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 2qub_1_C DATA FIRST_RESID -1 DATA SEQUENCE SHMGIFSYKD LDENASKALF SDALAISTYA YHNIDNGFDE GYHQTGFGLG DATA SEQUENCE LPLTLITALI GSTQSQGGLP GLPWNPDSEQ AAQEAVNNAG WSVISATQLG DATA SEQUENCE YAGKTDARGT YYGETAGYTT AQAEVLGKYD SEGNLTAIGI SFRGTSGPRE DATA SEQUENCE SLIGDTIGDV INDLLAGFGP KGYADGYTLK AFGNLLGDVA KFAQAHGLSG DATA SEQUENCE EDVVVSGHSL GGLAVNSMAA QSDANWGGFY AQSNYVAFAS PTQYEAGGKV DATA SEQUENCE INIGYENDPV FRALDGTSLT LPSLGVHDAP HTSATNNIVN FNDHYASDAW DATA SEQUENCE NLLPFSILNI PTWLSHLPFF YQDGLMRVLN SEFYSLTDKD STIIVSNLSN DATA SEQUENCE VTRGNTWVED LNRNAETHSG PTFIIGSDGN DLIKGGKGND YLEGRDGDDI DATA SEQUENCE FRDAGGYNLI AGGKGHNIFD TQQALKNTEV AYDGNTLYLR DAKGGITLAD DATA SEQUENCE DISTLRSKET SWLIFNKEVD HQVTAAGLKS DSGLKAYAAA TGGDGDDVLQ DATA SEQUENCE ARSHDAWLFG NAGNDTLIGH AGGNLTFVGG SGDDILKGVG NGNTFLFSGD DATA SEQUENCE FGRDQLYGFN ASDKLVFIGT EGASGNIRDY ATQQNDDLVL AFGHSQVTLI DATA SEQUENCE GVSLDHISTD QVVLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.486 174.600 -0.189 0.000 1.055 -1 S CA 0.000 58.087 58.200 -0.188 0.000 1.107 -1 S CB 0.000 63.142 63.200 -0.097 0.000 0.593 0 H N 4.898 123.961 119.070 -0.010 0.000 2.683 0 H HA 0.338 4.895 4.556 0.001 0.000 0.339 0 H C 0.602 175.901 175.328 -0.048 0.000 1.081 0 H CA -0.164 55.858 56.048 -0.042 0.000 1.432 0 H CB 0.936 30.667 29.762 -0.053 0.000 1.462 0 H HN 0.551 nan 8.280 nan 0.000 0.557 1 M N 1.122 120.753 119.600 0.051 0.000 2.313 1 M HA 0.180 4.660 4.480 0.001 0.000 0.273 1 M C 0.732 177.016 176.300 -0.027 0.000 1.049 1 M CA 0.118 55.434 55.300 0.027 0.000 1.004 1 M CB 0.302 32.920 32.600 0.030 0.000 1.461 1 M HN 0.878 nan 8.290 nan 0.000 0.514 2 G N 1.497 110.168 108.800 -0.215 0.000 2.788 2 G HA2 -0.162 3.799 3.960 0.001 0.000 0.686 2 G HA3 -0.162 3.799 3.960 0.001 0.000 0.686 2 G C 0.303 174.910 174.900 -0.488 0.000 1.147 2 G CA -0.270 44.461 45.100 -0.616 0.000 0.755 2 G HN 0.384 nan 8.290 nan 0.000 0.634 3 I N 0.425 120.507 120.570 -0.813 0.000 2.361 3 I HA 0.013 4.183 4.170 0.001 0.000 0.251 3 I C 1.661 177.576 176.117 -0.336 0.000 1.133 3 I CA 1.352 62.285 61.300 -0.612 0.000 1.413 3 I CB -0.114 37.373 38.000 -0.854 0.000 1.073 3 I HN 0.420 nan 8.210 nan 0.000 0.424 4 F N 0.610 120.553 119.950 -0.011 0.000 2.660 4 F HA 0.291 4.819 4.527 0.001 0.000 0.297 4 F C 1.311 177.196 175.800 0.141 0.000 1.132 4 F CA -0.543 57.476 58.000 0.032 0.000 1.372 4 F CB -1.313 37.573 39.000 -0.191 0.000 1.003 4 F HN -0.115 nan 8.300 nan 0.000 0.524 5 S N 0.722 116.561 115.700 0.232 0.000 2.558 5 S HA 0.058 4.528 4.470 0.001 0.000 0.288 5 S C -0.912 173.856 174.600 0.280 0.000 1.318 5 S CA 0.099 58.429 58.200 0.217 0.000 1.056 5 S CB 0.177 63.443 63.200 0.110 0.000 0.853 5 S HN 0.322 nan 8.310 nan 0.000 0.505 6 Y N 4.907 125.278 120.300 0.118 0.000 2.386 6 Y HA 0.418 4.969 4.550 0.001 0.000 0.334 6 Y C 0.349 176.296 175.900 0.078 0.000 1.002 6 Y CA -0.586 57.577 58.100 0.105 0.000 1.068 6 Y CB 0.708 39.240 38.460 0.120 0.000 1.203 6 Y HN 1.043 nan 8.280 nan 0.000 0.443 7 K N 1.345 121.475 120.400 -0.449 0.000 1.931 7 K HA -0.286 4.034 4.320 0.001 0.000 0.126 7 K C -0.075 176.445 176.600 -0.134 0.000 1.372 7 K CA 2.096 58.165 56.287 -0.363 0.000 0.483 7 K CB -0.819 31.369 32.500 -0.519 0.000 0.562 7 K HN 0.874 nan 8.250 nan 0.000 0.923 8 D N 1.445 121.789 120.400 -0.093 0.000 2.463 8 D HA 0.169 4.810 4.640 0.001 0.000 0.224 8 D C 0.265 176.571 176.300 0.009 0.000 1.174 8 D CA 0.004 53.984 54.000 -0.032 0.000 0.829 8 D CB -0.296 40.485 40.800 -0.032 0.000 0.993 8 D HN 0.254 nan 8.370 nan 0.000 0.497 9 L N 1.393 122.640 121.223 0.042 0.000 2.439 9 L HA 0.147 4.487 4.340 0.001 0.000 0.269 9 L C 0.731 177.649 176.870 0.079 0.000 1.179 9 L CA -0.574 54.316 54.840 0.083 0.000 0.828 9 L CB 0.368 42.517 42.059 0.150 0.000 1.106 9 L HN 0.052 nan 8.230 nan 0.000 0.467 10 D N 0.009 120.453 120.400 0.073 0.000 2.371 10 D HA -0.030 4.611 4.640 0.001 0.000 0.242 10 D C 0.761 177.119 176.300 0.098 0.000 1.218 10 D CA -0.502 53.541 54.000 0.072 0.000 0.945 10 D CB 0.630 41.465 40.800 0.058 0.000 1.137 10 D HN 0.615 nan 8.370 nan 0.000 0.464 11 E N -0.242 120.020 120.200 0.103 0.000 2.085 11 E HA -0.292 4.059 4.350 0.001 0.000 0.194 11 E C 1.268 177.947 176.600 0.132 0.000 0.994 11 E CA 1.189 57.673 56.400 0.139 0.000 0.801 11 E CB -0.002 29.786 29.700 0.148 0.000 0.743 11 E HN 0.387 nan 8.360 nan 0.000 0.453 12 N N 0.238 118.996 118.700 0.097 0.000 2.166 12 N HA -0.134 4.606 4.740 0.001 0.000 0.186 12 N C 1.545 177.102 175.510 0.079 0.000 1.019 12 N CA 1.303 54.397 53.050 0.073 0.000 0.856 12 N CB -0.411 38.108 38.487 0.055 0.000 0.993 12 N HN 0.265 nan 8.380 nan 0.000 0.426 13 A N 0.122 122.996 122.820 0.089 0.000 1.930 13 A HA -0.019 4.302 4.320 0.001 0.000 0.217 13 A C 2.483 180.147 177.584 0.133 0.000 1.175 13 A CA 1.404 53.500 52.037 0.098 0.000 0.627 13 A CB -0.609 18.447 19.000 0.092 0.000 0.815 13 A HN 0.222 nan 8.150 nan 0.000 0.443 14 S N -0.278 115.521 115.700 0.164 0.000 2.368 14 S HA -0.140 4.331 4.470 0.001 0.000 0.225 14 S C 1.970 176.702 174.600 0.221 0.000 1.030 14 S CA 1.606 59.937 58.200 0.219 0.000 0.999 14 S CB -0.204 63.146 63.200 0.250 0.000 0.844 14 S HN 0.624 nan 8.310 nan 0.000 0.459 15 K N 1.231 121.729 120.400 0.162 0.000 2.057 15 K HA 0.005 4.325 4.320 0.001 0.000 0.206 15 K C 2.401 179.093 176.600 0.154 0.000 1.050 15 K CA 1.170 57.523 56.287 0.110 0.000 0.935 15 K CB -0.304 32.168 32.500 -0.047 0.000 0.715 15 K HN 0.322 nan 8.250 nan 0.000 0.439 16 A N 1.608 124.498 122.820 0.117 0.000 1.902 16 A HA -0.160 4.161 4.320 0.001 0.000 0.217 16 A C 2.124 179.785 177.584 0.128 0.000 1.181 16 A CA 1.186 53.288 52.037 0.108 0.000 0.623 16 A CB -0.543 18.503 19.000 0.078 0.000 0.818 16 A HN 0.249 nan 8.150 nan 0.000 0.443 17 L N -1.351 119.949 121.223 0.128 0.000 2.017 17 L HA -0.114 4.227 4.340 0.001 0.000 0.208 17 L C 2.194 179.108 176.870 0.073 0.000 1.073 17 L CA 2.436 57.328 54.840 0.087 0.000 0.745 17 L CB -0.883 41.208 42.059 0.054 0.000 0.894 17 L HN 0.426 nan 8.230 nan 0.000 0.432 18 F N -0.472 119.477 119.950 -0.001 0.000 2.095 18 F HA -0.233 4.295 4.527 0.001 0.000 0.298 18 F C 2.770 178.571 175.800 0.001 0.000 1.104 18 F CA 1.879 59.865 58.000 -0.024 0.000 1.232 18 F CB -0.670 38.316 39.000 -0.022 0.000 0.987 18 F HN 0.217 nan 8.300 nan 0.000 0.475 19 S N 0.051 115.836 115.700 0.142 0.000 2.359 19 S HA -0.232 4.239 4.470 0.001 0.000 0.224 19 S C 1.853 176.429 174.600 -0.041 0.000 1.035 19 S CA 1.871 60.099 58.200 0.046 0.000 1.018 19 S CB -0.649 62.624 63.200 0.123 0.000 0.876 19 S HN 0.498 nan 8.310 nan 0.000 0.448 20 D N 1.232 121.657 120.400 0.042 0.000 2.104 20 D HA -0.056 4.584 4.640 0.001 0.000 0.194 20 D C 2.239 178.418 176.300 -0.203 0.000 0.994 20 D CA 1.405 55.453 54.000 0.080 0.000 0.830 20 D CB -0.699 40.270 40.800 0.282 0.000 0.959 20 D HN 0.485 nan 8.370 nan 0.000 0.452 21 A N 0.775 123.466 122.820 -0.216 0.000 1.877 21 A HA -0.152 4.168 4.320 0.001 0.000 0.216 21 A C 2.168 179.634 177.584 -0.197 0.000 1.186 21 A CA 1.080 52.984 52.037 -0.221 0.000 0.620 21 A CB -0.737 18.164 19.000 -0.165 0.000 0.822 21 A HN 0.238 nan 8.150 nan 0.000 0.443 22 L N -0.297 120.707 121.223 -0.365 0.000 2.093 22 L HA -0.019 4.321 4.340 0.001 0.000 0.208 22 L C 2.659 179.294 176.870 -0.392 0.000 1.085 22 L CA 2.026 56.500 54.840 -0.610 0.000 0.755 22 L CB -0.899 40.660 42.059 -0.833 0.000 0.904 22 L HN 0.356 nan 8.230 nan 0.000 0.435 23 A N 0.286 122.943 122.820 -0.270 0.000 1.877 23 A HA -0.200 4.120 4.320 0.001 0.000 0.216 23 A C 2.242 179.704 177.584 -0.202 0.000 1.186 23 A CA 2.150 54.080 52.037 -0.178 0.000 0.620 23 A CB -1.007 17.947 19.000 -0.076 0.000 0.822 23 A HN 0.660 nan 8.150 nan 0.000 0.443 24 I N -3.370 117.008 120.570 -0.321 0.000 2.439 24 I HA -0.057 4.113 4.170 0.001 0.000 0.251 24 I C 2.295 178.287 176.117 -0.209 0.000 1.139 24 I CA 1.723 62.829 61.300 -0.324 0.000 1.438 24 I CB -0.469 37.176 38.000 -0.591 0.000 1.085 24 I HN 0.231 nan 8.210 nan 0.000 0.427 25 S N 1.260 116.833 115.700 -0.212 0.000 2.368 25 S HA -0.177 4.294 4.470 0.001 0.000 0.225 25 S C 2.013 176.528 174.600 -0.142 0.000 1.030 25 S CA 2.413 60.522 58.200 -0.152 0.000 0.999 25 S CB -0.666 62.471 63.200 -0.105 0.000 0.844 25 S HN 0.634 nan 8.310 nan 0.000 0.459 26 T N 0.523 114.981 114.554 -0.161 0.000 2.746 26 T HA -0.091 4.260 4.350 0.001 0.000 0.267 26 T C 1.469 176.144 174.700 -0.043 0.000 1.039 26 T CA 1.506 63.554 62.100 -0.087 0.000 1.142 26 T CB -0.610 68.187 68.868 -0.118 0.000 0.866 26 T HN 0.607 nan 8.240 nan 0.000 0.444 27 Y N 2.352 122.530 120.300 -0.202 0.000 2.193 27 Y HA -0.122 4.429 4.550 0.001 0.000 0.285 27 Y C 2.438 178.091 175.900 -0.412 0.000 1.166 27 Y CA 0.723 58.657 58.100 -0.276 0.000 1.181 27 Y CB -0.766 37.534 38.460 -0.266 0.000 0.976 27 Y HN 0.194 nan 8.280 nan 0.000 0.520 28 A N -1.017 121.530 122.820 -0.454 0.000 2.076 28 A HA -0.216 4.104 4.320 0.001 0.000 0.220 28 A C 1.642 178.970 177.584 -0.427 0.000 1.160 28 A CA 1.636 53.368 52.037 -0.508 0.000 0.653 28 A CB -1.235 17.539 19.000 -0.377 0.000 0.801 28 A HN 0.641 nan 8.150 nan 0.000 0.455 29 Y N -1.339 118.800 120.300 -0.268 0.000 2.511 29 Y HA 0.056 4.606 4.550 0.001 0.000 0.279 29 Y C 0.682 176.541 175.900 -0.068 0.000 1.157 29 Y CA 0.337 58.362 58.100 -0.125 0.000 1.300 29 Y CB -0.190 38.190 38.460 -0.133 0.000 1.052 29 Y HN 0.547 nan 8.280 nan 0.000 0.529 30 H N 0.315 119.298 119.070 -0.145 0.000 2.655 30 H HA -0.245 4.312 4.556 0.001 0.000 0.313 30 H C 0.282 175.591 175.328 -0.031 0.000 1.141 30 H CA 0.783 56.742 56.048 -0.150 0.000 1.138 30 H CB -1.479 28.181 29.762 -0.171 0.000 1.446 30 H HN 0.432 nan 8.280 nan 0.000 0.415 31 N N -0.967 117.764 118.700 0.052 0.000 2.741 31 N HA -0.207 4.534 4.740 0.001 0.000 0.250 31 N C 1.208 176.747 175.510 0.048 0.000 1.115 31 N CA 0.911 53.986 53.050 0.042 0.000 0.724 31 N CB -1.134 37.377 38.487 0.039 0.000 1.090 31 N HN 0.559 nan 8.380 nan 0.000 0.558 32 I N 1.376 121.988 120.570 0.071 0.000 2.335 32 I HA -0.206 3.964 4.170 0.001 0.000 0.251 32 I C 1.528 177.674 176.117 0.048 0.000 1.129 32 I CA 1.914 63.254 61.300 0.068 0.000 1.402 32 I CB 0.051 38.115 38.000 0.107 0.000 1.069 32 I HN 0.219 nan 8.210 nan 0.000 0.424 33 D N -1.345 119.064 120.400 0.015 0.000 2.358 33 D HA -0.085 4.556 4.640 0.001 0.000 0.224 33 D C 1.423 177.738 176.300 0.026 0.000 1.123 33 D CA 0.002 54.035 54.000 0.054 0.000 0.833 33 D CB -1.418 39.403 40.800 0.034 0.000 0.946 33 D HN 0.478 nan 8.370 nan 0.000 0.505 34 N N 0.989 119.689 118.700 -0.001 0.000 2.069 34 N HA -0.169 4.572 4.740 0.001 0.000 0.191 34 N C 1.902 177.388 175.510 -0.040 0.000 1.031 34 N CA 1.654 54.679 53.050 -0.042 0.000 0.852 34 N CB -0.190 38.289 38.487 -0.013 0.000 1.018 34 N HN 0.292 nan 8.380 nan 0.000 0.423 35 G N -0.000 108.810 108.800 0.017 0.000 2.418 35 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 35 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 35 G C 1.347 176.264 174.900 0.030 0.000 1.158 35 G CA 0.236 45.350 45.100 0.023 0.000 0.771 35 G HN 0.390 nan 8.290 nan 0.000 0.545 36 F N 1.258 121.177 119.950 -0.051 0.000 2.134 36 F HA -0.091 4.436 4.527 0.001 0.000 0.299 36 F C 2.453 178.141 175.800 -0.187 0.000 1.097 36 F CA 1.584 59.571 58.000 -0.020 0.000 1.264 36 F CB 0.110 39.153 39.000 0.071 0.000 1.001 36 F HN 0.170 nan 8.300 nan 0.000 0.479 37 D N 0.440 120.664 120.400 -0.293 0.000 2.092 37 D HA -0.266 4.375 4.640 0.001 0.000 0.193 37 D C 2.100 178.322 176.300 -0.130 0.000 0.994 37 D CA 1.800 55.285 54.000 -0.858 0.000 0.828 37 D CB -0.420 39.761 40.800 -1.033 0.000 0.963 37 D HN 0.512 nan 8.370 nan 0.000 0.450 38 E N -0.538 119.618 120.200 -0.073 0.000 2.031 38 E HA -0.142 4.208 4.350 0.001 0.000 0.193 38 E C 2.140 178.768 176.600 0.047 0.000 0.994 38 E CA 1.324 57.732 56.400 0.013 0.000 0.800 38 E CB -0.524 29.171 29.700 -0.008 0.000 0.752 38 E HN 0.365 nan 8.360 nan 0.000 0.447 39 G N 0.222 109.023 108.800 0.003 0.000 2.459 39 G HA2 -0.342 3.618 3.960 0.001 0.000 0.217 39 G HA3 -0.342 3.618 3.960 0.001 0.000 0.217 39 G C 1.418 176.334 174.900 0.027 0.000 1.183 39 G CA 1.118 46.204 45.100 -0.024 0.000 0.776 39 G HN 0.449 nan 8.290 nan 0.000 0.552 40 Y N 1.391 121.665 120.300 -0.043 0.000 2.114 40 Y HA -0.258 4.292 4.550 0.001 0.000 0.282 40 Y C 2.810 178.713 175.900 0.004 0.000 1.165 40 Y CA 2.470 60.601 58.100 0.052 0.000 1.148 40 Y CB -0.627 37.954 38.460 0.202 0.000 0.972 40 Y HN 0.433 nan 8.280 nan 0.000 0.504 41 H N -0.806 118.263 119.070 -0.002 0.000 2.423 41 H HA -0.132 4.424 4.556 0.001 0.000 0.297 41 H C 2.331 177.600 175.328 -0.098 0.000 1.075 41 H CA 1.804 57.794 56.048 -0.097 0.000 1.342 41 H CB -0.107 29.669 29.762 0.023 0.000 1.395 41 H HN 0.489 nan 8.280 nan 0.000 0.530 42 Q N 0.285 120.113 119.800 0.045 0.000 2.123 42 Q HA -0.081 4.260 4.340 0.001 0.000 0.196 42 Q C 1.301 177.295 176.000 -0.010 0.000 0.958 42 Q CA 1.749 57.563 55.803 0.018 0.000 0.841 42 Q CB 0.445 29.195 28.738 0.020 0.000 0.915 42 Q HN 0.557 nan 8.270 nan 0.000 0.455 43 T N -3.900 110.642 114.554 -0.020 0.000 3.004 43 T HA 0.480 4.831 4.350 0.001 0.000 0.266 43 T C 0.795 175.500 174.700 0.008 0.000 0.986 43 T CA 0.251 62.348 62.100 -0.005 0.000 0.902 43 T CB 0.946 69.815 68.868 0.002 0.000 1.118 43 T HN 0.536 nan 8.240 nan 0.000 0.522 44 G N 1.684 110.459 108.800 -0.043 0.000 2.593 44 G HA2 -0.153 3.807 3.960 0.001 0.000 0.237 44 G HA3 -0.153 3.807 3.960 0.001 0.000 0.237 44 G C -0.293 174.794 174.900 0.311 0.000 1.312 44 G CA 0.003 45.098 45.100 -0.007 0.000 0.896 44 G HN 0.408 nan 8.290 nan 0.000 0.574 45 F N 2.180 122.260 119.950 0.216 0.000 2.817 45 F HA 0.535 5.062 4.527 0.001 0.000 0.319 45 F C 1.373 177.471 175.800 0.498 0.000 1.136 45 F CA 0.956 59.180 58.000 0.373 0.000 1.177 45 F CB 0.390 39.646 39.000 0.427 0.000 1.088 45 F HN 0.814 nan 8.300 nan 0.000 0.520 46 G N 0.073 109.074 108.800 0.336 0.000 3.434 46 G HA2 0.166 4.127 3.960 0.001 0.000 0.197 46 G HA3 0.166 4.127 3.960 0.001 0.000 0.197 46 G C 1.033 175.983 174.900 0.083 0.000 1.559 46 G CA -0.237 44.994 45.100 0.219 0.000 0.852 46 G HN 0.063 nan 8.290 nan 0.000 0.682 47 L N 1.138 122.386 121.223 0.041 0.000 2.265 47 L HA 0.035 4.376 4.340 0.001 0.000 0.215 47 L C 2.657 179.539 176.870 0.019 0.000 1.117 47 L CA 0.993 55.840 54.840 0.011 0.000 0.782 47 L CB -0.273 41.788 42.059 0.003 0.000 0.914 47 L HN 0.501 nan 8.230 nan 0.000 0.441 48 G N -0.847 107.977 108.800 0.040 0.000 3.042 48 G HA2 -0.064 3.897 3.960 0.001 0.000 0.212 48 G HA3 -0.064 3.897 3.960 0.001 0.000 0.212 48 G C 1.401 176.319 174.900 0.031 0.000 1.166 48 G CA -0.257 44.862 45.100 0.031 0.000 0.767 48 G HN 0.136 nan 8.290 nan 0.000 0.546 49 L N 1.761 123.005 121.223 0.035 0.000 2.043 49 L HA 0.003 4.343 4.340 0.001 0.000 0.212 49 L C -0.009 176.851 176.870 -0.017 0.000 1.075 49 L CA 2.040 56.880 54.840 -0.000 0.000 0.752 49 L CB -0.956 41.062 42.059 -0.068 0.000 0.891 49 L HN 0.054 nan 8.230 nan 0.000 0.432 50 P HA -0.185 nan 4.420 nan 0.000 0.215 50 P C 2.153 179.442 177.300 -0.017 0.000 1.153 50 P CA 1.583 64.677 63.100 -0.010 0.000 0.853 50 P CB -0.076 31.621 31.700 -0.005 0.000 0.788 51 L N -1.495 119.720 121.223 -0.014 0.000 2.046 51 L HA -0.161 4.180 4.340 0.001 0.000 0.208 51 L C 2.341 179.187 176.870 -0.041 0.000 1.077 51 L CA 1.872 56.701 54.840 -0.018 0.000 0.747 51 L CB -1.821 40.233 42.059 -0.010 0.000 0.896 51 L HN 0.035 nan 8.230 nan 0.000 0.432 52 T N 0.592 115.115 114.554 -0.052 0.000 2.720 52 T HA -0.171 4.180 4.350 0.001 0.000 0.268 52 T C 2.006 176.567 174.700 -0.231 0.000 1.037 52 T CA 1.321 63.348 62.100 -0.122 0.000 1.144 52 T CB -0.250 68.581 68.868 -0.062 0.000 0.864 52 T HN 0.200 nan 8.240 nan 0.000 0.444 53 L N -0.014 121.116 121.223 -0.154 0.000 2.093 53 L HA 0.002 4.343 4.340 0.001 0.000 0.208 53 L C 2.399 179.227 176.870 -0.070 0.000 1.085 53 L CA 1.058 55.821 54.840 -0.127 0.000 0.755 53 L CB -0.525 41.516 42.059 -0.031 0.000 0.904 53 L HN 0.270 nan 8.230 nan 0.000 0.435 54 I N -0.583 119.961 120.570 -0.044 0.000 2.202 54 I HA -0.253 3.917 4.170 0.001 0.000 0.242 54 I C 2.470 178.582 176.117 -0.009 0.000 1.091 54 I CA 1.452 62.745 61.300 -0.011 0.000 1.368 54 I CB -0.506 37.494 38.000 -0.000 0.000 1.058 54 I HN 0.206 nan 8.210 nan 0.000 0.410 55 T N 0.827 115.362 114.554 -0.033 0.000 2.788 55 T HA -0.157 4.194 4.350 0.001 0.000 0.268 55 T C 2.041 176.727 174.700 -0.023 0.000 1.044 55 T CA 1.331 63.419 62.100 -0.020 0.000 1.139 55 T CB -0.328 68.519 68.868 -0.035 0.000 0.867 55 T HN 0.479 nan 8.240 nan 0.000 0.454 56 A N 0.960 123.732 122.820 -0.079 0.000 1.978 56 A HA 0.017 4.338 4.320 0.001 0.000 0.220 56 A C 2.231 179.853 177.584 0.065 0.000 1.170 56 A CA 1.162 53.197 52.037 -0.004 0.000 0.636 56 A CB -0.635 18.337 19.000 -0.047 0.000 0.810 56 A HN 0.499 nan 8.150 nan 0.000 0.448 57 L N -1.113 120.135 121.223 0.042 0.000 2.168 57 L HA 0.105 4.446 4.340 0.001 0.000 0.203 57 L C 2.092 178.992 176.870 0.050 0.000 1.078 57 L CA 1.290 56.163 54.840 0.054 0.000 0.780 57 L CB -0.174 41.914 42.059 0.047 0.000 0.939 57 L HN 0.629 nan 8.230 nan 0.000 0.451 58 I N -4.373 116.231 120.570 0.056 0.000 4.240 58 I HA 0.491 4.662 4.170 0.001 0.000 0.331 58 I C 1.100 177.274 176.117 0.095 0.000 1.381 58 I CA 0.029 61.376 61.300 0.078 0.000 1.136 58 I CB 0.114 38.187 38.000 0.123 0.000 1.137 58 I HN 0.163 nan 8.210 nan 0.000 0.411 59 G N 2.711 111.553 108.800 0.069 0.000 2.574 59 G HA2 -0.259 3.701 3.960 0.001 0.000 0.282 59 G HA3 -0.259 3.701 3.960 0.001 0.000 0.282 59 G C -0.041 174.926 174.900 0.111 0.000 1.257 59 G CA 0.837 45.980 45.100 0.070 0.000 0.956 59 G HN 1.163 nan 8.290 nan 0.000 0.560 60 S N -4.169 111.609 115.700 0.130 0.000 2.815 60 S HA 0.659 5.130 4.470 0.001 0.000 0.296 60 S C 1.140 175.856 174.600 0.193 0.000 1.224 60 S CA 0.911 59.204 58.200 0.155 0.000 0.938 60 S CB 0.806 64.052 63.200 0.078 0.000 1.285 60 S HN 2.308 nan 8.310 nan 0.000 0.549 61 T N -1.080 113.566 114.554 0.154 0.000 3.072 61 T HA 0.111 4.461 4.350 0.001 0.000 0.266 61 T C 1.090 175.841 174.700 0.084 0.000 1.127 61 T CA 1.033 63.218 62.100 0.142 0.000 1.107 61 T CB -0.502 68.427 68.868 0.102 0.000 0.910 61 T HN 0.597 nan 8.240 nan 0.000 0.513 62 Q N 0.812 120.649 119.800 0.062 0.000 2.280 62 Q HA 0.270 4.610 4.340 0.001 0.000 0.228 62 Q C 0.444 176.459 176.000 0.023 0.000 0.857 62 Q CA 0.033 55.857 55.803 0.034 0.000 0.939 62 Q CB 0.832 29.583 28.738 0.021 0.000 1.114 62 Q HN 0.657 nan 8.270 nan 0.000 0.514 63 S N -0.610 115.109 115.700 0.032 0.000 2.579 63 S HA 0.394 4.864 4.470 0.001 0.000 0.272 63 S C -1.315 173.298 174.600 0.023 0.000 1.141 63 S CA -0.910 57.300 58.200 0.016 0.000 0.843 63 S CB 2.329 65.530 63.200 0.003 0.000 1.122 63 S HN 0.097 nan 8.310 nan 0.000 0.468 64 Q N 0.921 120.727 119.800 0.011 0.000 2.333 64 Q HA 0.580 4.921 4.340 0.001 0.000 0.265 64 Q C 0.420 176.430 176.000 0.017 0.000 0.989 64 Q CA -0.624 55.182 55.803 0.004 0.000 0.842 64 Q CB 1.241 29.974 28.738 -0.008 0.000 1.262 64 Q HN 0.991 nan 8.270 nan 0.000 0.451 65 G N 1.435 110.249 108.800 0.023 0.000 2.508 65 G HA2 0.246 4.207 3.960 0.001 0.000 0.278 65 G HA3 0.246 4.207 3.960 0.001 0.000 0.278 65 G C 0.718 175.641 174.900 0.040 0.000 1.389 65 G CA -0.051 45.074 45.100 0.041 0.000 1.050 65 G HN 0.800 nan 8.290 nan 0.000 0.522 66 G N -1.171 107.662 108.800 0.056 0.000 2.443 66 G HA2 0.037 3.997 3.960 0.001 0.000 0.219 66 G HA3 0.037 3.997 3.960 0.001 0.000 0.219 66 G C 0.731 175.647 174.900 0.028 0.000 1.131 66 G CA 0.265 45.396 45.100 0.052 0.000 0.775 66 G HN 0.392 nan 8.290 nan 0.000 0.547 67 L N 2.630 123.862 121.223 0.016 0.000 2.367 67 L HA 0.392 4.732 4.340 0.001 0.000 0.275 67 L C -1.742 175.106 176.870 -0.035 0.000 1.129 67 L CA -1.970 52.867 54.840 -0.005 0.000 0.839 67 L CB 1.044 43.100 42.059 -0.005 0.000 1.133 67 L HN -0.065 nan 8.230 nan 0.000 0.453 68 P HA 0.327 nan 4.420 nan 0.000 0.278 68 P C 0.192 177.431 177.300 -0.101 0.000 1.258 68 P CA 0.107 63.168 63.100 -0.064 0.000 0.811 68 P CB 1.279 32.953 31.700 -0.044 0.000 1.063 69 G N -0.183 108.540 108.800 -0.130 0.000 2.157 69 G HA2 -0.186 3.774 3.960 0.001 0.000 0.248 69 G HA3 -0.186 3.774 3.960 0.001 0.000 0.248 69 G C -0.173 174.564 174.900 -0.271 0.000 0.979 69 G CA -0.189 44.818 45.100 -0.156 0.000 0.650 69 G HN 0.450 nan 8.290 nan 0.000 0.529 70 L N 1.322 122.305 121.223 -0.401 0.000 2.260 70 L HA 0.311 4.652 4.340 0.001 0.000 0.289 70 L C -0.394 175.988 176.870 -0.813 0.000 1.057 70 L CA -1.913 52.427 54.840 -0.833 0.000 0.811 70 L CB 1.245 42.700 42.059 -1.008 0.000 1.184 70 L HN -0.061 nan 8.230 nan 0.000 0.429 71 P HA -0.152 nan 4.420 nan 0.000 0.220 71 P C 1.016 178.243 177.300 -0.121 0.000 1.148 71 P CA 1.195 64.133 63.100 -0.269 0.000 0.803 71 P CB 0.013 31.674 31.700 -0.064 0.000 0.782 72 W N 0.013 121.316 121.300 0.004 0.000 3.047 72 W HA 0.228 4.888 4.660 -0.001 0.000 0.250 72 W C 0.211 176.733 176.519 0.004 0.000 1.314 72 W CA -0.645 56.702 57.345 0.003 0.000 1.540 72 W CB -1.982 27.480 29.460 0.002 0.000 1.127 72 W HN -0.204 nan 8.180 nan 0.000 0.679 73 N N 3.261 121.846 118.700 -0.191 0.000 2.482 73 N HA 0.140 4.881 4.740 0.001 0.000 0.260 73 N C -2.075 173.420 175.510 -0.025 0.000 1.236 73 N CA -1.444 51.565 53.050 -0.069 0.000 0.938 73 N CB 0.516 38.913 38.487 -0.150 0.000 1.128 73 N HN -0.200 nan 8.380 nan 0.000 0.448 74 P HA 0.030 nan 4.420 nan 0.000 0.276 74 P C -0.986 176.309 177.300 -0.009 0.000 1.252 74 P CA -0.196 62.907 63.100 0.006 0.000 0.802 74 P CB 0.602 32.312 31.700 0.017 0.000 1.035 75 D N 0.560 120.958 120.400 -0.003 0.000 2.470 75 D HA 0.016 4.657 4.640 0.001 0.000 0.226 75 D C 1.278 177.587 176.300 0.015 0.000 1.196 75 D CA 0.080 54.080 54.000 -0.000 0.000 0.979 75 D CB -0.160 40.642 40.800 0.004 0.000 1.059 75 D HN 0.216 nan 8.370 nan 0.000 0.515 76 S N 2.263 117.972 115.700 0.015 0.000 2.447 76 S HA -0.122 4.348 4.470 0.001 0.000 0.233 76 S C 1.467 176.097 174.600 0.050 0.000 1.006 76 S CA 0.569 58.785 58.200 0.027 0.000 0.957 76 S CB -0.072 63.141 63.200 0.021 0.000 0.773 76 S HN 0.488 nan 8.310 nan 0.000 0.507 77 E N 0.723 120.958 120.200 0.058 0.000 2.107 77 E HA -0.115 4.236 4.350 0.001 0.000 0.191 77 E C 2.328 178.998 176.600 0.117 0.000 0.982 77 E CA 0.926 57.387 56.400 0.102 0.000 0.809 77 E CB -0.178 29.572 29.700 0.084 0.000 0.756 77 E HN 0.500 nan 8.360 nan 0.000 0.459 78 Q N 0.829 120.675 119.800 0.077 0.000 2.084 78 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 78 Q C 2.098 178.139 176.000 0.069 0.000 0.978 78 Q CA 1.578 57.424 55.803 0.070 0.000 0.844 78 Q CB -0.111 28.653 28.738 0.043 0.000 0.898 78 Q HN 0.242 nan 8.270 nan 0.000 0.426 79 A N 0.725 123.579 122.820 0.056 0.000 1.933 79 A HA -0.093 4.227 4.320 0.001 0.000 0.218 79 A C 2.317 179.941 177.584 0.066 0.000 1.175 79 A CA 1.959 54.025 52.037 0.048 0.000 0.628 79 A CB -0.790 18.229 19.000 0.033 0.000 0.814 79 A HN 0.499 nan 8.150 nan 0.000 0.444 80 A N -0.820 122.058 122.820 0.096 0.000 1.898 80 A HA -0.211 4.109 4.320 0.001 0.000 0.216 80 A C 2.211 179.927 177.584 0.219 0.000 1.181 80 A CA 1.778 53.901 52.037 0.142 0.000 0.620 80 A CB -0.577 18.491 19.000 0.114 0.000 0.819 80 A HN 0.667 nan 8.150 nan 0.000 0.442 81 Q N -0.407 119.528 119.800 0.225 0.000 2.084 81 Q HA -0.238 4.102 4.340 0.001 0.000 0.202 81 Q C 2.062 178.072 176.000 0.016 0.000 0.978 81 Q CA 1.809 57.696 55.803 0.141 0.000 0.844 81 Q CB -0.194 28.636 28.738 0.153 0.000 0.898 81 Q HN 0.800 nan 8.270 nan 0.000 0.426 82 E N -0.233 119.989 120.200 0.037 0.000 2.058 82 E HA -0.251 4.100 4.350 0.001 0.000 0.194 82 E C 1.820 178.421 176.600 0.002 0.000 0.997 82 E CA 1.263 57.670 56.400 0.013 0.000 0.801 82 E CB -0.210 29.502 29.700 0.020 0.000 0.746 82 E HN 0.471 nan 8.360 nan 0.000 0.450 83 A N 0.627 123.456 122.820 0.015 0.000 1.883 83 A HA -0.160 4.161 4.320 0.001 0.000 0.217 83 A C 2.445 180.023 177.584 -0.010 0.000 1.186 83 A CA 1.607 53.650 52.037 0.010 0.000 0.624 83 A CB -0.946 18.069 19.000 0.025 0.000 0.822 83 A HN 0.299 nan 8.150 nan 0.000 0.444 84 V N 0.690 120.568 119.914 -0.059 0.000 2.358 84 V HA -0.264 3.856 4.120 0.001 0.000 0.246 84 V C 2.104 178.168 176.094 -0.050 0.000 1.047 84 V CA 2.441 64.669 62.300 -0.120 0.000 1.035 84 V CB -0.899 30.645 31.823 -0.465 0.000 0.658 84 V HN 0.697 nan 8.190 nan 0.000 0.452 85 N N 0.384 119.036 118.700 -0.080 0.000 2.084 85 N HA -0.187 4.554 4.740 0.001 0.000 0.190 85 N C 1.487 176.984 175.510 -0.021 0.000 1.030 85 N CA 1.523 54.548 53.050 -0.041 0.000 0.849 85 N CB -0.224 38.236 38.487 -0.044 0.000 1.012 85 N HN 0.455 nan 8.380 nan 0.000 0.423 86 N N 0.936 119.627 118.700 -0.015 0.000 2.364 86 N HA -0.061 4.680 4.740 0.001 0.000 0.183 86 N C 1.205 176.713 175.510 -0.003 0.000 1.022 86 N CA 0.564 53.608 53.050 -0.011 0.000 0.883 86 N CB -0.227 38.258 38.487 -0.004 0.000 0.965 86 N HN 0.233 nan 8.380 nan 0.000 0.438 87 A N -0.464 122.372 122.820 0.027 0.000 2.235 87 A HA 0.396 4.717 4.320 0.001 0.000 0.208 87 A C 1.499 179.088 177.584 0.007 0.000 1.172 87 A CA 0.909 52.988 52.037 0.069 0.000 0.786 87 A CB -0.260 18.833 19.000 0.155 0.000 0.804 87 A HN 0.316 nan 8.150 nan 0.000 0.479 88 G N -3.219 105.532 108.800 -0.082 0.000 2.163 88 G HA2 -0.221 3.740 3.960 0.001 0.000 0.213 88 G HA3 -0.221 3.740 3.960 0.001 0.000 0.213 88 G C -0.321 174.315 174.900 -0.439 0.000 0.991 88 G CA -0.137 44.793 45.100 -0.283 0.000 0.653 88 G HN 0.414 nan 8.290 nan 0.000 0.518 89 W N 1.032 122.286 121.300 -0.076 0.000 2.475 89 W HA 0.736 5.396 4.660 0.001 0.000 0.317 89 W C 0.141 176.593 176.519 -0.112 0.000 1.046 89 W CA -0.738 56.548 57.345 -0.098 0.000 1.215 89 W CB 2.079 31.444 29.460 -0.159 0.000 1.335 89 W HN 0.121 nan 8.180 nan 0.000 0.471 90 S N 1.577 117.392 115.700 0.192 0.000 2.500 90 S HA 0.462 4.933 4.470 0.001 0.000 0.301 90 S C -0.445 174.224 174.600 0.116 0.000 1.092 90 S CA -0.792 57.473 58.200 0.109 0.000 1.030 90 S CB 1.516 64.798 63.200 0.138 0.000 1.031 90 S HN 0.204 nan 8.310 nan 0.000 0.483 91 V N 4.072 124.016 119.914 0.050 0.000 2.673 91 V HA 0.094 4.214 4.120 0.001 0.000 0.303 91 V C 0.101 176.247 176.094 0.087 0.000 1.046 91 V CA 0.368 62.712 62.300 0.074 0.000 1.126 91 V CB 0.048 31.923 31.823 0.088 0.000 0.934 91 V HN 0.680 nan 8.190 nan 0.000 0.487 92 I N 4.689 125.305 120.570 0.075 0.000 2.353 92 I HA 0.308 4.478 4.170 0.001 0.000 0.293 92 I C 0.679 176.826 176.117 0.050 0.000 0.992 92 I CA -0.076 61.238 61.300 0.022 0.000 1.268 92 I CB 1.706 39.635 38.000 -0.118 0.000 1.387 92 I HN 0.765 nan 8.210 nan 0.000 0.478 93 S N 4.596 120.313 115.700 0.027 0.000 2.617 93 S HA 0.406 4.877 4.470 0.001 0.000 0.269 93 S C 1.135 175.796 174.600 0.101 0.000 1.292 93 S CA -0.183 58.046 58.200 0.049 0.000 1.010 93 S CB 1.758 64.977 63.200 0.030 0.000 0.944 93 S HN 0.733 nan 8.310 nan 0.000 0.536 94 A N 1.809 124.715 122.820 0.143 0.000 1.972 94 A HA -0.013 4.308 4.320 0.001 0.000 0.219 94 A C 2.202 179.883 177.584 0.163 0.000 1.169 94 A CA 2.065 54.260 52.037 0.263 0.000 0.635 94 A CB -1.815 17.355 19.000 0.283 0.000 0.810 94 A HN 0.892 nan 8.150 nan 0.000 0.446 95 T N 0.026 114.638 114.554 0.096 0.000 2.746 95 T HA -0.179 4.172 4.350 0.001 0.000 0.267 95 T C 2.057 176.803 174.700 0.078 0.000 1.039 95 T CA 1.757 63.903 62.100 0.078 0.000 1.142 95 T CB -0.254 68.649 68.868 0.058 0.000 0.866 95 T HN 0.645 nan 8.240 nan 0.000 0.444 96 Q N 0.271 120.101 119.800 0.050 0.000 2.124 96 Q HA 0.045 4.385 4.340 0.001 0.000 0.202 96 Q C 2.298 178.284 176.000 -0.022 0.000 0.977 96 Q CA 1.036 56.867 55.803 0.046 0.000 0.850 96 Q CB -0.273 28.455 28.738 -0.017 0.000 0.901 96 Q HN 0.463 nan 8.270 nan 0.000 0.429 97 L N -0.833 120.309 121.223 -0.136 0.000 2.395 97 L HA 0.053 4.394 4.340 0.001 0.000 0.218 97 L C 1.140 178.055 176.870 0.076 0.000 1.130 97 L CA 0.513 55.264 54.840 -0.150 0.000 0.826 97 L CB -0.320 41.634 42.059 -0.176 0.000 0.941 97 L HN 0.444 nan 8.230 nan 0.000 0.451 98 G N -0.240 108.629 108.800 0.116 0.000 2.221 98 G HA2 -0.348 3.613 3.960 0.001 0.000 0.265 98 G HA3 -0.348 3.613 3.960 0.001 0.000 0.265 98 G C -0.124 174.879 174.900 0.171 0.000 1.041 98 G CA -0.050 45.128 45.100 0.130 0.000 0.807 98 G HN 0.313 nan 8.290 nan 0.000 0.502 99 Y N 0.232 120.569 120.300 0.061 0.000 2.316 99 Y HA 0.542 5.092 4.550 0.001 0.000 0.331 99 Y C 1.025 176.981 175.900 0.094 0.000 1.083 99 Y CA -0.453 57.699 58.100 0.086 0.000 1.206 99 Y CB 1.404 39.947 38.460 0.138 0.000 1.195 99 Y HN 0.326 nan 8.280 nan 0.000 0.497 100 A N 4.423 126.975 122.820 -0.446 0.000 2.308 100 A HA 0.348 4.669 4.320 0.001 0.000 0.217 100 A C 1.156 178.445 177.584 -0.491 0.000 1.216 100 A CA 0.471 52.301 52.037 -0.345 0.000 0.864 100 A