8.230 nan 0.000 0.414 136 A N 1.577 124.383 122.820 -0.023 0.000 2.347 136 A HA 0.472 4.776 4.320 -0.027 0.000 0.287 136 A C -0.078 177.514 177.584 0.014 0.000 1.199 136 A CA -0.167 51.869 52.037 -0.001 0.000 0.851 136 A CB -0.165 18.837 19.000 0.002 0.000 1.118 136 A HN 0.802 nan 8.150 nan 0.000 0.525 137 C N 5.395 124.726 119.300 0.052 0.000 3.163 137 C HA 0.361 4.805 4.460 -0.027 0.000 0.228 137 C C -2.117 173.017 174.990 0.240 0.000 1.593 137 C CA -1.072 58.030 59.018 0.140 0.000 1.489 137 C CB -0.525 27.312 27.740 0.162 0.000 2.294 137 C HN 0.754 nan 8.230 nan 0.000 0.508 138 P HA 0.528 nan 4.420 nan 0.000 0.276 138 P C 0.436 177.808 177.300 0.119 0.000 1.244 138 P CA 1.086 64.246 63.100 0.099 0.000 0.801 138 P CB 1.210 32.944 31.700 0.055 0.000 1.006 139 G N -0.458 108.329 108.800 -0.021 0.000 2.627 139 G HA2 0.347 4.291 3.960 -0.027 0.000 0.214 139 G HA3 0.347 4.291 3.960 -0.027 0.000 0.214 139 G C 0.048 174.781 174.900 -0.278 0.000 1.331 139 G CA 0.163 45.220 45.100 -0.071 0.000 0.891 139 G HN 1.083 nan 8.290 nan 0.000 0.539 140 G N -1.992 106.653 108.800 -0.258 0.000 2.598 140 G HA2 0.112 4.056 3.960 -0.027 0.000 0.244 140 G HA3 0.112 4.056 3.960 -0.027 0.000 0.244 140 G C -0.109 174.510 174.900 -0.469 0.000 1.302 140 G CA 0.737 45.512 45.100 -0.541 0.000 0.903 140 G HN 1.872 nan 8.290 nan 0.000 0.575 141 W N 0.665 121.738 121.300 -0.378 0.000 2.632 141 W HA 0.574 5.218 4.660 -0.027 0.000 0.328 141 W C 0.510 176.845 176.519 -0.305 0.000 1.044 141 W CA -1.250 55.918 57.345 -0.295 0.000 1.225 141 W CB 0.230 29.627 29.460 -0.105 0.000 1.396 141 W HN 0.696 nan 8.180 nan 0.000 0.499 142 H N 1.186 120.318 119.070 0.103 0.000 3.034 142 H HA -0.098 4.442 4.556 -0.027 0.000 0.324 142 H C 1.025 176.423 175.328 0.116 0.000 1.015 142 H CA 0.557 56.662 56.048 0.095 0.000 1.429 142 H CB 1.326 31.224 29.762 0.227 0.000 1.429 142 H HN 0.394 nan 8.280 nan 0.000 0.585 143 D N 2.353 122.919 120.400 0.276 0.000 2.144 143 D HA -0.038 4.586 4.640 -0.027 0.000 0.200 143 D C 0.786 177.171 176.300 0.141 0.000 0.978 143 D CA 1.494 55.645 54.000 0.252 0.000 0.833 143 D CB 0.404 41.456 40.800 0.421 0.000 0.961 143 D HN 0.625 nan 8.370 nan 0.000 0.470 144 A N -1.656 121.263 122.820 0.165 0.000 4.616 144 A HA 0.559 4.863 4.320 -0.027 0.000 0.148 144 A C 1.381 179.086 177.584 0.201 0.000 0.866 144 A CA 0.039 52.138 52.037 0.103 0.000 1.392 144 A CB -0.328 18.677 19.000 0.008 0.000 2.279 144 A HN 0.051 nan 8.150 nan 0.000 1.006 145 G N 0.494 109.393 108.800 0.164 0.000 2.650 145 G HA2 0.232 4.176 3.960 -0.027 0.000 0.214 145 G HA3 0.232 4.176 3.960 -0.027 0.000 0.214 145 G C 0.383 175.157 174.900 -0.210 0.000 1.136 145 G CA 1.374 46.535 45.100 0.102 0.000 0.789 145 G HN 0.860 nan 8.290 nan 0.000 0.536 146 D N -1.115 119.194 120.400 -0.152 0.000 2.564 146 D HA 0.223 4.847 4.640 -0.027 0.000 0.273 146 D C -0.144 175.942 176.300 -0.357 0.000 1.192 146 D CA -0.830 53.002 54.000 -0.279 0.000 1.080 146 D CB 0.582 41.480 40.800 0.164 0.000 1.160 146 D HN 0.062 nan 8.370 nan 0.000 0.607 147 Y N -1.137 119.156 120.300 -0.012 0.000 2.557 147 Y HA 0.358 4.892 4.550 -0.027 0.000 0.247 147 Y C 1.327 177.116 175.900 -0.185 0.000 1.164 147 Y CA -0.687 57.254 58.100 -0.265 0.000 1.218 147 Y CB 0.425 38.618 38.460 -0.444 0.000 1.210 147 Y HN 0.453 nan 8.280 nan 0.000 0.529 148 G N 1.286 110.121 108.800 0.059 0.000 2.544 148 G HA2 0.339 4.283 3.960 -0.027 0.000 0.242 148 G HA3 0.339 4.283 3.960 -0.027 0.000 0.242 148 G C -0.295 174.411 174.900 -0.324 0.000 1.247 148 G CA -0.542 44.407 45.100 -0.252 0.000 0.840 148 G HN 0.154 nan 8.290 nan 0.000 0.578 149 K N 1.133 121.178 120.400 -0.592 0.000 2.450 149 K HA 0.310 4.614 4.320 -0.027 0.000 0.257 149 K C -1.721 174.661 176.600 -0.363 0.000 0.953 149 K CA -0.455 55.531 56.287 -0.502 0.000 0.844 149 K CB 2.012 33.971 32.500 -0.902 0.000 1.103 149 K HN 0.508 nan 8.250 nan 0.000 0.429 150 Y N 0.652 120.924 120.300 -0.047 0.000 2.350 150 Y HA 0.156 4.689 4.550 -0.027 0.000 0.338 150 Y C 1.504 177.323 175.900 -0.135 0.000 0.961 150 Y CA -0.831 57.170 58.100 -0.164 0.000 1.100 150 Y CB 1.951 40.126 38.460 -0.476 0.000 1.179 150 Y HN 0.548 nan 8.280 nan 0.000 0.454 151 T N 0.867 115.386 114.554 -0.059 0.000 2.708 151 T HA -0.158 4.175 4.350 -0.027 0.000 0.266 151 T C 1.979 176.580 174.700 -0.164 0.000 1.037 151 T CA 1.685 63.716 62.100 -0.116 0.000 1.146 151 T CB -0.126 68.583 68.868 -0.265 0.000 0.865 151 T HN 0.506 nan 8.240 nan 0.000 0.435 152 V N 2.835 122.558 119.914 -0.318 0.000 2.233 152 V HA -0.132 3.972 4.120 -0.027 0.000 0.247 152 V C -0.224 175.758 176.094 -0.188 0.000 1.050 152 V CA 1.894 64.069 62.300 -0.209 0.000 1.010 152 V CB -1.617 30.098 31.823 -0.180 0.000 0.637 152 V HN 0.414 nan 8.190 nan 0.000 0.444 153 P HA -0.122 nan 4.420 nan 0.000 0.218 153 P C 1.584 178.864 177.300 -0.034 0.000 1.149 153 P CA 1.987 64.805 63.100 -0.469 0.000 0.817 153 P CB -0.089 30.951 31.700 -1.100 0.000 0.785 154 A N 0.960 123.803 122.820 0.038 0.000 1.908 154 A HA -0.134 4.170 4.320 -0.027 0.000 0.218 154 A C 2.517 180.204 177.584 0.172 0.000 1.181 154 A CA 2.363 54.530 52.037 0.217 0.000 0.627 154 A CB -1.569 17.619 19.000 0.314 0.000 0.818 154 A HN 0.240 nan 8.150 nan 0.000 0.445 155 A N -0.032 122.840 122.820 0.085 0.000 1.908 155 A HA -0.205 4.099 4.320 -0.027 0.000 0.218 155 A C 2.129 179.817 177.584 0.173 0.000 1.181 155 A CA 2.190 54.270 52.037 0.071 0.000 0.627 155 A CB -0.487 18.522 19.000 0.015 0.000 0.818 155 A HN 0.635 nan 8.150 nan 0.000 0.445 156 K N -0.262 120.250 120.400 0.187 0.000 2.026 156 K HA -0.064 4.240 4.320 -0.027 0.000 0.208 156 K C 2.122 178.850 176.600 0.213 0.000 1.048 156 K CA 1.424 57.796 56.287 0.142 0.000 0.929 156 K CB -0.408 32.232 32.500 0.233 0.000 0.713 156 K HN 0.310 nan 8.250 nan 0.000 0.439 157 A N 0.770 123.786 122.820 0.327 0.000 1.902 157 A HA -0.094 4.209 4.320 -0.027 0.000 0.217 157 A C 2.275 180.048 177.584 0.316 0.000 1.181 157 A CA 1.667 53.956 52.037 0.421 0.000 0.623 157 A CB -0.669 18.713 19.000 0.638 0.000 0.818 157 A HN 0.194 nan 8.150 nan 0.000 0.443 158 V N -0.169 119.902 119.914 0.262 0.000 2.295 158 V HA -0.247 3.857 4.120 -0.027 0.000 0.246 158 V C 3.081 179.193 176.094 0.029 0.000 1.049 158 V CA 1.959 64.335 62.300 0.127 0.000 1.024 158 V CB -1.240 30.596 31.823 0.021 0.000 0.648 158 V HN 0.619 nan 8.190 nan 0.000 0.447 159 A N -0.115 122.714 122.820 0.016 0.000 1.908 159 A HA -0.277 4.027 4.320 -0.027 0.000 0.218 159 A C 1.979 179.576 177.584 0.021 0.000 1.181 159 A CA 2.198 54.203 52.037 -0.053 0.000 0.627 159 A CB -0.655 18.286 19.000 -0.099 0.000 0.818 159 A HN 0.558 nan 8.150 nan 0.000 0.445 160 D N -0.021 120.447 120.400 0.113 0.000 2.117 160 D HA -0.089 4.535 4.640 -0.027 0.000 0.198 160 D C 1.976 178.390 176.300 0.191 0.000 0.982 160 D CA 0.977 55.080 54.000 0.171 0.000 0.828 160 D CB -0.348 40.586 40.800 0.223 0.000 0.967 160 D HN 0.452 nan 8.370 nan 0.000 0.464 161 L N 0.285 121.579 121.223 0.118 0.000 2.056 161 L HA -0.112 4.212 4.340 -0.027 0.000 0.207 161 L C 2.528 179.454 176.870 0.094 0.000 1.078 161 L CA 0.615 55.500 54.840 0.075 0.000 0.749 161 L CB -0.337 41.690 42.059 -0.054 0.000 0.901 161 L HN 0.057 nan 8.230 nan 0.000 0.433 162 L N -0.559 120.676 121.223 0.020 0.000 2.046 162 L HA -0.229 4.095 4.340 -0.027 0.000 0.208 162 L C 2.541 179.492 176.870 0.135 0.000 1.077 162 L CA 1.193 56.019 54.840 -0.023 0.000 0.747 162 L CB -0.501 41.374 42.059 -0.308 0.000 0.896 162 L HN 0.272 nan 8.230 nan 0.000 0.432 163 L N -0.208 121.126 121.223 0.185 0.000 2.083 163 L HA -0.199 4.125 4.340 -0.027 0.000 0.209 163 L C 2.904 180.067 176.870 0.489 0.000 1.083 163 L CA 1.150 56.216 54.840 0.376 0.000 0.752 163 L CB -0.695 41.513 42.059 0.248 0.000 0.899 163 L HN 0.242 nan 8.230 nan 0.000 0.433 164 A N -0.543 122.578 122.820 0.502 0.000 1.902 164 A HA -0.311 3.993 4.320 -0.027 0.000 0.217 164 A C 2.113 179.818 177.584 0.201 0.000 1.181 164 A CA 2.030 54.287 52.037 0.366 0.000 0.623 164 A CB -0.854 18.362 19.000 0.361 0.000 0.818 164 A HN 0.533 nan 8.150 nan 0.000 0.443 165 H N -0.032 119.104 119.070 0.111 0.000 2.352 165 H HA -0.101 4.439 4.556 -0.027 0.000 0.299 165 H C 1.951 177.303 175.328 0.040 0.000 1.097 165 H CA 2.126 58.194 56.048 0.033 0.000 1.311 165 H CB -0.093 29.631 29.762 -0.064 0.000 1.377 165 H HN 0.619 nan 8.280 nan 0.000 0.504 166 E N -0.982 119.267 120.200 0.081 0.000 2.072 166 E HA -0.189 4.145 4.350 -0.027 0.000 0.191 166 E C 1.803 178.323 176.600 -0.133 0.000 0.985 166 E CA 1.272 57.690 56.400 0.030 0.000 0.801 166 E CB -0.115 29.720 29.700 0.224 0.000 0.750 166 E HN 0.622 nan 8.360 nan 0.000 0.452 167 Y N -1.088 118.997 120.300 -0.360 0.000 2.269 167 Y HA -0.029 4.505 4.550 -0.028 0.000 0.294 167 Y C 0.778 176.102 175.900 -0.960 0.000 1.120 167 Y CA 0.416 58.021 58.100 -0.825 0.000 1.159 167 Y CB 0.528 38.146 38.460 -1.403 0.000 1.024 167 Y HN -0.063 nan 8.280 nan 0.000 0.532 168 F N -0.451 119.507 119.950 0.014 0.000 2.623 168 F HA 0.347 4.859 4.527 -0.025 0.000 0.361 168 F C -2.046 173.717 175.800 -0.062 0.000 1.469 168 F CA -2.927 55.050 58.000 -0.040 0.000 1.126 168 F CB 0.199 39.149 39.000 -0.082 0.000 1.221 168 F HN -0.118 nan 8.300 nan 0.000 0.536 169 P HA -0.153 nan 4.420 nan 0.000 0.218 169 P C 1.587 178.892 177.300 0.009 0.000 1.149 169 P CA 1.512 64.544 63.100 -0.112 0.000 0.817 169 P CB 0.381 31.910 31.700 -0.284 0.000 0.785 170 A N 0.763 123.614 122.820 0.051 0.000 1.902 170 A HA -0.041 4.262 4.320 -0.027 0.000 0.217 170 A C 2.513 180.186 177.584 0.148 0.000 1.181 170 A CA 2.136 54.216 52.037 0.072 0.000 0.623 170 A CB -1.547 17.511 19.000 0.097 0.000 0.818 170 A HN 0.220 nan 8.150 nan 0.000 0.443 171 A N -0.265 122.668 122.820 0.188 0.000 1.883 171 A HA -0.077 4.227 4.320 -0.027 0.000 0.217 171 A C 2.158 179.858 177.584 0.194 0.000 1.186 171 A CA 1.593 53.757 52.037 0.213 0.000 0.624 171 A CB -0.649 18.427 19.000 0.128 0.000 0.822 171 A HN 0.467 nan 8.150 nan 0.000 0.444 172 L N -0.772 120.536 121.223 0.142 0.000 2.201 172 L HA -0.143 4.180 4.340 -0.027 0.000 0.212 172 L C 2.978 179.899 176.870 0.085 0.000 1.105 172 L CA 0.759 55.671 54.840 0.120 0.000 0.775 172 L CB -0.414 41.719 42.059 0.122 0.000 0.913 172 L HN 0.437 nan 8.230 nan 0.000 0.440 173 A N -1.037 121.804 122.820 0.034 0.000 2.024 173 A HA -0.223 4.081 4.320 -0.027 0.000 0.220 173 A C 1.895 179.419 177.584 -0.100 0.000 1.164 173 A CA 1.333 53.336 52.037 -0.057 0.000 0.643 173 A CB -0.678 18.240 19.000 -0.137 0.000 0.806 173 A HN 0.456 nan 8.150 nan 0.000 0.451 174 H N -1.016 118.090 119.070 0.059 0.000 2.547 174 H HA 0.203 4.743 4.556 -0.027 0.000 0.266 174 H C 0.486 175.849 175.328 0.059 0.000 0.988 174 H CA 0.964 57.047 56.048 0.057 0.000 1.147 174 H CB -0.314 29.483 29.762 0.060 0.000 1.365 174 H HN 0.447 nan 8.280 nan 0.000 0.589 175 V N -1.395 118.606 119.914 0.145 0.000 2.919 175 V HA 0.579 4.683 4.120 -0.027 0.000 0.316 175 V C -0.045 176.099 176.094 0.085 0.000 1.077 175 V CA -1.272 61.099 62.300 0.119 0.000 0.977 175 V CB 3.178 35.074 31.823 0.122 0.000 1.039 175 V HN 0.052 nan 8.190 nan 0.000 0.441 176 R N 3.459 124.009 120.500 0.084 0.000 2.451 176 R HA 0.607 4.931 4.340 -0.027 0.000 0.307 176 R C -2.744 173.604 176.300 0.081 0.000 0.965 176 R CA -1.744 54.394 56.100 0.063 0.000 0.865 176 R CB 2.581 32.911 30.300 0.049 0.000 1.174 176 R HN 0.762 nan 8.270 nan 0.000 0.455 177 P HA 0.130 nan 4.420 nan 0.000 0.318 177 P C -0.161 177.205 177.300 0.110 0.000 1.309 177 P CA -0.354 62.818 63.100 0.121 0.000 0.736 177 P CB 0.642 32.425 31.700 0.139 0.000 1.440 178 M N 0.299 119.977 119.600 0.130 0.000 3.442 178 M HA 0.131 4.595 4.480 -0.027 0.000 0.232 178 M C 1.786 178.144 176.300 0.096 0.000 1.508 178 M CA 0.095 55.417 55.300 0.037 0.000 1.647 178 M CB -0.420 32.129 32.600 -0.084 0.000 1.126 178 M HN 0.296 nan 8.290 nan 0.000 0.557 179 R N 0.970 121.528 120.500 0.096 0.000 2.103 179 R HA -0.170 4.154 4.340 -0.027 0.000 0.242 179 R C 2.077 178.437 176.300 0.100 0.000 1.142 179 R CA 2.314 58.463 56.100 0.082 0.000 0.960 179 R CB -0.004 30.207 30.300 -0.148 0.000 0.858 179 R HN 0.646 nan 8.270 nan 0.000 0.439 180 S N -0.170 115.544 115.700 0.024 0.000 2.515 180 S HA -0.066 4.388 4.470 -0.027 0.000 0.231 180 S C 1.854 176.460 174.600 0.010 0.000 0.987 180 S CA 0.793 59.020 58.200 0.045 0.000 0.936 180 S CB 0.031 63.236 63.200 0.009 0.000 0.766 180 S HN 0.353 nan 8.310 nan 0.000 0.528 181 V N -1.576 118.274 119.914 -0.107 0.000 3.541 181 V HA 0.283 4.387 4.120 -0.027 0.000 0.267 181 V C 0.477 176.398 176.094 -0.289 0.000 1.213 181 V CA -0.173 61.987 62.300 -0.233 0.000 1.149 181 V CB -0.959 30.660 31.823 -0.339 0.000 0.822 181 V HN 0.502 nan 8.190 nan 0.000 0.462 182 H N 2.267 121.407 119.070 0.117 0.000 2.525 182 H HA 0.546 5.086 4.556 -0.027 0.000 0.340 182 H C 0.270 175.628 175.328 0.051 0.000 1.168 182 H CA -0.620 55.490 56.048 0.104 0.000 1.247 182 H CB 1.230 31.083 29.762 0.151 0.000 1.568 182 H HN 0.421 nan 8.280 nan 0.000 0.536 183 R N 0.720 121.268 120.500 0.080 0.000 2.641 183 R HA 0.556 4.879 4.340 -0.027 0.000 0.269 183 R C -0.359 175.732 176.300 -0.348 0.000 1.074 183 R CA -0.617 55.435 56.100 -0.079 0.000 1.133 183 R CB 0.472 30.747 30.300 -0.042 0.000 1.029 183 R HN 0.510 nan 8.270 nan 0.000 0.488 184 A N 3.275 125.872 122.820 -0.373 0.000 2.293 184 A HA 0.484 4.788 4.320 -0.027 0.000 0.302 184 A C -1.765 175.714 177.584 -0.175 0.000 1.119 184 A CA -1.587 50.188 52.037 -0.437 0.000 0.823 184 A CB -0.059 18.802 19.000 -0.232 0.000 1.097 184 A HN 0.779 nan 8.150 nan 0.000 0.491 185 P HA 0.172 nan 4.420 nan 0.000 0.271 185 P C -0.775 176.448 177.300 -0.129 0.000 1.218 185 P CA 0.021 63.070 63.100 -0.085 0.000 0.780 185 P CB 0.251 31.958 31.700 0.012 0.000 0.901 186 H N 1.535 120.634 119.070 0.049 0.000 2.722 186 H HA 0.214 4.754 4.556 -0.027 0.000 0.328 186 H C 0.708 176.045 175.328 0.015 0.000 1.067 186 H CA -0.185 55.884 56.048 0.036 0.000 1.447 186 H CB 0.754 30.539 29.762 0.038 0.000 1.469 186 H HN 0.291 nan 8.280 nan 0.000 0.544 187 L N 4.427 125.689 121.223 0.065 0.000 2.468 187 L HA 0.222 4.546 4.340 -0.027 0.000 0.254 187 L C -1.779 175.026 176.870 -0.108 0.000 1.171 187 L CA -1.979 52.821 54.840 -0.066 0.000 0.809 187 L CB -0.145 41.816 42.059 -0.164 0.000 1.155 187 L HN 0.360 nan 8.230 nan 0.000 0.473 188 P HA 0.019 nan 4.420 nan 0.000 0.266 188 P C -2.096 175.119 177.300 -0.142 0.000 1.193 188 P CA -0.797 62.210 63.100 -0.154 0.000 0.770 188 P CB -0.012 31.585 31.700 -0.171 0.000 0.836 189 P HA -0.303 nan 4.420 nan 0.000 0.217 189 P C 1.257 178.522 177.300 -0.058 0.000 1.162 189 P CA 2.466 65.547 63.100 -0.031 0.000 0.901 189 P CB -0.334 31.381 31.700 0.025 0.000 0.793 190 A N -1.173 121.628 122.820 -0.033 0.000 1.930 190 A HA -0.141 4.163 4.320 -0.027 0.000 0.217 190 A C 2.218 179.725 177.584 -0.128 0.000 1.175 190 A CA 1.386 53.395 52.037 -0.046 0.000 0.627 190 A CB -1.488 17.537 19.000 0.043 0.000 0.815 190 A HN 0.121 nan 8.150 nan 0.000 0.443 191 L N -1.083 119.970 121.223 -0.283 0.000 2.131 191 L HA -0.116 4.208 4.340 -0.027 0.000 0.206 191 L C 2.576 179.379 176.870 -0.112 0.000 1.087 191 L CA 1.508 56.148 54.840 -0.333 0.000 0.767 191 L CB -0.564 40.972 42.059 -0.871 0.000 0.917 191 L HN 0.624 nan 8.230 nan 0.000 0.441 192 E N 0.606 120.699 120.200 -0.180 0.000 2.058 192 E HA -0.207 4.127 4.350 -0.027 0.000 0.194 192 E C 2.175 178.578 176.600 -0.328 0.000 0.997 192 E CA 1.768 58.036 56.400 -0.220 0.000 0.801 192 E CB 0.084 29.643 29.700 -0.235 0.000 0.746 192 E HN 0.198 nan 8.360 nan 0.000 0.450 193 V N 1.069 120.850 119.914 -0.222 0.000 2.307 193 V HA -0.224 3.880 4.120 -0.027 0.000 0.245 193 V C 2.464 178.678 176.094 0.199 0.000 1.045 193 V CA 1.834 64.119 62.300 -0.026 0.000 1.024 193 V CB -0.754 31.078 31.823 0.015 0.000 0.651 193 V HN 0.502 nan 8.190 nan 0.000 0.449 194 A N -0.134 122.761 122.820 0.125 0.000 2.015 194 A HA -0.230 4.074 4.320 -0.027 0.000 0.219 194 A C 2.359 179.940 177.584 -0.005 0.000 1.163 194 A CA 1.818 53.943 52.037 0.146 0.000 0.646 194 A CB -0.590 18.477 19.000 0.111 0.000 0.806 194 A HN 0.499 nan 8.150 nan 0.000 0.448 195 R N -0.131 120.373 120.500 0.008 0.000 2.105 195 R HA -0.159 4.165 4.340 -0.027 0.000 0.239 195 R C 1.770 177.983 176.300 -0.144 0.000 1.135 195 R CA 1.612 57.634 56.100 -0.130 0.000 0.967 195 R CB -0.166 30.084 30.300 -0.083 0.000 0.861 195 R HN 0.494 nan 8.270 nan 0.000 0.442 196 E N 0.419 120.575 120.200 -0.073 0.000 2.085 196 E HA -0.239 4.095 4.350 -0.027 0.000 0.194 196 E C 1.799 178.221 176.600 -0.297 0.000 0.994 196 E CA 1.392 57.736 56.400 -0.094 0.000 0.801 196 E CB -0.134 29.602 29.700 0.061 0.000 0.743 196 E HN 0.408 nan 8.360 nan 0.000 0.453 197 E N 0.844 120.676 120.200 -0.614 0.000 2.072 197 E HA -0.064 4.270 4.350 -0.027 0.000 0.190 197 E C 2.108 178.542 176.600 -0.276 0.000 0.982 197 E CA 0.584 56.542 56.400 -0.737 0.000 0.803 197 E CB -0.215 28.570 29.700 -1.524 0.000 0.755 197 E HN 0.207 nan 8.360 nan 0.000 0.453 198 I N 0.459 120.859 120.570 -0.283 0.000 2.226 198 I HA -0.282 3.872 4.170 -0.027 0.000 0.245 198 I C 2.364 178.354 176.117 -0.211 0.000 1.100 198 I CA 1.059 62.205 61.300 -0.256 0.000 1.374 198 I CB -0.407 37.398 38.000 -0.325 0.000 1.057 198 I HN 0.194 nan 8.210 nan 0.000 0.413 199 A N 0.355 123.072 122.820 -0.172 0.000 1.883 199 A HA -0.281 4.023 4.320 -0.027 0.000 0.217 199 A C 2.110 179.659 177.584 -0.059 0.000 1.186 199 A CA 1.835 53.805 52.037 -0.111 0.000 0.624 199 A CB -1.232 17.721 19.000 -0.078 0.000 0.822 199 A HN 0.690 nan 8.150 nan 0.000 0.444 200 W N 0.604 121.792 121.300 -0.188 0.000 2.355 200 W HA -0.123 4.521 4.660 -0.025 0.000 0.309 200 W C 1.679 178.129 176.519 -0.114 0.000 1.206 200 W CA 1.699 58.949 57.345 -0.160 0.000 1.284 200 W CB -0.562 28.772 29.460 -0.210 0.000 1.145 200 W HN 0.234 nan 8.180 nan 0.000 0.502 201 L N 0.514 121.403 121.223 -0.558 0.000 2.043 201 L HA -0.298 4.026 4.340 -0.027 0.000 0.212 201 L C 2.638 179.330 176.870 -0.297 0.000 1.075 201 L CA 1.595 56.029 54.840 -0.677 0.000 0.752 201 L CB -0.973 40.914 42.059 -0.288 0.000 0.891 201 L HN 0.091 nan 8.230 nan 0.000 0.432 202 L N -0.562 120.578 121.223 -0.139 0.000 2.127 202 L HA -0.212 4.112 4.340 -0.027 0.000 0.211 202 L C 2.689 179.465 176.870 -0.157 0.000 1.089 202 L CA 1.825 56.650 54.840 -0.024 0.000 0.757 202 L CB -0.890 41.132 42.059 -0.062 0.000 0.899 202 L HN 0.494 nan 8.230 nan 0.000 0.434 203 T N -3.822 110.584 114.554 -0.246 0.000 3.072 203 T HA -0.083 4.251 4.350 -0.027 0.000 0.266 203 T C 1.618 176.163 174.700 -0.258 0.000 1.127 203 T CA 0.469 62.443 62.100 -0.210 0.000 1.107 203 T CB -0.012 68.774 68.868 -0.137 0.000 0.910 203 T HN 0.099 nan 8.240 nan 0.000 0.513 204 M N 0.727 120.065 119.600 -0.437 0.000 2.561 204 M HA 0.282 4.746 4.480 -0.027 0.000 0.238 204 M C 0.964 177.028 176.300 -0.393 0.000 1.131 204 M CA 0.236 55.309 55.300 -0.378 0.000 1.046 204 M CB -0.666 31.559 32.600 -0.625 0.000 1.532 204 M HN 0.461 nan 8.290 nan 0.000 0.497 205 Q N 1.876 121.369 119.800 -0.512 0.000 2.279 205 Q HA 0.076 4.400 4.340 -0.027 0.000 0.256 205 Q C -0.807 174.986 176.000 -0.344 0.000 0.937 205 Q CA -0.235 55.200 55.803 -0.614 0.000 0.933 205 Q CB 1.041 29.368 28.738 -0.684 0.000 1.189 205 Q HN 0.044 nan 8.270 nan 0.000 0.417 206 D N 5.590 125.737 120.400 -0.421 0.000 2.358 206 D HA 0.079 4.703 4.640 -0.027 0.000 0.258 206 D C -1.837 174.372 176.300 -0.152 0.000 1.223 206 D CA -1.763 52.093 54.000 -0.238 0.000 0.886 206 D CB 1.315 41.893 40.800 -0.369 0.000 1.120 206 D HN 0.372 nan 8.370 nan 0.000 0.482 207 P HA -0.131 nan 4.420 nan 0.000 0.218 207 P C 0.915 178.202 177.300 -0.021 0.000 1.148 207 P CA 1.286 64.358 63.100 -0.046 0.000 0.822 207 P CB 0.135 31.822 31.700 -0.023 0.000 0.784 208 A N -0.591 122.224 122.820 -0.008 0.000 1.898 208 A HA -0.135 4.169 4.320 -0.027 0.000 0.216 208 A C 2.136 179.744 177.584 0.040 0.000 1.181 208 A CA 2.511 54.559 52.037 0.019 0.000 0.620 208 A CB -1.522 17.497 19.000 0.031 0.000 0.819 208 A HN 0.368 nan 8.150 nan 0.000 0.442 209 T N -6.612 107.966 114.554 0.040 0.000 2.959 209 T HA 0.440 4.774 4.350 -0.027 0.000 0.254 209 T C 1.425 176.226 174.700 0.167 0.000 1.003 209 T CA 1.070 63.255 62.100 0.141 0.000 0.950 209 T CB 0.486 69.490 68.868 0.227 0.000 1.090 209 T HN 1.733 nan 8.240 nan 0.000 0.503 210 G N 0.978 109.768 108.800 -0.016 0.000 2.176 210 G HA2 -0.073 3.871 3.960 -0.027 0.000 0.253 210 G HA3 -0.073 3.871 3.960 -0.027 0.000 0.253 210 G C 0.534 175.222 174.900 -0.353 0.000 0.979 210 G CA -0.022 45.026 45.100 -0.087 0.000 0.641 210 G HN 1.067 nan 8.290 nan 0.000 0.530 211 G N -0.990 107.432 108.800 -0.630 0.000 2.572 211 G HA2 0.609 4.553 3.960 -0.027 0.000 0.261 211 G HA3 0.609 4.553 3.960 -0.027 0.000 0.261 211 G C -0.283 173.968 174.900 -1.081 0.000 1.197 211 G CA 0.252 44.506 45.100 -1.410 0.000 0.870 211 G HN 1.023 nan 8.290 nan 0.000 0.548 212 V N 1.153 120.401 119.914 -1.110 0.000 2.487 212 V HA 0.240 4.344 4.120 -0.027 0.000 0.298 212 V C -0.856 174.813 176.094 -0.708 0.000 1.028 212 V CA -0.940 60.806 62.300 -0.924 0.000 0.860 212 V CB 1.171 32.431 31.823 -0.937 0.000 0.991 212 V HN 0.598 nan 8.190 nan 0.000 0.427 213 Y N 2.676 122.734 120.300 -0.404 0.000 2.610 213 Y HA 0.047 4.582 4.550 -0.025 0.000 0.332 213 Y C 1.605 177.366 175.900 -0.233 0.000 1.201 213 Y CA 0.479 58.433 58.100 -0.244 0.000 1.465 213 Y CB 0.055 38.408 38.460 -0.177 0.000 1.283 213 Y HN 0.750 nan 8.280 nan 0.000 0.563 214 H N 2.056 121.040 119.070 -0.143 0.000 2.387 214 H HA -0.060 4.480 4.556 -0.027 0.000 0.299 214 H C -0.075 175.114 175.328 -0.231 0.000 1.090 214 H CA 1.961 57.802 56.048 -0.344 0.000 1.332 214 H CB 0.329 29.575 29.762 -0.861 0.000 1.386 214 H HN 0.681 nan 8.280 nan 0.000 0.516 215 K N -2.144 118.208 120.400 -0.079 0.000 2.642 215 K HA 0.407 4.711 4.320 -0.027 0.000 0.290 215 K C -1.921 174.641 176.600 -0.062 0.000 1.006 215 K CA -0.912 55.311 56.287 -0.105 0.000 0.869 215 K CB 1.360 33.762 32.500 -0.163 0.000 1.499 215 K HN -0.105 nan 8.250 nan 0.000 0.403 216 V N 1.615 121.468 119.914 -0.101 0.000 2.407 216 V HA 0.693 4.797 4.120 -0.027 0.000 0.291 216 V C -1.212 174.753 176.094 -0.215 0.000 1.018 216 V CA 0.528 62.770 62.300 -0.097 0.000 0.842 216 V CB 1.177 33.002 31.823 0.004 0.000 0.996 216 V HN 1.034 nan 8.190 nan 0.000 0.426 217 T N 1.711 116.164 114.554 -0.168 0.000 2.816 217 T HA 0.595 4.929 4.350 -0.027 0.000 0.299 217 T C -0.021 174.625 174.700 -0.089 0.000 1.230 217 T CA -0.079 61.912 62.100 -0.183 0.000 1.007 217 T CB 1.598 70.333 68.868 -0.221 0.000 1.289 217 T HN 0.972 nan 8.240 nan 0.000 0.508 218 T N -0.450 114.063 114.554 -0.068 0.000 2.813 218 T HA 0.363 4.697 4.350 -0.027 0.000 0.297 218 T C -1.737 172.929 174.700 -0.055 0.000 1.036 218 T CA -1.120 60.965 62.100 -0.025 0.000 1.044 218 T CB -0.027 68.853 68.868 0.020 0.000 0.993 218 T HN 0.383 nan 8.240 nan 0.000 0.535 219 P HA 0.013 nan 4.420 nan 0.000 0.216 219 P C 0.237 177.483 177.300 -0.091 0.000 1.150 219 P CA 0.855 63.942 63.100 -0.021 0.000 0.837 219 P CB 0.170 31.881 31.700 0.019 0.000 0.786 220 S N -2.501 113.137 115.700 -0.102 0.000 2.704 220 S HA 0.528 4.982 4.470 -0.027 0.000 0.296 220 S C -0.727 173.774 174.600 -0.165 0.000 1.138 220 S CA -0.603 57.500 58.200 -0.161 0.000 0.875 220 S CB 0.613 63.800 63.200 -0.021 0.000 1.151 220 S HN -0.213 nan 8.310 nan 0.000 0.500 221 F N 3.025 123.005 119.950 0.050 0.000 2.443 221 F HA 0.380 4.891 4.527 -0.027 0.000 0.353 221 F C -1.366 174.459 175.800 0.041 0.000 1.101 221 F CA -1.483 56.541 58.000 0.040 0.000 1.226 221 F CB -0.065 38.948 39.000 0.023 0.000 1.140 221 F HN 0.275 nan 8.300 nan 0.000 0.557 222 P HA 0.285 nan 4.420 nan 0.000 0.276 222 P C -2.750 174.624 177.300 0.122 0.000 1.261 222 P CA -1.615 61.582 63.100 0.161 0.000 0.800 222 P CB 0.000 31.806 31.700 0.176 0.000 1.066 223 P HA 0.047 nan 4.420 nan 0.000 0.266 223 P C 1.321 178.632 177.300 0.019 0.000 1.193 223 P CA 0.068 63.203 63.100 0.058 0.000 0.770 223 P CB 0.298 32.029 31.700 0.052 0.000 0.836 224 L N 1.302 122.518 121.223 -0.011 0.000 2.263 224 L HA -0.213 4.111 4.340 -0.027 0.000 0.216 224 L C 1.388 178.222 176.870 -0.059 0.000 1.111 224 L CA 1.683 56.471 54.840 -0.088 0.000 0.773 224 L CB -0.288 41.722 42.059 -0.082 0.000 0.906 224 L HN 0.406 nan 8.230 nan 0.000 0.439 225 D N -0.848 119.549 120.400 -0.005 0.000 2.347 225 D HA -0.037 4.587 4.640 -0.027 0.000 0.213 225 D C 0.357 176.678 176.300 0.034 0.000 0.985 225 D CA 0.267 54.277 54.000 0.016 0.000 0.879 225 D CB 0.169 40.984 40.800 0.025 0.000 0.919 225 D HN 0.115 nan 8.370 nan 0.000 0.526 226 T N 1.305 115.890 114.554 0.053 0.000 2.814 226 T HA 0.234 4.568 4.350 -0.027 0.000 0.297 226 T C 0.525 175.305 174.700 0.134 0.000 0.956 226 T CA -0.394 61.763 62.100 0.094 0.000 1.123 226 T CB 1.056 70.010 68.868 0.143 0.000 0.902 226 T HN -0.025 nan 8.240 nan 0.000 0.528 227 R N 4.138 124.671 120.500 0.054 0.000 2.594 227 R HA 0.125 4.448 4.340 -0.027 0.000 0.272 227 R C -1.264 174.934 176.300 -0.170 0.000 1.074 227 R CA -1.710 54.386 56.100 -0.007 0.000 1.105 227 R CB 0.315 30.596 30.300 -0.032 0.000 1.008 227 R HN 0.413 nan 8.270 nan 0.000 0.472 228 P HA -0.242 nan 4.420 nan 0.000 0.215 228 P C 0.800 177.697 177.300 -0.671 0.000 1.157 228 P CA 1.504 64.052 63.100 -0.920 0.000 0.868 228 P CB 0.062 31.244 31.700 -0.863 0.000 0.788 229 E N -0.045 119.894 120.200 -0.435 0.000 2.347 229 E HA -0.161 4.173 4.350 -0.027 0.000 0.196 229 E C 0.710 177.173 176.600 -0.227 0.000 1.008 229 E CA 1.047 57.279 56.400 -0.280 0.000 0.852 229 E CB -0.919 28.710 29.700 -0.119 0.000 0.783 229 E HN 0.232 nan 8.360 nan 0.000 0.505 230 D N 1.251 121.532 120.400 -0.198 0.000 2.350 230 D HA -0.023 4.600 4.640 -0.027 0.000 0.213 230 D C -0.233 175.998 176.300 -0.116 0.000 1.031 230 D CA 0.347 54.276 54.000 -0.119 0.000 0.861 230 D CB -0.114 40.649 40.800 -0.062 0.000 0.926 230 D HN 0.149 nan 8.370 nan 0.000 0.520 231 D N 1.105 121.386 120.400 -0.199 0.000 2.453 231 D HA 0.032 4.656 4.640 -0.027 0.000 0.223 231 D C -0.079 176.141 176.300 -0.133 0.000 1.183 231 D CA -0.098 53.837 54.000 -0.109 0.000 0.933 231 D CB 0.349 41.130 40.800 -0.032 0.000 1.038 231 D HN -0.225 nan 8.370 nan 0.000 0.513 232 D N 2.263 122.631 120.400 -0.054 0.000 2.440 232 D HA 0.180 4.804 4.640 -0.027 0.000 0.216 232 D C 0.559 176.862 176.300 0.004 0.000 1.150 232 D CA -0.263 53.712 54.000 -0.042 0.000 0.832 232 D CB 0.459 41.233 40.800 -0.043 0.000 0.992 232 D HN 0.454 nan 8.370 nan 0.000 0.502 233 A N 2.333 125.173 122.820 0.033 0.000 2.466 233 A HA 0.327 4.631 4.320 -0.027 0.000 0.238 233 A C -1.939 175.671 177.584 0.042 0.000 1.074 233 A CA -0.698 51.363 52.037 0.040 0.000 0.774 233 A CB -0.244 18.788 19.000 0.052 0.000 1.015 233 A HN -0.041 nan 8.150 nan 0.000 0.498 234 P HA 0.210 nan 4.420 nan 0.000 0.268 234 P C -0.870 176.446 177.300 0.027 0.000 1.205 234 P CA 0.211 63.325 63.100 0.023 0.000 0.771 234 P CB 0.423 32.131 31.700 0.013 0.000 0.858 235 L N 2.613 123.850 121.223 0.023 0.000 2.312 235 L HA 0.416 4.740 4.340 -0.027 0.000 0.281 235 L C 0.153 177.022 176.870 -0.002 0.000 1.070 235 L CA -0.876 53.970 54.840 0.010 0.000 0.805 235 L CB 1.424 43.489 42.059 0.010 0.000 1.174 235 L HN 0.121 nan 8.230 nan 0.000 0.434 236 V N 4.509 124.422 119.914 -0.002 0.000 2.588 236 V HA 0.353 4.457 4.120 -0.027 0.000 0.304 236 V C -0.078 176.013 176.094 -0.006 0.000 1.042 236 V CA -0.563 61.750 62.300 0.022 0.000 0.877 236 V CB 2.085 33.965 31.823 0.094 0.000 0.996 236 V HN 0.500 nan 8.190 nan 0.000 0.425 237 L N 3.768 124.961 121.223 -0.050 0.000 2.278 237 L HA 0.351 4.675 4.340 -0.027 0.000 0.287 237 L C 0.762 177.651 176.870 0.032 0.000 1.072 237 L CA 0.396 55.165 54.840 -0.119 0.000 0.819 237 L CB 1.219 43.006 42.059 -0.454 0.000 1.176 237 L HN 0.666 nan 8.230 nan 0.000 