CB -0.769 18.114 19.000 -0.195 0.000 0.902 100 A HN 0.895 nan 8.150 nan 0.000 0.499 101 G N -0.214 107.922 108.800 -1.107 0.000 2.508 101 G HA2 0.373 4.334 3.960 0.001 0.000 0.278 101 G HA3 0.373 4.334 3.960 0.001 0.000 0.278 101 G C -0.086 174.782 174.900 -0.053 0.000 1.389 101 G CA -0.610 44.146 45.100 -0.573 0.000 1.050 101 G HN 0.350 nan 8.290 nan 0.000 0.522 102 K N -0.114 120.381 120.400 0.160 0.000 2.258 102 K HA 0.441 4.762 4.320 0.001 0.000 0.284 102 K C -0.351 176.385 176.600 0.227 0.000 1.051 102 K CA -0.270 56.085 56.287 0.113 0.000 0.923 102 K CB 0.533 33.038 32.500 0.009 0.000 1.046 102 K HN 0.595 nan 8.250 nan 0.000 0.474 103 T N 0.429 115.021 114.554 0.064 0.000 2.907 103 T HA 0.338 4.689 4.350 0.001 0.000 0.292 103 T C -0.487 174.180 174.700 -0.055 0.000 1.043 103 T CA -1.023 61.081 62.100 0.008 0.000 1.003 103 T CB 1.492 70.242 68.868 -0.196 0.000 1.084 103 T HN 0.658 nan 8.240 nan 0.000 0.483 104 D N 0.822 121.243 120.400 0.035 0.000 2.529 104 D HA 0.529 5.169 4.640 0.001 0.000 0.273 104 D C 1.514 177.799 176.300 -0.026 0.000 1.197 104 D CA -0.583 53.409 54.000 -0.014 0.000 1.070 104 D CB 0.235 41.088 40.800 0.089 0.000 1.134 104 D HN 0.661 nan 8.370 nan 0.000 0.590 105 A N -0.740 122.063 122.820 -0.028 0.000 2.121 105 A HA -0.094 4.226 4.320 0.001 0.000 0.218 105 A C 1.936 179.511 177.584 -0.016 0.000 1.154 105 A CA 0.863 52.884 52.037 -0.026 0.000 0.679 105 A CB -0.597 18.388 19.000 -0.025 0.000 0.795 105 A HN 0.491 nan 8.150 nan 0.000 0.458 106 R N -1.692 118.798 120.500 -0.017 0.000 2.317 106 R HA 0.244 4.585 4.340 0.001 0.000 0.208 106 R C 1.217 177.535 176.300 0.030 0.000 0.914 106 R CA 0.579 56.682 56.100 0.006 0.000 1.060 106 R CB 0.135 30.403 30.300 -0.053 0.000 1.015 106 R HN 0.616 nan 8.270 nan 0.000 0.498 107 G N 0.586 109.369 108.800 -0.027 0.000 2.157 107 G HA2 -0.255 3.705 3.960 0.001 0.000 0.248 107 G HA3 -0.255 3.705 3.960 0.001 0.000 0.248 107 G C 0.187 174.967 174.900 -0.200 0.000 0.979 107 G CA 0.144 45.182 45.100 -0.104 0.000 0.650 107 G HN 0.284 nan 8.290 nan 0.000 0.529 108 T N 0.752 115.258 114.554 -0.079 0.000 2.907 108 T HA 0.485 4.835 4.350 0.001 0.000 0.298 108 T C -0.005 174.658 174.700 -0.062 0.000 1.017 108 T CA 0.289 62.361 62.100 -0.048 0.000 1.118 108 T CB 0.745 69.591 68.868 -0.036 0.000 0.948 108 T HN 0.216 nan 8.240 nan 0.000 0.531 109 Y N 1.297 121.645 120.300 0.081 0.000 2.334 109 Y HA 0.444 4.995 4.550 0.001 0.000 0.328 109 Y C -0.000 176.107 175.900 0.345 0.000 1.130 109 Y CA -0.696 57.538 58.100 0.223 0.000 1.163 109 Y CB 0.803 39.258 38.460 -0.008 0.000 1.207 109 Y HN 0.584 nan 8.280 nan 0.000 0.471 110 Y N 0.174 120.756 120.300 0.470 0.000 2.487 110 Y HA 0.512 5.063 4.550 0.001 0.000 0.337 110 Y C 0.861 176.912 175.900 0.251 0.000 1.076 110 Y CA -1.411 56.903 58.100 0.357 0.000 1.115 110 Y CB 1.493 40.065 38.460 0.187 0.000 1.235 110 Y HN 0.773 nan 8.280 nan 0.000 0.468 111 G N 1.126 109.964 108.800 0.062 0.000 2.391 111 G HA2 0.005 3.965 3.960 0.001 0.000 0.234 111 G HA3 0.005 3.965 3.960 0.001 0.000 0.234 111 G C 0.132 174.982 174.900 -0.084 0.000 1.284 111 G CA -0.215 44.672 45.100 -0.356 0.000 0.873 111 G HN 0.909 nan 8.290 nan 0.000 0.549 112 E N -0.043 120.065 120.200 -0.152 0.000 2.364 112 E HA 0.051 4.401 4.350 0.001 0.000 0.196 112 E C 0.633 177.230 176.600 -0.004 0.000 0.990 112 E CA 0.524 56.918 56.400 -0.009 0.000 0.886 112 E CB 0.490 30.203 29.700 0.021 0.000 0.866 112 E HN 0.408 nan 8.360 nan 0.000 0.493 113 T N 0.890 115.436 114.554 -0.013 0.000 2.856 113 T HA 0.500 4.850 4.350 0.001 0.000 0.283 113 T C -0.379 174.410 174.700 0.149 0.000 1.008 113 T CA -0.693 61.438 62.100 0.051 0.000 0.997 113 T CB 1.637 70.500 68.868 -0.008 0.000 0.992 113 T HN 0.128 nan 8.240 nan 0.000 0.454 114 A N 1.319 124.204 122.820 0.109 0.000 2.584 114 A HA 0.451 4.771 4.320 0.001 0.000 0.239 114 A C 1.598 179.236 177.584 0.090 0.000 1.043 114 A CA 0.728 52.814 52.037 0.083 0.000 0.756 114 A CB -1.006 18.027 19.000 0.055 0.000 0.963 114 A HN 1.741 nan 8.150 nan 0.000 0.511 115 G N 0.889 109.676 108.800 -0.022 0.000 2.195 115 G HA2 -0.282 3.678 3.960 0.001 0.000 0.246 115 G HA3 -0.282 3.678 3.960 0.001 0.000 0.246 115 G C 0.233 174.830 174.900 -0.504 0.000 0.984 115 G CA 0.942 45.903 45.100 -0.232 0.000 0.633 115 G HN 1.050 nan 8.290 nan 0.000 0.525 116 Y N 0.322 120.602 120.300 -0.033 0.000 2.675 116 Y HA 0.259 4.809 4.550 0.001 0.000 0.248 116 Y C 2.338 178.177 175.900 -0.102 0.000 1.161 116 Y CA 0.677 58.707 58.100 -0.116 0.000 1.203 116 Y CB 0.365 38.648 38.460 -0.295 0.000 1.262 116 Y HN 0.332 nan 8.280 nan 0.000 0.544 117 T N -3.607 110.991 114.554 0.074 0.000 3.113 117 T HA -0.111 4.240 4.350 0.001 0.000 0.263 117 T C 1.563 176.360 174.700 0.161 0.000 1.143 117 T CA 1.383 63.545 62.100 0.104 0.000 1.090 117 T CB -0.452 68.471 68.868 0.091 0.000 0.922 117 T HN 0.372 nan 8.240 nan 0.000 0.521 118 T N -1.166 113.464 114.554 0.126 0.000 3.069 118 T HA 0.621 4.972 4.350 0.001 0.000 0.252 118 T C 0.797 175.572 174.700 0.125 0.000 1.053 118 T CA -0.122 62.063 62.100 0.142 0.000 0.964 118 T CB -0.191 68.747 68.868 0.117 0.000 1.005 118 T HN 0.522 nan 8.240 nan 0.000 0.532 119 A N 1.187 124.081 122.820 0.123 0.000 2.407 119 A HA 0.629 4.950 4.320 0.001 0.000 0.248 119 A C -0.084 177.636 177.584 0.227 0.000 1.082 119 A CA -0.346 51.806 52.037 0.192 0.000 0.785 119 A CB 0.278 19.285 19.000 0.011 0.000 1.020 119 A HN 0.529 nan 8.150 nan 0.000 0.489 120 Q N -0.581 119.401 119.800 0.303 0.000 2.372 120 Q HA 0.707 5.047 4.340 0.001 0.000 0.273 120 Q C -0.716 175.373 176.000 0.149 0.000 1.078 120 Q CA 0.032 55.914 55.803 0.133 0.000 0.806 120 Q CB 2.384 31.030 28.738 -0.154 0.000 1.332 120 Q HN 1.139 nan 8.270 nan 0.000 0.435 121 A N 1.746 124.513 122.820 -0.088 0.000 2.539 121 A HA 0.813 5.133 4.320 0.001 0.000 0.296 121 A C -1.344 176.113 177.584 -0.212 0.000 1.073 121 A CA -0.751 51.039 52.037 -0.413 0.000 0.700 121 A CB 1.542 19.848 19.000 -1.157 0.000 1.296 121 A HN 0.538 nan 8.150 nan 0.000 0.405 122 E N 0.624 120.665 120.200 -0.265 0.000 2.212 122 E HA 0.553 4.903 4.350 0.001 0.000 0.268 122 E C -1.293 175.182 176.600 -0.208 0.000 0.902 122 E CA -0.635 55.719 56.400 -0.076 0.000 0.779 122 E CB 2.221 31.922 29.700 0.002 0.000 1.172 122 E HN 0.326 nan 8.360 nan 0.000 0.409 123 V N 3.823 123.692 119.914 -0.075 0.000 2.444 123 V HA 0.434 4.554 4.120 0.001 0.000 0.294 123 V C -0.446 175.615 176.094 -0.055 0.000 1.022 123 V CA -0.651 61.537 62.300 -0.187 0.000 0.850 123 V CB 1.091 32.719 31.823 -0.326 0.000 0.992 123 V HN 0.457 nan 8.190 nan 0.000 0.426 124 L N 3.575 124.762 121.223 -0.059 0.000 2.333 124 L HA 0.991 5.332 4.340 0.001 0.000 0.263 124 L C 0.475 177.484 176.870 0.231 0.000 1.014 124 L CA -0.239 54.653 54.840 0.087 0.000 0.820 124 L CB 2.108 44.215 42.059 0.080 0.000 1.352 124 L HN 0.708 nan 8.230 nan 0.000 0.421 125 G N 0.009 108.965 108.800 0.260 0.000 2.481 125 G HA2 0.658 4.618 3.960 0.001 0.000 0.315 125 G HA3 0.658 4.618 3.960 0.001 0.000 0.315 125 G C -1.798 172.974 174.900 -0.214 0.000 1.231 125 G CA -0.511 44.604 45.100 0.025 0.000 0.968 125 G HN 0.495 nan 8.290 nan 0.000 0.482 126 K N 0.513 120.506 120.400 -0.678 0.000 2.270 126 K HA 0.624 4.944 4.320 0.001 0.000 0.255 126 K C -1.525 174.631 176.600 -0.739 0.000 0.936 126 K CA -0.740 55.063 56.287 -0.807 0.000 0.809 126 K CB 1.459 33.211 32.500 -1.248 0.000 1.131 126 K HN 0.531 nan 8.250 nan 0.000 0.427 127 Y N 1.065 121.218 120.300 -0.245 0.000 2.570 127 Y HA 0.199 4.750 4.550 0.001 0.000 0.345 127 Y C 0.095 175.915 175.900 -0.133 0.000 1.014 127 Y CA -1.023 56.989 58.100 -0.146 0.000 1.063 127 Y CB 1.372 39.774 38.460 -0.097 0.000 1.272 127 Y HN 0.738 nan 8.280 nan 0.000 0.477 128 D N -0.755 119.682 120.400 0.061 0.000 2.423 128 D HA 0.167 4.807 4.640 0.001 0.000 0.255 128 D C -0.130 176.182 176.300 0.020 0.000 1.174 128 D CA -0.858 53.149 54.000 0.010 0.000 1.008 128 D CB 0.700 41.499 40.800 -0.002 0.000 1.101 128 D HN 0.391 nan 8.370 nan 0.000 0.516 129 S N -1.208 114.491 115.700 -0.002 0.000 3.455 129 S HA 0.251 4.721 4.470 0.001 0.000 0.288 129 S C 0.182 174.781 174.600 -0.002 0.000 1.231 129 S CA -0.261 57.935 58.200 -0.007 0.000 1.031 129 S CB -0.660 62.532 63.200 -0.013 0.000 1.570 129 S HN 0.631 nan 8.310 nan 0.000 0.519 130 E N 0.751 120.952 120.200 0.003 0.000 1.138 130 E HA 0.050 4.401 4.350 0.001 0.000 0.200 130 E C 0.790 177.398 176.600 0.013 0.000 0.797 130 E CA 0.171 56.574 56.400 0.005 0.000 0.854 130 E CB -0.987 28.719 29.700 0.009 0.000 4.724 130 E HN 0.942 nan 8.360 nan 0.000 0.561 131 G N 1.430 110.248 108.800 0.030 0.000 2.157 131 G HA2 -0.220 3.741 3.960 0.001 0.000 0.239 131 G HA3 -0.220 3.741 3.960 0.001 0.000 0.239 131 G C -0.238 174.766 174.900 0.173 0.000 0.982 131 G CA 0.114 45.234 45.100 0.035 0.000 0.650 131 G HN 0.092 nan 8.290 nan 0.000 0.527 132 N N 0.331 119.125 118.700 0.157 0.000 2.520 132 N HA 0.401 5.142 4.740 0.001 0.000 0.273 132 N C 0.227 175.834 175.510 0.163 0.000 1.155 132 N CA -0.358 52.786 53.050 0.156 0.000 0.967 132 N CB 1.654 40.182 38.487 0.070 0.000 1.092 132 N HN 0.346 nan 8.380 nan 0.000 0.457 133 L N 2.373 123.652 121.223 0.093 0.000 2.410 133 L HA 0.115 4.455 4.340 0.001 0.000 0.273 133 L C 1.444 178.194 176.870 -0.200 0.000 1.144 133 L CA 0.635 55.318 54.840 -0.262 0.000 0.863 133 L CB 0.395 42.254 42.059 -0.334 0.000 1.140 133 L HN 0.729 nan 8.230 nan 0.000 0.463 134 T N 1.396 115.787 114.554 -0.272 0.000 2.969 134 T HA 0.680 5.030 4.350 0.001 0.000 0.250 134 T C 0.403 175.014 174.700 -0.149 0.000 1.021 134 T CA 0.275 62.275 62.100 -0.168 0.000 1.003 134 T CB 0.213 68.992 68.868 -0.148 0.000 1.040 134 T HN 0.782 nan 8.240 nan 0.000 0.492 135 A N 0.393 123.092 122.820 -0.201 0.000 2.612 135 A HA 0.757 5.077 4.320 0.001 0.000 0.293 135 A C -1.722 175.896 177.584 0.056 0.000 1.075 135 A CA -0.967 51.041 52.037 -0.049 0.000 0.680 135 A CB 1.106 20.108 19.000 0.005 0.000 1.279 135 A HN 0.373 nan 8.150 nan 0.000 0.411 136 I N 0.826 121.507 120.570 0.186 0.000 2.509 136 I HA 0.607 4.778 4.170 0.001 0.000 0.293 136 I C 0.537 176.732 176.117 0.131 0.000 1.020 136 I CA -0.675 60.749 61.300 0.207 0.000 1.088 136 I CB 2.456 40.529 38.000 0.121 0.000 1.267 136 I HN 0.795 nan 8.210 nan 0.000 0.430 137 G N 6.440 115.207 108.800 -0.055 0.000 2.470 137 G HA2 0.770 4.730 3.960 0.001 0.000 0.320 137 G HA3 0.770 4.730 3.960 0.001 0.000 0.320 137 G C -0.989 173.657 174.900 -0.423 0.000 1.245 137 G CA -0.392 44.396 45.100 -0.520 0.000 0.935 137 G HN 0.454 nan 8.290 nan 0.000 0.476 138 I N 1.451 121.735 120.570 -0.476 0.000 2.418 138 I HA 0.423 4.594 4.170 0.001 0.000 0.287 138 I C -0.097 175.589 176.117 -0.718 0.000 1.008 138 I CA -0.637 60.300 61.300 -0.605 0.000 1.104 138 I CB 2.230 39.845 38.000 -0.641 0.000 1.264 138 I HN 0.430 nan 8.210 nan 0.000 0.438 139 S N 6.361 121.612 115.700 -0.748 0.000 2.561 139 S HA 0.672 5.142 4.470 0.001 0.000 0.303 139 S C -1.003 173.192 174.600 -0.674 0.000 1.110 139 S CA -0.434 57.401 58.200 -0.609 0.000 1.034 139 S CB 0.580 63.560 63.200 -0.367 0.000 1.010 139 S HN 0.297 nan 8.310 nan 0.000 0.482 140 F N 3.216 123.058 119.950 -0.181 0.000 2.420 140 F HA 0.542 5.070 4.527 0.001 0.000 0.342 140 F C 0.830 176.542 175.800 -0.147 0.000 1.113 140 F CA -0.876 57.044 58.000 -0.134 0.000 1.059 140 F CB 0.999 39.989 39.000 -0.018 0.000 1.128 140 F HN 0.486 nan 8.300 nan 0.000 0.475 141 R N 1.290 121.797 120.500 0.011 0.000 2.490 141 R HA 0.512 4.852 4.340 0.001 0.000 0.280 141 R C 0.611 176.842 176.300 -0.115 0.000 1.077 141 R CA -0.191 55.776 56.100 -0.221 0.000 1.065 141 R CB 0.595 30.765 30.300 -0.217 0.000 1.003 141 R HN 0.904 nan 8.270 nan 0.000 0.470 142 G N 1.093 109.727 108.800 -0.277 0.000 2.516 142 G HA2 0.036 3.997 3.960 0.001 0.000 0.276 142 G HA3 0.036 3.997 3.960 0.001 0.000 0.276 142 G C -0.698 174.300 174.900 0.162 0.000 1.390 142 G CA -0.560 44.589 45.100 0.083 0.000 1.050 142 G HN 0.590 nan 8.290 nan 0.000 0.519 143 T N 0.715 115.436 114.554 0.278 0.000 2.902 143 T HA 0.421 4.772 4.350 0.001 0.000 0.301 143 T C 0.366 175.226 174.700 0.268 0.000 1.012 143 T CA 1.179 63.424 62.100 0.241 0.000 1.151 143 T CB -0.083 68.930 68.868 0.242 0.000 0.946 143 T HN 1.760 nan 8.240 nan 0.000 0.542 144 S N 1.284 117.093 115.700 0.183 0.000 3.424 144 S HA 0.385 4.855 4.470 0.001 0.000 0.533 144 S C -0.457 174.207 174.600 0.108 0.000 0.648 144 S CA -0.809 57.486 58.200 0.158 0.000 1.260 144 S CB -0.633 62.695 63.200 0.213 0.000 1.339 144 S HN 1.426 nan 8.310 nan 0.000 0.484 145 G N -0.481 108.371 108.800 0.087 0.000 2.682 145 G HA2 0.779 4.739 3.960 0.001 0.000 0.303 145 G HA3 0.779 4.739 3.960 0.001 0.000 0.303 145 G C -3.616 171.303 174.900 0.031 0.000 1.341 145 G CA -0.878 44.248 45.100 0.042 0.000 0.784 145 G HN 0.734 nan 8.290 nan 0.000 0.497 146 P HA 0.167 nan 4.420 nan 0.000 0.265 146 P C 0.848 178.153 177.300 0.008 0.000 1.187 146 P CA -0.056 63.030 63.100 -0.023 0.000 0.766 146 P CB 0.726 32.426 31.700 0.001 0.000 0.820 147 R N 1.887 122.385 120.500 -0.004 0.000 2.117 147 R HA -0.221 4.120 4.340 0.001 0.000 0.243 147 R C 1.495 177.799 176.300 0.006 0.000 1.143 147 R CA 1.702 57.806 56.100 0.007 0.000 0.968 147 R CB -0.320 29.977 30.300 -0.004 0.000 0.863 147 R HN 0.552 nan 8.270 nan 0.000 0.444 148 E N -0.203 119.996 120.200 -0.001 0.000 2.338 148 E HA -0.086 4.265 4.350 0.001 0.000 0.197 148 E C 0.845 177.453 176.600 0.013 0.000 1.007 148 E CA 1.309 57.709 56.400 -0.000 0.000 0.849 148 E CB 0.271 29.966 29.700 -0.007 0.000 0.774 148 E HN 0.307 nan 8.360 nan 0.000 0.506 149 S N -0.851 114.866 115.700 0.029 0.000 2.902 149 S HA 0.198 4.669 4.470 0.001 0.000 0.250 149 S C 0.995 175.624 174.600 0.047 0.000 1.046 149 S CA -0.512 57.712 58.200 0.040 0.000 1.069 149 S CB 0.023 63.258 63.200 0.058 0.000 0.967 149 S HN 0.071 nan 8.310 nan 0.000 0.530 150 L N 1.821 123.068 121.223 0.040 0.000 2.012 150 L HA 0.133 4.474 4.340 0.001 0.000 0.210 150 L C 1.910 178.809 176.870 0.048 0.000 1.073 150 L CA 1.851 56.719 54.840 0.047 0.000 0.748 150 L CB -0.562 41.523 42.059 0.044 0.000 0.891 150 L HN 0.508 nan 8.230 nan 0.000 0.431 151 I N -0.944 119.649 120.570 0.038 0.000 2.202 151 I HA -0.180 3.991 4.170 0.001 0.000 0.242 151 I C 2.436 178.573 176.117 0.034 0.000 1.091 151 I CA 1.250 62.570 61.300 