0.435 238 S N 4.665 120.424 115.700 0.098 0.000 2.593 238 S HA 0.240 4.694 4.470 -0.027 0.000 0.269 238 S C -2.136 172.648 174.600 0.308 0.000 1.334 238 S CA -0.942 57.373 58.200 0.191 0.000 1.015 238 S CB 0.655 64.017 63.200 0.271 0.000 0.912 238 S HN 0.374 nan 8.310 nan 0.000 0.541 239 P HA 0.067 nan 4.420 nan 0.000 0.269 239 P C -0.235 177.231 177.300 0.275 0.000 1.211 239 P CA -0.029 63.278 63.100 0.344 0.000 0.781 239 P CB 0.195 32.040 31.700 0.242 0.000 0.877 240 I N 0.757 121.370 120.570 0.071 0.000 2.880 240 I HA -0.027 4.127 4.170 -0.027 0.000 0.296 240 I C 0.952 177.025 176.117 -0.073 0.000 1.220 240 I CA 1.223 62.380 61.300 -0.240 0.000 1.435 240 I CB 0.009 37.723 38.000 -0.478 0.000 1.339 240 I HN 0.404 nan 8.210 nan 0.000 0.583 241 S N 4.929 120.530 115.700 -0.164 0.000 2.570 241 S HA 0.299 4.752 4.470 -0.027 0.000 0.286 241 S C 0.398 174.948 174.600 -0.082 0.000 1.099 241 S CA -0.810 57.416 58.200 0.044 0.000 0.913 241 S CB 1.217 64.534 63.200 0.194 0.000 1.085 241 S HN 0.634 nan 8.310 nan 0.000 0.480 242 Y N 2.211 122.576 120.300 0.108 0.000 2.145 242 Y HA -0.058 4.475 4.550 -0.029 0.000 0.286 242 Y C 2.551 178.500 175.900 0.083 0.000 1.145 242 Y CA 2.446 60.668 58.100 0.203 0.000 1.148 242 Y CB -0.725 37.918 38.460 0.305 0.000 0.981 242 Y HN 0.921 nan 8.280 nan 0.000 0.507 243 A N 0.278 123.302 122.820 0.339 0.000 1.877 243 A HA -0.180 4.124 4.320 -0.027 0.000 0.216 243 A C 2.381 180.011 177.584 0.076 0.000 1.186 243 A CA 1.983 54.178 52.037 0.263 0.000 0.620 243 A CB -1.516 17.679 19.000 0.324 0.000 0.822 243 A HN 0.590 nan 8.150 nan 0.000 0.443 244 A N -1.103 121.717 122.820 0.000 0.000 1.902 244 A HA -0.069 4.235 4.320 -0.027 0.000 0.217 244 A C 2.304 179.743 177.584 -0.242 0.000 1.181 244 A CA 2.276 54.215 52.037 -0.163 0.000 0.623 244 A CB -1.229 17.632 19.000 -0.233 0.000 0.818 244 A HN 0.441 nan 8.150 nan 0.000 0.443 245 T N 0.212 114.539 114.554 -0.378 0.000 2.777 245 T HA 0.026 4.360 4.350 -0.027 0.000 0.266 245 T C 2.212 176.763 174.700 -0.248 0.000 1.040 245 T CA 1.520 63.337 62.100 -0.472 0.000 1.141 245 T CB -0.382 67.984 68.868 -0.838 0.000 0.868 245 T HN 0.575 nan 8.240 nan 0.000 0.444 246 A N 1.875 124.542 122.820 -0.255 0.000 1.897 246 A HA -0.082 4.222 4.320 -0.027 0.000 0.215 246 A C 2.646 180.112 177.584 -0.197 0.000 1.181 246 A CA 2.056 53.978 52.037 -0.192 0.000 0.620 246 A CB -1.204 17.717 19.000 -0.132 0.000 0.821 246 A HN 0.613 nan 8.150 nan 0.000 0.443 247 T N -2.963 111.497 114.554 -0.156 0.000 2.821 247 T HA -0.147 4.187 4.350 -0.027 0.000 0.267 247 T C 1.738 176.211 174.700 -0.378 0.000 1.046 247 T CA 1.398 63.321 62.100 -0.295 0.000 1.139 247 T CB -0.588 68.258 68.868 -0.037 0.000 0.871 247 T HN 0.359 nan 8.240 nan 0.000 0.454 248 F N 1.507 121.238 119.950 -0.366 0.000 2.095 248 F HA -0.122 4.388 4.527 -0.028 0.000 0.298 248 F C 2.738 178.324 175.800 -0.358 0.000 1.104 248 F CA 1.109 58.895 58.000 -0.357 0.000 1.232 248 F CB -1.044 37.743 39.000 -0.355 0.000 0.987 248 F HN 0.358 nan 8.300 nan 0.000 0.475 249 C N 0.895 120.095 119.300 -0.167 0.000 2.398 249 C HA -0.163 4.281 4.460 -0.027 0.000 0.276 249 C C 3.078 177.802 174.990 -0.442 0.000 1.222 249 C CA 1.764 60.642 59.018 -0.233 0.000 1.746 249 C CB -1.839 25.862 27.740 -0.065 0.000 2.039 249 C HN 0.661 nan 8.230 nan 0.000 0.470 250 A N 0.284 122.720 122.820 -0.640 0.000 1.877 250 A HA 0.134 4.438 4.320 -0.027 0.000 0.216 250 A C 2.504 179.681 177.584 -0.678 0.000 1.186 250 A CA 2.347 53.832 52.037 -0.920 0.000 0.620 250 A CB -1.271 16.445 19.000 -2.140 0.000 0.822 250 A HN 0.917 nan 8.150 nan 0.000 0.443 251 A N -0.998 121.411 122.820 -0.684 0.000 1.902 251 A HA -0.107 4.197 4.320 -0.027 0.000 0.217 251 A C 2.168 179.548 177.584 -0.340 0.000 1.181 251 A CA 2.001 53.807 52.037 -0.385 0.000 0.623 251 A CB -0.463 18.321 19.000 -0.360 0.000 0.818 251 A HN 0.421 nan 8.150 nan 0.000 0.443 252 M N -0.380 118.897 119.600 -0.539 0.000 2.132 252 M HA -0.047 4.416 4.480 -0.027 0.000 0.263 252 M C 2.503 178.631 176.300 -0.287 0.000 1.065 252 M CA 1.455 56.451 55.300 -0.507 0.000 1.122 252 M CB -1.626 30.490 32.600 -0.807 0.000 1.365 252 M HN 0.476 nan 8.290 nan 0.000 0.411 253 A N -1.063 121.591 122.820 -0.276 0.000 1.902 253 A HA -0.224 4.080 4.320 -0.027 0.000 0.217 253 A C 2.087 179.627 177.584 -0.073 0.000 1.181 253 A CA 2.024 53.946 52.037 -0.192 0.000 0.623 253 A CB -1.224 17.621 19.000 -0.258 0.000 0.818 253 A HN 0.612 nan 8.150 nan 0.000 0.443 254 H N -0.722 118.265 119.070 -0.138 0.000 2.319 254 H HA -0.056 4.485 4.556 -0.025 0.000 0.299 254 H C 2.360 177.698 175.328 0.017 0.000 1.092 254 H CA 1.261 57.292 56.048 -0.028 0.000 1.302 254 H CB -0.019 29.756 29.762 0.022 0.000 1.373 254 H HN 0.481 nan 8.280 nan 0.000 0.497 255 A N 0.860 123.763 122.820 0.138 0.000 1.933 255 A HA -0.163 4.141 4.320 -0.027 0.000 0.218 255 A C 2.552 180.252 177.584 0.193 0.000 1.175 255 A CA 1.476 53.614 52.037 0.168 0.000 0.628 255 A CB -1.151 17.821 19.000 -0.046 0.000 0.814 255 A HN 0.614 nan 8.150 nan 0.000 0.444 256 A N -0.135 122.717 122.820 0.052 0.000 1.892 256 A HA -0.136 4.168 4.320 -0.027 0.000 0.218 256 A C 2.214 179.850 177.584 0.087 0.000 1.188 256 A CA 1.675 53.733 52.037 0.036 0.000 0.631 256 A CB -0.669 18.311 19.000 -0.033 0.000 0.822 256 A HN 0.487 nan 8.150 nan 0.000 0.447 257 L N -0.722 120.552 121.223 0.085 0.000 1.994 257 L HA -0.162 4.162 4.340 -0.027 0.000 0.208 257 L C 2.588 179.538 176.870 0.133 0.000 1.071 257 L CA 1.349 56.239 54.840 0.083 0.000 0.745 257 L CB -0.551 41.539 42.059 0.052 0.000 0.892 257 L HN 0.276 nan 8.230 nan 0.000 0.431 258 V N -1.431 118.600 119.914 0.195 0.000 2.427 258 V HA -0.290 3.814 4.120 -0.027 0.000 0.248 258 V C 1.958 178.117 176.094 0.109 0.000 1.051 258 V CA 1.633 64.025 62.300 0.152 0.000 1.048 258 V CB -0.617 31.265 31.823 0.099 0.000 0.666 258 V HN 0.350 nan 8.190 nan 0.000 0.456 259 Y N -0.165 120.220 120.300 0.142 0.000 2.546 259 Y HA 0.012 4.546 4.550 -0.028 0.000 0.287 259 Y C 2.438 178.423 175.900 0.141 0.000 1.158 259 Y CA 0.734 58.942 58.100 0.181 0.000 1.307 259 Y CB -0.325 38.171 38.460 0.061 0.000 1.036 259 Y HN 0.115 nan 8.280 nan 0.000 0.532 260 R N 1.345 121.952 120.500 0.179 0.000 2.133 260 R HA -0.196 4.128 4.340 -0.027 0.000 0.245 260 R C -0.871 175.420 176.300 -0.014 0.000 1.137 260 R CA 2.168 58.309 56.100 0.069 0.000 0.947 260 R CB -1.211 29.106 30.300 0.029 0.000 0.865 260 R HN 0.189 nan 8.270 nan 0.000 0.437 261 P HA 0.001 nan 4.420 nan 0.000 0.249 261 P C 0.141 177.143 177.300 -0.496 0.000 1.229 261 P CA 0.915 63.797 63.100 -0.364 0.000 0.788 261 P CB 0.185 31.555 31.700 -0.550 0.000 1.072 262 F N -0.353 119.605 119.950 0.014 0.000 2.557 262 F HA 0.288 4.798 4.527 -0.027 0.000 0.278 262 F C 0.797 176.636 175.800 0.065 0.000 1.051 262 F CA 0.210 58.221 58.000 0.018 0.000 1.357 262 F CB 0.164 39.137 39.000 -0.045 0.000 1.104 262 F HN -0.184 nan 8.300 nan 0.000 0.654 263 D N -0.138 120.439 120.400 0.295 0.000 2.586 263 D HA 0.250 4.874 4.640 -0.027 0.000 0.254 263 D C -2.347 174.023 176.300 0.116 0.000 1.248 263 D CA -1.879 52.233 54.000 0.187 0.000 0.843 263 D CB 1.094 42.015 40.800 0.203 0.000 1.332 263 D HN -0.118 nan 8.370 nan 0.000 0.523 264 P HA -0.096 nan 4.420 nan 0.000 0.216 264 P C 1.207 178.517 177.300 0.016 0.000 1.150 264 P CA 1.217 64.338 63.100 0.035 0.000 0.837 264 P CB 0.383 32.092 31.700 0.014 0.000 0.786 265 A N -0.634 122.190 122.820 0.006 0.000 1.873 265 A HA -0.172 4.132 4.320 -0.027 0.000 0.215 265 A C 2.145 179.709 177.584 -0.032 0.000 1.186 265 A CA 1.459 53.488 52.037 -0.013 0.000 0.616 265 A CB -1.648 17.343 19.000 -0.015 0.000 0.823 265 A HN 0.157 nan 8.150 nan 0.000 0.442 266 L N -0.083 121.112 121.223 -0.047 0.000 2.017 266 L HA -0.115 4.209 4.340 -0.027 0.000 0.208 266 L C 2.639 179.452 176.870 -0.095 0.000 1.073 266 L CA 2.572 57.347 54.840 -0.110 0.000 0.745 266 L CB -0.798 41.141 42.059 -0.199 0.000 0.894 266 L HN 0.378 nan 8.230 nan 0.000 0.432 267 S N -1.659 114.028 115.700 -0.022 0.000 2.359 267 S HA -0.260 4.194 4.470 -0.027 0.000 0.224 267 S C 2.300 176.888 174.600 -0.020 0.000 1.035 267 S CA 1.930 60.137 58.200 0.012 0.000 1.018 267 S CB -0.664 62.578 63.200 0.069 0.000 0.876 267 S HN 0.662 nan 8.310 nan 0.000 0.448 268 S N -0.440 115.249 115.700 -0.018 0.000 2.368 268 S HA -0.142 4.312 4.470 -0.027 0.000 0.225 268 S C 2.284 176.864 174.600 -0.034 0.000 1.030 268 S CA 1.454 59.641 58.200 -0.021 0.000 0.999 268 S CB -1.132 62.060 63.200 -0.013 0.000 0.844 268 S HN 0.773 nan 8.310 nan 0.000 0.459 269 C N 0.909 120.182 119.300 -0.046 0.000 2.413 269 C HA -0.082 4.361 4.460 -0.027 0.000 0.276 269 C C 2.933 177.881 174.990 -0.070 0.000 1.236 269 C CA 1.134 60.120 59.018 -0.053 0.000 1.735 269 C CB -1.832 25.869 27.740 -0.064 0.000 2.031 269 C HN 0.790 nan 8.230 nan 0.000 0.474 270 C N 0.933 120.169 119.300 -0.107 0.000 2.429 270 C HA 0.016 4.460 4.460 -0.027 0.000 0.277 270 C C 3.137 178.046 174.990 -0.137 0.000 1.262 270 C CA 1.244 60.166 59.018 -0.161 0.000 1.733 270 C CB -1.626 25.999 27.740 -0.192 0.000 2.010 270 C HN 0.772 nan 8.230 nan 0.000 0.483 271 A N 0.892 123.660 122.820 -0.088 0.000 1.877 271 A HA -0.212 4.092 4.320 -0.027 0.000 0.216 271 A C 1.778 179.337 177.584 -0.042 0.000 1.186 271 A CA 2.261 54.257 52.037 -0.069 0.000 0.620 271 A CB -0.587 18.388 19.000 -0.041 0.000 0.822 271 A HN 0.537 nan 8.150 nan 0.000 0.443 272 D N -0.144 120.242 120.400 -0.022 0.000 2.149 272 D HA 0.031 4.655 4.640 -0.027 0.000 0.201 272 D C 2.244 178.559 176.300 0.026 0.000 0.972 272 D CA 1.364 55.368 54.000 0.006 0.000 0.835 272 D CB -0.467 40.336 40.800 0.006 0.000 0.966 272 D HN 0.407 nan 8.370 nan 0.000 0.476 273 A N 1.198 124.030 122.820 0.020 0.000 1.908 273 A HA -0.099 4.205 4.320 -0.027 0.000 0.218 273 A C 2.321 179.989 177.584 0.140 0.000 1.181 273 A CA 2.306 54.404 52.037 0.101 0.000 0.627 273 A CB -0.759 18.324 19.000 0.138 0.000 0.818 273 A HN 0.234 nan 8.150 nan 0.000 0.445 274 A N -0.340 122.472 122.820 -0.014 0.000 1.877 274 A HA -0.185 4.119 4.320 -0.027 0.000 0.216 274 A C 2.261 179.884 177.584 0.065 0.000 1.186 274 A CA 1.618 53.629 52.037 -0.043 0.000 0.620 274 A CB -0.491 18.409 19.000 -0.167 0.000 0.822 274 A HN 0.547 nan 8.150 nan 0.000 0.443 275 R N -0.855 119.684 120.500 0.065 0.000 2.096 275 R HA -0.078 4.246 4.340 -0.027 0.000 0.235 275 R C 2.477 178.885 176.300 0.180 0.000 1.127 275 R CA 1.493 57.675 56.100 0.136 0.000 0.968 275 R CB -0.260 30.105 30.300 0.109 0.000 0.861 275 R HN 0.499 nan 8.270 nan 0.000 0.440 276 R N 0.005 120.585 120.500 0.134 0.000 2.092 276 R HA -0.033 4.291 4.340 -0.027 0.000 0.231 276 R C 2.301 178.689 176.300 0.145 0.000 1.119 276 R CA 1.214 57.389 56.100 0.125 0.000 0.970 276 R CB -0.270 30.075 30.300 0.074 0.000 0.864 276 R HN 0.184 nan 8.270 nan 0.000 0.440 277 A N 0.343 123.247 122.820 0.141 0.000 1.902 277 A HA -0.212 4.092 4.320 -0.027 0.000 0.217 277 A C 1.943 179.623 177.584 0.159 0.000 1.181 277 A CA 1.089 53.186 52.037 0.100 0.000 0.623 277 A CB -0.680 18.417 19.000 0.162 0.000 0.818 277 A HN 0.394 nan 8.150 nan 0.000 0.443 278 Y N 0.412 120.772 120.300 0.101 0.000 2.224 278 Y HA -0.083 4.454 4.550 -0.021 0.000 0.289 278 Y C 2.698 178.703 175.900 0.175 0.000 1.146 278 Y CA 1.093 59.273 58.100 0.135 0.000 1.182 278 Y CB -0.309 38.259 38.460 0.179 0.000 0.983 278 Y HN 0.338 nan 8.280 nan 0.000 0.524 279 A N -0.479 122.529 122.820 0.313 0.000 1.908 279 A HA -0.293 4.011 4.320 -0.027 0.000 0.218 279 A C 2.061 179.752 177.584 0.179 0.000 1.181 279 A CA 1.763 53.933 52.037 0.221 0.000 0.627 279 A CB -1.644 17.467 19.000 0.185 0.000 0.818 279 A HN 0.816 nan 8.150 nan 0.000 0.445 280 W N 0.667 121.978 121.300 0.019 0.000 2.335 280 W HA -0.189 4.454 4.660 -0.029 0.000 0.311 280 W C 1.838 178.394 176.519 0.062 0.000 1.213 280 W CA 1.987 59.353 57.345 0.035 0.000 1.274 280 W CB -0.250 29.123 29.460 -0.146 0.000 1.148 280 W HN 0.278 nan 8.180 nan 0.000 0.498 281 L N 0.233 121.581 121.223 0.209 0.000 2.043 281 L HA -0.190 4.134 4.340 -0.027 0.000 0.212 281 L C 2.650 179.496 176.870 -0.041 0.000 1.075 281 L CA 1.576 56.395 54.840 -0.036 0.000 0.752 281 L CB -1.656 40.165 42.059 -0.398 0.000 0.891 281 L HN 0.246 nan 8.230 nan 0.000 0.432 282 G N -0.713 108.037 108.800 -0.083 0.000 2.470 282 G HA2 -0.124 3.820 3.960 -0.027 0.000 0.220 282 G HA3 -0.124 3.820 3.960 -0.027 0.000 0.220 282 G C 1.399 176.248 174.900 -0.086 0.000 1.121 282 G CA 0.723 45.799 45.100 -0.041 0.000 0.766 282 G HN 0.487 nan 8.290 nan 0.000 0.553 283 A N -0.731 121.985 122.820 -0.174 0.000 2.387 283 A HA 0.528 4.832 4.320 -0.027 0.000 0.234 283 A C 0.132 177.277 177.584 -0.732 0.000 1.253 283 A CA -0.214 51.594 52.037 -0.381 0.000 0.894 283 A CB 0.127 18.884 19.000 -0.407 0.000 0.963 283 A HN 0.407 nan 8.150 nan 0.000 0.508 284 H N -0.631 118.184 119.070 -0.425 0.000 2.895 284 H HA 0.449 4.988 4.556 -0.028 0.000 0.373 284 H C -0.708 174.535 175.328 -0.141 0.000 1.174 284 H CA -0.706 55.063 56.048 -0.465 0.000 1.144 284 H CB 1.023 30.053 29.762 -1.219 0.000 1.793 284 H HN 0.307 nan 8.280 nan 0.000 0.551 285 E N 1.551 121.763 120.200 0.019 0.000 2.373 285 E HA 0.139 4.473 4.350 -0.027 0.000 0.263 285 E C -0.153 176.426 176.600 -0.035 0.000 1.073 285 E CA -0.349 56.047 56.400 -0.006 0.000 0.894 285 E CB 0.912 30.606 29.700 -0.010 0.000 1.008 285 E HN 0.410 nan 8.360 nan 0.000 0.420 286 M N 2.872 122.307 119.600 -0.275 0.000 3.442 286 M HA -0.002 4.461 4.480 -0.027 0.000 0.232 286 M C -0.166 176.032 176.300 -0.170 0.000 1.508 286 M CA 0.214 55.191 55.300 -0.539 0.000 1.647 286 M CB -0.354 31.906 32.600 -0.566 0.000 1.126 286 M HN 0.317 nan 8.290 nan 0.000 0.557 287 Q N 3.146 122.948 119.800 0.002 0.000 2.296 287 Q HA 0.347 4.671 4.340 -0.027 0.000 0.257 287 Q C -2.373 173.678 176.000 0.085 0.000 0.942 287 Q CA -1.591 54.252 55.803 0.067 0.000 0.939 287 Q CB 1.042 29.854 28.738 0.122 0.000 1.198 287 Q HN 0.192 nan 8.270 nan 0.000 0.429 288 P HA -0.003 nan 4.420 nan 0.000 0.268 288 P C -1.236 175.978 177.300 -0.143 0.000 1.205 288 P CA -0.054 63.030 63.100 -0.028 0.000 0.771 288 P CB 0.291 31.946 31.700 -0.075 0.000 0.858 289 F N 4.097 123.865 119.950 -0.304 0.000 2.412 289 F HA 0.247 4.758 4.527 -0.027 0.000 0.348 289 F C 0.354 175.793 175.800 -0.601 0.000 1.102 289 F CA 0.342 58.094 58.000 -0.413 0.000 1.196 289 F CB 0.382 38.969 39.000 -0.689 0.000 1.144 289 F HN 0.338 nan 8.300 nan 0.000 0.541 290 H N 3.564 122.057 119.070 -0.962 0.000 2.768 290 H HA 0.215 4.755 4.556 -0.027 0.000 0.371 290 H C -0.573 174.095 175.328 -1.101 0.000 1.151 290 H CA -1.125 54.499 56.048 -0.707 0.000 1.165 290 H CB 1.220 30.769 29.762 -0.355 0.000 1.722 290 H HN 0.488 nan 8.280 nan 0.000 0.543 291 N N 3.112 121.574 118.700 -0.396 0.000 2.357 291 N HA 0.024 4.748 4.740 -0.027 0.000 0.257 291 N C -2.188 173.131 175.510 -0.318 0.000 1.250 291 N CA -0.645 52.256 53.050 -0.248 0.000 0.862 291 N CB 0.253 38.729 38.487 -0.019 0.000 1.066 291 N HN 0.322 nan 8.380 nan 0.000 0.468 292 P HA 0.086 nan 4.420 nan 0.000 0.272 292 P C -0.632 176.541 177.300 -0.211 0.000 1.230 292 P CA -0.212 62.588 63.100 -0.500 0.000 0.788 292 P CB 0.490 31.365 31.700 -1.375 0.000 0.949 293 D N 0.490 120.866 120.400 -0.040 0.000 2.488 293 D HA 0.268 4.892 4.640 -0.027 0.000 0.238 293 D C 1.601 177.986 176.300 0.142 0.000 1.138 293 D CA 1.689 55.729 54.000 0.065 0.000 0.873 293 D CB -0.148 40.716 40.800 0.107 0.000 1.183 293 D HN 0.684 nan 8.370 nan 0.000 0.458 294 G N 1.705 110.559 108.800 0.090 0.000 2.176 294 G HA2 -0.224 3.719 3.960 -0.027 0.000 0.253 294 G HA3 -0.224 3.719 3.960 -0.027 0.000 0.253 294 G C 0.160 175.109 174.900 0.081 0.000 0.979 294 G CA -0.305 44.855 45.100 0.101 0.000 0.641 294 G HN 0.451 nan 8.290 nan 0.000 0.530 295 I N 1.320 121.916 120.570 0.042 0.000 2.354 295 I HA 0.434 4.588 4.170 -0.027 0.000 0.286 295 I C 1.068 177.177 176.117 -0.014 0.000 1.007 295 I CA -0.639 60.666 61.300 0.007 0.000 1.167 295 I CB 1.082 39.075 38.000 -0.012 0.000 1.320 295 I HN 0.033 nan 8.210 nan 0.000 0.458 296 L N 4.633 125.822 121.223 -0.057 0.000 2.808 296 L HA 0.100 4.424 4.340 -0.027 0.000 0.246 296 L C 1.200 177.970 176.870 -0.167 0.000 1.153 296 L CA 0.021 54.826 54.840 -0.058 0.000 0.956 296 L CB 0.100 42.142 42.059 -0.028 0.000 1.270 296 L HN 0.621 nan 8.230 nan 0.000 0.528 297 T N -1.847 112.543 114.554 -0.274 0.000 2.732 297 T HA 0.345 4.679 4.350 -0.027 0.000 0.287 297 T C 0.912 175.659 174.700 0.080 0.000 0.993 297 T CA -0.159 61.689 62.100 -0.421 0.000 0.966 297 T CB 0.930 69.606 68.868 -0.321 0.000 1.047 297 T HN 0.155 nan 8.240 nan 0.000 0.527 298 G N -0.323 108.649 108.800 0.287 0.000 2.178 298 G HA2 0.094 4.038 3.960 -0.027 0.000 0.244 298 G HA3 0.094 4.038 3.960 -0.027 0.000 0.244 298 G C 0.499 175.467 174.900 0.114 0.000 1.213 298 G CA -0.225 44.897 45.100 0.037 0.000 0.912 298 G HN 0.945 nan 8.290 nan 0.000 0.474 299 E N 1.873 122.080 120.200 0.011 0.000 2.112 299 E HA -0.077 4.257 4.350 -0.027 0.000 0.190 299 E C 0.018 176.803 176.600 0.309 0.000 0.979 299 E CA -0.134 56.413 56.400 0.244 0.000 0.814 299 E CB -0.092 29.719 29.700 0.185 0.000 0.762 299 E HN 0.609 nan 8.360 nan 0.000 0.460 300 Y N -0.539 119.735 120.300 -0.042 0.000 3.001 300 Y HA -0.231 4.303 4.550 -0.027 0.000 0.207 300 Y C 0.414 176.476 175.900 0.270 0.000 1.231 300 Y CA 0.374 58.334 58.100 -0.235 0.000 1.024 300 Y CB -1.801 36.282 38.460 -0.628 0.000 1.267 300 Y HN 0.132 nan 8.280 nan 0.000 0.501 301 G N 0.113 109.156 108.800 0.405 0.000 2.547 301 G HA2 0.508 4.452 3.960 -0.027 0.000 0.291 301 G HA3 0.508 4.452 3.960 -0.027 0.000 0.291 301 G C -0.933 174.176 174.900 0.349 0.000 1.211 301 G CA 0.276 45.572 45.100 0.326 0.000 0.950 301 G HN 0.284 nan 8.290 nan 0.000 0.504 302 D N -2.096 118.420 120.400 0.193 0.000 2.530 302 D HA 0.358 4.982 4.640 -0.027 0.000 0.193 302 D C 0.471 176.820 176.300 0.083 0.000 1.243 302 D CA 0.131 54.220 54.000 0.149 0.000 0.803 302 D CB 1.000 41.933 40.800 0.221 0.000 1.955 302 D HN 0.469 nan 8.370 nan 0.000 0.529 303 A N 3.237 126.088 122.820 0.052 0.000 2.081 303 A HA 0.171 4.475 4.320 -0.027 0.000 0.214 303 A C 0.849 178.452 177.584 0.032 0.000 1.158 303 A CA 0.627 52.687 52.037 0.039 0.000 0.724 303 A CB 0.023 19.047 19.000 0.040 0.000 0.826 303 A HN 0.320 nan 8.150 nan 0.000 0.463 304 E N 0.004 120.227 120.200 0.038 0.000 2.109 304 E HA 0.525 4.859 4.350 -0.027 0.000 0.278 304 E C -0.053 176.587 176.600 0.068 0.000 0.954 304 E CA -0.152 56.270 56.400 0.038 0.000 0.779 304 E CB 0.630 30.348 29.700 0.031 0.000 1.093 304 E HN 0.282 nan 8.360 nan 0.000 0.401 305 L N 4.230 125.483 121.223 0.051 0.000 2.858 305 L HA 0.328 4.652 4.340 -0.027 0.000 0.251 305 L C 1.712 178.665 176.870 0.138 0.000 1.149 305 L CA -0.185 54.715 54.840 0.101 0.000 0.955 305 L CB 0.166 42.226 42.059 0.003 0.000 1.289 305 L HN 0.438 nan 8.230 nan 0.000 0.542 306 R N 0.846 121.406 120.500 0.099 0.000 2.115 306 R HA -0.124 4.200 4.340 -0.027 0.000 0.226 306 R C 1.789 178.191 176.300 0.170 0.000 1.100 306 R CA 1.574 57.748 56.100 0.125 0.000 0.980 306 R CB -0.169 30.184 30.300 0.088 0.000 0.875 306 R HN 0.483 nan 8.270 nan 0.000 0.445 307 D N 0.619 121.118 120.400 0.166 0.000 2.178 307 D HA -0.174 4.449 4.640 -0.027 0.000 0.202 307 D C 1.128 177.586 176.300 0.263 0.000 0.974 307 D CA 0.998 55.108 54.000 0.183 0.000 0.841 307 D CB -0.085 40.802 40.800 0.145 0.000 0.953 307 D HN 0.137 nan 8.370 nan 0.000 0.478 308 E N 0.414 120.790 120.200 0.294 0.000 2.072 308 E HA -0.074 4.260 4.350 -0.027 0.000 0.191 308 E C 2.011 178.798 176.600 0.312 0.000 0.985 308 E CA 0.303 56.913 56.400 0.350 0.000 0.801 308 E CB -0.386 29.517 29.700 0.340 0.000 0.750 308 E HN 0.199 nan 8.360 nan 0.000 0.452 309 L N 0.527 121.943 121.223 0.322 0.000 2.046 309 L HA -0.084 4.240 4.340 -0.027 0.000 0.208 309 L C 2.051 179.089 176.870 0.281 0.000 1.077 309 L CA 1.435 56.451 54.840 0.293 0.000 0.747 309 L CB -0.554 41.691 42.059 0.309 0.000 0.896 309 L HN 0.242 nan 8.230 nan 0.000 0.432 310 L N -1.638 119.737 121.223 0.253 0.000 1.989 310 L HA -0.273 4.050 4.340 -0.027 0.000 0.211 310 L C 2.423 179.453 176.870 0.267 0.000 1.071 310 L CA 1.952 56.921 54.840 0.215 0.000 0.749 310 L CB -0.572 41.579 42.059 0.153 0.000 0.890 310 L HN 0.579 nan 8.230 nan 0.000 0.431 311 W N 0.733 122.078 121.300 0.076 0.000 2.355 311 W HA -0.209 4.434 4.660 -0.029 0.000 0.309 311 W C 2.443 178.985 176.519 0.038 0.000 1.206 311 W CA 1.858 59.235 57.345 0.054 0.000 1.284 311 W CB -0.885 28.620 29.460 0.075 0.000 1.145 311 W HN 0.292 nan 8.180 nan 0.000 0.502 312 A N 0.013 122.881 122.820 0.080 0.000 1.883 312 A HA -0.225 4.079 4.320 -0.027 0.000 0.217 312 A C 2.181 179.770 177.584 0.008 0.000 1.186 312 A CA 2.626 54.640 52.037 -0.039 0.000 0.624 312 A CB -1.221 17.838 19.000 0.098 0.000 0.822 312 A HN 0.261 nan 8.150 nan 0.000 0.444 313 S N -0.903 114.907 115.700 0.183 0.000 2.356 313 S HA -0.196 4.258 4.470 -0.027 0.000 0.223 313 S C 1.969 176.517 174.600 -0.088 0.000 1.032 313 S CA 1.460 59.716 58.200 0.093 0.000 1.005 313 S CB -0.730 62.663 63.200 0.322 0.000 0.867 313 S HN 0.720 nan 8.310 nan 0.000 0.449 314 C N 1.802 121.130 119.300 0.045 0.000 2.425 314 C HA 0.057 4.501 4.460 -0.027 0.000 0.277 314 C C 3.067 178.021 174.990 -0.060 0.000 1.280 314 C CA 0.347 59.398 59.018 0.055 0.000 1.744 314 C CB -1.582 26.246 27.740 0.146 0.000 1.989 314 C HN 0.671 nan 8.230 nan 0.000 0.491 315 A N 0.334 123.106 122.820 -0.081 0.000 1.908 315 A HA -0.120 4.184 4.320 -0.027 0.000 0.218 315 A C 2.111 179.492 177.584 -0.337 0.000 1.181 315 A CA 1.520 53.453 52.037 -0.172 0.000 0.627 315 A CB -0.559 18.305 19.000 -0.227 0.000 0.818 315 A HN 0.627 nan 8.150 nan 0.000 0.445 316 L N -1.148 119.734 121.223 -0.568 0.000 2.179 316 L HA -0.088 4.236 4.340 -0.027 0.000 0.208 316 L C 2.488 178.751 176.870 -1.011 0.000 1.096 316 L CA 0.765 55.047 54.840 -0.930 0.000 0.779 316 L CB -0.444 40.633 42.059 -1.637 0.000 0.922 316 L HN 0.482 nan 8.230 nan 0.000 0.443 317 L N 0.398 121.141 121.223 -0.799 0.000 1.990 317 L HA -0.261 4.062 4.340 -0.027 0.000 0.213 317 L C 2.695 179.450 176.870 -0.192 0.000 1.072 317 L CA 1.919 56.561 54.840 -0.330 0.000 0.755 317 L CB -0.545 41.498 42.059 -0.026 0.000 0.889 317 L HN 0.127 nan 8.230 nan 0.000 0.432 318 R N -1.114 119.276 120.500 -0.184 0.000 2.090 318 R HA -0.147 4.177 4.340 -0.027 0.000 0.228 318 R C 2.403 178.623 176.300 -0.133 0.000 1.110 318 R CA 1.696 57.717 56.100 -0.133 0.000 0.973 318 R CB -0.336 29.889 30.300 -0.125 0.000 0.869 318 R HN 0.504 nan 8.270 nan 0.000 0.440 319 M N 0.296 119.786 119.600 -0.183 0.000 2.117 319 M HA -0.151 4.313 4.480 -0.027 0.000 0.262 319 M C 1.797 178.039 176.300 -0.096 0.000 1.065 319 M CA 2.368 57.583 55.300 -0.141 0.000 1.114 319 M CB -0.009 32.483 32.600 -0.180 0.000 1.361 319 M HN 0.318 nan 8.290 nan 0.000 0.408 320 T N -3.785 110.706 114.554 -0.105 0.000 3.031 320 T HA 0.236 4.570 4.350 -0.027 0.000 0.254 320 T C 1.489 176.203 174.700 0.023 0.000 1.060 320 T CA 0.783 62.881 62.100 -0.004 0.000 1.135 320 T CB -0.263 68.670 68.868 0.107 0.000 0.896 320 T HN 0.632 nan 8.240 nan 0.000 0.472 321 G N 1.850 110.652 108.800 0.004 0.000 2.168 321 G HA2 -0.249 3.695 3.960 -0.027 0.000 0.257 321 G HA3 -0.249 3.695 3.960 -0.027 0.000 0.257 321 G C -0.225 174.715 174.900 0.067 0.000 0.997 321 G CA 0.308 45.419 45.100 0.017 0.000 0.708 321 G HN 0.816 nan 8.290 nan 0.000 0.520 322 D N 0.343 120.834 120.400 0.153 0.000 2.280 322 D HA 0.517 5.141 4.640 -0.027 0.000 0.243 322 D C 1.770 178.186 176.300 0.194 0.000 1.129 322 D CA 0.263 54.368 54.000 0.175 0.000 0.848 322 D CB 0.879 41.813 40.800 0.223 0.000 1.107 322 D HN 0.224 nan 8.370 nan 0.000 0.471 323 S N 3.001 118.760 115.700 0.098 0.000 2.442 323 S HA -0.159 4.295 4.470 -0.027 0.000 0.236 323 S C 2.040 176.685 174.600 0.075 0.000 1.007 323 S CA 0.620 58.872 58.200 0.086 0.000 0.965 323 S CB -0.314 62.914 63.200 0.047 0.000 0.773 323 S HN 0.508 nan 8.310 nan 0.000 0.504 324 A N 1.125 123.948 122.820 0.006 0.000 1.986 324 A HA -0.082 4.222 4.320 -0.027 0.000 0.220 324 A C 1.813 179.334 177.584 -0.105 0.000 1.171 324 A CA 1.354 53.331 52.037 -0.100 0.000 0.640 324 A CB -1.321 17.541 19.000 -0.231 0.000 0.811 324 A HN 0.778 nan 8.150 nan 0.000 0.451 325 W N -0.443 120.853 121.300 -0.007 0.000 2.425 325 W HA 0.048 4.711 4.660 0.006 0.000 0.277 325 W C 2.567 179.112 176.519 0.044 0.000 1.231 325 W CA 0.864 58.204 57.345 -0.009 0.000 1.248 325 W CB -0.025 29.411 29.460 -0.040 0.000 1.117 325 W HN 0.391 nan 8.180 nan 0.000 0.568 326 A N 0.588 123.570 122.820 0.270 0.000 2.067 326 A HA -0.147 4.156 4.320 -0.027 0.000 0.219 326 A C 1.923 179.612 177.584 0.176 0.000 1.158 326 A CA 1.111 53.295 52.037 0.246 0.000 0.661 326 A CB -0.529 18.605 19.000 0.223 0.000 0.801 326 A HN 0.319 nan 8.150 nan 0.000 0.452 327 R N -0.996 119.577 120.500 0.122 0.000 2.096 327 R HA -0.080 4.243 4.340 -0.027 0.000 0.235 327 R C 2.014 178.374 176.300 0.099 0.000 1.127 327 R CA 1.430 57.579 56.100 0.083 0.000 0.968 327 R CB -0.544 29.777 30.300 0.035 0.000 0.861 327 R HN 0.430 nan 8.270 nan 0.000 0.440 328 V N -0.104 119.894 119.914 0.140 0.000 2.500 328 V HA -0.150 3.954 4.120 -0.027 0.000 0.243 328 V C 2.054 178.255 176.094 0.179 0.000 1.039 328 V CA 1.343 63.749 62.300 0.176 0.000 1.053 328 V CB -0.011 31.968 31.823 0.260 0.000 0.695 328 V HN 0.431 nan 8.190 nan 0.000 0.463 329 C N 0.587 120.003 119.300 0.192 0.000 2.432 329 C HA -0.111 4.333 4.460 -0.027 0.000 0.277 329 C C 2.592 177.597 174.990 0.025 0.000 1.249 329 C CA 1.474 60.570 59.018 0.131 0.000 1.725 329 C CB -1.173 26.669 27.740 0.170 0.000 2.028 329 C HN 0.676 nan 8.230 nan 0.000 0.477 330 E N 0.881 121.099 120.200 0.030 0.000 2.072 330 E HA -0.140 4.194 4.350 -0.027 0.000 0.191 330 E C -0.489 176.114 176.600 0.004 0.000 0.985 330 E CA 1.341 57.722 56.400 -0.033 0.000 0.801 330 E CB -0.976 28.747 29.700 0.039 0.000 0.750 330 E HN 0.532 nan 8.360 nan 0.000 0.452 331 P HA -0.164 nan 4.420 nan 0.000 0.216 331 P C 1.284 178.617 177.300 0.056 0.000 1.150 331 P CA 1.126 64.255 63.100 0.048 0.000 0.837 331 P CB -0.002 31.732 31.700 0.057 0.000 0.786 332 L N -1.615 119.648 121.223 0.067 0.000 2.093 332 L HA -0.118 4.206 4.340 -0.027 0.000 0.208 332 L C 2.379 179.306 176.870 0.094 0.000 1.085 332 L CA 1.095 55.987 54.840 0.086 0.000 0.755 332 L CB -0.912 41.212 42.059 0.108 0.000 0.904 332 L HN -0.066 nan 8.230 nan 0.000 0.435 333 L N -0.363 120.885 121.223 0.041 0.000 2.275 333 L HA -0.205 4.119 4.340 -0.027 0.000 0.215 333 L C 1.914 178.898 176.870 0.191 0.000 1.119 333 L CA 0.886 55.778 54.840 0.087 0.000 0.790 333 L CB -0.400 41.567 42.059 -0.153 0.000 0.919 333 L HN 0.261 nan 8.230 nan 0.000 0.443 334 D N -0.397 120.060 120.400 0.095 0.000 2.277 334 D HA -0.008 4.616 4.640 -0.027 0.000 0.208 334 D C 0.982 177.309 176.300 0.046 0.000 0.962 334 D CA 0.159 54.198 54.000 0.064 0.000 0.865 334 D CB 0.197 41.019 40.800 0.037 0.000 0.939 334 D HN 0.086 nan 8.370 nan 0.000 0.510 335 L N 0.929 122.196 121.223 0.073 0.000 2.483 335 L HA 0.040 4.364 4.340 -0.027 0.000 0.276 335 L C 0.535 177.411 176.870 0.009 0.000 1.213 335 L CA -0.128 54.741 54.840 0.048 0.000 0.843 335 L CB 0.390 42.494 42.059 0.075 0.000 1.107 335 L HN -0.069 nan 8.230 nan 0.000 0.487 336 D N 2.328 122.707 120.400 -0.035 0.000 2.494 336 D HA 0.175 4.799 4.640 -0.027 0.000 0.249 336 D C 0.379 176.635 176.300 -0.074 0.000 1.223 336 D CA 0.246 54.188 54.000 -0.098 0.000 0.865 336 D CB -0.334 40.414 40.800 -0.087 0.000 0.974 336 D HN 0.251 nan 8.370 nan 0.000 0.491 337 L N 1.724 122.951 121.223 0.006 0.000 2.483 337 L HA 0.131 4.455 4.340 -0.027 0.000 0.276 337 L C -1.640 175.254 176.870 0.039 0.000 1.213 337 L CA -1.415 53.465 54.840 0.066 0.000 0.843 337 L CB -0.096 42.069 42.059 0.177 0.000 