0.033 0.000 1.368 151 I CB -1.074 36.941 38.000 0.025 0.000 1.058 151 I HN 0.409 nan 8.210 nan 0.000 0.410 152 G N -0.013 108.808 108.800 0.036 0.000 2.408 152 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 152 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 152 G C 1.427 176.358 174.900 0.051 0.000 1.150 152 G CA 0.759 45.881 45.100 0.037 0.000 0.776 152 G HN 0.346 nan 8.290 nan 0.000 0.542 153 D N 0.065 120.503 120.400 0.063 0.000 2.117 153 D HA -0.100 4.540 4.640 0.001 0.000 0.198 153 D C 2.433 178.778 176.300 0.076 0.000 0.982 153 D CA 1.441 55.490 54.000 0.081 0.000 0.828 153 D CB 0.006 40.862 40.800 0.093 0.000 0.967 153 D HN 0.209 nan 8.370 nan 0.000 0.464 154 T N 1.155 115.750 114.554 0.069 0.000 2.720 154 T HA -0.115 4.236 4.350 0.001 0.000 0.268 154 T C 2.168 176.901 174.700 0.054 0.000 1.037 154 T CA 0.711 62.852 62.100 0.068 0.000 1.144 154 T CB -0.133 68.770 68.868 0.059 0.000 0.864 154 T HN 0.214 nan 8.240 nan 0.000 0.444 155 I N 1.115 121.709 120.570 0.041 0.000 2.208 155 I HA -0.138 4.033 4.170 0.001 0.000 0.245 155 I C 2.881 179.018 176.117 0.033 0.000 1.097 155 I CA 1.300 62.617 61.300 0.028 0.000 1.363 155 I CB -0.749 37.262 38.000 0.018 0.000 1.051 155 I HN 0.319 nan 8.210 nan 0.000 0.413 156 G N 0.543 109.370 108.800 0.044 0.000 2.440 156 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 156 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 156 G C 1.246 176.186 174.900 0.067 0.000 1.154 156 G CA 0.992 46.120 45.100 0.046 0.000 0.767 156 G HN 0.293 nan 8.290 nan 0.000 0.552 157 D N 0.232 120.687 120.400 0.091 0.000 2.117 157 D HA -0.092 4.549 4.640 0.001 0.000 0.197 157 D C 2.733 179.092 176.300 0.098 0.000 0.987 157 D CA 0.702 54.774 54.000 0.120 0.000 0.829 157 D CB -0.497 40.380 40.800 0.128 0.000 0.961 157 D HN 0.204 nan 8.370 nan 0.000 0.460 158 V N 1.201 121.157 119.914 0.070 0.000 2.407 158 V HA -0.197 3.923 4.120 0.001 0.000 0.248 158 V C 2.476 178.594 176.094 0.040 0.000 1.055 158 V CA 0.958 63.290 62.300 0.053 0.000 1.049 158 V CB -0.305 31.533 31.823 0.025 0.000 0.662 158 V HN 0.202 nan 8.190 nan 0.000 0.455 159 I N 0.441 121.027 120.570 0.026 0.000 2.226 159 I HA -0.270 3.900 4.170 0.001 0.000 0.245 159 I C 2.201 178.315 176.117 -0.004 0.000 1.100 159 I CA 2.029 63.328 61.300 -0.002 0.000 1.374 159 I CB -0.589 37.401 38.000 -0.016 0.000 1.057 159 I HN 0.417 nan 8.210 nan 0.000 0.413 160 N N 0.684 119.422 118.700 0.062 0.000 2.120 160 N HA -0.197 4.543 4.740 0.001 0.000 0.188 160 N C 1.398 176.973 175.510 0.108 0.000 1.024 160 N CA 1.340 54.490 53.050 0.166 0.000 0.852 160 N CB -0.063 38.618 38.487 0.323 0.000 1.003 160 N HN 0.297 nan 8.380 nan 0.000 0.424 161 D N 0.903 121.350 120.400 0.078 0.000 2.123 161 D HA -0.124 4.517 4.640 0.001 0.000 0.196 161 D C 1.982 178.319 176.300 0.061 0.000 0.992 161 D CA 0.879 54.919 54.000 0.066 0.000 0.833 161 D CB -0.282 40.578 40.800 0.100 0.000 0.954 161 D HN 0.287 nan 8.370 nan 0.000 0.455 162 L N 0.198 121.461 121.223 0.067 0.000 2.093 162 L HA -0.085 4.256 4.340 0.001 0.000 0.208 162 L C 2.564 179.479 176.870 0.075 0.000 1.085 162 L CA 0.425 55.354 54.840 0.150 0.000 0.755 162 L CB -0.258 41.853 42.059 0.086 0.000 0.904 162 L HN 0.004 nan 8.230 nan 0.000 0.435 163 L N -0.431 120.689 121.223 -0.173 0.000 2.093 163 L HA -0.170 4.171 4.340 0.001 0.000 0.208 163 L C 2.875 179.482 176.870 -0.438 0.000 1.085 163 L CA 0.979 55.522 54.840 -0.496 0.000 0.755 163 L CB -0.668 40.688 42.059 -1.171 0.000 0.904 163 L HN 0.237 nan 8.230 nan 0.000 0.435 164 A N 0.203 122.905 122.820 -0.197 0.000 1.908 164 A HA -0.153 4.167 4.320 0.001 0.000 0.218 164 A C 2.359 179.889 177.584 -0.089 0.000 1.181 164 A CA 1.958 54.009 52.037 0.023 0.000 0.627 164 A CB -1.109 17.929 19.000 0.063 0.000 0.818 164 A HN 0.448 nan 8.150 nan 0.000 0.445 165 G N -2.363 106.336 108.800 -0.170 0.000 2.426 165 G HA2 0.167 4.127 3.960 0.001 0.000 0.214 165 G HA3 0.167 4.127 3.960 0.001 0.000 0.214 165 G C 0.926 175.427 174.900 -0.666 0.000 1.156 165 G CA 0.825 45.640 45.100 -0.474 0.000 0.802 165 G HN 0.473 nan 8.290 nan 0.000 0.534 166 F N 0.445 120.355 119.950 -0.067 0.000 2.729 166 F HA 0.413 4.941 4.527 0.001 0.000 0.315 166 F C 1.530 177.285 175.800 -0.075 0.000 1.102 166 F CA -0.572 57.394 58.000 -0.057 0.000 1.204 166 F CB 0.753 39.723 39.000 -0.051 0.000 1.052 166 F HN 0.192 nan 8.300 nan 0.000 0.551 167 G N 0.297 109.102 108.800 0.008 0.000 2.641 167 G HA2 0.486 4.447 3.960 0.001 0.000 0.239 167 G HA3 0.486 4.447 3.960 0.001 0.000 0.239 167 G C -2.374 172.533 174.900 0.012 0.000 1.402 167 G CA -1.318 43.753 45.100 -0.048 0.000 1.046 167 G HN -0.179 nan 8.290 nan 0.000 0.565 168 P HA 0.172 nan 4.420 nan 0.000 0.267 168 P C 0.466 177.830 177.300 0.107 0.000 1.200 168 P CA -0.015 63.144 63.100 0.098 0.000 0.772 168 P CB 0.795 32.588 31.700 0.154 0.000 0.855 169 K N 1.192 121.635 120.400 0.072 0.000 2.152 169 K HA -0.086 4.235 4.320 0.001 0.000 0.206 169 K C 1.813 178.455 176.600 0.069 0.000 1.048 169 K CA 1.664 57.985 56.287 0.055 0.000 0.933 169 K CB -0.440 32.082 32.500 0.036 0.000 0.721 169 K HN 0.633 nan 8.250 nan 0.000 0.447 170 G N -0.912 107.938 108.800 0.084 0.000 3.189 170 G HA2 -0.121 3.839 3.960 0.001 0.000 0.225 170 G HA3 -0.121 3.839 3.960 0.001 0.000 0.225 170 G C 0.840 175.794 174.900 0.091 0.000 1.159 170 G CA -0.325 44.813 45.100 0.064 0.000 0.763 170 G HN 0.195 nan 8.290 nan 0.000 0.549 171 Y N 2.013 122.338 120.300 0.041 0.000 2.070 171 Y HA -0.155 4.395 4.550 0.001 0.000 0.280 171 Y C 2.862 178.818 175.900 0.092 0.000 1.148 171 Y CA 2.111 60.260 58.100 0.082 0.000 1.125 171 Y CB -0.136 38.374 38.460 0.084 0.000 0.975 171 Y HN 0.246 nan 8.280 nan 0.000 0.492 172 A N 0.105 123.046 122.820 0.202 0.000 1.883 172 A HA -0.249 4.072 4.320 0.001 0.000 0.217 172 A C 1.970 179.553 177.584 -0.002 0.000 1.186 172 A CA 2.156 54.248 52.037 0.091 0.000 0.624 172 A CB -1.033 17.997 19.000 0.051 0.000 0.822 172 A HN 0.565 nan 8.150 nan 0.000 0.444 173 D N -0.571 119.817 120.400 -0.021 0.000 2.182 173 D HA -0.104 4.537 4.640 0.001 0.000 0.201 173 D C 1.897 178.140 176.300 -0.095 0.000 0.986 173 D CA 1.524 55.482 54.000 -0.071 0.000 0.847 173 D CB -0.524 40.235 40.800 -0.068 0.000 0.942 173 D HN 0.490 nan 8.370 nan 0.000 0.467 174 G N -0.983 107.749 108.800 -0.114 0.000 2.777 174 G HA2 -0.184 3.777 3.960 0.001 0.000 0.211 174 G HA3 -0.184 3.777 3.960 0.001 0.000 0.211 174 G C 1.387 176.139 174.900 -0.248 0.000 1.149 174 G CA -0.096 44.896 45.100 -0.180 0.000 0.785 174 G HN 0.260 nan 8.290 nan 0.000 0.536 175 Y N 2.079 122.186 120.300 -0.321 0.000 2.081 175 Y HA -0.257 4.293 4.550 0.001 0.000 0.280 175 Y C 2.913 178.627 175.900 -0.311 0.000 1.163 175 Y CA 2.570 60.487 58.100 -0.305 0.000 1.135 175 Y CB -0.282 38.088 38.460 -0.149 0.000 0.970 175 Y HN 0.192 nan 8.280 nan 0.000 0.498 176 T N 0.924 115.408 114.554 -0.117 0.000 2.904 176 T HA -0.149 4.202 4.350 0.001 0.000 0.267 176 T C 1.726 176.384 174.700 -0.069 0.000 1.059 176 T CA 1.192 63.203 62.100 -0.149 0.000 1.137 176 T CB -0.510 68.268 68.868 -0.150 0.000 0.879 176 T HN 0.279 nan 8.240 nan 0.000 0.467 177 L N 1.178 122.366 121.223 -0.058 0.000 2.017 177 L HA -0.006 4.334 4.340 0.001 0.000 0.208 177 L C 2.090 178.842 176.870 -0.196 0.000 1.073 177 L CA 1.799 56.627 54.840 -0.020 0.000 0.745 177 L CB -0.409 41.577 42.059 -0.122 0.000 0.894 177 L HN -0.074 nan 8.230 nan 0.000 0.432 178 K N -0.201 119.920 120.400 -0.466 0.000 2.103 178 K HA 0.080 4.401 4.320 0.001 0.000 0.204 178 K C 2.078 178.235 176.600 -0.737 0.000 1.052 178 K CA 1.295 57.164 56.287 -0.698 0.000 0.945 178 K CB -0.751 30.969 32.500 -1.300 0.000 0.722 178 K HN 0.446 nan 8.250 nan 0.000 0.443 179 A N -0.237 122.075 122.820 -0.847 0.000 1.898 179 A HA 0.026 4.347 4.320 0.001 0.000 0.214 179 A C 0.974 178.050 177.584 -0.846 0.000 1.183 179 A CA 0.973 52.461 52.037 -0.915 0.000 0.622 179 A CB -0.101 18.172 19.000 -1.213 0.000 0.824 179 A HN 0.226 nan 8.150 nan 0.000 0.444 180 F N -1.114 118.775 119.950 -0.102 0.000 2.815 180 F HA 0.313 4.840 4.527 0.001 0.000 0.323 180 F C 1.873 177.726 175.800 0.089 0.000 1.151 180 F CA -0.478 57.525 58.000 0.005 0.000 1.191 180 F CB -0.132 38.880 39.000 0.020 0.000 1.069 180 F HN 0.187 nan 8.300 nan 0.000 0.514 181 G N 0.755 109.713 108.800 0.264 0.000 2.476 181 G HA2 -0.333 3.627 3.960 0.001 0.000 0.218 181 G HA3 -0.333 3.627 3.960 0.001 0.000 0.218 181 G C 1.506 176.683 174.900 0.462 0.000 1.164 181 G CA 1.515 46.884 45.100 0.448 0.000 0.768 181 G HN 0.389 nan 8.290 nan 0.000 0.560 182 N N -0.195 118.686 118.700 0.302 0.000 2.106 182 N HA -0.062 4.678 4.740 0.001 0.000 0.188 182 N C 2.059 177.747 175.510 0.296 0.000 1.029 182 N CA 0.844 54.073 53.050 0.299 0.000 0.848 182 N CB -0.172 38.480 38.487 0.276 0.000 1.007 182 N HN 0.238 nan 8.380 nan 0.000 0.423 183 L N 1.433 122.804 121.223 0.246 0.000 2.012 183 L HA -0.120 4.220 4.340 0.001 0.000 0.210 183 L C 1.722 178.493 176.870 -0.165 0.000 1.073 183 L CA 1.553 56.315 54.840 -0.130 0.000 0.748 183 L CB -0.552 41.282 42.059 -0.376 0.000 0.891 183 L HN 0.222 nan 8.230 nan 0.000 0.431 184 L N -0.774 120.367 121.223 -0.136 0.000 2.201 184 L HA -0.094 4.246 4.340 0.001 0.000 0.212 184 L C 2.494 179.272 176.870 -0.153 0.000 1.105 184 L CA 0.988 55.612 54.840 -0.359 0.000 0.775 184 L CB -1.293 40.191 42.059 -0.959 0.000 0.913 184 L HN 0.492 nan 8.230 nan 0.000 0.440 185 G N -0.249 108.618 108.800 0.112 0.000 2.421 185 G HA2 -0.243 3.717 3.960 0.001 0.000 0.216 185 G HA3 -0.243 3.717 3.960 0.001 0.000 0.216 185 G C 1.140 176.096 174.900 0.093 0.000 1.171 185 G CA 0.757 46.007 45.100 0.251 0.000 0.775 185 G HN 0.280 nan 8.290 nan 0.000 0.543 186 D N 0.235 120.683 120.400 0.080 0.000 2.144 186 D HA -0.080 4.560 4.640 0.001 0.000 0.199 186 D C 2.768 179.073 176.300 0.007 0.000 0.984 186 D CA 0.630 54.666 54.000 0.061 0.000 0.834 186 D CB -0.360 40.505 40.800 0.109 0.000 0.955 186 D HN 0.209 nan 8.370 nan 0.000 0.465 187 V N 1.464 121.339 119.914 -0.066 0.000 2.343 187 V HA -0.221 3.900 4.120 0.001 0.000 0.247 187 V C 2.560 178.625 176.094 -0.049 0.000 1.051 187 V CA 1.714 63.988 62.300 -0.044 0.000 1.036 187 V CB -0.809 30.954 31.823 -0.100 0.000 0.654 187 V HN 0.174 nan 8.190 nan 0.000 0.451 188 A N -0.036 122.658 122.820 -0.210 0.000 1.908 188 A HA -0.249 4.071 4.320 0.001 0.000 0.218 188 A C 2.296 179.521 177.584 -0.599 0.000 1.181 188 A CA 2.031 53.597 52.037 -0.786 0.000 0.627 188 A CB -0.428 18.083 19.000 -0.815 0.000 0.818 188 A HN 0.565 nan 8.150 nan 0.000 0.445 189 K N -1.624 118.639 120.400 -0.228 0.000 2.057 189 K HA -0.110 4.210 4.320 0.001 0.000 0.207 189 K C 1.828 178.421 176.600 -0.011 0.000 1.049 189 K CA 1.520 57.746 56.287 -0.102 0.000 0.931 189 K CB -0.365 32.136 32.500 0.002 0.000 0.714 189 K HN 0.507 nan 8.250 nan 0.000 0.440 190 F N 2.006 121.907 119.950 -0.082 0.000 2.102 190 F HA -0.208 4.320 4.527 0.001 0.000 0.298 190 F C 2.259 178.094 175.800 0.059 0.000 1.105 190 F CA 1.400 59.413 58.000 0.023 0.000 1.239 190 F CB -0.397 38.601 39.000 -0.004 0.000 0.991 190 F HN -0.018 nan 8.300 nan 0.000 0.474 191 A N 0.204 123.006 122.820 -0.030 0.000 1.865 191 A HA -0.268 4.053 4.320 0.001 0.000 0.217 191 A C 2.158 179.707 177.584 -0.058 0.000 1.191 191 A CA 2.012 54.008 52.037 -0.069 0.000 0.623 191 A CB -1.038 17.980 19.000 0.030 0.000 0.826 191 A HN 0.615 nan 8.150 nan 0.000 0.444 192 Q N -0.841 118.885 119.800 -0.123 0.000 2.135 192 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 192 Q C 2.341 178.305 176.000 -0.060 0.000 0.981 192 Q CA 1.340 57.116 55.803 -0.045 0.000 0.856 192 Q CB -0.399 28.291 28.738 -0.081 0.000 0.902 192 Q HN 0.696 nan 8.270 nan 0.000 0.425 193 A N 0.313 123.074 122.820 -0.100 0.000 2.070 193 A HA -0.163 4.158 4.320 0.001 0.000 0.220 193 A C 0.927 178.336 177.584 -0.292 0.000 1.159 193 A CA 1.280 53.218 52.037 -0.165 0.000 0.656 193 A CB -0.369 18.532 19.000 -0.164 0.000 0.800 193 A HN 0.352 nan 8.150 nan 0.000 0.453 194 H N -1.779 117.144 119.070 -0.244 0.000 2.520 194 H HA 0.380 4.937 4.556 0.001 0.000 0.284 194 H C 1.418 176.668 175.328 -0.129 0.000 1.037 194 H CA 0.414 56.326 56.048 -0.227 0.000 1.168 194 H CB 0.299 29.839 29.762 -0.370 0.000 1.497 194 H HN 0.528 nan 8.280 nan 0.000 0.547 195 G N 0.634 109.425 108.800 -0.015 0.000 2.143 195 G HA2 -0.275 3.685 3.960 0.001 0.000 0.248 195 G HA3 -0.275 3.685 3.960 0.001 0.000 0.248 195 G C 0.012 174.926 174.900 0.025 0.000 0.991 195 G CA 0.176 45.276 45.100 0.000 0.000 0.689 195 G HN 0.290 nan 8.290 nan 0.000 0.522 196 L N 0.735 121.988 121.223 0.050 0.000 2.360 196 L HA 0.736 5.076 4.340 0.001 0.000 0.271 196 L C 1.016 177.978 176.870 0.154 0.000 1.057 196 L CA -0.155 54.729 54.840 0.073 0.000 0.803 196 L CB 1.687 43.788 42.059 0.069 0.000 1.207 196 L HN 0.412 nan 8.230 nan 0.000 0.445 197 S N -0.207 115.525 115.700 0.053 0.000 2.806 197 S HA 0.467 4.938 4.470 0.001 0.000 0.315 197 S C 0.930 175.281 174.600 -0.415 0.000 1.127 197 S CA -0.106 58.020 58.200 -0.124 0.000 0.918 197 S CB 1.302 64.419 63.200 -0.138 0.000 1.240 197 S HN 0.737 nan 8.310 nan 0.000 0.552 198 G N 0.225 108.474 108.800 -0.919 0.000 2.469 198 G HA2 -0.154 3.807 3.960 0.001 0.000 0.220 198 G HA3 -0.154 3.807 3.960 0.001 0.000 0.220 198 G C 0.980 175.717 174.900 -0.270 0.000 1.136 198 G CA 0.855 45.496 45.100 -0.765 0.000 0.759 198 G HN 0.849 nan 8.290 nan 0.000 0.562 199 E N 0.558 120.649 120.200 -0.181 0.000 2.409 199 E HA -0.055 4.296 4.350 0.001 0.000 0.198 199 E C 1.013 177.592 176.600 -0.035 0.000 1.024 199 E CA 0.577 56.936 56.400 -0.068 0.000 0.861 199 E CB 0.065 29.742 29.700 -0.039 0.000 0.788 199 E HN 0.386 nan 8.360 nan 0.000 0.521 200 D N 0.591 120.966 120.400 -0.042 0.000 2.328 200 D HA 0.017 4.658 4.640 0.001 0.000 0.226 200 D C -0.162 176.159 176.300 0.034 0.000 1.066 200 D CA 0.304 54.306 54.000 0.003 0.000 0.861 200 D CB 0.641 41.446 40.800 0.008 0.000 0.912 200 D HN -0.052 nan 8.370 nan 0.000 0.521 201 V N 1.257 121.176 119.914 0.008 0.000 2.459 201 V HA 0.265 4.386 4.120 0.001 0.000 0.295 201 V C 0.074 176.115 176.094 -0.088 0.000 1.029 201 V CA -0.930 61.375 62.300 0.009 0.000 0.874 201 V CB 2.555 34.428 31.823 0.084 0.000 0.985 201 V HN -0.189 nan 8.190 nan 0.000 0.438 202 V N 6.562 126.400 119.914 -0.127 0.000 2.435 202 V HA 0.679 4.799 4.120 0.001 0.000 0.290 202 V C -0.576 175.323 176.094 -0.326 0.000 1.030 202 V CA -0.141 62.019 62.300 -0.234 0.000 0.881 202 V CB 1.902 33.599 31.823 -0.211 0.000 0.983 202 V HN 0.646 nan 8.190 nan 0.000 0.445 203 V N 6.318 126.027 119.914 -0.342 0.000 2.448 203 V HA 0.758 4.878 4.120 0.001 0.000 0.295 203 V C 0.053 176.051 176.094 -0.160 0.000 1.025 203 V CA 0.007 62.138 62.300 -0.282 0.000 0.859 203 V CB 1.459 33.135 31.823 -0.245 0.000 0.988 203 V HN 1.014 nan 8.190 nan 0.000 0.431 204 S N 2.385 117.991 115.700 -0.157 0.000 2.705 204 S HA 0.995 5.466 4.470 0.001 0.000 0.280 204 S C -0.446 174.172 174.600 0.030 0.000 1.174 204 S CA 0.155 58.326 58.200 -0.048 0.000 0.823 204 S CB 2.105 65.264 63.200 -0.068 0.000 1.162 204 S HN 1.664 nan 8.310 nan 0.000 0.487 205 G N 0.376 109.257 108.800 0.135 0.000 2.350 205 G HA2 0.380 4.341 3.960 0.001 0.000 0.305 205 G HA3 0.380 4.341 3.960 0.001 0.000 0.305 205 G C -2.011 173.030 174.900 0.235 0.000 1.479 205 G CA -0.698 44.491 45.100 0.148 0.000 0.949 205 G HN 1.014 nan 8.290 nan 0.000 0.651 206 H N 0.004 119.112 119.070 0.063 0.000 2.600 206 H HA 0.758 5.315 4.556 0.001 0.000 0.357 206 H C 0.776 176.146 175.328 0.070 0.000 1.106 206 H CA 1.164 57.240 56.048 0.047 0.000 1.193 206 H CB 1.948 31.710 29.762 0.001 0.000 1.594 206 H HN 1.718 nan 8.280 nan 0.000 0.526 207 S N 2.381 117.873 115.700 -0.348 0.000 4.118 207 S HA -0.315 4.155 4.470 0.001 0.000 0.624 207 S C 1.236 175.845 174.600 0.014 0.000 1.929 207 S CA 1.211 59.364 58.200 -0.078 0.000 4.219 207 S CB -1.448 61.875 63.200 0.205 0.000 0.206 207 S HN 0.814 nan 8.310 nan 0.000 0.525 208 L N 2.919 124.181 121.223 0.065 0.000 2.129 208 L HA 0.131 4.471 4.340 0.001 0.000 0.212 208 L C 2.369 179.199 176.870 -0.067 0.000 1.087 208 L CA 3.119 57.933 54.840 -0.044 0.000 0.757 208 L CB -1.343 40.705 42.059 -0.018 0.000 0.896 208 L HN 0.719 nan 8.230 nan 0.000 0.434 209 G N -1.347 107.478 108.800 0.041 0.000 2.422 209 G HA2 -0.155 3.806 3.960 0.001 0.000 0.218 209 G HA3 -0.155 3.806 3.960 0.001 0.000 0.218 209 G C 1.493 176.455 174.900 0.103 0.000 1.140 209 G CA 0.498 45.665 45.100 0.110 0.000 0.775 209 G HN 0.587 nan 8.290 nan 0.000 0.545 210 G N 0.832 109.663 108.800 0.052 0.000 2.402 210 G HA2 -0.134 3.826 3.960 0.001 0.000 0.216 210 G HA3 -0.134 3.826 3.960 0.001 0.000 0.216 210 G C 1.735 176.632 174.900 -0.005 0.000 1.162 210 G CA 0.744 45.867 45.100 0.039 0.000 0.777 210 G HN 0.437 nan 8.290 nan 0.000 0.539 211 L N 0.708 121.896 121.223 -0.059 0.000 2.042 211 L HA -0.017 4.324 4.340 0.001 0.000 0.210 211 L C 3.086 179.873 176.870 -0.139 0.000 1.076 211 L CA 1.850 56.623 54.840 -0.111 0.000 0.749 211 L CB -0.237 41.717 42.059 -0.176 0.000 0.893 211 L HN 0.255 nan 8.230 nan 0.000 0.432 212 A N -0.902 121.810 122.820 -0.181 0.000 1.972 212 A HA -0.126 4.194 4.320 0.001 0.000 0.219 212 A C 2.179 179.587 177.584 -0.292 0.000 1.169 212 A CA 1.688 53.555 52.037 -0.283 0.000 0.635 212 A CB -0.837 17.883 19.000 -0.466 0.000 0.810 212 A HN 0.356 nan 8.150 nan 0.000 0.446 213 V N 0.936 120.833 119.914 -0.028 0.000 2.307 213 V HA -0.259 3.862 4.120 0.001 0.000 0.245 213 V C 2.293 178.403 176.094 0.026 0.000 1.045 213 V CA 2.071 64.460 62.300 0.147 0.000 1.024 213 V CB -0.854 31.087 31.823 0.198 0.000 0.651 213 V HN 0.592 nan 8.190 nan 0.000 0.449 214 N N -0.143 118.542 118.700 -0.024 0.000 2.166 214 N HA -0.162 4.578 4.740 0.001 0.000 0.186 214 N C 2.169 177.591 175.510 -0.148 0.000 1.019 214 N CA 1.708 54.726 53.050 -0.054 0.000 0.856 214 N CB -0.180 38.303 38.487 -0.006 0.000 0.993 214 N HN 0.458 nan 8.380 nan 0.000 0.426 215 S N 1.297 116.917 115.700 -0.133 0.000 2.359 215 S HA -0.115 4.355 4.470 0.001 0.000 0.224 215 S C 2.008 176.516 174.600 -0.153 0.000 1.035 215 S CA 0.967 59.080 58.200 -0.145 0.000 1.018 215 S CB -0.138 63.014 63.200 -0.080 0.000 0.876 215 S HN 0.258 nan 8.310 nan 0.000 0.448 216 M N 0.921 120.454 119.600 -0.111 0.000 2.080 216 M HA -0.104 4.376 4.480 0.001 0.000 0.260 216 M C 2.177 178.410 176.300 -0.112 0.000 1.068 216 M CA 1.833 57.136 55.300 0.005 0.000 1.109 216 M CB -0.559 32.101 32.600 0.100 0.000 1.342 216 M HN 0.470 nan 8.290 nan 0.000 0.405 217 A N 0.244 122.769 122.820 -0.492 0.000 1.908 217 A HA -0.141 4.180 4.320 0.001 0.000 0.218 217 A C 2.274 179.464 177.584 -0.657 0.000 1.181 217 A CA 2.112 53.658 52.037 -0.817 0.000 0.627 217 A CB -1.273 17.191 19.000 -0.894 0.000 0.818 217 A HN 0.681 nan 8.150 nan 0.000 0.445 218 A N -1.616 120.653 122.820 -0.918 0.000 2.019 218 A HA -0.118 4.202 4.320 0.001 0.000 0.219 218 A C 1.952 179.230 177.584 -0.510 0.000 1.164 218 A CA 1.513 52.799 52.037 -1.252 0.000 0.644 218 A CB -0.244 18.216 19.000 -0.901 0.000 0.805 218 A HN 0.514 nan 8.150 nan 0.000 0.449 219 Q N -0.334 119.321 119.800 -0.241 0.000 2.319 219 Q HA 0.022 4.362 4.340 0.001 0.000 0.202 219 Q C 1.945 177.972 176.000 0.044 0.000 0.896 219 Q CA 0.966 56.708 55.803 -0.101 0.000 0.942 219 Q CB 0.056 28.756 28.738 -0.065 0.000 1.083 219 Q HN 0.811 nan 8.270 nan 0.000 0.510 220 S N -0.004 115.780 115.700 0.141 0.000 2.461 220 S HA -0.061 4.409 4.470 0.001 0.000 0.228 220 S C 1.190 175.944 174.600 0.257 0.000 1.005 220 S CA 0.588 59.004 58.200 0.360 0.000 0.942 220 S CB 0.131 63.570 63.200 0.399 0.000 0.776 220 S HN 0.107 nan 8.310 nan 0.000 0.514 221 D N 2.168 122.648 120.400 0.133 0.000 2.149 221 D HA 0.162 4.803 4.640 0.001 0.000 0.201 221 D C 2.003 178.348 176.300 0.075 0.000 0.972 221 D CA 1.379 55.445 54.000 0.110 0.000 0.835 221 D CB -0.226 40.625 40.800 0.085 0.000 0.966 221 D HN 0.597 nan 8.370 nan 0.000 0.476 222 A N 0.050 122.883 122.820 0.021 0.000 2.063 222 A HA 0.057 4.378 4.320 0.001 0.000 0.211 222 A C 1.123 178.652 177.584 -0.092 0.000 1.177 222 A CA 0.105 52.122 52.037 -0.034 0.000 0.759 222 A CB 0.295 19.255 19.000 -0.068 0.000 0.857 222 A HN 0.058 nan 8.150 nan 0.000 0.468 223 N N -1.343 117.259 118.700 -0.162 0.000 2.485 223 N HA 0.226 4.966 4.740 0.001 0.000 0.280 223 N C -0.457 175.008 175.510 -0.074 0.000 1.205 223 N CA -0.418 52.372 53.050 -0.433 0.000 0.959 223 N CB 0.385 38.141 38.487 -1.218 0.000 1.206 223 N HN 0.412 nan 8.380 nan 0.000 0.545 224 W N -0.111 121.273 121.300 0.139 0.000 5.538 224 W HA -0.208 4.452 4.660 0.001 0.000 0.377 224 W C 1.032 177.639 176.519 0.147 0.000 1.406 224 W CA 0.650 58.099 57.345 0.173 0.000 0.940 224 W CB -2.264 27.398 29.460 0.336 0.000 2.536 224 W HN 0.978 nan 8.180 nan 0.000 1.504 225 G N -1.106 107.816 108.800 0.203 0.000 2.187 225 G HA2 0.024 3.985 3.960 0.001 0.000 0.261 225 G HA3 0.024 3.985 3.960 0.001 0.000 0.261 225 G C 1.272 176.282 174.900 0.184 0.000 1.000 225 G CA 1.452 46.647 45.100 0.158 0.000 0.718 225 G HN 1.802 nan 8.290 nan 0.000 0.519 226 G N -1.577 107.362 108.800 0.232 0.000 2.162 226 G HA2 -0.252 3.709 3.960 0.001 0.000 0.260 226 G HA3 -0.252 3.709 3.960 0.001 0.000 0.260 226 G C 1.014 176.047 174.900 0.222 0.000 0.976 226 G CA 1.059 46.288 45.100 0.215 0.000 0.655 226 G HN 1.519 nan 8.290 nan 0.000 0.533 227 F N 0.583 120.591 119.950 0.096 0.000 2.154 227 F HA -0.027 4.501 4.527 0.001 0.000 0.301 227 F C 2.043 177.763 175.800 -0.134 0.000 1.087 227 F CA 2.204 60.144 58.000 -0.101 0.000 1.274 227 F CB -0.038 38.773 39.000 -0.314 0.000 1.009 227 F HN 0.282 nan 8.300 nan 0.000 0.485 228 Y N -0.477 119.950 120.300 0.211 0.000 2.493 228 Y HA 0.410 4.960 4.550 0.001 0.000 0.275 228 Y C 1.967 177.985 175.900 0.197 0.000 1.183 228 Y CA 0.067 58.242 58.100 0.126 0.000 1.258 228 Y CB -0.967 37.638 38.460 0.242 0.000 1.108 228 Y HN 0.126 nan 8.280 nan 0.000 0.521 229 A N 0.066 123.045 122.820 0.265 0.000 1.948 229 A HA -0.198 4.123 4.320 0.001 0.000 0.220 229 A C 1.839 179.568 177.584 0.241 0.000 1.177 229 A CA 1.613 53.797 52.037 0.245 0.000 0.636 229 A CB -0.181 18.910 19.000 0.151 0.000 0.815 229 A HN 0.287 nan 8.150 nan 0.000 0.449 230 Q N 0.257 120.136 119.800 0.131 0.000 2.189 230 Q HA 0.282 4.622 4.340 0.001 0.000 0.221 230 Q C -0.025 176.026 176.000 0.084 0.000 0.848 230 Q CA -0.071 55.796 55.803 0.106 0.000 1.007 230 Q CB 0.219 28.969 28.738 0.021 0.000 1.116 230 Q HN 0.515 nan 8.270 nan 0.000 0.481 231 S N 1.824 117.574 115.700 0.083 0.000 2.596 231 S HA 0.204 4.675 4.470 0.001 0.000 0.260 231 S C 0.480 174.979 174.600 -0.168 0.000 1.336 231 S CA -0.325 57.805 58.200 -0.117 0.000 0.993 231 S CB 0.437 63.503 63.200 -0.223 0.000 0.923 231 S HN 0.272 nan 8.310 nan 0.000 0.567 232 N N 1.651 120.199 118.700 -0.253 0.000 2.462 232 N HA 0.217 4.957 4.740 0.001 0.000 0.242 232 N C -1.652 173.639 175.510 -0.366 0.000 1.010 232 N CA 0.021 52.981 53.050 -0.151 0.000 0.939 232 N CB 0.595 38.996 38.487 -0.142 0.000 1.127 232 N HN 0.462 nan 8.380 nan 0.000 0.509 233 Y N 0.677 120.961 120.300 -0.026 0.000 2.385 233 Y HA 0.316 4.866 4.550 0.001 0.000 0.341 233 Y C 0.272 176.071 175.900 -0.168 0.000 0.965 233 Y CA -0.782 57.292 58.100 -0.045 0.000 1.180 233 Y CB 1.154 39.666 38.460 0.087 0.000 1.139 233 Y HN 0.122 nan 8.280 nan 0.000 0.502 234 V N 3.635 123.475 119.914 -0.122 0.000 2.349 234 V HA 0.726 4.847 4.120 0.001 0.000 0.284 234 V C -0.186 175.714 176.094 -0.323 0.000 1.014 234 V CA -0.916 61.216 62.300 -0.281 0.000 0.826 234 V CB 1.091 32.683 31.823 -0.384 0.000 1.009 234 V HN 0.828 nan 8.190 nan 0.000 0.431 235 A N 5.061 127.699 122.820 -0.304 0.000 2.317 235 A HA 0.919 5.240 4.320 0.001 0.000 0.327 235 A C -1.034 176.311 177.584 -0.399 0.000 1.178 235 A CA -0.353 51.556 52.037 -0.213 0.000 0.817 235 A CB 0.704 19.689 19.000 -0.025 0.000 1.189 235 A HN 0.620 nan 8.150 nan 0.000 0.489 236 F N 1.512 121.447 119.950 -0.026 0.000 2.436 236 F HA 0.525 5.052 4.527 0.001 0.000 0.340 236 F C 1.137 176.797 175.800 -0.233 0.000 1.113 236 F CA 0.498 58.444 58.000 -0.090 0.000 1.022 236 F CB 1.975 40.926 39.000 -0.082 0.000 1.128 236 F HN 1.003 nan 8.300 nan 0.000 0.466 237 A N 2.029 124.810 122.820 -0.065 0.000 2.799 237 A HA -0.238 4.083 4.320 0.001 0.000 0.287 237 A C 0.689 178.347 177.584 0.122 0.000 1.484 237 A CA 0.786 52.788 52.037 -0.058 0.000 0.813 237 A CB -2.020 16.607 19.000 -0.622 0.000 1.009 237 A HN 0.684 nan 8.150 nan 0.000 0.545 238 S N 0.054 115.888 115.700 0.224 0.000 2.549 238 S HA 0.463 4.933 4.470 0.001 0.000 0.279 238 S C -0.212 174.432 174.600 0.073 0.000 1.321 238 S CA -0.717 57.545 58.200 0.104 0.000 1.054 238 S CB 0.743 63.981 63.200 0.064 0.000 0.899 238 S HN 0.414 nan 8.310 nan 0.000 0.497 239 P HA 0.043 nan 4.420 nan 0.000 0.225 239 P C 0.458 177.663 177.300 -0.158 0.000 1.156 239 P CA 0.624 63.653 63.100 -0.117 0.000 0.787 239 P CB -0.268 31.357 31.700 -0.126 0.000 0.802 240 T N -2.457 112.025 114.554 -0.119 0.000 2.940 240 T HA 0.630 4.980 4.350 0.001 0.000 0.288 240 T C -0.613 174.007 174.700 -0.135 0.000 1.033 240 T CA -0.671 61.350 62.100 -0.131 0.000 1.033 240 T CB 1.695 70.513 68.868 -0.083 0.000 1.079 240 T HN -0.168 nan 8.240 nan 0.000 0.496 241 Q N 0.655 120.359 119.800 -0.160 0.000 2.323 241 Q HA 0.484 4.824 4.340 0.001 0.000 0.271 241 Q C -1.863 174.123 176.000 -0.025 0.000 1.048 241 Q CA -0.716 55.011 55.803 -0.127 0.000 0.792 241 Q CB 1.968 30.544 28.738 -0.271 0.000 1.280 241 Q HN 0.775 nan 8.270 nan 0.000 0.441 242 Y N 1.683 121.922 120.300 -0.102 0.000 2.342 242 Y HA 0.355 4.906 4.550 0.001 0.000 0.338 242 Y C 0.044 175.905 175.900 -0.065 0.000 0.965 242 Y CA -0.178 57.870 58.100 -0.087 0.000 1.159 242 Y CB 0.987 39.385 38.460 -0.104 0.000 1.157 242 Y HN 0.770 nan 8.280 nan 0.000 0.486 243 E N 3.636 123.485 120.200 -0.585 0.000 2.514 243 E HA 0.290 4.640 4.350 0.001 0.000 0.215 243 E C 0.096 176.389 176.600 -0.513 0.000 0.946 243 E CA -0.141 56.008 56.400 -0.417 0.000 1.038 243 E CB 0.685 30.267 29.700 -0.197 0.000 1.069 243 E HN 0.639 nan 8.360 nan 0.000 0.503 244 A N 1.046 123.377 122.820 -0.814 0.000 2.484 244 A HA 0.412 4.733 4.320 0.001 0.000 0.268 244 A C 1.248 178.610 177.584 -0.370 0.000 1.114 244 A CA 0.923 52.665 52.037 -0.492 0.000 0.780 244 A CB -0.472 18.324 19.000 -0.340 0.000 1.061 244 A HN 0.344 nan 8.150 nan 0.000 0.505 245 G N 1.584 110.286 108.800 -0.164 0.000 2.176 245 G HA2 0.154 4.115 3.960 0.001 0.000 0.232 245 G HA3 0.154 4.115 3.960 0.001 0.000 0.232 245 G C 1.556 176.426 174.900 -0.050 0.000 0.986 245 G CA 0.701 45.766 45.100 -0.059 0.000 0.643 245 G HN 2.707 nan 8.290 nan 0.000 0.522 246 G N -0.153 108.590 108.800 -0.095 0.000 2.273 246 G HA2 -0.303 3.657 3.960 0.001 0.000 0.280 246 G HA3 -0.303 3.657 3.960 0.001 0.000 0.280 246 G C 0.933 175.829 174.900 -0.006 0.000 1.047 246 G CA 1.578 46.642 45.100 -0.061 0.000 0.869 246 G HN 0.916 nan 8.290 nan 0.000 0.502 247 K N -1.368 119.070 120.400 0.063 0.000 2.243 247 K HA 0.238 4.559 4.320 0.001 0.000 0.201 247 K C 0.911 177.738 176.600 0.379 0.000 1.051 247 K CA 0.974 57.395 56.287 0.224 0.000 0.970 247 K CB 0.587 33.216 32.500 0.215 0.000 0.755 247 K HN 0.352 nan 8.250 nan 0.000 0.465 248 V N 1.992 122.058 119.914 0.254 0.000 2.555 248 V HA 0.337 4.457 4.120 0.001 0.000 0.302 248 V C -0.527 175.725 176.094 0.264 0.000 1.038 248 V CA -0.989 61.482 62.300 0.285 0.000 0.887 248 V CB 2.129 34.044 31.823 0.152 0.000 0.991 248 V HN 0.103 nan 8.190 nan 0.000 0.434 249 I N 3.874 124.609 120.570 0.276 0.000 2.354 249 I HA 0.463 4.634 4.170 0.001 0.000 0.292 249 I C -0.407 175.761 176.117 0.084 0.000 0.989 249 I CA -0.277 61.143 61.300 0.201 0.000 1.188 249 I CB 0.919 39.079 38.000 0.266 0.000 1.342 249 I HN 0.598 nan 8.210 nan 0.000 0.457 250 N N 8.868 127.645 118.700 0.129 0.000 2.501 250 N HA 0.434 5.175 4.740 0.001 0.000 0.245 250 N C -0.959 174.711 175.510 0.266 0.000 0.974 250 N CA -0.200 52.953 53.050 0.173 0.000 0.941 250 N CB 1.575 40.197 38.487 0.225 0.000 1.122 250 N HN 0.508 nan 8.380 nan 0.000 0.507 251 I N 1.133 121.720 120.570 0.029 0.000 2.377 251 I HA 0.615 4.785 4.170 0.001 0.000 0.293 251 I C 0.856 176.768 176.117 -0.343 0.000 0.987 251 I CA -0.501 60.777 61.300 -0.037 0.000 1.185 251 I CB 1.902 39.852 38.000 -0.083 0.000 1.341 251 I HN 0.391 nan 8.210 nan 0.000 0.455 252 G N 4.099 112.427 108.800 -0.786 0.000 2.495 252 G HA2 0.436 4.396 3.960 0.001 0.000 0.294 252 G HA3 0.436 4.396 3.960 0.001 0.000 0.294 252 G C -2.091 172.300 174.900 -0.849 0.000 1.397 252 G CA -0.561 43.791 45.100 -1.246 0.000 0.790 252 G HN 0.224 nan 8.290 nan 0.000 0.486 253 Y N 1.038 121.118 120.300 -0.367 