1.107 337 L HN -0.080 nan 8.230 nan 0.000 0.487 338 P HA -0.082 nan 4.420 nan 0.000 0.271 338 P C -1.168 176.261 177.300 0.216 0.000 1.216 338 P CA -0.178 62.940 63.100 0.029 0.000 0.771 338 P CB 0.381 32.075 31.700 -0.009 0.000 0.864 339 W N 3.656 124.887 121.300 -0.115 0.000 2.120 339 W HA 0.321 4.965 4.660 -0.027 0.000 0.371 339 W C 0.472 176.876 176.519 -0.192 0.000 0.865 339 W CA -0.205 57.054 57.345 -0.143 0.000 1.529 339 W CB -0.308 29.071 29.460 -0.135 0.000 1.623 339 W HN 0.392 nan 8.180 nan 0.000 0.325 340 E N 0.759 120.939 120.200 -0.032 0.000 2.370 340 E HA 0.497 4.831 4.350 -0.027 0.000 0.259 340 E C -0.269 176.157 176.600 -0.289 0.000 0.947 340 E CA -1.096 55.217 56.400 -0.145 0.000 0.809 340 E CB 2.000 31.637 29.700 -0.104 0.000 1.300 340 E HN 0.024 nan 8.360 nan 0.000 0.419 341 L N 1.491 122.530 121.223 -0.306 0.000 3.141 341 L HA 0.353 4.676 4.340 -0.027 0.000 0.263 341 L C 0.452 177.301 176.870 -0.034 0.000 1.312 341 L CA -0.222 54.339 54.840 -0.466 0.000 1.012 341 L CB 0.089 41.806 42.059 -0.570 0.000 1.408 341 L HN 0.800 nan 8.230 nan 0.000 0.559 342 G N 0.211 109.013 108.800 0.004 0.000 2.741 342 G HA2 -0.280 3.664 3.960 -0.027 0.000 0.222 342 G HA3 -0.280 3.664 3.960 -0.027 0.000 0.222 342 G C 0.305 175.211 174.900 0.009 0.000 1.364 342 G CA 0.099 45.252 45.100 0.087 0.000 0.866 342 G HN 0.506 nan 8.290 nan 0.000 0.555 343 W N -1.188 120.132 121.300 0.035 0.000 2.519 343 W HA 0.351 4.995 4.660 -0.028 0.000 0.266 343 W C 1.875 178.416 176.519 0.036 0.000 1.253 343 W CA 1.737 59.063 57.345 -0.031 0.000 1.274 343 W CB -1.085 28.202 29.460 -0.288 0.000 1.114 343 W HN 1.080 nan 8.180 nan 0.000 0.596 344 A N 0.771 123.300 122.820 -0.485 0.000 1.943 344 A HA 0.003 4.306 4.320 -0.027 0.000 0.213 344 A C 0.632 178.152 177.584 -0.106 0.000 1.181 344 A CA 0.757 52.575 52.037 -0.365 0.000 0.653 344 A CB -0.516 17.960 19.000 -0.873 0.000 0.833 344 A HN 0.069 nan 8.150 nan 0.000 0.451 345 D N 0.930 121.249 120.400 -0.134 0.000 2.472 345 D HA 0.343 4.967 4.640 -0.027 0.000 0.234 345 D C 0.335 176.620 176.300 -0.026 0.000 1.088 345 D CA 0.017 53.985 54.000 -0.053 0.000 0.882 345 D CB 1.564 42.313 40.800 -0.086 0.000 1.037 345 D HN 0.218 nan 8.370 nan 0.000 0.520 346 V N -0.551 119.385 119.914 0.036 0.000 3.427 346 V HA 0.297 4.401 4.120 -0.027 0.000 0.305 346 V C 1.821 177.851 176.094 -0.106 0.000 1.412 346 V CA 0.151 62.458 62.300 0.013 0.000 1.086 346 V CB 0.522 32.434 31.823 0.149 0.000 0.964 346 V HN 0.355 nan 8.190 nan 0.000 0.439 347 A N 1.222 123.999 122.820 -0.072 0.000 1.940 347 A HA -0.146 4.158 4.320 -0.027 0.000 0.219 347 A C 1.990 179.332 177.584 -0.403 0.000 1.176 347 A CA 2.249 54.200 52.037 -0.144 0.000 0.631 347 A CB -0.477 18.523 19.000 -0.001 0.000 0.814 347 A HN 0.580 nan 8.150 nan 0.000 0.446 348 L N -1.474 119.490 121.223 -0.432 0.000 2.131 348 L HA -0.122 4.202 4.340 -0.027 0.000 0.210 348 L C 2.179 178.717 176.870 -0.554 0.000 1.092 348 L CA 1.673 56.193 54.840 -0.535 0.000 0.759 348 L CB -0.784 41.009 42.059 -0.444 0.000 0.903 348 L HN 0.486 nan 8.230 nan 0.000 0.435 349 Y N -0.469 119.486 120.300 -0.575 0.000 2.165 349 Y HA -0.136 4.397 4.550 -0.028 0.000 0.286 349 Y C 2.507 178.142 175.900 -0.442 0.000 1.155 349 Y CA 1.500 59.182 58.100 -0.695 0.000 1.164 349 Y CB -1.243 36.270 38.460 -1.580 0.000 0.978 349 Y HN 0.230 nan 8.280 nan 0.000 0.513 350 G N -0.649 108.022 108.800 -0.215 0.000 2.404 350 G HA2 -0.201 3.743 3.960 -0.027 0.000 0.215 350 G HA3 -0.201 3.743 3.960 -0.027 0.000 0.215 350 G C 1.856 176.698 174.900 -0.097 0.000 1.174 350 G CA 1.209 46.324 45.100 0.025 0.000 0.780 350 G HN 0.271 nan 8.290 nan 0.000 0.537 351 V N 1.256 120.965 119.914 -0.342 0.000 2.282 351 V HA -0.240 3.864 4.120 -0.027 0.000 0.249 351 V C 2.993 178.997 176.094 -0.151 0.000 1.057 351 V CA 1.936 63.985 62.300 -0.419 0.000 1.032 351 V CB -0.367 30.919 31.823 -0.894 0.000 0.645 351 V HN 0.275 nan 8.190 nan 0.000 0.447 352 M N -0.739 118.771 119.600 -0.151 0.000 2.086 352 M HA -0.142 4.322 4.480 -0.027 0.000 0.261 352 M C 2.042 178.347 176.300 0.008 0.000 1.067 352 M CA 1.642 56.911 55.300 -0.051 0.000 1.116 352 M CB -1.447 31.120 32.600 -0.056 0.000 1.348 352 M HN 0.345 nan 8.290 nan 0.000 0.407 353 D N -0.762 119.653 120.400 0.025 0.000 2.123 353 D HA -0.197 4.427 4.640 -0.027 0.000 0.196 353 D C 1.903 178.222 176.300 0.031 0.000 0.992 353 D CA 1.159 55.170 54.000 0.019 0.000 0.833 353 D CB -0.383 40.452 40.800 0.058 0.000 0.954 353 D HN 0.413 nan 8.370 nan 0.000 0.455 354 Y N 0.944 121.211 120.300 -0.056 0.000 2.114 354 Y HA -0.197 4.332 4.550 -0.034 0.000 0.284 354 Y C 2.039 177.918 175.900 -0.035 0.000 1.143 354 Y CA 1.144 59.218 58.100 -0.044 0.000 1.135 354 Y CB -0.326 38.100 38.460 -0.056 0.000 0.980 354 Y HN -0.120 nan 8.280 nan 0.000 0.499 355 L N 0.711 121.936 121.223 0.003 0.000 2.201 355 L HA -0.115 4.209 4.340 -0.027 0.000 0.212 355 L C 2.051 178.868 176.870 -0.089 0.000 1.105 355 L CA 1.583 56.386 54.840 -0.062 0.000 0.775 355 L CB -0.873 41.207 42.059 0.035 0.000 0.913 355 L HN 0.229 nan 8.230 nan 0.000 0.440 356 R N -1.553 118.910 120.500 -0.061 0.000 2.320 356 R HA 0.089 4.413 4.340 -0.027 0.000 0.211 356 R C 0.250 176.497 176.300 -0.089 0.000 0.931 356 R CA -0.029 56.037 56.100 -0.057 0.000 1.071 356 R CB -0.227 30.060 30.300 -0.022 0.000 1.025 356 R HN 0.207 nan 8.270 nan 0.000 0.495 357 T N 2.573 117.045 114.554 -0.137 0.000 2.889 357 T HA 0.206 4.540 4.350 -0.027 0.000 0.291 357 T C -2.337 172.282 174.700 -0.135 0.000 0.995 357 T CA -1.426 60.591 62.100 -0.138 0.000 1.092 357 T CB 1.372 70.137 68.868 -0.172 0.000 0.954 357 T HN -0.117 nan 8.240 nan 0.000 0.506 358 P HA 0.098 nan 4.420 nan 0.000 0.261 358 P C 0.839 178.084 177.300 -0.093 0.000 1.173 358 P CA 0.039 63.093 63.100 -0.076 0.000 0.760 358 P CB 0.475 32.144 31.700 -0.051 0.000 0.783 359 R N 3.284 123.734 120.500 -0.083 0.000 2.133 359 R HA -0.248 4.076 4.340 -0.027 0.000 0.247 359 R C 1.978 178.244 176.300 -0.056 0.000 1.151 359 R CA 1.982 58.034 56.100 -0.079 0.000 0.971 359 R CB -0.803 29.469 30.300 -0.048 0.000 0.866 359 R HN 0.544 nan 8.270 nan 0.000 0.447 360 A N 0.742 123.539 122.820 -0.038 0.000 2.024 360 A HA -0.116 4.188 4.320 -0.027 0.000 0.220 360 A C 2.156 179.731 177.584 -0.015 0.000 1.164 360 A CA 1.713 53.737 52.037 -0.020 0.000 0.643 360 A CB -0.379 18.612 19.000 -0.015 0.000 0.806 360 A HN 0.428 nan 8.150 nan 0.000 0.451 361 A N -0.841 121.962 122.820 -0.028 0.000 2.218 361 A HA 0.440 4.744 4.320 -0.027 0.000 0.209 361 A C 0.947 178.534 177.584 0.004 0.000 1.168 361 A CA 0.917 52.950 52.037 -0.007 0.000 0.804 361 A CB -0.671 18.324 19.000 -0.009 0.000 0.834 361 A HN 1.177 nan 8.150 nan 0.000 0.482 362 V N -4.237 115.662 119.914 -0.025 0.000 3.141 362 V HA 0.690 4.794 4.120 -0.027 0.000 0.312 362 V C -0.298 175.829 176.094 0.054 0.000 1.157 362 V CA -0.837 61.472 62.300 0.015 0.000 1.041 362 V CB 1.468 33.191 31.823 -0.168 0.000 1.071 362 V HN 0.013 nan 8.190 nan 0.000 0.441 363 S N 1.873 117.649 115.700 0.127 0.000 2.505 363 S HA 0.193 4.647 4.470 -0.027 0.000 0.276 363 S C 0.592 175.257 174.600 0.109 0.000 1.274 363 S CA -0.202 58.063 58.200 0.109 0.000 1.053 363 S CB 0.742 64.015 63.200 0.121 0.000 0.919 363 S HN 0.889 nan 8.310 nan 0.000 0.490 364 D N 2.579 123.021 120.400 0.069 0.000 2.117 364 D HA -0.142 4.482 4.640 -0.027 0.000 0.197 364 D C 1.617 177.963 176.300 0.076 0.000 0.987 364 D CA 1.214 55.250 54.000 0.060 0.000 0.829 364 D CB -0.164 40.659 40.800 0.039 0.000 0.961 364 D HN 0.713 nan 8.370 nan 0.000 0.460 365 D N 0.526 120.970 120.400 0.072 0.000 2.092 365 D HA -0.149 4.475 4.640 -0.027 0.000 0.193 365 D C 2.058 178.413 176.300 0.092 0.000 0.994 365 D CA 1.220 55.262 54.000 0.070 0.000 0.828 365 D CB -0.080 40.754 40.800 0.057 0.000 0.963 365 D HN -0.046 nan 8.370 nan 0.000 0.450 366 V N 0.329 120.313 119.914 0.117 0.000 2.295 366 V HA -0.216 3.888 4.120 -0.027 0.000 0.246 366 V C 2.724 178.939 176.094 0.202 0.000 1.049 366 V CA 2.076 64.460 62.300 0.140 0.000 1.024 366 V CB -0.719 31.195 31.823 0.152 0.000 0.648 366 V HN 0.256 nan 8.190 nan 0.000 0.447 367 R N 0.234 120.892 120.500 0.263 0.000 2.105 367 R HA -0.198 4.126 4.340 -0.027 0.000 0.239 367 R C 2.099 178.514 176.300 0.193 0.000 1.135 367 R CA 2.270 58.552 56.100 0.302 0.000 0.967 367 R CB -0.314 30.082 30.300 0.160 0.000 0.861 367 R HN 0.663 nan 8.270 nan 0.000 0.442 368 N N -0.196 118.582 118.700 0.131 0.000 2.216 368 N HA -0.107 4.617 4.740 -0.027 0.000 0.183 368 N C 1.470 177.042 175.510 0.103 0.000 1.017 368 N CA 1.069 54.179 53.050 0.100 0.000 0.861 368 N CB 0.114 38.644 38.487 0.071 0.000 0.986 368 N HN 0.182 nan 8.380 nan 0.000 0.428 369 K N 0.391 120.854 120.400 0.106 0.000 2.057 369 K HA -0.065 4.239 4.320 -0.027 0.000 0.207 369 K C 1.854 178.538 176.600 0.140 0.000 1.049 369 K CA 0.851 57.194 56.287 0.093 0.000 0.931 369 K CB -0.089 32.456 32.500 0.075 0.000 0.714 369 K HN 0.007 nan 8.250 nan 0.000 0.440 370 V N 1.750 121.789 119.914 0.209 0.000 2.295 370 V HA -0.251 3.853 4.120 -0.027 0.000 0.246 370 V C 2.090 178.367 176.094 0.305 0.000 1.049 370 V CA 1.678 64.184 62.300 0.342 0.000 1.024 370 V CB -0.330 31.655 31.823 0.270 0.000 0.648 370 V HN 0.285 nan 8.190 nan 0.000 0.447 371 K N -0.068 120.453 120.400 0.202 0.000 2.057 371 K HA -0.151 4.153 4.320 -0.027 0.000 0.207 371 K C 2.419 179.095 176.600 0.126 0.000 1.049 371 K CA 1.768 58.145 56.287 0.150 0.000 0.931 371 K CB -0.284 32.283 32.500 0.111 0.000 0.714 371 K HN 0.403 nan 8.250 nan 0.000 0.440 372 S N 0.663 116.425 115.700 0.103 0.000 2.368 372 S HA -0.151 4.303 4.470 -0.027 0.000 0.225 372 S C 1.890 176.515 174.600 0.042 0.000 1.030 372 S CA 1.120 59.358 58.200 0.063 0.000 0.999 372 S CB -0.176 63.050 63.200 0.043 0.000 0.844 372 S HN 0.318 nan 8.310 nan 0.000 0.459 373 R N 0.730 121.254 120.500 0.040 0.000 2.081 373 R HA -0.090 4.234 4.340 -0.027 0.000 0.235 373 R C 2.299 178.603 176.300 0.006 0.000 1.131 373 R CA 1.206 57.264 56.100 -0.070 0.000 0.960 373 R CB -0.469 29.648 30.300 -0.306 0.000 0.856 373 R HN 0.325 nan 8.270 nan 0.000 0.436 374 L N 1.066 122.403 121.223 0.189 0.000 2.012 374 L HA -0.169 4.155 4.340 -0.027 0.000 0.210 374 L C 2.122 179.016 176.870 0.041 0.000 1.073 374 L CA 1.621 56.565 54.840 0.172 0.000 0.748 374 L CB -0.786 41.382 42.059 0.183 0.000 0.891 374 L HN 0.334 nan 8.230 nan 0.000 0.431 375 L N -0.290 120.966 121.223 0.055 0.000 2.042 375 L HA -0.199 4.125 4.340 -0.027 0.000 0.210 375 L C 2.670 179.562 176.870 0.037 0.000 1.076 375 L CA 1.741 56.616 54.840 0.058 0.000 0.749 375 L CB -0.676 41.427 42.059 0.073 0.000 0.893 375 L HN 0.272 nan 8.230 nan 0.000 0.432 376 R N -0.568 119.935 120.500 0.005 0.000 2.096 376 R HA -0.119 4.205 4.340 -0.027 0.000 0.235 376 R C 2.092 178.361 176.300 -0.051 0.000 1.127 376 R CA 1.360 57.450 56.100 -0.017 0.000 0.968 376 R CB -0.397 29.876 30.300 -0.045 0.000 0.861 376 R HN 0.505 nan 8.270 nan 0.000 0.440 377 E N 0.955 121.104 120.200 -0.085 0.000 2.077 377 E HA -0.166 4.168 4.350 -0.027 0.000 0.193 377 E C 2.195 178.682 176.600 -0.188 0.000 0.989 377 E CA 1.003 57.328 56.400 -0.126 0.000 0.800 377 E CB -0.144 29.488 29.700 -0.114 0.000 0.746 377 E HN 0.357 nan 8.360 nan 0.000 0.452 378 L N 1.234 122.302 121.223 -0.260 0.000 2.046 378 L HA -0.194 4.130 4.340 -0.027 0.000 0.208 378 L C 2.144 178.844 176.870 -0.284 0.000 1.077 378 L CA 1.025 55.543 54.840 -0.536 0.000 0.747 378 L CB -0.477 41.212 42.059 -0.617 0.000 0.896 378 L HN -0.004 nan 8.230 nan 0.000 0.432 379 D N 0.454 120.845 120.400 -0.014 0.000 2.133 379 D HA -0.200 4.424 4.640 -0.027 0.000 0.195 379 D C 2.223 178.559 176.300 0.061 0.000 0.997 379 D CA 1.644 55.732 54.000 0.147 0.000 0.840 379 D CB -0.069 40.819 40.800 0.146 0.000 0.947 379 D HN 0.325 nan 8.370 nan 0.000 0.452 380 A N 0.597 123.414 122.820 -0.005 0.000 1.902 380 A HA -0.134 4.170 4.320 -0.027 0.000 0.217 380 A C 2.432 180.013 177.584 -0.004 0.000 1.181 380 A CA 0.978 53.007 52.037 -0.013 0.000 0.623 380 A CB -0.774 18.198 19.000 -0.046 0.000 0.818 380 A HN 0.225 nan 8.150 nan 0.000 0.443 381 L N -0.929 120.282 121.223 -0.021 0.000 2.093 381 L HA -0.185 4.139 4.340 -0.027 0.000 0.208 381 L C 3.102 180.044 176.870 0.119 0.000 1.085 381 L CA 0.998 55.863 54.840 0.043 0.000 0.755 381 L CB -0.595 41.498 42.059 0.056 0.000 0.904 381 L HN 0.456 nan 8.230 nan 0.000 0.435 382 A N 0.153 123.070 122.820 0.161 0.000 1.902 382 A HA -0.169 4.135 4.320 -0.027 0.000 0.217 382 A C 2.546 180.179 177.584 0.081 0.000 1.181 382 A CA 1.701 53.806 52.037 0.114 0.000 0.623 382 A CB -0.645 18.443 19.000 0.148 0.000 0.818 382 A HN 0.399 nan 8.150 nan 0.000 0.443 383 A N -0.512 122.355 122.820 0.079 0.000 1.902 383 A HA -0.144 4.160 4.320 -0.027 0.000 0.217 383 A C 2.258 179.870 177.584 0.047 0.000 1.181 383 A CA 1.836 53.909 52.037 0.059 0.000 0.623 383 A CB -0.563 18.466 19.000 0.048 0.000 0.818 383 A HN 0.543 nan 8.150 nan 0.000 0.443 384 M N -0.564 119.059 119.600 0.038 0.000 2.080 384 M HA -0.202 4.262 4.480 -0.027 0.000 0.260 384 M C 2.572 178.904 176.300 0.054 0.000 1.068 384 M CA 1.652 56.973 55.300 0.036 0.000 1.109 384 M CB -0.489 32.113 32.600 0.003 0.000 1.342 384 M HN 0.489 nan 8.290 nan 0.000 0.405 385 A N -0.129 122.706 122.820 0.025 0.000 1.902 385 A HA -0.229 4.075 4.320 -0.027 0.000 0.217 385 A C 1.944 179.565 177.584 0.062 0.000 1.181 385 A CA 2.049 54.095 52.037 0.015 0.000 0.623 385 A CB -0.833 18.135 19.000 -0.053 0.000 0.818 385 A HN 0.585 nan 8.150 nan 0.000 0.443 386 E N -0.097 120.134 120.200 0.052 0.000 2.118 386 E HA -0.153 4.181 4.350 -0.027 0.000 0.195 386 E C 2.029 178.664 176.600 0.059 0.000 0.992 386 E CA 1.443 57.874 56.400 0.052 0.000 0.804 386 E CB -0.085 29.643 29.700 0.047 0.000 0.741 386 E HN 0.563 nan 8.360 nan 0.000 0.458 387 S N -0.864 114.877 115.700 0.068 0.000 2.406 387 S HA -0.094 4.360 4.470 -0.027 0.000 0.228 387 S C 