0.000 2.308 253 Y HA 0.311 4.861 4.550 0.001 0.000 0.329 253 Y C 1.941 177.949 175.900 0.180 0.000 1.111 253 Y CA -0.267 57.765 58.100 -0.113 0.000 1.179 253 Y CB 1.795 40.137 38.460 -0.197 0.000 1.201 253 Y HN 0.839 nan 8.280 nan 0.000 0.483 254 E N 0.768 121.183 120.200 0.359 0.000 2.204 254 E HA -0.212 4.139 4.350 0.001 0.000 0.194 254 E C 0.619 177.351 176.600 0.219 0.000 0.989 254 E CA 1.460 58.059 56.400 0.332 0.000 0.824 254 E CB -0.137 29.708 29.700 0.241 0.000 0.756 254 E HN 0.705 nan 8.360 nan 0.000 0.477 255 N N 1.227 120.033 118.700 0.177 0.000 2.370 255 N HA -0.070 4.671 4.740 0.001 0.000 0.198 255 N C -0.418 175.297 175.510 0.341 0.000 1.156 255 N CA 0.175 53.341 53.050 0.193 0.000 0.839 255 N CB 0.064 38.654 38.487 0.171 0.000 0.989 255 N HN 0.068 nan 8.380 nan 0.000 0.468 256 D N 2.241 122.839 120.400 0.329 0.000 2.339 256 D HA 0.160 4.800 4.640 0.001 0.000 0.241 256 D C -1.481 174.971 176.300 0.253 0.000 1.183 256 D CA -2.205 51.959 54.000 0.273 0.000 0.859 256 D CB 1.708 42.759 40.800 0.418 0.000 1.067 256 D HN 0.040 nan 8.370 nan 0.000 0.484 257 P HA -0.104 nan 4.420 nan 0.000 0.226 257 P C 1.366 178.647 177.300 -0.032 0.000 1.153 257 P CA 0.286 63.343 63.100 -0.072 0.000 0.777 257 P CB 0.524 31.877 31.700 -0.577 0.000 0.794 258 V N -0.632 119.068 119.914 -0.356 0.000 2.591 258 V HA -0.088 4.033 4.120 0.001 0.000 0.249 258 V C 1.398 177.483 176.094 -0.015 0.000 1.053 258 V CA 0.537 62.611 62.300 -0.376 0.000 1.068 258 V CB -1.223 30.086 31.823 -0.857 0.000 0.689 258 V HN -0.011 nan 8.190 nan 0.000 0.462 259 F N 2.377 122.339 119.950 0.021 0.000 2.533 259 F HA 0.317 4.845 4.527 0.001 0.000 0.378 259 F C 1.254 177.140 175.800 0.142 0.000 1.070 259 F CA -0.699 57.362 58.000 0.103 0.000 1.172 259 F CB -0.687 38.436 39.000 0.205 0.000 1.085 259 F HN 0.172 nan 8.300 nan 0.000 0.552 260 R N 2.383 122.658 120.500 -0.376 0.000 3.776 260 R HA -0.238 4.102 4.340 0.001 0.000 0.312 260 R C 1.155 177.207 176.300 -0.413 0.000 1.181 260 R CA 0.570 56.437 56.100 -0.389 0.000 0.836 260 R CB -2.153 27.924 30.300 -0.372 0.000 1.324 260 R HN 0.673 nan 8.270 nan 0.000 0.501 261 A N 0.510 123.003 122.820 -0.545 0.000 1.972 261 A HA 0.020 4.341 4.320 0.001 0.000 0.219 261 A C 1.067 178.355 177.584 -0.493 0.000 1.169 261 A CA 0.912 52.403 52.037 -0.911 0.000 0.635 261 A CB 0.076 18.770 19.000 -0.510 0.000 0.810 261 A HN 0.268 nan 8.150 nan 0.000 0.446 262 L N -0.376 120.660 121.223 -0.312 0.000 2.344 262 L HA 0.361 4.701 4.340 0.001 0.000 0.272 262 L C -0.634 176.139 176.870 -0.162 0.000 1.035 262 L CA -0.813 53.901 54.840 -0.210 0.000 0.807 262 L CB 1.229 43.181 42.059 -0.179 0.000 1.237 262 L HN 0.058 nan 8.230 nan 0.000 0.442 263 D N 1.232 121.579 120.400 -0.088 0.000 2.467 263 D HA 0.429 5.070 4.640 0.001 0.000 0.220 263 D C 0.706 176.975 176.300 -0.053 0.000 1.103 263 D CA 0.856 54.853 54.000 -0.006 0.000 0.886 263 D CB 0.832 41.663 40.800 0.052 0.000 1.025 263 D HN 0.703 nan 8.370 nan 0.000 0.514 264 G N 3.698 112.409 108.800 -0.149 0.000 2.889 264 G HA2 -0.363 3.597 3.960 0.001 0.000 0.308 264 G HA3 -0.363 3.597 3.960 0.001 0.000 0.308 264 G C 0.915 175.757 174.900 -0.097 0.000 1.248 264 G CA 1.046 46.077 45.100 -0.115 0.000 0.982 264 G HN 0.897 nan 8.290 nan 0.000 0.571 265 T N -2.155 112.365 114.554 -0.057 0.000 3.091 265 T HA 0.615 4.966 4.350 0.001 0.000 0.277 265 T C 0.618 175.279 174.700 -0.064 0.000 0.996 265 T CA 1.093 63.160 62.100 -0.054 0.000 0.897 265 T CB 0.562 69.420 68.868 -0.017 0.000 1.109 265 T HN 0.822 nan 8.240 nan 0.000 0.534 266 S N 2.060 117.723 115.700 -0.063 0.000 2.537 266 S HA 0.591 5.062 4.470 0.001 0.000 0.275 266 S C -0.325 174.217 174.600 -0.097 0.000 1.272 266 S CA -0.753 57.410 58.200 -0.063 0.000 1.050 266 S CB 1.152 64.332 63.200 -0.034 0.000 0.961 266 S HN 0.474 nan 8.310 nan 0.000 0.496 267 L N 4.365 125.514 121.223 -0.123 0.000 2.331 267 L HA 0.499 4.840 4.340 0.001 0.000 0.278 267 L C 0.420 177.241 176.870 -0.083 0.000 1.106 267 L CA 0.531 55.275 54.840 -0.159 0.000 0.824 267 L CB 0.497 42.401 42.059 -0.258 0.000 1.142 267 L HN 0.845 nan 8.230 nan 0.000 0.443 268 T N 1.366 115.884 114.554 -0.060 0.000 2.864 268 T HA 0.313 4.663 4.350 0.001 0.000 0.289 268 T C 0.669 175.377 174.700 0.013 0.000 1.082 268 T CA -0.650 61.443 62.100 -0.013 0.000 1.009 268 T CB 0.821 69.690 68.868 0.000 0.000 1.234 268 T HN 0.510 nan 8.240 nan 0.000 0.526 269 L N 1.318 122.561 121.223 0.034 0.000 2.042 269 L HA 0.183 4.523 4.340 0.001 0.000 0.210 269 L C -0.920 175.998 176.870 0.080 0.000 1.076 269 L CA 1.818 56.691 54.840 0.056 0.000 0.749 269 L CB -1.607 40.484 42.059 0.053 0.000 0.893 269 L HN 0.568 nan 8.230 nan 0.000 0.432 270 P HA -0.096 nan 4.420 nan 0.000 0.221 270 P C 1.755 179.186 177.300 0.217 0.000 1.145 270 P CA 1.275 64.460 63.100 0.142 0.000 0.795 270 P CB -0.090 31.688 31.700 0.129 0.000 0.775 271 S N -0.509 115.249 115.700 0.097 0.000 2.402 271 S HA -0.111 4.359 4.470 0.001 0.000 0.233 271 S C 1.470 176.151 174.600 0.135 0.000 1.030 271 S CA 1.060 59.271 58.200 0.018 0.000 1.003 271 S CB -0.798 62.347 63.200 -0.091 0.000 0.813 271 S HN 0.232 nan 8.310 nan 0.000 0.477 272 L N 0.060 121.372 121.223 0.148 0.000 2.607 272 L HA 0.319 4.660 4.340 0.001 0.000 0.228 272 L C 1.263 178.234 176.870 0.168 0.000 1.123 272 L CA -0.130 54.802 54.840 0.153 0.000 0.890 272 L CB -0.004 42.136 42.059 0.134 0.000 1.103 272 L HN 0.318 nan 8.230 nan 0.000 0.468 273 G N -0.584 108.347 108.800 0.218 0.000 3.310 273 G HA2 0.390 4.350 3.960 0.001 0.000 0.174 273 G HA3 0.390 4.350 3.960 0.001 0.000 0.174 273 G C -0.823 174.245 174.900 0.279 0.000 1.097 273 G CA -0.253 44.981 45.100 0.223 0.000 0.795 273 G HN -0.258 nan 8.290 nan 0.000 0.670 274 V N 2.584 122.614 119.914 0.194 0.000 2.488 274 V HA 0.320 4.440 4.120 0.001 0.000 0.277 274 V C -0.386 175.701 176.094 -0.012 0.000 1.046 274 V CA -0.254 62.048 62.300 0.003 0.000 0.986 274 V CB 0.606 32.376 31.823 -0.088 0.000 0.989 274 V HN 0.729 nan 8.190 nan 0.000 0.475 275 H N 1.962 121.089 119.070 0.094 0.000 2.380 275 H HA 0.395 4.951 4.556 0.001 0.000 0.231 275 H C -0.559 174.774 175.328 0.009 0.000 1.415 275 H CA -0.554 55.520 56.048 0.045 0.000 1.433 275 H CB 0.735 30.528 29.762 0.052 0.000 1.544 275 H HN 0.597 nan 8.280 nan 0.000 0.503 276 D N 2.018 122.428 120.400 0.017 0.000 2.424 276 D HA 0.210 4.850 4.640 0.001 0.000 0.220 276 D C 0.732 177.020 176.300 -0.021 0.000 1.150 276 D CA -0.286 53.714 54.000 0.000 0.000 0.831 276 D CB 0.346 41.125 40.800 -0.036 0.000 0.981 276 D HN 0.668 nan 8.370 nan 0.000 0.500 277 A N 1.626 124.415 122.820 -0.052 0.000 2.520 277 A HA 0.363 4.683 4.320 0.001 0.000 0.245 277 A C -2.126 175.329 177.584 -0.214 0.000 1.072 277 A CA -0.772 51.191 52.037 -0.124 0.000 0.761 277 A CB -0.057 18.850 19.000 -0.155 0.000 1.004 277 A HN 0.192 nan 8.150 nan 0.000 0.499 278 P HA 0.217 nan 4.420 nan 0.000 0.275 278 P C -0.746 176.409 177.300 -0.242 0.000 1.227 278 P CA 0.145 63.169 63.100 -0.126 0.000 0.781 278 P CB 0.614 32.294 31.700 -0.033 0.000 0.906 279 H N 0.980 120.041 119.070 -0.016 0.000 2.472 279 H HA 0.132 4.688 4.556 0.001 0.000 0.338 279 H C 1.503 176.830 175.328 -0.003 0.000 1.133 279 H CA 0.011 56.044 56.048 -0.026 0.000 1.216 279 H CB 1.718 31.444 29.762 -0.060 0.000 1.497 279 H HN 0.426 nan 8.280 nan 0.000 0.500 280 T N -0.779 113.849 114.554 0.122 0.000 2.788 280 T HA -0.187 4.163 4.350 0.001 0.000 0.268 280 T C 1.812 176.556 174.700 0.073 0.000 1.044 280 T CA 1.530 63.670 62.100 0.066 0.000 1.139 280 T CB -0.201 68.685 68.868 0.030 0.000 0.867 280 T HN 0.495 nan 8.240 nan 0.000 0.454 281 S N 0.837 116.584 115.700 0.080 0.000 2.593 281 S HA 0.599 5.070 4.470 0.001 0.000 0.217 281 S C 0.730 175.409 174.600 0.132 0.000 0.966 281 S CA -0.282 57.966 58.200 0.081 0.000 0.914 281 S CB -0.301 62.925 63.200 0.042 0.000 0.776 281 S HN 0.866 nan 8.310 nan 0.000 0.523 282 A N 1.964 124.879 122.820 0.158 0.000 2.337 282 A HA 0.663 4.984 4.320 0.001 0.000 0.331 282 A C 0.272 178.001 177.584 0.241 0.000 1.137 282 A CA -0.574 51.604 52.037 0.236 0.000 0.807 282 A CB 0.791 19.920 19.000 0.215 0.000 1.250 282 A HN 0.455 nan 8.150 nan 0.000 0.468 283 T N 0.315 115.055 114.554 0.311 0.000 2.738 283 T HA 0.190 4.541 4.350 0.001 0.000 0.294 283 T C 0.216 175.100 174.700 0.306 0.000 0.914 283 T CA -0.548 61.701 62.100 0.247 0.000 1.052 283 T CB -0.095 68.912 68.868 0.232 0.000 0.897 283 T HN 0.533 nan 8.240 nan 0.000 0.522 284 N N 3.085 121.915 118.700 0.217 0.000 2.353 284 N HA 0.017 4.758 4.740 0.001 0.000 0.185 284 N C 0.087 175.722 175.510 0.210 0.000 1.098 284 N CA 0.040 53.224 53.050 0.224 0.000 0.872 284 N CB 0.288 38.857 38.487 0.137 0.000 0.970 284 N HN 0.610 nan 8.380 nan 0.000 0.467 285 N N 0.646 119.441 118.700 0.158 0.000 2.536 285 N HA 0.239 4.980 4.740 0.001 0.000 0.286 285 N C -0.639 174.896 175.510 0.041 0.000 1.577 285 N CA -0.054 53.055 53.050 0.099 0.000 0.883 285 N CB 1.368 39.870 38.487 0.026 0.000 1.390 285 N HN 0.109 nan 8.380 nan 0.000 0.491 286 I N 1.159 121.794 120.570 0.109 0.000 2.315 286 I HA 0.280 4.451 4.170 0.001 0.000 0.291 286 I C 0.087 176.315 176.117 0.186 0.000 1.006 286 I CA -0.796 60.572 61.300 0.114 0.000 1.265 286 I CB 1.446 39.497 38.000 0.085 0.000 1.387 286 I HN -0.322 nan 8.210 nan 0.000 0.475 287 V N 5.725 125.697 119.914 0.097 0.000 2.427 287 V HA 0.197 4.318 4.120 0.001 0.000 0.286 287 V C 0.314 176.270 176.094 -0.230 0.000 1.034 287 V CA -0.691 61.560 62.300 -0.082 0.000 0.893 287 V CB 1.633 33.341 31.823 -0.191 0.000 0.982 287 V HN 0.662 nan 8.190 nan 0.000 0.452 288 N N 4.008 122.343 118.700 -0.609 0.000 2.555 288 N HA 0.112 4.852 4.740 0.001 0.000 0.244 288 N C -0.726 174.383 175.510 -0.669 0.000 1.114 288 N CA -0.317 52.126 53.050 -1.013 0.000 0.963 288 N CB 0.066 37.606 38.487 -1.577 0.000 1.276 288 N HN 0.571 nan 8.380 nan 0.000 0.510 289 F N 4.283 123.932 119.950 -0.501 0.000 2.619 289 F HA 0.179 4.707 4.527 0.001 0.000 0.350 289 F C 0.259 175.971 175.800 -0.146 0.000 1.259 289 F CA -0.653 57.179 58.000 -0.280 0.000 1.204 289 F CB -0.313 38.628 39.000 -0.099 0.000 1.556 289 F HN 0.460 nan 8.300 nan 0.000 0.650 290 N N 0.884 119.409 118.700 -0.292 0.000 2.741 290 N HA 0.239 4.980 4.740 0.001 0.000 0.310 290 N C 0.404 175.897 175.510 -0.029 0.000 1.295 290 N CA -0.723 52.239 53.050 -0.146 0.000 0.893 290 N CB 0.297 38.475 38.487 -0.514 0.000 1.247 290 N HN 0.075 nan 8.380 nan 0.000 0.596 291 D N -1.655 118.857 120.400 0.187 0.000 2.178 291 D HA -0.184 4.456 4.640 0.001 0.000 0.201 291 D C 1.309 177.728 176.300 0.199 0.000 0.980 291 D CA 1.210 55.352 54.000 0.237 0.000 0.842 291 D CB -0.338 40.702 40.800 0.398 0.000 0.948 291 D HN 0.618 nan 8.370 nan 0.000 0.472 292 H N -0.687 118.349 119.070 -0.056 0.000 2.299 292 H HA -0.166 4.390 4.556 0.001 0.000 0.302 292 H C 1.963 177.289 175.328 -0.004 0.000 1.078 292 H CA 1.261 57.249 56.048 -0.101 0.000 1.323 292 H CB -0.397 29.132 29.762 -0.388 0.000 1.381 292 H HN 0.203 nan 8.280 nan 0.000 0.498 293 Y N 1.122 121.344 120.300 -0.130 0.000 2.224 293 Y HA -0.159 4.391 4.550 0.001 0.000 0.289 293 Y C 2.655 178.345 175.900 -0.350 0.000 1.146 293 Y CA 1.818 59.781 58.100 -0.229 0.000 1.182 293 Y CB -0.478 37.763 38.460 -0.365 0.000 0.983 293 Y HN 0.300 nan 8.280 nan 0.000 0.524 294 A N -1.004 121.624 122.820 -0.321 0.000 2.066 294 A HA -0.022 4.299 4.320 0.001 0.000 0.218 294 A C 1.472 179.009 177.584 -0.078 0.000 1.157 294 A CA 0.893 52.760 52.037 -0.283 0.000 0.670 294 A CB -0.733 18.189 19.000 -0.130 0.000 0.804 294 A HN 0.307 nan 8.150 nan 0.000 0.453 295 S N 0.141 115.826 115.700 -0.024 0.000 2.439 295 S HA 0.243 4.714 4.470 0.001 0.000 0.282 295 S C 0.314 174.917 174.600 0.004 0.000 1.170 295 S CA -0.606 57.635 58.200 0.068 0.000 1.054 295 S CB 0.329 63.696 63.200 0.279 0.000 0.956 295 S HN 0.342 nan 8.310 nan 0.000 0.490 296 D N 4.594 124.993 120.400 -0.002 0.000 2.144 296 D HA -0.043 4.597 4.640 0.001 0.000 0.199 296 D C 2.120 178.414 176.300 -0.011 0.000 0.984 296 D CA 1.558 55.548 54.000 -0.017 0.000 0.834 296 D CB -0.364 40.430 40.800 -0.009 0.000 0.955 296 D HN 0.676 nan 8.370 nan 0.000 0.465 297 A N 0.057 122.860 122.820 -0.028 0.000 1.877 297 A HA -0.173 4.148 4.320 0.001 0.000 0.216 297 A C 2.229 179.766 177.584 -0.079 0.000 1.186 297 A CA 1.269 53.252 52.037 -0.091 0.000 0.620 297 A CB -1.327 17.567 19.000 -0.177 0.000 0.822 297 A HN 0.333 nan 8.150 nan 0.000 0.443 298 W N 0.369 121.640 121.300 -0.049 0.000 2.342 298 W HA -0.116 4.544 4.660 0.001 0.000 0.297 298 W C 1.618 178.092 176.519 -0.074 0.000 1.213 298 W CA 1.077 58.385 57.345 -0.062 0.000 1.251 298 W CB -0.066 29.266 29.460 -0.213 0.000 1.136 298 W HN 0.325 nan 8.180 nan 0.000 0.526 299 N N 0.425 119.195 118.700 0.116 0.000 2.370 299 N HA 0.052 4.793 4.740 0.001 0.000 0.198 299 N C 1.245 176.806 175.510 0.085 0.000 1.156 299 N CA 0.452 53.552 53.050 0.085 0.000 0.839 299 N CB -0.090 38.388 38.487 -0.016 0.000 0.989 299 N HN 0.270 nan 8.380 nan 0.000 0.468 300 L N 0.180 121.449 121.223 0.077 0.000 2.291 300 L HA 0.050 4.391 4.340 0.001 0.000 0.214 300 L C 0.771 177.698 176.870 0.095 0.000 1.120 300 L CA 0.618 55.494 54.840 0.060 0.000 0.799 300 L CB -0.068 42.006 42.059 0.026 0.000 0.925 300 L HN 0.071 nan 8.230 nan 0.000 0.446 301 L N 1.148 122.462 121.223 0.152 0.000 2.371 301 L HA 0.258 4.598 4.340 0.001 0.000 0.272 301 L C -1.903 175.079 176.870 0.186 0.000 1.124 301 L CA -1.964 52.982 54.840 0.176 0.000 0.816 301 L CB 0.257 42.465 42.059 0.248 0.000 1.129 301 L HN -0.151 nan 8.230 nan 0.000 0.448 302 P HA -0.018 nan 4.420 nan 0.000 0.271 302 P C -0.636 176.793 177.300 0.216 0.000 1.216 302 P CA -0.202 63.002 63.100 0.173 0.000 0.771 302 P CB 0.436 32.216 31.700 0.133 0.000 0.864 303 F N 2.992 123.003 119.950 0.101 0.000 2.571 303 F HA 0.264 4.792 4.527 0.001 0.000 0.384 303 F C 0.502 176.346 175.800 0.074 0.000 1.058 303 F CA 1.335 59.391 58.000 0.094 0.000 1.200 303 F CB 0.318 39.353 39.000 0.057 0.000 1.077 303 F HN 0.356 nan 8.300 nan 0.000 0.558 304 S N 5.833 121.298 115.700 -0.392 0.000 2.558 304 S HA 0.226 4.696 4.470 0.001 0.000 0.277 304 S C 0.295 174.756 174.600 -0.231 0.000 1.143 304 S CA -0.853 57.233 58.200 -0.190 0.000 0.865 304 S CB 0.853 64.066 63.200 0.022 0.000 1.102 304 S HN 0.827 nan 8.310 nan 0.000 0.454 305 I N 3.602 