0.499 175.144 174.600 0.074 0.000 1.020 387 S CA 0.361 58.598 58.200 0.061 0.000 0.965 387 S CB -0.256 62.979 63.200 0.059 0.000 0.798 387 S HN 0.381 nan 8.310 nan 0.000 0.488 388 H N 2.631 121.716 119.070 0.025 0.000 2.683 388 H HA 0.153 4.693 4.556 -0.027 0.000 0.339 388 H C -1.515 173.823 175.328 0.017 0.000 1.081 388 H CA -1.560 54.510 56.048 0.036 0.000 1.432 388 H CB 1.069 30.854 29.762 0.038 0.000 1.462 388 H HN -0.060 nan 8.280 nan 0.000 0.557 389 P HA -0.153 nan 4.420 nan 0.000 0.220 389 P C 0.389 177.567 177.300 -0.204 0.000 1.148 389 P CA 1.216 64.194 63.100 -0.204 0.000 0.803 389 P CB 0.195 31.651 31.700 -0.408 0.000 0.782 390 F N -0.575 119.425 119.950 0.084 0.000 2.732 390 F HA 0.393 4.904 4.527 -0.027 0.000 0.303 390 F C 1.744 177.628 175.800 0.139 0.000 1.110 390 F CA 0.551 58.523 58.000 -0.047 0.000 1.355 390 F CB -0.652 38.103 39.000 -0.408 0.000 1.081 390 F HN 0.002 nan 8.300 nan 0.000 0.565 391 G N 1.865 110.842 108.800 0.295 0.000 2.179 391 G HA2 -0.320 3.624 3.960 -0.027 0.000 0.257 391 G HA3 -0.320 3.624 3.960 -0.027 0.000 0.257 391 G C 0.299 175.203 174.900 0.007 0.000 1.010 391 G CA 0.430 45.623 45.100 0.154 0.000 0.736 391 G HN 0.519 nan 8.290 nan 0.000 0.513 392 I N -2.199 118.297 120.570 -0.123 0.000 2.488 392 I HA 0.649 4.803 4.170 -0.027 0.000 0.299 392 I C -2.024 173.901 176.117 -0.321 0.000 0.984 392 I CA -3.229 57.882 61.300 -0.315 0.000 1.250 392 I CB 1.906 39.585 38.000 -0.535 0.000 1.389 392 I HN -0.114 nan 8.210 nan 0.000 0.488 393 P HA 0.239 nan 4.420 nan 0.000 0.237 393 P C -1.060 176.094 177.300 -0.245 0.000 1.788 393 P CA 0.218 63.218 63.100 -0.166 0.000 1.061 393 P CB 0.150 31.813 31.700 -0.060 0.000 1.967 394 M N 1.754 121.185 119.600 -0.283 0.000 2.484 394 M HA 0.433 4.897 4.480 -0.027 0.000 0.289 394 M C 0.164 176.445 176.300 -0.031 0.000 1.206 394 M CA -0.613 54.496 55.300 -0.318 0.000 0.892 394 M CB 3.327 35.560 32.600 -0.610 0.000 1.712 394 M HN 0.079 nan 8.290 nan 0.000 0.462 395 R N 0.067 120.555 120.500 -0.021 0.000 2.873 395 R HA 0.383 4.707 4.340 -0.027 0.000 0.264 395 R C 0.151 176.587 176.300 0.227 0.000 1.026 395 R CA -0.934 55.243 56.100 0.128 0.000 1.002 395 R CB 1.136 31.468 30.300 0.052 0.000 1.174 395 R HN 0.537 nan 8.270 nan 0.000 0.488 396 D N 1.276 121.832 120.400 0.260 0.000 2.158 396 D HA -0.189 4.435 4.640 -0.027 0.000 0.197 396 D C 1.156 177.603 176.300 0.246 0.000 0.995 396 D CA 1.698 55.878 54.000 0.300 0.000 0.846 396 D CB -0.086 40.794 40.800 0.134 0.000 0.941 396 D HN 0.585 nan 8.370 nan 0.000 0.456 397 D N -0.355 120.114 120.400 0.114 0.000 2.363 397 D HA -0.105 4.519 4.640 -0.027 0.000 0.220 397 D C 0.850 177.167 176.300 0.027 0.000 0.994 397 D CA 0.430 54.470 54.000 0.066 0.000 0.890 397 D CB -0.275 40.556 40.800 0.051 0.000 0.906 397 D HN 0.106 nan 8.370 nan 0.000 0.530 398 D N -0.323 120.037 120.400 -0.067 0.000 2.347 398 D HA -0.036 4.588 4.640 -0.027 0.000 0.213 398 D C -0.049 176.036 176.300 -0.358 0.000 0.985 398 D CA 0.166 54.016 54.000 -0.251 0.000 0.879 398 D CB -0.182 40.365 40.800 -0.420 0.000 0.919 398 D HN 0.266 nan 8.370 nan 0.000 0.526 399 F N 2.005 121.920 119.950 -0.058 0.000 2.652 399 F HA 0.218 4.729 4.527 -0.026 0.000 0.352 399 F C 1.095 176.874 175.800 -0.036 0.000 1.259 399 F CA -0.485 57.469 58.000 -0.075 0.000 1.249 399 F CB -0.543 38.408 39.000 -0.082 0.000 1.628 399 F HN -0.140 nan 8.300 nan 0.000 0.654 400 I N -2.829 117.804 120.570 0.105 0.000 3.449 400 I HA 0.479 4.633 4.170 -0.027 0.000 0.294 400 I C -0.136 176.120 176.117 0.233 0.000 1.163 400 I CA -1.237 60.203 61.300 0.234 0.000 1.010 400 I CB 0.757 38.908 38.000 0.251 0.000 1.307 400 I HN 0.117 nan 8.210 nan 0.000 0.518 401 W N 2.701 124.080 121.300 0.133 0.000 2.443 401 W HA 0.192 4.836 4.660 -0.026 0.000 0.335 401 W C 1.041 177.609 176.519 0.081 0.000 1.382 401 W CA 1.403 58.827 57.345 0.132 0.000 1.305 401 W CB -0.270 29.317 29.460 0.212 0.000 1.283 401 W HN 0.944 nan 8.180 nan 0.000 0.567 402 G N 3.504 112.463 108.800 0.265 0.000 2.198 402 G HA2 -0.354 3.590 3.960 -0.027 0.000 0.257 402 G HA3 -0.354 3.590 3.960 -0.027 0.000 0.257 402 G C 1.155 175.860 174.900 -0.324 0.000 1.042 402 G CA 0.794 45.702 45.100 -0.320 0.000 0.791 402 G HN 1.031 nan 8.290 nan 0.000 0.502 403 S N -0.631 114.926 115.700 -0.237 0.000 2.400 403 S HA -0.197 4.257 4.470 -0.027 0.000 0.232 403 S C 1.777 176.162 174.600 -0.358 0.000 1.025 403 S CA 1.759 59.802 58.200 -0.261 0.000 0.993 403 S CB -0.463 62.661 63.200 -0.127 0.000 0.808 403 S HN 0.724 nan 8.310 nan 0.000 0.478 404 N N 0.829 119.271 118.700 -0.430 0.000 2.149 404 N HA -0.033 4.691 4.740 -0.027 0.000 0.188 404 N C 1.922 177.228 175.510 -0.340 0.000 1.019 404 N CA 1.496 54.305 53.050 -0.402 0.000 0.857 404 N CB -0.258 37.950 38.487 -0.465 0.000 0.997 404 N HN 0.420 nan 8.380 nan 0.000 0.426 405 M N 0.759 120.124 119.600 -0.392 0.000 2.200 405 M HA -0.091 4.373 4.480 -0.027 0.000 0.265 405 M C 1.702 177.936 176.300 -0.111 0.000 1.066 405 M CA 1.092 56.298 55.300 -0.157 0.000 1.127 405 M CB 0.065 32.675 32.600 0.017 0.000 1.379 405 M HN -0.019 nan 8.290 nan 0.000 0.420 406 V N 1.342 121.153 119.914 -0.173 0.000 2.282 406 V HA -0.300 3.804 4.120 -0.027 0.000 0.249 406 V C 2.434 178.390 176.094 -0.231 0.000 1.057 406 V CA 1.831 64.017 62.300 -0.189 0.000 1.032 406 V CB -1.050 30.625 31.823 -0.247 0.000 0.645 406 V HN 0.544 nan 8.190 nan 0.000 0.447 407 L N -0.255 120.786 121.223 -0.304 0.000 1.994 407 L HA -0.131 4.192 4.340 -0.027 0.000 0.208 407 L C 2.216 178.957 176.870 -0.215 0.000 1.071 407 L CA 1.910 56.557 54.840 -0.321 0.000 0.745 407 L CB -0.690 41.114 42.059 -0.424 0.000 0.892 407 L HN 0.202 nan 8.230 nan 0.000 0.431 408 L N -0.205 120.913 121.223 -0.175 0.000 2.046 408 L HA -0.214 4.110 4.340 -0.027 0.000 0.208 408 L C 2.351 179.179 176.870 -0.070 0.000 1.077 408 L CA 1.186 55.962 54.840 -0.105 0.000 0.747 408 L CB -0.846 41.174 42.059 -0.066 0.000 0.896 408 L HN 0.372 nan 8.230 nan 0.000 0.432 409 N N 0.282 118.935 118.700 -0.077 0.000 2.104 409 N HA -0.167 4.557 4.740 -0.027 0.000 0.190 409 N C 1.914 177.349 175.510 -0.125 0.000 1.024 409 N CA 1.262 54.248 53.050 -0.105 0.000 0.853 409 N CB -0.210 38.217 38.487 -0.099 0.000 1.008 409 N HN 0.295 nan 8.380 nan 0.000 0.424 410 R N 0.468 120.904 120.500 -0.108 0.000 2.066 410 R HA 0.063 4.386 4.340 -0.027 0.000 0.232 410 R C 2.227 178.570 176.300 0.072 0.000 1.131 410 R CA 1.250 57.313 56.100 -0.062 0.000 0.955 410 R CB -0.367 29.886 30.300 -0.078 0.000 0.851 410 R HN 0.183 nan 8.270 nan 0.000 0.432 411 A N 1.305 124.143 122.820 0.030 0.000 1.908 411 A HA -0.235 4.069 4.320 -0.027 0.000 0.218 411 A C 2.175 179.826 177.584 0.112 0.000 1.181 411 A CA 1.638 53.714 52.037 0.065 0.000 0.627 411 A CB -0.530 18.442 19.000 -0.047 0.000 0.818 411 A HN 0.347 nan 8.150 nan 0.000 0.445 412 M N -0.356 119.264 119.600 0.034 0.000 2.108 412 M HA -0.152 4.312 4.480 -0.027 0.000 0.261 412 M C 2.223 178.458 176.300 -0.108 0.000 1.066 412 M CA 1.759 57.039 55.300 -0.033 0.000 1.107 412 M CB -0.244 32.205 32.600 -0.251 0.000 1.356 412 M HN 0.428 nan 8.290 nan 0.000 0.406 413 A N 0.089 122.830 122.820 -0.132 0.000 1.902 413 A HA -0.174 4.130 4.320 -0.027 0.000 0.217 413 A C 1.786 179.299 177.584 -0.120 0.000 1.181 413 A CA 1.655 53.577 52.037 -0.192 0.000 0.623 413 A CB -1.282 17.566 19.000 -0.254 0.000 0.818 413 A HN 0.589 nan 8.150 nan 0.000 0.443 414 F N -0.024 119.877 119.950 -0.082 0.000 2.120 414 F HA -0.187 4.325 4.527 -0.026 0.000 0.300 414 F C 2.144 177.951 175.800 0.013 0.000 1.095 414 F CA 1.736 59.705 58.000 -0.051 0.000 1.249 414 F CB -0.370 38.574 39.000 -0.093 0.000 0.995 414 F HN 0.113 nan 8.300 nan 0.000 0.480 415 L N -0.953 120.415 121.223 0.242 0.000 2.131 415 L HA -0.169 4.155 4.340 -0.027 0.000 0.206 415 L C 2.318 179.381 176.870 0.322 0.000 1.087 415 L CA 0.731 55.745 54.840 0.289 0.000 0.767 415 L CB -0.669 41.644 42.059 0.422 0.000 0.917 415 L HN 0.140 nan 8.230 nan 0.000 0.441 416 L N -0.099 121.203 121.223 0.132 0.000 2.012 416 L HA -0.232 4.091 4.340 -0.027 0.000 0.210 416 L C 2.916 179.907 176.870 0.202 0.000 1.073 416 L CA 1.284 56.130 54.840 0.009 0.000 0.748 416 L CB -0.765 41.168 42.059 -0.211 0.000 0.891 416 L HN 0.262 nan 8.230 nan 0.000 0.431 417 A N -0.112 122.777 122.820 0.115 0.000 1.948 417 A HA -0.250 4.054 4.320 -0.027 0.000 0.220 417 A C 2.101 179.791 177.584 0.176 0.000 1.177 417 A CA 1.821 53.926 52.037 0.113 0.000 0.636 417 A CB -0.519 18.516 19.000 0.058 0.000 0.815 417 A HN 0.512 nan 8.150 nan 0.000 0.449 418 E N -0.845 119.498 120.200 0.238 0.000 2.265 418 E HA -0.122 4.212 4.350 -0.027 0.000 0.196 418 E C 1.840 178.561 176.600 0.202 0.000 0.996 418 E CA 0.606 57.149 56.400 0.238 0.000 0.832 418 E CB -0.290 29.590 29.700 0.300 0.000 0.756 418 E HN 0.653 nan 8.360 nan 0.000 0.491 419 G N 0.993 109.945 108.800 0.254 0.000 2.712 419 G HA2 -0.069 3.874 3.960 -0.027 0.000 0.212 419 G HA3 -0.069 3.874 3.960 -0.027 0.000 0.212 419 G C 1.198 176.134 174.900 0.060 0.000 1.142 419 G CA 0.568 45.726 45.100 0.096 0.000 0.789 419 G HN 0.239 nan 8.290 nan 0.000 0.535 420 V N -3.921 116.050 119.914 0.096 0.000 2.909 420 V HA 0.671 4.775 4.120 -0.027 0.000 0.362 420 V C 1.107 177.236 176.094 0.060 0.000 1.356 420 V CA -0.081 62.255 62.300 0.060 0.000 1.195 420 V CB -0.263 31.597 31.823 0.062 0.000 1.256 420 V HN 0.778 nan 8.190 nan 0.000 0.567 421 G N 0.415 109.253 108.800 0.065 0.000 2.148 421 G HA2 -0.206 3.738 3.960 -0.027 0.000 0.254 421 G HA3 -0.206 3.738 3.960 -0.027 0.000 0.254 421 G C 0.061 175.006 174.900 0.075 0.000 0.981 421 G CA 0.180 45.317 45.100 0.061 0.000 0.670 421 G HN 1.126 nan 8.290 nan 0.000 0.528 422 V N 1.607 121.577 119.914 0.094 0.000 2.275 422 V HA 0.492 4.596 4.120 -0.027 0.000 0.272 422 V C -0.107 176.071 176.094 0.140 0.000 1.028 422 V CA -0.727 61.635 62.300 0.104 0.000 0.810 422 V CB 1.211 33.090 31.823 0.094 0.000 1.043 422 V HN 0.189 nan 8.190 nan 0.000 0.453 423 L N 4.804 126.108 121.223 0.135 0.000 2.353 423 L HA 0.404 4.728 4.340 -0.027 0.000 0.269 423 L C 0.320 177.298 176.870 0.180 0.000 1.085 423 L CA -0.178 54.761 54.840 0.165 0.000 0.938 423 L CB -0.344 41.790 42.059 0.125 0.000 1.312 423 L HN 0.530 nan 8.230 nan 0.000 0.429 424 H N 5.391 124.567 119.070 0.176 0.000 2.722 424 H HA 0.202 4.742 4.556 -0.027 0.000 0.328 424 H C -1.472 173.972 175.328 0.193 0.000 1.067 424 H CA -1.388 54.781 56.048 0.202 0.000 1.447 424 H CB 1.759 31.706 29.762 0.309 0.000 1.469 424 H HN 0.296 nan 8.280 nan 0.000 0.544 425 P HA -0.082 nan 4.420 nan 0.000 0.225 425 P C 0.778 178.208 177.300 0.216 0.000 1.148 425 P CA 1.003 64.172 63.100 0.114 0.000 0.779 425 P CB 0.162 31.854 31.700 -0.013 0.000 0.780 426 A N -0.341 122.739 122.820 0.432 0.000 2.218 426 A HA 0.372 4.676 4.320 -0.027 0.000 0.209 426 A C 2.270 179.734 177.584 -0.200 0.000 1.168 426 A CA 0.774 52.870 52.037 0.097 0.000 0.804 426 A CB -0.844 18.168 19.000 0.020 0.000 0.834 426 A HN 0.173 nan 8.150 nan 0.000 0.482 427 A N -0.155 122.645 122.820 -0.033 0.000 1.873 427 A HA -0.247 4.056 4.320 -0.027 0.000 0.218 427 A C 2.025 179.430 177.584 -0.298 0.000 1.193 427 A CA 1.792 53.713 52.037 -0.193 0.000 0.629 427 A CB -0.904 18.154 19.000 0.095 0.000 0.826 427 A HN 0.664 nan 8.150 nan 0.000 0.447 428 H N -1.116 117.937 119.070 -0.029 0.000 2.482 428 H HA -0.015 4.525 4.556 -0.027 0.000 0.286 428 H C 2.200 177.497 175.328 -0.053 0.000 1.017 428 H CA 1.503 57.538 56.048 -0.021 0.000 1.322 428 H CB -0.191 29.584 29.762 0.021 0.000 1.426 428 H HN 0.503 nan 8.280 nan 0.000 0.546 429 T N 0.732 115.295 114.554 0.015 0.000 2.737 429 T HA -0.092 4.242 4.350 -0.027 0.000 0.265 429 T C 2.419 177.061 174.700 -0.095 0.000 1.038 429 T CA 1.001 63.089 62.100 -0.021 0.000 1.144 429 T CB -0.401 68.453 68.868 -0.023 0.000 0.866 429 T HN 0.061 nan 8.240 nan 0.000 0.434 430 V N 1.774 121.541 119.914 -0.244 0.000 2.332 430 V HA -0.202 3.902 4.120 -0.027 0.000 0.248 430 V C 2.900 178.861 176.094 -0.222 0.000 1.055 430 V CA 1.771 63.877 62.300 -0.323 0.000 1.038 430 V CB -1.211 30.200 31.823 -0.687 0.000 0.651 430 V HN 0.547 nan 8.190 nan 0.000 0.450 431 A N -0.606 122.095 122.820 -0.198 0.000 1.902 431 A HA -0.311 3.993 4.320 -0.027 0.000 0.217 431 A C 2.173 179.687 177.584 -0.116 0.000 1.181 431 A CA 2.253 54.203 52.037 -0.144 0.000 0.623 431 A CB -0.556 18.365 19.000 -0.131 0.000 0.818 431 A HN 0.549 nan 8.150 nan 0.000 0.443 432 Q N -0.441 119.329 119.800 -0.050 0.000 2.050 432 Q HA -0.134 4.190 4.340 -0.027 0.000 0.202 432 Q C 2.174 178.175 176.000 0.002 0.000 0.980 432 Q CA 1.620 57.424 55.803 0.003 0.000 0.840 432 Q CB -0.196 28.592 28.738 0.084 0.000 0.898 432 Q HN 0.484 nan 8.270 nan 0.000 0.424 433 R N -0.070 120.437 120.500 0.012 0.000 2.096 433 R HA -0.005 4.319 4.340 -0.027 0.000 0.235 433 R C 2.103 178.367 176.300 -0.060 0.000 1.127 433 R CA 1.190 57.320 56.100 0.049 0.000 0.968 433 R CB -1.119 29.212 30.300 0.052 0.000 0.861 433 R HN 0.413 nan 8.270 nan 0.000 0.440 434 A N 1.179 123.912 122.820 -0.146 0.000 1.877 434 A HA -0.087 4.217 4.320 -0.027 0.000 0.216 434 A C 2.403 179.822 177.584 -0.275 0.000 1.186 434 A CA 1.921 53.833 52.037 -0.209 0.000 0.620 434 A CB -0.631 18.238 19.000 -0.218 0.000 0.822 434 A HN 0.335 nan 8.150 nan 0.000 0.443 435 A N 0.026 122.629 122.820 -0.362 0.000 1.877 435 A HA -0.188 4.116 4.320 -0.027 0.000 0.216 435 A C 1.791 179.013 177.584 -0.602 0.000 1.186 435 A CA 1.900 53.523 52.037 -0.690 0.000 0.620 435 A CB -0.668 17.937 19.000 -0.658 0.000 0.822 435 A HN 0.471 nan 8.150 nan 0.000 0.443 436 D N -1.412 118.865 120.400 -0.205 0.000 2.106 436 D HA -0.211 4.413 4.640 -0.027 0.000 0.191 436 D C 1.716 177.940 176.300 -0.127 0.000 0.997 436 D CA 1.883 55.871 54.000 -0.020 0.000 0.834 436 D CB -0.628 40.304 40.800 0.221 0.000 0.956 436 D HN 0.628 nan 8.370 nan 0.000 0.448 437 Y N 0.937 121.054 120.300 -0.305 0.000 2.128 437 Y HA -0.232 4.303 4.550 -0.027 0.000 0.284 437 Y C 2.279 178.008 175.900 -0.286 0.000 1.154 437 Y CA 1.218 59.092 58.100 -0.377 0.000 1.149 437 Y CB -0.413 37.822 38.460 -0.376 0.000 0.976 437 Y HN -0.069 nan 8.280 nan 0.000 0.505 438 L N -0.800 120.309 121.223 -0.190 0.000 2.127 438 L HA -0.188 4.135 4.340 -0.027 0.000 0.211 438 L C 1.063 177.829 176.870 -0.173 0.000 1.089 438 L CA 1.654 56.358 54.840 -0.227 0.000 0.757 438 L CB -0.637 41.123 42.059 -0.498 0.000 0.899 438 L HN 0.228 nan 8.230 nan 0.000 0.434 439 F N -0.858 118.968 119.950 -0.207 0.000 2.639 439 F HA 0.492 5.003 4.527 -0.027 0.000 0.300 439 F C 1.667 177.286 175.800 -0.302 0.000 1.109 439 F CA -0.158 57.705 58.000 -0.228 0.000 1.335 439 F CB -0.090 38.803 39.000 -0.179 0.000 1.014 439 F HN 0.095 nan 8.300 nan 0.000 0.537 440 G N -0.368 108.286 108.800 -0.244 0.000 2.318 440 G HA2 -0.011 3.933 3.960 -0.027 0.000 0.172 440 G HA3 -0.011 3.933 3.960 -0.027 0.000 0.172 440 G C 0.473 175.213 174.900 -0.267 0.000 1.002 440 G CA -0.300 44.606 45.100 -0.323 0.000 0.697 440 G HN 0.452 nan 8.290 nan 0.000 0.483 441 A N 0.912 123.558 122.820 -0.290 0.000 2.990 441 A HA 0.650 4.954 4.320 -0.027 0.000 0.282 441 A C 0.410 177.376 177.584 -1.031 0.000 1.688 441 A CA 0.815 52.651 52.037 -0.337 0.000 1.391 441 A CB -1.071 17.766 19.000 -0.272 0.000 1.112 441 A HN 1.435 nan 8.150 nan 0.000 0.588 442 N N -0.695 117.395 118.700 -1.017 0.000 2.927 442 N HA 0.498 5.222 4.740 -0.027 0.000 0.248 442 N C -2.967 172.012 175.510 -0.885 0.000 1.443 442 N CA -1.653 50.528 53.050 -1.450 0.000 0.870 442 N CB 0.772 38.526 38.487 -1.220 0.000 1.444 442 N HN -0.158 nan 8.380 nan 0.000 0.519 443 P HA -0.014 nan 4.420 nan 0.000 0.221 443 P C 0.615 177.882 177.300 -0.054 0.000 1.145 443 P CA 1.013 63.980 63.100 -0.221 0.000 0.795 443 P CB 0.223 31.934 31.700 0.018 0.000 0.775 444 L N -2.491 118.695 121.223 -0.061 0.000 2.591 444 L HA 0.250 4.574 4.340 -0.027 0.000 0.228 444 L C 1.378 178.330 176.870 0.137 0.000 1.133 444 L CA 0.464 55.341 54.840 0.063 0.000 0.880 444 L CB -1.052 41.009 42.059 0.003 0.000 1.033 444 L HN 0.072 nan 8.230 nan 0.000 0.450 445 G N 1.122 110.064 108.800 0.236 0.000 2.283 445 G HA2 -0.344 3.600 3.960 -0.027 0.000 0.280 445 G HA3 -0.344 3.600 3.960 -0.027 0.000 0.280 445 G C 0.128 174.942 174.900 -0.143 0.000 1.029 445 G CA 0.418 45.636 45.100 0.197 0.000 0.840 445 G HN 0.417 nan 8.290 nan 0.000 0.505 446 Q N -0.339 119.230 119.800 -0.386 0.000 2.303 446 Q HA 0.536 4.860 4.340 -0.027 0.000 0.257 446 Q C 0.417 175.927 176.000 -0.818 0.000 0.941 446 Q CA -0.718 54.713 55.803 -0.619 0.000 0.931 446 Q CB 0.849 29.045 28.738 -0.903 0.000 1.215 446 Q HN 0.588 nan 8.270 nan 0.000 0.437 447 C N 6.010 125.010 119.300 -0.500 0.000 2.566 447 C HA 0.270 4.714 4.460 -0.027 0.000 0.393 447 C C 0.097 174.855 174.990 -0.386 0.000 1.309 447 C CA -0.306 58.502 59.018 -0.350 0.000 1.801 447 C CB -0.952 26.698 27.740 -0.150 0.000 2.493 447 C HN 0.944 nan 8.230 nan 0.000 0.575 448 Y N 3.892 124.089 120.300 -0.172 0.000 2.495 448 Y HA 0.284 4.818 4.550 -0.027 0.000 0.293 448 Y C 0.810 176.638 175.900 -0.119 0.000 1.186 448 Y CA 0.131 58.096 58.100 -0.225 0.000 1.266 448 Y CB -0.102 38.170 38.460 -0.313 0.000 1.101 448 Y HN 0.496 nan 8.280 nan 0.000 0.517 449 V N 0.310 120.260 119.914 0.059 0.000 2.495 449 V HA 0.258 4.362 4.120 -0.027 0.000 0.298 449 V C 0.240 176.361 176.094 0.044 0.000 1.031 449 V CA -1.389 60.935 62.300 0.039 0.000 0.871 449 V CB 1.609 33.463 31.823 0.052 0.000 0.988 449 V HN 0.295 nan 8.190 nan 0.000 0.432 450 T N 0.735 115.285 114.554 -0.006 0.000 2.940 450 T HA 0.434 4.768 4.350 -0.027 0.000 0.309 450 T C 1.253 175.996 174.700 0.073 0.000 1.056 450 T CA 0.562 62.650 62.100 -0.021 0.000 1.137 450 T CB 0.933 69.733 68.868 -0.114 0.000 0.976 450 T HN 2.066 nan 8.240 nan 0.000 0.547 451 G N 1.331 110.120 108.800 -0.017 0.000 2.159 451 G HA2 -0.190 3.754 3.960 -0.027 0.000 0.256 451 G HA3 -0.190 3.754 3.960 -0.027 0.000 0.256 451 G C -0.131 174.496 174.900 -0.454 0.000 0.977 451 G CA 0.086 45.088 45.100 -0.164 0.000 0.652 451 G HN 0.772 nan 8.290 nan 0.000 0.531 452 F N -0.395 119.491 119.950 -0.107 0.000 2.613 452 F HA 0.652 5.163 4.527 -0.026 0.000 0.314 452 F C 0.872 176.581 175.800 -0.153 0.000 1.075 452 F CA 0.292 58.204 58.000 -0.147 0.000 0.945 452 F CB 1.929 40.795 39.000 -0.223 0.000 1.310 452 F HN 1.051 nan 8.300 nan 0.000 0.467 453 G N 1.825 110.638 108.800 0.020 0.000 2.782 453 G HA2 -0.188 3.756 3.960 -0.027 0.000 0.228 453 G HA3 -0.188 3.756 3.960 -0.027 0.000 0.228 453 G C -0.142 174.729 174.900 -0.048 0.000 1.372 453 G CA -0.247 44.825 45.100 -0.045 0.000 0.862 453 G HN 0.597 nan 8.290 nan 0.000 0.547 454 Q N -0.497 119.271 119.800 -0.054 0.000 2.339 454 Q HA 0.208 4.532 4.340 -0.027 0.000 0.205 454 Q C 1.994 177.967 176.000 -0.045 0.000 0.925 454 Q CA 1.320 57.111 55.803 -0.022 0.000 0.898 454 Q CB 0.360 29.122 28.738 0.040 0.000 1.013 454 Q HN 0.526 nan 8.270 nan 0.000 0.504 455 R N 1.407 121.856 120.500 -0.084 0.000 2.724 455 R HA 0.259 4.583 4.340 -0.027 0.000 0.284 455 R C -2.635 173.596 176.300 -0.115 0.000 1.481 455 R CA -1.992 54.053 56.100 -0.091 0.000 1.652 455 R CB 0.628 30.868 30.300 -0.099 0.000 1.175 455 R HN 0.029 nan 8.270 nan 0.000 0.613 456 P HA 0.004 nan 4.420 nan 0.000 0.274 456 P C -0.174 177.071 177.300 -0.092 0.000 1.246 456 P CA -0.245 62.804 63.100 -0.086 0.000 0.795 456 P CB 1.062 32.717 31.700 -0.074 0.000 1.006 457 V N 3.637 123.510 119.914 -0.068 0.000 2.521 457 V HA 0.050 4.154 4.120 -0.027 0.000 0.286 457 V C 1.845 177.861 176.094 -0.130 0.000 1.034 457 V CA 0.436 62.713 62.300 -0.038 0.000 1.045 457 V CB -0.046 31.795 31.823 0.029 0.000 0.974 457 V HN 0.555 nan 8.190 nan 0.000 0.480 458 R N 2.443 122.776 120.500 -0.278 0.000 2.316 458 R HA 0.186 4.510 4.340 -0.027 0.000 0.201 458 R C 0.117 176.041 176.300 -0.627 0.000 0.888 458 R CA 0.299 56.069 56.100 -0.549 0.000 1.041 458 R CB 0.413 30.198 30.300 -0.857 0.000 1.115 458 R HN 0.784 nan 8.270 nan 0.000 0.559 459 H N 1.232 120.301 119.070 -0.002 0.000 2.535 459 H HA 0.312 4.852 4.556 -0.027 0.000 0.232 459 H C -2.397 172.961 175.328 0.049 0.000 1.405 459 H CA -2.175 53.870 56.048 -0.005 0.000 1.224 459 H CB 0.895 30.616 29.762 -0.068 0.000 1.763 459 H HN 0.016 nan 8.280 nan 0.000 0.529 460 P HA -0.015 nan 4.420 nan 0.000 0.272 460 P C 0.182 177.608 177.300 0.210 0.000 1.223 460 P CA -0.177 63.020 63.100 0.162 0.000 0.784 460 P CB 1.203 32.952 31.700 0.082 0.000 0.923 461 H N 1.721 120.890 119.070 0.165 0.000 3.216 461 H HA 0.178 4.718 4.556 -0.027 0.000 0.263 461 H C -0.729 174.710 175.328 0.185 0.000 1.601 461 H CA 0.439 56.585 56.048 0.163 0.000 1.509 461 H CB -1.234 28.637 29.762 0.183 0.000 1.759 461 H HN 0.402 nan 8.280 nan 0.000 0.533 462 H N 2.729 121.722 119.070 -0.128 0.000 3.224 462 H HA 0.242 4.782 4.556 -0.027 0.000 0.331 462 H C 0.504 175.765 175.328 -0.112 0.000 1.002 462 H CA -0.742 55.253 56.048 -0.089 0.000 1.473 462 H CB 0.564 30.322 29.762 -0.007 0.000 1.830 462 H HN 0.534 nan 8.280 nan 0.000 0.485 463 R N 3.582 123.794 120.500 -0.480 0.000 2.083 463 R HA -0.074 4.250 4.340 -0.027 0.000 0.237 463 R C -0.993 175.196 176.300 -0.185 0.000 1.137 463 R CA 1.979 57.878 56.100 -0.335 0.000 0.951 463 R CB -0.879 29.161 30.300 -0.434 0.000 0.851 463 R HN 0.477 nan 8.270 nan 0.000 0.434 464 P HA -0.070 nan 4.420 nan 0.000 0.218 464 P C 0.855 178.255 177.300 0.166 0.000 1.148 464 P CA 1.401 64.504 63.100 0.005 0.000 0.822 464 P CB 0.147 31.869 31.700 0.037 0.000 0.784 465 S N -0.888 114.895 115.700 0.138 0.000 2.357 465 S HA -0.073 4.381 4.470 -0.027 0.000 0.221 465 S C 1.997 176.721 174.600 0.206 0.000 1.031 465 S CA 1.016 59.379 58.200 0.271 0.000 0.982 465 S CB -1.137 62.222 63.200 0.265 0.000 0.853 465 S HN -0.047 nan 8.310 nan 0.000 0.458 466 V N 2.278 122.254 119.914 0.103 0.000 2.343 466 V HA -0.194 3.910 4.120 -0.027 0.000 0.247 466 V C 2.656 178.796 176.094 0.076 0.000 1.051 466 V CA 1.693 64.034 62.300 0.068 0.000 1.036 466 V CB -1.216 30.605 31.823 -0.003 0.000 0.654 466 V HN 0.528 nan 8.190 nan 0.000 0.451 467 A N -0.106 122.760 122.820 0.076 0.000 1.940 467 A HA -0.303 4.001 4.320 -0.027 0.000 0.219 467 A C 2.023 179.666 177.584 0.099 0.000 1.176 467 A CA 2.448 54.532 52.037 0.079 0.000 0.631 467 A CB -0.540 18.509 19.000 0.081 0.000 0.814 467 A HN 0.643 nan 8.150 nan 0.000 0.446 468 D N -1.560 118.934 120.400 0.157 0.000 2.214 468 D HA 0.004 4.628 4.640 -0.027 0.000 0.217 468 D C -0.193 176.175 176.300 0.114 0.000 0.973 468 D CA 1.052 55.129 54.000 0.129 0.000 0.880 468 D CB 0.244 41.145 40.800 0.168 0.000 1.031 468 D HN 0.199 nan 8.370 nan 0.000 0.468 469 D N -0.710 119.800 120.400 0.184 0.000 2.452 469 D HA 0.070 4.694 4.640 -0.027 0.000 0.226 469 D C 0.296 176.708 176.300 0.187 0.000 1.366 469 D CA -0.333 53.773 54.000 0.177 0.000 0.986 469 D CB 1.651 42.575 40.800 0.208 0.000 1.420 469 D HN -0.047 nan 8.370 nan 0.000 0.583 470 V N 2.667 122.662 119.914 0.135 0.000 3.078 470 V HA -0.068 4.035 4.120 -0.027 0.000 0.265 470 V C 1.109 177.320 176.094 0.195 0.000 1.122 470 V CA 1.303 63.685 62.300 0.138 0.000 1.141 470 V CB -0.071 31.797 31.823 0.074 0.000 0.735 470 V HN 0.482 nan 8.190 nan 0.000 0.498 471 D N -1.506 118.944 120.400 0.084 0.000 2.389 471 D HA 0.115 4.739 4.640 -0.027 0.000 0.206 471 D C 0.344 176.374 176.300 -0.450 0.000 1.055 471 D CA 0.343 54.263 54.000 -0.134 0.000 0.856 471 D CB 0.184 40.854 40.800 -0.215 0.000 0.957 471 D HN 0.548 nan 8.370 nan 0.000 0.509 472 H N 0.184 119.311 119.070 0.095 0.000 2.607 472 H HA 0.243 4.783 4.556 -0.027 0.000 0.248 472 H C -2.351 173.136 175.328 0.265 0.000 1.355 472 H CA -1.322 54.801 56.048 0.125 0.000 1.524 472 H CB 1.778 31.608 29.762 0.114 0.000 1.563 472 H HN -0.027 nan 8.280 nan 0.000 0.509 473 P HA 0.066 nan 4.420 nan 0.000 0.279 473 P C 0.135 177.344 177.300 -0.152 0.000 1.276 473 P CA -0.585 62.594 63.100 0.131 0.000 0.801 473 P CB 1.426 33.120 31.700 -0.009 0.000 1.127 474 V N 2.783 122.249 119.914 -0.746 0.000 2.644 474 V HA -0.004 4.099 4.120 -0.027 0.000 0.305 474 V C -1.456 174.219 176.094 -0.697 0.000 1.053 474 V CA -0.290 61.146 62.300 -1.440 0.000 1.186 474 V CB -0.591 30.448 31.823 -1.306 0.000 0.895 474 V HN 0.648 nan 8.190 nan 0.000 0.490 475 P HA 0.305 nan 4.420 nan 0.000 0.276 475 P C 0.710 177.965 177.300 -0.075 0.000 1.252 475 P CA 0.620 63.619 63.100 -0.169 0.000 0.802 475 P CB 1.063 32.740 31.700 -0.038 0.000 1.035 476 G N -0.004 108.853 108.800 0.094 0.000 2.159 476 G HA2 -0.224 3.720 3.960 -0.027 0.000 0.256 476 G HA3 -0.224 3.720 3.960 -0.027 0.000 0.256 476 G C 0.104 174.869 174.900 -0.224 0.000 0.977 476 G CA -0.067 45.052 45.100 0.030 0.000 0.652 476 G HN 0.471 nan 8.290 nan 0.000 0.531 477 M N 1.118 120.502 119.600 -0.360 0.000 2.108 477 M HA 0.465 4.929 4.480 -0.027 0.000 0.354 477 M C 0.275 176.347 176.300 -0.380 0.000 1.229 477 M CA -0.553 54.338 55.300 -0.683 0.000 1.081 477 M CB 1.863 34.011 32.600 -0.755 0.000 1.606 477 M HN -0.107 nan 8.290 nan 0.000 0.467 478 V N 5.168 124.869 119.914 -0.355 0.000 2.455 478 V HA 0.170 4.274 4.120 -0.027 0.000 0.273 478 V C 0.466 176.525 176.094 -0.058 0.000 1.045 478 V CA -0.720 61.494 62.300 -0.142 0.000 0.976 478 V CB 0.774 32.544 31.823 -0.088 0.000 0.993 478 V HN 0.725 nan 8.190 nan 0.000 0.475 479 V N 3.282 123.181 119.914 -0.025 0.000 3.083 479 V HA 0.633 4.737 4.120 -0.027 0.000 0.306 479 V C 1.483 177.470 176.094 -0.179 0.000 1.077 479 V CA 0.451 62.779 62.300 0.047 0.000 1.073 479 V CB 0.750 32.656 31.823 0.137 0.000 1.081 479 V HN 0.762 nan 8.190 nan 0.000 0.474 480 G N 0.810 109.462 108.800 -0.247 0.000 2.440 480 G HA2 0.358 4.302 3.960 -0.027 0.000 0.218 480 G HA3 0.358 4.302 3.960 -0.027 0.000 0.218 480 G C 1.023 175.548 174.900 -0.624 0.000 1.154 480 G CA 0.961 45.496 45.100 -0.942 0.000 0.767 480 G HN 2.193 nan 8.290 nan 0.000 0.552 481 G N -0.878 107.685 108.800 -0.395 0.000 2.655 481 G HA2 0.052 3.996 3.960 -0.027 0.000 0.680 481 G HA3 0.052 3.996 3.960 -0.027 0.000 0.680 481 G C -2.918 171.865 174.900 -0.195 0.000 1.302 481 G CA -0.426 44.342 45.100 -0.554 0.000 0.872 481 G HN 0.362 nan 8.290 nan 0.000 0.540 482 P HA 0.188 nan 4.420 nan 0.000 0.264 482 P C -0.468 176.858 177.300 0.043 0.000 1.183 482 P CA 0.312 63.429 63.100 0.030 0.000 0.763 482 P CB 0.631 32.326 31.700 -0.009 0.000 0.807 483 N N 2.799 121.501 118.700 0.003 0.000 2.577 483 N HA 0.092 4.816 4.740 -0.027 0.000 0.275 483 N C 1.112 176.598 175.510 -0.041 0.000 1.091 483 N CA -0.825 52.228 53.050 0.005 0.000 0.843 483 N CB 0.896 39.342 38.487 -0.070 0.000 1.295 483 N HN 0.224 nan 8.380 nan 0.000 0.530 484 R N 2.336 122.785 120.500 -0.085 0.000 2.293 484 R HA -0.038 4.286 4.340 -0.027 0.000 0.219 484 R C -0.092 176.059 176.300 -0.249 0.000 1.091 484 R CA 0.970 56.958 56.100 -0.186 0.000 1.004 484 R CB -0.320 29.841 30.300 -0.232 0.000 0.865 484 R HN 0.501 nan 8.270 nan 0.000 0.469 485 H N 1.387 120.465 119.070 0.015 0.000 2.547 485 H HA 0.186 4.726 4.556 -0.027 0.000 0.266 485 H C 0.509 175.822 175.328 -0.024 0.000 0.988 485 H CA 0.451 56.509 56.048 0.017 0.000 1.147 485 H CB 0.102 29.903 29.762 0.064 0.000 1.365 485 H HN 0.110 nan 8.280 nan 0.000 0.589 486 L N 1.411 122.630 121.223 -0.006 0.000 3.795 486 L HA -0.279 4.045 4.340 -0.027 0.000 0.489 486 L C 0.134 176.947 176.870 -0.096 0.000 1.259 486 L CA 0.437 55.228 54.840 -0.081 0.000 0.765 486 L CB -1.398 40.624 42.059 -0.062 0.000 1.519 486 L HN 0.374 nan 8.230 nan 0.000 0.842 487 Q N 0.617 120.319 119.800 -0.164 0.000 2.242 487 Q HA 0.135 4.459 4.340 -0.027 0.000 0.246 487 Q C 0.044 175.859 176.000 -0.308 0.000 0.883 487 Q CA 0.237 55.959 55.803 -0.134 0.000 0.984 487 Q CB 0.320 29.045 28.738 -0.021 0.000 1.096 487 Q HN 0.761 nan 8.270 nan 0.000 0.452 488 D N -3.329 116.824 120.400 -0.411 0.000 2.599 488 D HA 0.004 4.628 4.640 -0.027 0.000 0.252 488 D C 