124.126 120.570 -0.076 0.000 2.700 305 I HA -0.022 4.148 4.170 0.001 0.000 0.261 305 I C 1.147 177.443 176.117 0.298 0.000 1.219 305 I CA 1.190 62.532 61.300 0.070 0.000 1.463 305 I CB -0.037 38.012 38.000 0.082 0.000 1.092 305 I HN 0.717 nan 8.210 nan 0.000 0.452 306 L N 0.169 121.490 121.223 0.165 0.000 2.492 306 L HA 0.003 4.343 4.340 0.001 0.000 0.223 306 L C 0.787 177.726 176.870 0.116 0.000 1.132 306 L CA 0.068 54.994 54.840 0.143 0.000 0.850 306 L CB -0.629 41.495 42.059 0.108 0.000 0.966 306 L HN 0.240 nan 8.230 nan 0.000 0.454 307 N N 1.101 119.868 118.700 0.111 0.000 2.521 307 N HA 0.068 4.809 4.740 0.001 0.000 0.236 307 N C 0.986 176.582 175.510 0.143 0.000 1.067 307 N CA -0.147 52.966 53.050 0.106 0.000 0.939 307 N CB 0.635 39.171 38.487 0.081 0.000 1.201 307 N HN -0.070 nan 8.380 nan 0.000 0.511 308 I N 4.606 125.236 120.570 0.100 0.000 2.208 308 I HA -0.142 4.029 4.170 0.001 0.000 0.245 308 I C -0.660 175.530 176.117 0.123 0.000 1.097 308 I CA 0.724 62.048 61.300 0.041 0.000 1.363 308 I CB -2.112 35.851 38.000 -0.061 0.000 1.051 308 I HN 0.447 nan 8.210 nan 0.000 0.413 309 P HA -0.170 nan 4.420 nan 0.000 0.217 309 P C 1.724 178.894 177.300 -0.216 0.000 1.148 309 P CA 2.183 65.294 63.100 0.019 0.000 0.834 309 P CB -0.334 31.287 31.700 -0.131 0.000 0.783 310 T N -5.754 108.651 114.554 -0.249 0.000 3.007 310 T HA -0.164 4.186 4.350 0.001 0.000 0.270 310 T C 1.359 175.893 174.700 -0.276 0.000 1.107 310 T CA 0.522 62.318 62.100 -0.507 0.000 1.118 310 T CB -1.194 67.402 68.868 -0.454 0.000 0.889 310 T HN 0.076 nan 8.240 nan 0.000 0.506 311 W N 0.728 121.872 121.300 -0.261 0.000 2.611 311 W HA 0.299 4.959 4.660 0.001 0.000 0.251 311 W C 1.914 178.343 176.519 -0.150 0.000 1.265 311 W CA -0.493 56.765 57.345 -0.145 0.000 1.295 311 W CB -0.779 28.635 29.460 -0.076 0.000 1.129 311 W HN 0.252 nan 8.180 nan 0.000 0.630 312 L N 0.585 121.749 121.223 -0.098 0.000 2.051 312 L HA -0.308 4.033 4.340 0.001 0.000 0.214 312 L C 2.133 178.864 176.870 -0.230 0.000 1.076 312 L CA 2.286 56.959 54.840 -0.278 0.000 0.758 312 L CB -1.052 40.567 42.059 -0.734 0.000 0.890 312 L HN -0.214 nan 8.230 nan 0.000 0.433 313 S N -2.005 113.525 115.700 -0.283 0.000 2.547 313 S HA -0.167 4.303 4.470 0.001 0.000 0.235 313 S C 1.661 176.287 174.600 0.042 0.000 0.980 313 S CA 0.994 59.006 58.200 -0.313 0.000 0.941 313 S CB -0.631 62.418 63.200 -0.252 0.000 0.763 313 S HN 0.704 nan 8.310 nan 0.000 0.532 314 H N 0.777 119.859 119.070 0.021 0.000 2.562 314 H HA 0.340 4.896 4.556 0.001 0.000 0.267 314 H C 0.325 175.770 175.328 0.195 0.000 0.959 314 H CA -0.073 56.070 56.048 0.159 0.000 1.204 314 H CB -0.103 29.640 29.762 -0.033 0.000 1.430 314 H HN 0.229 nan 8.280 nan 0.000 0.545 315 L N 2.206 123.421 121.223 -0.013 0.000 2.490 315 L HA 0.044 4.385 4.340 0.001 0.000 0.274 315 L C -1.154 175.431 176.870 -0.474 0.000 1.201 315 L CA -1.219 53.405 54.840 -0.361 0.000 0.869 315 L CB 0.695 42.370 42.059 -0.640 0.000 1.123 315 L HN 0.201 nan 8.230 nan 0.000 0.484 316 P HA -0.226 nan 4.420 nan 0.000 0.218 316 P C 1.384 178.475 177.300 -0.348 0.000 1.148 316 P CA 1.358 64.003 63.100 -0.758 0.000 0.822 316 P CB 0.007 31.108 31.700 -0.998 0.000 0.784 317 F N -2.540 117.223 119.950 -0.310 0.000 2.269 317 F HA -0.078 4.450 4.527 0.001 0.000 0.301 317 F C 1.738 177.473 175.800 -0.108 0.000 1.082 317 F CA 0.896 58.763 58.000 -0.222 0.000 1.360 317 F CB -1.762 37.085 39.000 -0.255 0.000 1.041 317 F HN -0.229 nan 8.300 nan 0.000 0.512 318 F N -0.127 119.431 119.950 -0.653 0.000 2.186 318 F HA -0.067 4.461 4.527 0.001 0.000 0.299 318 F C 2.181 177.990 175.800 0.014 0.000 1.090 318 F CA 0.850 58.656 58.000 -0.323 0.000 1.307 318 F CB -1.324 37.383 39.000 -0.488 0.000 1.019 318 F HN -0.041 nan 8.300 nan 0.000 0.489 319 Y N -0.092 120.262 120.300 0.090 0.000 2.114 319 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 319 Y C 2.746 178.597 175.900 -0.082 0.000 1.143 319 Y CA 1.840 59.934 58.100 -0.011 0.000 1.135 319 Y CB -0.836 37.511 38.460 -0.187 0.000 0.980 319 Y HN -0.014 nan 8.280 nan 0.000 0.499 320 Q N 0.734 120.549 119.800 0.025 0.000 1.993 320 Q HA -0.243 4.098 4.340 0.001 0.000 0.202 320 Q C 1.944 177.982 176.000 0.063 0.000 0.984 320 Q CA 2.127 57.913 55.803 -0.028 0.000 0.837 320 Q CB -0.655 28.062 28.738 -0.033 0.000 0.902 320 Q HN 0.545 nan 8.270 nan 0.000 0.423 321 D N -1.324 119.155 120.400 0.131 0.000 2.097 321 D HA -0.112 4.528 4.640 0.001 0.000 0.197 321 D C 1.755 178.171 176.300 0.193 0.000 0.984 321 D CA 1.388 55.488 54.000 0.167 0.000 0.826 321 D CB -0.053 40.881 40.800 0.223 0.000 0.973 321 D HN 0.399 nan 8.370 nan 0.000 0.460 322 G N 1.115 110.059 108.800 0.239 0.000 2.404 322 G HA2 -0.159 3.802 3.960 0.001 0.000 0.215 322 G HA3 -0.159 3.802 3.960 0.001 0.000 0.215 322 G C 1.973 177.014 174.900 0.236 0.000 1.174 322 G CA 0.291 45.548 45.100 0.262 0.000 0.780 322 G HN 0.292 nan 8.290 nan 0.000 0.537 323 L N 0.156 121.500 121.223 0.202 0.000 2.217 323 L HA 0.035 4.376 4.340 0.001 0.000 0.211 323 L C 2.934 180.000 176.870 0.328 0.000 1.107 323 L CA 0.259 55.254 54.840 0.259 0.000 0.783 323 L CB -0.302 41.901 42.059 0.239 0.000 0.919 323 L HN 0.143 nan 8.230 nan 0.000 0.442 324 M N -0.405 119.344 119.600 0.249 0.000 2.229 324 M HA -0.142 4.338 4.480 0.001 0.000 0.264 324 M C 2.292 178.699 176.300 0.178 0.000 1.063 324 M CA 1.569 57.004 55.300 0.224 0.000 1.114 324 M CB -0.962 31.724 32.600 0.143 0.000 1.387 324 M HN 0.193 nan 8.290 nan 0.000 0.420 325 R N -0.582 120.021 120.500 0.172 0.000 2.115 325 R HA -0.066 4.275 4.340 0.001 0.000 0.230 325 R C 2.233 178.627 176.300 0.157 0.000 1.111 325 R CA 0.934 57.124 56.100 0.150 0.000 0.976 325 R CB -0.327 30.066 30.300 0.154 0.000 0.870 325 R HN 0.197 nan 8.270 nan 0.000 0.445 326 V N 1.291 121.321 119.914 0.193 0.000 2.295 326 V HA -0.239 3.881 4.120 0.001 0.000 0.246 326 V C 2.192 178.391 176.094 0.175 0.000 1.049 326 V CA 1.565 63.972 62.300 0.177 0.000 1.024 326 V CB -0.457 31.485 31.823 0.199 0.000 0.648 326 V HN 0.249 nan 8.190 nan 0.000 0.447 327 L N 0.787 122.122 121.223 0.186 0.000 2.042 327 L HA -0.198 4.143 4.340 0.001 0.000 0.210 327 L C 1.794 178.578 176.870 -0.144 0.000 1.076 327 L CA 2.231 57.041 54.840 -0.050 0.000 0.749 327 L CB -0.765 41.331 42.059 0.062 0.000 0.893 327 L HN 0.401 nan 8.230 nan 0.000 0.432 328 N N -1.378 117.325 118.700 0.004 0.000 2.322 328 N HA 0.021 4.761 4.740 0.001 0.000 0.194 328 N C 0.205 175.729 175.510 0.024 0.000 1.126 328 N CA 0.027 53.077 53.050 -0.001 0.000 0.845 328 N CB 0.154 38.659 38.487 0.031 0.000 0.976 328 N HN 0.225 nan 8.380 nan 0.000 0.475 329 S N 0.779 116.519 115.700 0.067 0.000 2.560 329 S HA -0.067 4.403 4.470 0.001 0.000 0.284 329 S C 1.338 175.950 174.600 0.020 0.000 1.327 329 S CA -0.254 57.993 58.200 0.078 0.000 1.055 329 S CB 0.952 64.245 63.200 0.154 0.000 0.868 329 S HN 0.332 nan 8.310 nan 0.000 0.506 330 E N 2.588 122.719 120.200 -0.116 0.000 2.265 330 E HA -0.139 4.211 4.350 0.001 0.000 0.196 330 E C 0.288 176.749 176.600 -0.232 0.000 0.996 330 E CA 1.235 57.485 56.400 -0.250 0.000 0.832 330 E CB -0.047 29.365 29.700 -0.479 0.000 0.756 330 E HN 0.820 nan 8.360 nan 0.000 0.491 331 F N -0.890 119.115 119.950 0.091 0.000 2.693 331 F HA 0.121 4.648 4.527 0.001 0.000 0.303 331 F C 1.325 177.070 175.800 -0.092 0.000 1.097 331 F CA -0.326 57.705 58.000 0.052 0.000 1.330 331 F CB -0.435 38.675 39.000 0.182 0.000 1.067 331 F HN 0.084 nan 8.300 nan 0.000 0.565 332 Y N 1.587 121.864 120.300 -0.039 0.000 2.151 332 Y HA -0.330 4.220 4.550 0.001 0.000 0.284 332 Y C 2.590 178.379 175.900 -0.184 0.000 1.166 332 Y CA 1.949 59.943 58.100 -0.177 0.000 1.163 332 Y CB -0.343 38.035 38.460 -0.137 0.000 0.974 332 Y HN 0.105 nan 8.280 nan 0.000 0.511 333 S N -0.727 114.983 115.700 0.016 0.000 2.547 333 S HA -0.088 4.383 4.470 0.001 0.000 0.235 333 S C 1.474 175.993 174.600 -0.134 0.000 0.980 333 S CA 1.050 59.240 58.200 -0.016 0.000 0.941 333 S CB -0.708 62.553 63.200 0.101 0.000 0.763 333 S HN 0.538 nan 8.310 nan 0.000 0.532 334 L N 1.801 122.864 121.223 -0.266 0.000 2.607 334 L HA 0.188 4.528 4.340 0.001 0.000 0.228 334 L C 1.197 177.586 176.870 -0.801 0.000 1.123 334 L CA 0.185 54.724 54.840 -0.502 0.000 0.890 334 L CB -0.239 41.645 42.059 -0.292 0.000 1.103 334 L HN 0.437 nan 8.230 nan 0.000 0.468 335 T N -3.277 110.807 114.554 -0.782 0.000 2.918 335 T HA 0.381 4.732 4.350 0.001 0.000 0.283 335 T C -0.346 174.056 174.700 -0.496 0.000 1.001 335 T CA -0.794 60.800 62.100 -0.844 0.000 1.041 335 T CB 2.020 70.203 68.868 -1.141 0.000 1.028 335 T HN -0.108 nan 8.240 nan 0.000 0.511 336 D N 0.040 120.243 120.400 -0.330 0.000 2.493 336 D HA 0.264 4.905 4.640 0.001 0.000 0.239 336 D C 0.951 177.146 176.300 -0.174 0.000 1.049 336 D CA -0.862 53.046 54.000 -0.153 0.000 1.008 336 D CB 2.329 43.135 40.800 0.009 0.000 1.398 336 D HN 0.695 nan 8.370 nan 0.000 0.513 337 K N 0.075 120.421 120.400 -0.090 0.000 2.089 337 K HA -0.183 4.138 4.320 0.001 0.000 0.210 337 K C 0.212 176.801 176.600 -0.019 0.000 1.048 337 K CA 1.594 57.857 56.287 -0.040 0.000 0.926 337 K CB 0.160 32.676 32.500 0.026 0.000 0.714 337 K HN 0.277 nan 8.250 nan 0.000 0.448 338 D N 0.672 121.071 120.400 -0.003 0.000 2.463 338 D HA 0.080 4.721 4.640 0.001 0.000 0.224 338 D C -0.523 175.786 176.300 0.015 0.000 1.174 338 D CA 0.053 54.068 54.000 0.025 0.000 0.829 338 D CB 0.653 41.482 40.800 0.048 0.000 0.993 338 D HN 0.044 nan 8.370 nan 0.000 0.497 339 S N 0.590 116.273 115.700 -0.029 0.000 2.558 339 S HA 0.023 4.494 4.470 0.001 0.000 0.291 339 S C 0.631 175.238 174.600 0.012 0.000 1.306 339 S CA 0.277 58.482 58.200 0.008 0.000 1.056 339 S CB 0.705 63.830 63.200 -0.125 0.000 0.836 339 S HN 0.102 nan 8.310 nan 0.000 0.504 340 T N 4.685 119.271 114.554 0.054 0.000 2.738 340 T HA 0.330 4.681 4.350 0.001 0.000 0.293 340 T C 0.096 174.833 174.700 0.061 0.000 0.913 340 T CA 0.098 62.156 62.100 -0.070 0.000 1.103 340 T CB -0.478 68.288 68.868 -0.171 0.000 0.880 340 T HN 0.373 nan 8.240 nan 0.000 0.526 341 I N 4.833 125.411 120.570 0.013 0.000 2.418 341 I HA 0.380 4.551 4.170 0.001 0.000 0.287 341 I C -0.565 175.594 176.117 0.071 0.000 1.008 341 I CA -1.043 60.306 61.300 0.082 0.000 1.104 341 I CB 1.765 39.773 38.000 0.013 0.000 1.264 341 I HN 0.333 nan 8.210 nan 0.000 0.438 342 I N 7.158 127.787 120.570 0.097 0.000 2.312 342 I HA 0.315 4.485 4.170 0.001 0.000 0.290 342 I C 0.018 176.190 176.117 0.093 0.000 1.008 342 I CA -0.743 60.605 61.300 0.079 0.000 1.226 342 I CB 1.405 39.446 38.000 0.069 0.000 1.371 342 I HN 0.143 nan 8.210 nan 0.000 0.468 343 V N 5.108 125.076 119.914 0.091 0.000 2.347 343 V HA 0.226 4.346 4.120 0.001 0.000 0.280 343 V C 0.731 176.886 176.094 0.102 0.000 1.021 343 V CA -0.615 61.753 62.300 0.114 0.000 0.847 343 V CB 1.571 33.494 31.823 0.167 0.000 0.990 343 V HN 0.846 nan 8.190 nan 0.000 0.444 344 S N 4.737 120.506 115.700 0.116 0.000 2.481 344 S HA 0.189 4.660 4.470 0.001 0.000 0.282 344 S C 0.515 175.234 174.600 0.199 0.000 1.243 344 S CA -0.210 58.077 58.200 0.145 0.000 1.078 344 S CB -0.227 63.032 63.200 0.098 0.000 0.916 344 S HN 0.766 nan 8.310 nan 0.000 0.495 345 N N 4.816 123.654 118.700 0.229 0.000 2.588 345 N HA 0.252 4.993 4.740 0.001 0.000 0.298 345 N C -0.868 174.898 175.510 0.425 0.000 1.718 345 N CA -0.182 53.047 53.050 0.298 0.000 0.888 345 N CB 0.442 38.935 38.487 0.010 0.000 1.389 345 N HN 0.521 nan 8.380 nan 0.000 0.491 346 L N 0.764 122.215 121.223 0.380 0.000 2.439 346 L HA 0.307 4.648 4.340 0.001 0.000 0.261 346 L C 1.371 178.386 176.870 0.243 0.000 1.153 346 L CA -0.347 54.691 54.840 0.331 0.000 0.808 346 L CB 0.655 42.866 42.059 0.254 0.000 1.126 346 L HN 0.147 nan 8.230 nan 0.000 0.460 347 S N 0.165 115.836 115.700 -0.048 0.000 2.624 347 S HA 0.123 4.594 4.470 0.001 0.000 0.263 347 S C 0.779 175.373 174.600 -0.010 0.000 1.287 347 S CA -0.697 57.346 58.200 -0.261 0.000 0.990 347 S CB 0.625 63.498 63.200 -0.546 0.000 0.950 347 S HN 0.595 nan 8.310 nan 0.000 0.561 348 N N 0.420 119.131 118.700 0.017 0.000 2.381 348 N HA -0.052 4.688 4.740 0.001 0.000 0.182 348 N C 1.561 177.075 175.510 0.006 0.000 1.025 348 N CA 0.733 53.802 53.050 0.032 0.000 0.888 348 N CB -0.854 37.655 38.487 0.037 0.000 0.965 348 N HN 0.459 nan 8.380 nan 0.000 0.438 349 V N 0.572 120.478 119.914 -0.013 0.000 2.515 349 V HA -0.136 3.984 4.120 0.001 0.000 0.250 349 V C 2.225 178.329 176.094 0.017 0.000 1.058 349 V CA 2.140 64.441 62.300 0.001 0.000 1.064 349 V CB -0.770 31.055 31.823 0.002 0.000 0.675 349 V HN 0.525 nan 8.190 nan 0.000 0.461 350 T N -3.013 111.556 114.554 0.026 0.000 2.971 350 T HA 0.065 4.415 4.350 0.001 0.000 0.252 350 T C 1.812 176.531 174.700 0.032 0.000 1.022 350 T CA 0.145 62.275 62.100 0.050 0.000 0.980 350 T CB -0.060 68.867 68.868 0.099 0.000 1.044 350 T HN 0.271 nan 8.240 nan 0.000 0.501 351 R N 1.341 121.857 120.500 0.026 0.000 2.105 351 R HA -0.001 4.340 4.340 0.001 0.000 0.239 351 R C 2.381 178.630 176.300 -0.085 0.000 1.135 351 R CA 1.687 57.786 56.100 -0.001 0.000 0.967 351 R CB -0.731 29.581 30.300 0.021 0.000 0.861 351 R HN 0.511 nan 8.270 nan 0.000 0.442 352 G N -0.590 108.165 108.800 -0.076 0.000 2.920 352 G HA2 -0.139 3.821 3.960 0.001 0.000 0.208 352 G HA3 -0.139 3.821 3.960 0.001 0.000 0.208 352 G C 0.355 175.168 174.900 -0.145 0.000 1.159 352 G CA 0.417 45.446 45.100 -0.118 0.000 0.784 352 G HN 0.618 nan 8.290 nan 0.000 0.535 353 N N -1.749 116.880 118.700 -0.118 0.000 2.116 353 N HA 0.137 4.877 4.740 0.001 0.000 0.230 353 N C -0.286 175.183 175.510 -0.069 0.000 1.326 353 N CA -0.183 52.815 53.050 -0.088 0.000 0.867 353 N CB 0.738 39.217 38.487 -0.012 0.000 1.174 353 N HN -0.104 nan 8.380 nan 0.000 0.506 354 T N 0.469 114.953 114.554 -0.116 0.000 2.879 354 T HA 0.291 4.641 4.350 0.001 0.000 0.290 354 T C -1.276 173.367 174.700 -0.095 0.000 0.993 354 T CA -0.405 61.708 62.100 0.022 0.000 0.975 354 T CB 0.791 69.761 68.868 0.169 0.000 0.981 354 T HN 0.137 nan 8.240 nan 0.000 0.439 355 W N 2.529 123.873 121.300 0.074 0.000 2.311 355 W HA 0.449 5.110 4.660 0.001 0.000 0.310 355 W C -0.018 176.416 176.519 -0.141 0.000 1.274 355 W CA -0.671 56.661 57.345 -0.021 0.000 1.215 355 W CB 0.466 29.915 29.460 -0.019 0.000 1.227 355 W HN 0.307 nan 8.180 nan 0.000 0.523 356 V N 5.048 124.853 119.914 -0.181 0.000 2.427 356 V HA 0.193 