0.511 176.625 176.300 -0.310 0.000 1.232 488 D CA -0.760 52.922 54.000 -0.531 0.000 0.819 488 D CB 0.600 40.645 40.800 -1.258 0.000 1.401 488 D HN 0.024 nan 8.370 nan 0.000 0.429 489 E N 0.413 120.486 120.200 -0.212 0.000 2.114 489 E HA -0.278 4.056 4.350 -0.027 0.000 0.199 489 E C 1.479 177.961 176.600 -0.196 0.000 1.008 489 E CA 1.170 57.484 56.400 -0.143 0.000 0.810 489 E CB -0.296 29.356 29.700 -0.080 0.000 0.739 489 E HN 0.450 nan 8.360 nan 0.000 0.456 490 I N 1.567 121.964 120.570 -0.288 0.000 2.202 490 I HA -0.164 3.990 4.170 -0.027 0.000 0.242 490 I C 2.704 178.658 176.117 -0.273 0.000 1.091 490 I CA 1.273 62.370 61.300 -0.339 0.000 1.368 490 I CB -1.458 36.220 38.000 -0.537 0.000 1.058 490 I HN 0.267 nan 8.210 nan 0.000 0.410 491 A N 1.190 123.838 122.820 -0.286 0.000 1.883 491 A HA -0.215 4.089 4.320 -0.027 0.000 0.217 491 A C 2.459 179.946 177.584 -0.162 0.000 1.186 491 A CA 1.436 53.335 52.037 -0.229 0.000 0.624 491 A CB -0.616 18.227 19.000 -0.262 0.000 0.822 491 A HN 0.334 nan 8.150 nan 0.000 0.444 492 R N -0.604 119.806 120.500 -0.149 0.000 2.091 492 R HA -0.137 4.187 4.340 -0.027 0.000 0.238 492 R C 2.424 178.674 176.300 -0.084 0.000 1.136 492 R CA 1.389 57.431 56.100 -0.097 0.000 0.959 492 R CB -0.486 29.767 30.300 -0.078 0.000 0.856 492 R HN 0.528 nan 8.270 nan 0.000 0.437 493 A N 0.560 123.320 122.820 -0.100 0.000 1.930 493 A HA -0.092 4.212 4.320 -0.027 0.000 0.215 493 A C 1.925 179.463 177.584 -0.077 0.000 1.176 493 A CA 0.911 52.898 52.037 -0.082 0.000 0.632 493 A CB 0.053 18.998 19.000 -0.091 0.000 0.819 493 A HN 0.198 nan 8.150 nan 0.000 0.445 494 Q N -1.206 118.535 119.800 -0.098 0.000 2.392 494 Q HA 0.287 4.611 4.340 -0.027 0.000 0.219 494 Q C 1.079 177.037 176.000 -0.070 0.000 0.895 494 Q CA 0.513 56.266 55.803 -0.083 0.000 0.929 494 Q CB 0.499 29.174 28.738 -0.104 0.000 1.077 494 Q HN 0.650 nan 8.270 nan 0.000 0.532 495 L N 0.036 121.212 121.223 -0.079 0.000 3.016 495 L HA 0.406 4.730 4.340 -0.027 0.000 0.267 495 L C 0.509 177.346 176.870 -0.055 0.000 1.182 495 L CA -0.485 54.315 54.840 -0.067 0.000 0.997 495 L CB 0.584 42.592 42.059 -0.085 0.000 1.354 495 L HN -0.138 nan 8.230 nan 0.000 0.569 496 A N 0.420 123.210 122.820 -0.050 0.000 2.540 496 A HA 0.416 4.720 4.320 -0.027 0.000 0.239 496 A C 1.503 179.069 177.584 -0.030 0.000 1.061 496 A CA 0.948 52.962 52.037 -0.038 0.000 0.758 496 A CB -0.126 18.854 19.000 -0.032 0.000 0.991 496 A HN 0.622 nan 8.150 nan 0.000 0.502 497 G N 1.641 110.425 108.800 -0.027 0.000 2.234 497 G HA2 -0.267 3.677 3.960 -0.027 0.000 0.260 497 G HA3 -0.267 3.677 3.960 -0.027 0.000 0.260 497 G C 0.507 175.394 174.900 -0.022 0.000 0.987 497 G CA 0.727 45.814 45.100 -0.021 0.000 0.625 497 G HN 0.930 nan 8.290 nan 0.000 0.532 498 R N 1.975 122.459 120.500 -0.026 0.000 2.594 498 R HA 0.500 4.824 4.340 -0.027 0.000 0.272 498 R C -1.541 174.739 176.300 -0.033 0.000 1.074 498 R CA -0.935 55.151 56.100 -0.024 0.000 1.105 498 R CB 0.174 30.460 30.300 -0.024 0.000 1.008 498 R HN 0.273 nan 8.270 nan 0.000 0.472 499 P HA -0.028 nan 4.420 nan 0.000 0.271 499 P C -0.138 177.112 177.300 -0.084 0.000 1.233 499 P CA -0.032 63.041 63.100 -0.044 0.000 0.789 499 P CB 0.612 32.295 31.700 -0.029 0.000 0.951 500 A N 1.578 124.335 122.820 -0.105 0.000 1.892 500 A HA -0.225 4.079 4.320 -0.027 0.000 0.218 500 A C 2.233 179.629 177.584 -0.313 0.000 1.188 500 A CA 2.177 54.127 52.037 -0.145 0.000 0.631 500 A CB -1.322 17.643 19.000 -0.058 0.000 0.822 500 A HN 0.565 nan 8.150 nan 0.000 0.447 501 M N -0.991 118.312 119.600 -0.494 0.000 2.557 501 M HA -0.071 4.392 4.480 -0.027 0.000 0.259 501 M C 1.170 177.335 176.300 -0.227 0.000 1.086 501 M CA 0.981 55.927 55.300 -0.591 0.000 1.096 501 M CB -0.148 32.118 32.600 -0.557 0.000 1.424 501 M HN 0.470 nan 8.290 nan 0.000 0.488 502 E N 0.082 120.207 120.200 -0.125 0.000 2.481 502 E HA 0.151 4.485 4.350 -0.027 0.000 0.198 502 E C 0.582 177.187 176.600 0.008 0.000 1.027 502 E CA -0.302 56.083 56.400 -0.025 0.000 0.900 502 E CB 0.403 30.096 29.700 -0.010 0.000 0.993 502 E HN 0.305 nan 8.360 nan 0.000 0.482 503 A N 1.402 124.210 122.820 -0.019 0.000 3.033 503 A HA 0.108 4.412 4.320 -0.027 0.000 0.250 503 A C -0.726 176.885 177.584 0.045 0.000 1.633 503 A CA 0.080 52.107 52.037 -0.016 0.000 1.290 503 A CB -0.727 18.242 19.000 -0.051 0.000 1.048 503 A HN 0.284 nan 8.150 nan 0.000 0.648 504 Y N -0.773 119.498 120.300 -0.050 0.000 2.492 504 Y HA 0.683 5.217 4.550 -0.027 0.000 0.346 504 Y C -1.227 174.670 175.900 -0.005 0.000 0.997 504 Y CA -1.528 56.559 58.100 -0.021 0.000 1.025 504 Y CB 1.412 39.915 38.460 0.071 0.000 1.263 504 Y HN 0.250 nan 8.280 nan 0.000 0.454 505 I N 5.117 125.127 120.570 -0.934 0.000 2.569 505 I HA 0.264 4.418 4.170 -0.027 0.000 0.290 505 I C -1.338 174.232 176.117 -0.911 0.000 1.088 505 I CA -0.672 60.186 61.300 -0.738 0.000 1.047 505 I CB 1.443 39.257 38.000 -0.310 0.000 1.237 505 I HN 0.740 nan 8.210 nan 0.000 0.421 506 D N 7.110 127.190 120.400 -0.533 0.000 2.498 506 D HA 0.095 4.719 4.640 -0.027 0.000 0.229 506 D C -0.936 175.414 176.300 0.082 0.000 1.188 506 D CA 0.743 54.681 54.000 -0.103 0.000 1.028 506 D CB -0.073 40.806 40.800 0.131 0.000 1.087 506 D HN 0.390 nan 8.370 nan 0.000 0.510 507 H N 1.889 120.920 119.070 -0.064 0.000 2.865 507 H HA 0.087 4.626 4.556 -0.027 0.000 0.362 507 H C 0.747 176.096 175.328 0.034 0.000 1.114 507 H CA -0.352 55.674 56.048 -0.036 0.000 1.208 507 H CB 1.696 31.391 29.762 -0.112 0.000 1.727 507 H HN 0.352 nan 8.280 nan 0.000 0.534 508 Q N 2.146 122.029 119.800 0.140 0.000 2.291 508 Q HA -0.084 4.240 4.340 -0.027 0.000 0.205 508 Q C -0.245 176.005 176.000 0.417 0.000 0.970 508 Q CA 1.507 57.447 55.803 0.229 0.000 0.876 508 Q CB 0.311 29.105 28.738 0.093 0.000 0.935 508 Q HN 0.410 nan 8.270 nan 0.000 0.455 509 D N 0.832 121.538 120.400 0.511 0.000 2.348 509 D HA 0.005 4.629 4.640 -0.027 0.000 0.211 509 D C 0.142 176.474 176.300 0.052 0.000 0.998 509 D CA 0.346 54.548 54.000 0.337 0.000 0.873 509 D CB 0.350 41.272 40.800 0.204 0.000 0.925 509 D HN 0.117 nan 8.370 nan 0.000 0.524 510 S N 1.028 116.713 115.700 -0.026 0.000 3.919 510 S HA 0.009 4.463 4.470 -0.027 0.000 0.245 510 S C 1.107 175.524 174.600 -0.305 0.000 1.344 510 S CA -0.639 57.385 58.200 -0.294 0.000 0.896 510 S CB -0.749 62.292 63.200 -0.265 0.000 1.557 510 S HN 0.201 nan 8.310 nan 0.000 0.468 511 Y N 1.966 122.048 120.300 -0.363 0.000 2.352 511 Y HA 0.019 4.553 4.550 -0.027 0.000 0.292 511 Y C 2.125 177.832 175.900 -0.322 0.000 1.136 511 Y CA 0.906 58.734 58.100 -0.453 0.000 1.227 511 Y CB -0.992 37.031 38.460 -0.728 0.000 0.991 511 Y HN 0.621 nan 8.280 nan 0.000 0.545 512 S N -0.537 114.668 115.700 -0.826 0.000 2.558 512 S HA -0.017 4.437 4.470 -0.027 0.000 0.217 512 S C 1.462 175.571 174.600 -0.818 0.000 0.975 512 S CA 0.605 57.962 58.200 -1.405 0.000 0.912 512 S CB -0.751 61.530 63.200 -1.531 0.000 0.776 512 S HN 0.677 nan 8.310 nan 0.000 0.526 513 T N -2.888 111.427 114.554 -0.399 0.000 2.969 513 T HA 0.332 4.666 4.350 -0.027 0.000 0.258 513 T C 0.687 175.454 174.700 0.111 0.000 0.962 513 T CA -0.026 61.997 62.100 -0.128 0.000 0.903 513 T CB -0.201 68.612 68.868 -0.091 0.000 1.177 513 T HN 0.296 nan 8.240 nan 0.000 0.511 514 N N 0.904 119.662 118.700 0.098 0.000 2.387 514 N HA 0.296 5.020 4.740 -0.027 0.000 0.259 514 N C -0.484 175.199 175.510 0.289 0.000 1.369 514 N CA -0.279 52.916 53.050 0.241 0.000 0.867 514 N CB 0.920 39.492 38.487 0.142 0.000 1.341 514 N HN 0.610 nan 8.380 nan 0.000 0.495 515 E N -0.439 119.981 120.200 0.366 0.000 2.359 515 E HA 0.452 4.786 4.350 -0.027 0.000 0.255 515 E C -0.324 176.565 176.600 0.482 0.000 1.191 515 E CA -0.757 55.911 56.400 0.447 0.000 0.952 515 E CB 1.145 31.135 29.700 0.483 0.000 1.152 515 E HN 0.018 nan 8.360 nan 0.000 0.496 516 V N -2.178 117.914 119.914 0.296 0.000 3.113 516 V HA 0.998 5.102 4.120 -0.027 0.000 0.316 516 V C -0.917 175.092 176.094 -0.141 0.000 1.125 516 V CA -0.437 61.943 62.300 0.134 0.000 1.026 516 V CB 1.291 33.027 31.823 -0.145 0.000 1.080 516 V HN 0.800 nan 8.190 nan 0.000 0.444 517 A N 0.542 123.192 122.820 -0.284 0.000 2.582 517 A HA 0.663 4.967 4.320 -0.027 0.000 0.297 517 A C 0.304 177.697 177.584 -0.318 0.000 1.059 517 A CA 0.008 51.657 52.037 -0.646 0.000 0.705 517 A CB 1.235 19.016 19.000 -2.031 0.000 1.279 517 A HN 2.255 nan 8.150 nan 0.000 0.404 518 V N -0.238 119.584 119.914 -0.154 0.000 2.380 518 V HA -0.265 3.838 4.120 -0.027 0.000 0.251 518 V C 1.622 177.825 176.094 0.182 0.000 1.063 518 V CA 2.605 64.902 62.300 -0.005 0.000 1.055 518 V CB -1.635 30.293 31.823 0.175 0.000 0.657 518 V HN 1.437 nan 8.190 nan 0.000 0.455 519 Y N -3.372 117.009 120.300 0.136 0.000 2.471 519 Y HA 0.366 4.900 4.550 -0.026 0.000 0.286 519 Y C 1.728 177.845 175.900 0.361 0.000 1.188 519 Y CA -0.705 57.534 58.100 0.232 0.000 1.286 519 Y CB -0.625 37.950 38.460 0.191 0.000 1.072 519 Y HN 0.212 nan 8.280 nan 0.000 0.517 520 W N 0.732 121.988 121.300 -0.074 0.000 2.699 520 W HA 0.191 4.835 4.660 -0.027 0.000 0.265 520 W C 1.641 178.149 176.519 -0.017 0.000 1.210 520 W CA -0.157 57.167 57.345 -0.035 0.000 1.414 520 W CB -0.918 28.458 29.460 -0.140 0.000 1.043 520 W HN 0.168 nan 8.180 nan 0.000 0.599 521 N N 0.655 119.448 118.700 0.154 0.000 2.244 521 N HA -0.146 4.578 4.740 -0.027 0.000 0.183 521 N C 1.860 177.580 175.510 0.350 0.000 1.016 521 N CA 1.901 55.019 53.050 0.113 0.000 0.866 521 N CB -0.053 38.362 38.487 -0.120 0.000 0.980 521 N HN 0.037 nan 8.380 nan 0.000 0.430 522 S N 1.357 117.352 115.700 0.491 0.000 2.355 522 S HA -0.019 4.435 4.470 -0.027 0.000 0.222 522 S C -0.867 173.939 174.600 0.342 0.000 1.031 522 S CA 0.764 59.262 58.200 0.497 0.000 0.993 522 S CB -1.450 62.035 63.200 0.476 0.000 0.859 522 S HN 0.210 nan 8.310 nan 0.000 0.453 523 P HA 0.117 nan 4.420 nan 0.000 0.221 523 P C 1.577 178.999 177.300 0.204 0.000 1.150 523 P CA 1.562 64.790 63.100 0.214 0.000 0.800 523 P CB -0.278 31.511 31.700 0.148 0.000 0.787 524 A N 0.154 123.074 122.820 0.166 0.000 1.902 524 A HA -0.115 4.189 4.320 -0.027 0.000 0.217 524 A C 2.453 180.114 177.584 0.128 0.000 1.181 524 A CA 1.701 53.794 52.037 0.093 0.000 0.623 524 A CB -1.668 17.364 19.000 0.054 0.000 0.818 524 A HN 0.052 nan 8.150 nan 0.000 0.443 525 V N -1.276 118.763 119.914 0.208 0.000 2.343 525 V HA -0.256 3.848 4.120 -0.027 0.000 0.247 525 V C 2.250 178.466 176.094 0.203 0.000 1.051 525 V CA 2.193 64.616 62.300 0.205 0.000 1.036 525 V CB -0.909 31.068 31.823 0.256 0.000 0.654 525 V HN 0.638 nan 8.190 nan 0.000 0.451 526 F N 0.498 120.526 119.950 0.130 0.000 2.069 526 F HA -0.211 4.300 4.527 -0.027 0.000 0.298 526 F C 2.252 178.094 175.800 0.069 0.000 1.113 526 F CA 2.145 60.244 58.000 0.165 0.000 1.214 526 F CB -0.249 38.839 39.000 0.146 0.000 0.978 526 F HN -0.049 nan 8.300 nan 0.000 0.474 527 V N 0.567 120.619 119.914 0.230 0.000 2.307 527 V HA -0.301 3.803 4.120 -0.027 0.000 0.245 527 V C 2.376 178.379 176.094 -0.152 0.000 1.045 527 V CA 1.499 63.820 62.300 0.035 0.000 1.024 527 V CB -0.615 31.225 31.823 0.028 0.000 0.651 527 V HN 0.319 nan 8.190 nan 0.000 0.449 528 I N 0.663 121.167 120.570 -0.111 0.000 2.315 528 I HA -0.163 3.991 4.170 -0.027 0.000 0.248 528 I C 2.711 178.750 176.117 -0.130 0.000 1.117 528 I CA 1.769 62.996 61.300 -0.122 0.000 1.404 528 I CB -1.694 36.278 38.000 -0.046 0.000 1.071 528 I HN 0.296 nan 8.210 nan 0.000 0.419 529 A N 1.085 123.806 122.820 -0.165 0.000 1.908 529 A HA -0.165 4.139 4.320 -0.027 0.000 0.218 529 A C 2.599 179.797 177.584 -0.643 0.000 1.181 529 A CA 2.111 54.008 52.037 -0.232 0.000 0.627 529 A CB -0.790 18.163 19.000 -0.079 0.000 0.818 529 A HN 0.410 nan 8.150 nan 0.000 0.445 530 A N -0.297 121.835 122.820 -1.146 0.000 1.908 530 A HA -0.085 4.219 4.320 -0.027 0.000 0.218 530 A C 2.165 179.451 177.584 -0.497 0.000 1.181 530 A CA 1.586 52.740 52.037 -1.471 0.000 0.627 530 A CB -0.622 17.755 19.000 -1.038 0.000 0.818 530 A HN 0.487 nan 8.150 nan 0.000 0.445 531 L N -0.875 120.197 121.223 -0.251 0.000 2.141 531 L HA -0.133 4.191 4.340 -0.027 0.000 0.209 531 L C 2.450 179.350 176.870 0.049 0.000 1.094 531 L CA 0.777 55.608 54.840 -0.017 0.000 0.763 531 L CB -0.392 41.691 42.059 0.040 0.000 0.908 531 L HN 0.372 nan 8.230 nan 0.000 0.437 532 L N -0.628 120.601 121.223 0.010 0.000 2.156 532 L HA -0.113 4.211 4.340 -0.027 0.000 0.208 532 L C 1.216 178.094 176.870 0.013 0.000 1.095 532 L CA 0.545 55.411 54.840 0.044 0.000 0.770 532 L CB -0.104 41.989 42.059 0.055 0.000 0.914 532 L HN 0.146 nan 8.230 nan 0.000 0.439 533 E N 1.233 121.411 120.200 -0.036 0.000 1.852 533 E HA 0.234 4.568 4.350 -0.027 0.000 0.276 533 E C -0.155 176.464 176.600 0.032 0.000 1.163 533 E CA -0.425 55.994 56.400 0.032 0.000 1.117 533 E CB 0.342 30.108 29.700 0.111 0.000 1.124 533 E HN 0.229 nan 8.360 nan 0.000 0.458 534 A N 3.993 126.828 122.820 0.024 0.000 2.404 534 A HA 0.252 4.556 4.320 -0.027 0.000 0.273 534 A C 0.510 178.093 177.584 -0.002 0.000 1.144 534 A CA -0.200 51.839 52.037 0.002 0.000 0.806 534 A CB 0.360 19.362 19.000 0.004 0.000 1.080 534 A HN 0.589 nan 8.150 nan 0.000 0.509 535 R N 2.422 122.900 120.500 -0.038 0.000 2.534 535 R HA 0.129 4.453 4.340 -0.027 0.000 0.438 535 R C 0.662 176.939 176.300 -0.038 0.000 0.913 535 R CA 0.383 56.474 56.100 -0.015 0.000 1.130 535 R CB 0.926 31.249 30.300 0.038 0.000 1.611 535 R HN 0.831 nan 8.270 nan 0.000 0.571 536 G N 0.966 109.728 108.800 -0.064 0.000 2.621 536 G HA2 0.202 4.146 3.960 -0.027 0.000 0.271 536 G HA3 0.202 4.146 3.960 -0.027 0.000 0.271 536 G C 0.204 175.093 174.900 -0.018 0.000 1.236 536 G CA -0.430 44.642 45.100 -0.047 0.000 0.958 536 G HN 0.216 nan 8.290 nan 0.000 0.512 537 R N 0.000 120.495 120.500 -0.009 0.000 2.786 537 R HA 0.000 4.324 4.340 -0.027 0.000 0.208 537 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 537 R CB 0.000 30.302 30.300 0.003 0.000 0.687 537 R HN 0.000 nan 8.270 nan 0.000 0.535