4.313 4.120 0.001 0.000 0.268 356 V C 0.172 176.004 176.094 -0.436 0.000 1.046 356 V CA -0.290 61.523 62.300 -0.811 0.000 0.970 356 V CB -0.263 31.226 31.823 -0.556 0.000 1.001 356 V HN 0.642 nan 8.190 nan 0.000 0.476 357 E N 2.544 122.458 120.200 -0.477 0.000 2.437 357 E HA 0.374 4.725 4.350 0.001 0.000 0.280 357 E C -1.466 175.243 176.600 0.181 0.000 1.044 357 E CA -1.016 55.372 56.400 -0.020 0.000 0.826 357 E CB 1.581 31.339 29.700 0.097 0.000 1.358 357 E HN 0.345 nan 8.360 nan 0.000 0.459 358 D N 1.513 122.033 120.400 0.200 0.000 2.435 358 D HA 0.162 4.802 4.640 0.001 0.000 0.230 358 D C 0.543 177.029 176.300 0.310 0.000 1.215 358 D CA -0.147 54.035 54.000 0.304 0.000 0.947 358 D CB 0.307 41.262 40.800 0.259 0.000 1.048 358 D HN 0.529 nan 8.370 nan 0.000 0.512 359 L N 2.924 124.394 121.223 0.413 0.000 2.291 359 L HA -0.003 4.337 4.340 0.001 0.000 0.214 359 L C 1.214 178.171 176.870 0.145 0.000 1.120 359 L CA 0.216 55.197 54.840 0.234 0.000 0.799 359 L CB -0.604 41.532 42.059 0.129 0.000 0.925 359 L HN 0.561 nan 8.230 nan 0.000 0.446 360 N N 0.245 119.090 118.700 0.241 0.000 2.725 360 N HA -0.222 4.518 4.740 0.001 0.000 0.249 360 N C 0.331 175.828 175.510 -0.023 0.000 1.103 360 N CA 0.141 53.207 53.050 0.027 0.000 0.707 360 N CB -0.416 38.002 38.487 -0.114 0.000 1.043 360 N HN 0.245 nan 8.380 nan 0.000 0.553 361 R N 0.771 121.281 120.500 0.017 0.000 2.491 361 R HA 0.074 4.415 4.340 0.001 0.000 0.283 361 R C 0.167 176.411 176.300 -0.094 0.000 1.072 361 R CA 0.448 56.470 56.100 -0.131 0.000 1.048 361 R CB 0.113 30.153 30.300 -0.433 0.000 0.983 361 R HN 0.419 nan 8.270 nan 0.000 0.450 362 N N 0.445 119.049 118.700 -0.159 0.000 2.725 362 N HA -0.281 4.459 4.740 0.001 0.000 0.251 362 N C -1.412 173.914 175.510 -0.306 0.000 1.031 362 N CA 0.665 53.543 53.050 -0.288 0.000 0.720 362 N CB -0.437 37.731 38.487 -0.531 0.000 0.930 362 N HN 0.672 nan 8.380 nan 0.000 0.543 363 A N -0.286 122.424 122.820 -0.183 0.000 2.612 363 A HA 0.511 4.832 4.320 0.001 0.000 0.293 363 A C -0.661 176.841 177.584 -0.137 0.000 1.075 363 A CA -0.842 51.108 52.037 -0.144 0.000 0.680 363 A CB 1.188 20.141 19.000 -0.079 0.000 1.279 363 A HN 0.199 nan 8.150 nan 0.000 0.411 364 E N 0.711 120.857 120.200 -0.090 0.000 2.408 364 E HA 0.284 4.635 4.350 0.001 0.000 0.259 364 E C -0.286 176.240 176.600 -0.124 0.000 1.110 364 E CA 0.059 56.416 56.400 -0.072 0.000 0.929 364 E CB 0.366 30.051 29.700 -0.024 0.000 0.971 364 E HN 0.560 nan 8.360 nan 0.000 0.438 365 T N 2.341 116.843 114.554 -0.087 0.000 2.871 365 T HA -0.010 4.341 4.350 0.001 0.000 0.296 365 T C -0.041 174.653 174.700 -0.011 0.000 0.998 365 T CA 0.273 62.318 62.100 -0.091 0.000 1.162 365 T CB -0.106 68.745 68.868 -0.028 0.000 0.947 365 T HN 0.297 nan 8.240 nan 0.000 0.536 366 H N 1.152 120.251 119.070 0.049 0.000 2.690 366 H HA 0.441 4.998 4.556 0.001 0.000 0.365 366 H C 0.830 176.190 175.328 0.053 0.000 1.142 366 H CA -0.512 55.571 56.048 0.058 0.000 1.417 366 H CB 0.668 30.474 29.762 0.074 0.000 1.446 366 H HN 0.704 nan 8.280 nan 0.000 0.599 367 S N 0.802 116.620 115.700 0.196 0.000 2.651 367 S HA 0.723 5.193 4.470 0.001 0.000 0.279 367 S C 0.042 174.705 174.600 0.105 0.000 1.148 367 S CA -0.408 57.866 58.200 0.123 0.000 0.837 367 S CB 2.012 65.268 63.200 0.093 0.000 1.138 367 S HN 1.216 nan 8.310 nan 0.000 0.478 368 G N 0.938 109.792 108.800 0.089 0.000 2.782 368 G HA2 0.026 3.986 3.960 0.001 0.000 0.228 368 G HA3 0.026 3.986 3.960 0.001 0.000 0.228 368 G C -2.961 171.982 174.900 0.072 0.000 1.372 368 G CA -0.438 44.717 45.100 0.090 0.000 0.862 368 G HN 0.873 nan 8.290 nan 0.000 0.547 369 P HA 0.427 nan 4.420 nan 0.000 0.272 369 P C -0.203 177.058 177.300 -0.066 0.000 1.230 369 P CA 0.158 63.250 63.100 -0.015 0.000 0.788 369 P CB 0.739 32.442 31.700 0.005 0.000 0.949 370 T N 1.754 116.220 114.554 -0.146 0.000 2.807 370 T HA 0.515 4.866 4.350 0.001 0.000 0.279 370 T C -0.419 174.152 174.700 -0.215 0.000 0.993 370 T CA -0.086 61.965 62.100 -0.082 0.000 0.970 370 T CB 0.300 69.159 68.868 -0.014 0.000 0.950 370 T HN 0.123 nan 8.240 nan 0.000 0.441 371 F N 2.573 122.540 119.950 0.029 0.000 2.427 371 F HA 0.583 5.111 4.527 0.001 0.000 0.346 371 F C 0.285 176.121 175.800 0.060 0.000 1.120 371 F CA -1.067 56.955 58.000 0.038 0.000 1.033 371 F CB 0.988 39.978 39.000 -0.016 0.000 1.126 371 F HN 0.282 nan 8.300 nan 0.000 0.462 372 I N 5.240 125.951 120.570 0.235 0.000 2.389 372 I HA 0.346 4.516 4.170 0.001 0.000 0.288 372 I C -0.855 175.407 176.117 0.242 0.000 0.999 372 I CA -0.675 60.739 61.300 0.189 0.000 1.129 372 I CB 1.496 39.572 38.000 0.127 0.000 1.288 372 I HN 0.354 nan 8.210 nan 0.000 0.444 373 I N 5.504 126.196 120.570 0.203 0.000 2.330 373 I HA 0.361 4.532 4.170 0.001 0.000 0.289 373 I C 0.932 177.147 176.117 0.164 0.000 1.001 373 I CA -0.054 61.374 61.300 0.213 0.000 1.193 373 I CB 0.909 39.027 38.000 0.197 0.000 1.345 373 I HN 0.612 nan 8.210 nan 0.000 0.461 374 G N 4.837 113.738 108.800 0.168 0.000 2.516 374 G HA2 0.448 4.409 3.960 0.001 0.000 0.276 374 G HA3 0.448 4.409 3.960 0.001 0.000 0.276 374 G C 0.079 175.048 174.900 0.115 0.000 1.390 374 G CA -0.173 44.996 45.100 0.114 0.000 1.050 374 G HN 0.666 nan 8.290 nan 0.000 0.519 375 S N -2.041 113.713 115.700 0.091 0.000 2.759 375 S HA 0.383 4.853 4.470 0.001 0.000 0.310 375 S C 0.041 174.686 174.600 0.074 0.000 1.123 375 S CA -0.592 57.667 58.200 0.098 0.000 0.959 375 S CB 2.073 65.339 63.200 0.109 0.000 1.172 375 S HN 0.341 nan 8.310 nan 0.000 0.539 376 D N 0.687 121.127 120.400 0.068 0.000 2.349 376 D HA 0.222 4.863 4.640 0.001 0.000 0.224 376 D C 0.987 177.310 176.300 0.037 0.000 1.029 376 D CA 0.391 54.422 54.000 0.051 0.000 0.879 376 D CB -0.380 40.447 40.800 0.045 0.000 0.906 376 D HN 0.632 nan 8.370 nan 0.000 0.528 377 G N 0.047 108.868 108.800 0.035 0.000 2.532 377 G HA2 0.162 4.123 3.960 0.001 0.000 0.291 377 G HA3 0.162 4.123 3.960 0.001 0.000 0.291 377 G C 0.072 174.971 174.900 -0.000 0.000 1.349 377 G CA -0.566 44.545 45.100 0.020 0.000 1.038 377 G HN -0.058 nan 8.290 nan 0.000 0.518 378 N N 1.485 120.174 118.700 -0.019 0.000 2.401 378 N HA 0.234 4.975 4.740 0.001 0.000 0.255 378 N C -0.800 174.648 175.510 -0.103 0.000 1.110 378 N CA 0.036 53.054 53.050 -0.054 0.000 0.949 378 N CB 0.965 39.422 38.487 -0.049 0.000 1.110 378 N HN 0.312 nan 8.380 nan 0.000 0.490 379 D N 1.444 121.753 120.400 -0.152 0.000 2.228 379 D HA 0.383 5.024 4.640 0.001 0.000 0.247 379 D C 0.078 176.159 176.300 -0.366 0.000 0.995 379 D CA -0.390 53.482 54.000 -0.213 0.000 0.903 379 D CB 1.998 42.696 40.800 -0.170 0.000 1.205 379 D HN 0.201 nan 8.370 nan 0.000 0.459 380 L N 1.935 122.882 121.223 -0.461 0.000 2.298 380 L HA 0.511 4.851 4.340 0.001 0.000 0.284 380 L C -0.263 176.409 176.870 -0.329 0.000 1.013 380 L CA -0.511 53.864 54.840 -0.774 0.000 0.824 380 L CB 0.993 42.120 42.059 -1.553 0.000 1.221 380 L HN 0.142 nan 8.230 nan 0.000 0.418 381 I N 3.821 124.375 120.570 -0.027 0.000 2.466 381 I HA 0.378 4.549 4.170 0.001 0.000 0.289 381 I C -0.428 175.895 176.117 0.343 0.000 1.026 381 I CA -0.539 60.838 61.300 0.128 0.000 1.078 381 I CB 2.319 40.330 38.000 0.018 0.000 1.249 381 I HN 0.513 nan 8.210 nan 0.000 0.429 382 K N 4.954 125.506 120.400 0.253 0.000 2.502 382 K HA 0.627 4.948 4.320 0.001 0.000 0.254 382 K C -0.304 176.333 176.600 0.061 0.000 0.947 382 K CA -0.437 55.910 56.287 0.100 0.000 0.834 382 K CB 1.748 34.214 32.500 -0.056 0.000 1.112 382 K HN 0.758 nan 8.250 nan 0.000 0.427 383 G N 1.872 110.706 108.800 0.057 0.000 2.507 383 G HA2 0.468 4.429 3.960 0.001 0.000 0.271 383 G HA3 0.468 4.429 3.960 0.001 0.000 0.271 383 G C 0.016 174.917 174.900 0.002 0.000 1.189 383 G CA -0.589 44.529 45.100 0.032 0.000 0.859 383 G HN 0.696 nan 8.290 nan 0.000 0.542 384 G N -0.666 108.137 108.800 0.004 0.000 2.510 384 G HA2 0.328 4.288 3.960 0.001 0.000 0.280 384 G HA3 0.328 4.288 3.960 0.001 0.000 0.280 384 G C 0.804 175.698 174.900 -0.011 0.000 1.386 384 G CA -0.593 44.509 45.100 0.003 0.000 1.047 384 G HN 0.532 nan 8.290 nan 0.000 0.527 385 K N -0.452 119.945 120.400 -0.005 0.000 2.365 385 K HA 0.050 4.370 4.320 0.001 0.000 0.199 385 K C 1.633 178.229 176.600 -0.006 0.000 1.045 385 K CA 0.525 56.806 56.287 -0.011 0.000 0.962 385 K CB 0.042 32.540 32.500 -0.004 0.000 0.759 385 K HN 0.399 nan 8.250 nan 0.000 0.469 386 G N 1.042 109.845 108.800 0.004 0.000 2.509 386 G HA2 0.058 4.019 3.960 0.001 0.000 0.269 386 G HA3 0.058 4.019 3.960 0.001 0.000 0.269 386 G C -0.376 174.512 174.900 -0.019 0.000 1.416 386 G CA -0.655 44.453 45.100 0.013 0.000 1.052 386 G HN 0.074 nan 8.290 nan 0.000 0.542 387 N N 0.941 119.628 118.700 -0.023 0.000 2.444 387 N HA 0.367 5.108 4.740 0.001 0.000 0.271 387 N C -1.276 174.094 175.510 -0.234 0.000 1.069 387 N CA 0.017 53.003 53.050 -0.106 0.000 0.965 387 N CB 1.552 40.003 38.487 -0.060 0.000 1.092 387 N HN 0.350 nan 8.380 nan 0.000 0.476 388 D N 0.488 120.666 120.400 -0.370 0.000 2.575 388 D HA 0.349 4.990 4.640 0.001 0.000 0.236 388 D C -0.998 174.871 176.300 -0.717 0.000 1.075 388 D CA -0.322 53.440 54.000 -0.397 0.000 0.860 388 D CB 1.262 41.951 40.800 -0.184 0.000 1.475 388 D HN 0.342 nan 8.370 nan 0.000 0.474 389 Y N 1.013 120.992 120.300 -0.535 0.000 2.376 389 Y HA 0.422 4.973 4.550 0.001 0.000 0.326 389 Y C -0.626 175.061 175.900 -0.354 0.000 0.970 389 Y CA -0.816 56.822 58.100 -0.771 0.000 1.248 389 Y CB 0.885 38.550 38.460 -1.324 0.000 1.117 389 Y HN 0.070 nan 8.280 nan 0.000 0.476 390 L N 3.527 124.755 121.223 0.007 0.000 2.313 390 L HA 0.539 4.880 4.340 0.001 0.000 0.283 390 L C -0.277 176.875 176.870 0.469 0.000 1.013 390 L CA -0.640 54.358 54.840 0.263 0.000 0.816 390 L CB 2.000 44.216 42.059 0.262 0.000 1.236 390 L HN 0.562 nan 8.230 nan 0.000 0.419 391 E N 1.637 122.158 120.200 0.535 0.000 2.182 391 E HA 0.317 4.668 4.350 0.001 0.000 0.258 391 E C 0.521 177.374 176.600 0.423 0.000 0.879 391 E CA -0.333 56.348 56.400 0.468 0.000 0.754 391 E CB 1.830 31.773 29.700 0.406 0.000 1.162 391 E HN 0.765 nan 8.360 nan 0.000 0.419 392 G N 3.885 112.985 108.800 0.501 0.000 2.464 392 G HA2 -0.068 3.892 3.960 0.001 0.000 0.217 392 G HA3 -0.068 3.892 3.960 0.001 0.000 0.217 392 G C 0.531 175.548 174.900 0.195 0.000 1.138 392 G CA 0.324 45.655 45.100 0.385 0.000 0.793 392 G HN 0.707 nan 8.290 nan 0.000 0.539 393 R N -0.520 120.083 120.500 0.171 0.000 3.819 393 R HA -0.156 4.185 4.340 0.001 0.000 0.488 393 R C -0.652 175.703 176.300 0.092 0.000 0.241 393 R CA 0.869 57.034 56.100 0.108 0.000 1.530 393 R CB -1.369 28.989 30.300 0.097 0.000 1.019 393 R HN 0.284 nan 8.270 nan 0.000 0.557 394 D N 0.391 120.832 120.400 0.069 0.000 2.354 394 D HA 0.415 5.055 4.640 0.001 0.000 0.238 394 D C 0.833 177.164 176.300 0.052 0.000 1.250 394 D CA 1.711 55.745 54.000 0.057 0.000 0.911 394 D CB 0.169 40.996 40.800 0.045 0.000 1.163 394 D HN 0.800 nan 8.370 nan 0.000 0.456 395 G N 0.464 109.292 108.800 0.046 0.000 2.730 395 G HA2 -0.136 3.825 3.960 0.001 0.000 0.686 395 G HA3 -0.136 3.825 3.960 0.001 0.000 0.686 395 G C -1.201 173.724 174.900 0.041 0.000 1.343 395 G CA -0.827 44.294 45.100 0.035 0.000 0.826 395 G HN 0.448 nan 8.290 nan 0.000 0.582 396 D N 1.786 122.208 120.400 0.036 0.000 2.352 396 D HA 0.418 5.058 4.640 0.001 0.000 0.245 396 D C 0.021 176.311 176.300 -0.018 0.000 1.224 396 D CA 0.246 54.277 54.000 0.051 0.000 0.879 396 D CB 0.810 41.664 40.800 0.089 0.000 1.057 396 D HN 0.356 nan 8.370 nan 0.000 0.491 397 D N 1.734 122.105 120.400 -0.048 0.000 2.198 397 D HA 0.452 5.093 4.640 0.001 0.000 0.247 397 D C 0.428 176.563 176.300 -0.275 0.000 1.010 397 D CA -0.438 53.424 54.000 -0.231 0.000 0.880 397 D CB 2.145 42.748 40.800 -0.329 0.000 1.209 397 D HN 0.227 nan 8.370 nan 0.000 0.451 398 I N 1.229 121.560 120.570 -0.398 0.000 2.465 398 I HA 0.354 4.525 4.170 0.001 0.000 0.291 398 I C -0.741 175.205 176.117 -0.285 0.000 1.014 398 I CA -0.768 60.405 61.300 -0.211 0.000 1.093 398 I CB 1.131 39.097 38.000 -0.057 0.000 1.267 398 I HN 0.079 nan 8.210 nan 0.000 0.431 399 F N 4.565 124.573 119.950 0.096 0.000 2.480 399 F HA 0.667 5.195 4.527 0.001 0.000 0.329 399 F C 0.299 175.925 175.800 -0.291 0.000 1.091 399 F CA -0.645 57.385 58.000 0.050 0.000 0.972 399 F CB 1.631 40.707 39.000 0.127 0.000 1.150 399 F HN 0.259 nan 8.300 nan 0.000 0.467 400 R N 0.889 121.338 120.500 -0.084 0.000 2.837 400 R HA 0.500 4.840 4.340 0.001 0.000 0.271 400 R C -1.819 174.382 176.300 -0.165 0.000 0.993 400 R CA -1.054 54.804 56.100 -0.403 0.000 0.931 400 R CB 2.562 32.536 30.300 -0.543 0.000 1.206 400 R HN 0.655 nan 8.270 nan 0.000 0.474 401 D N 0.105 120.437 120.400 -0.114 0.000 2.937 401 D HA 0.208 4.848 4.640 0.001 0.000 0.215 401 D C -0.599 175.702 176.300 0.001 0.000 1.274 401 D CA -0.293 53.722 54.000 0.024 0.000 0.869 401 D CB 2.303 43.197 40.800 0.157 0.000 1.675 401 D HN 0.603 nan 8.370 nan 0.000 0.538 402 A N 1.881 124.684 122.820 -0.029 0.000 2.218 402 A HA 0.575 4.896 4.320 0.001 0.000 0.209 402 A C 0.970 178.535 177.584 -0.032 0.000 1.168 402 A CA 1.180 53.194 52.037 -0.039 0.000 0.804 402 A CB 0.048 19.019 19.000 -0.047 0.000 0.834 402 A HN 0.772 nan 8.150 nan 0.000 0.482 403 G N -3.675 105.103 108.800 -0.037 0.000 2.343 403 G HA2 0.539 4.500 3.960 0.001 0.000 0.289 403 G HA3 0.539 4.500 3.960 0.001 0.000 0.289 403 G C 0.337 175.172 174.900 -0.109 0.000 1.295 403 G CA 0.221 45.278 45.100 -0.071 0.000 0.869 403 G HN 1.983 nan 8.290 nan 0.000 0.522 404 G N -1.446 107.248 108.800 -0.175 0.000 2.593 404 G HA2 0.171 4.131 3.960 0.001 0.000 0.237 404 G HA3 0.171 4.131 3.960 0.001 0.000 0.237 404 G C -0.595 174.059 174.900 -0.410 0.000 1.312 404 G CA 0.281 45.263 45.100 -0.197 0.000 0.896 404 G HN 1.639 nan 8.290 nan 0.000 0.574 405 Y N 1.806 122.052 120.300 -0.090 0.000 2.328 405 Y HA 0.625 5.175 4.550 0.001 0.000 0.336 405 Y C 0.612 176.370 175.900 -0.237 0.000 0.960 405 Y CA -0.831 57.197 58.100 -0.120 0.000 1.134 405 Y CB 1.916 40.330 38.460 -0.077 0.000 1.166 405 Y HN 0.593 nan 8.280 nan 0.000 0.464 406 N N 3.845 122.449 118.700 -0.161 0.000 2.284 406 N HA 0.566 5.307 4.740 0.001 0.000 0.289 406 N C -1.675 173.641 175.510 -0.325 0.000 1.179 406 N CA -0.768 52.086 53.050 -0.326 0.000 0.774 406 N CB 2.806 41.153 38.487 -0.233 0.000 1.548 406 N HN 0.473 nan 8.380 nan 0.000 0.473 407 L N 1.677 122.635 121.223 -0.442 0.000 2.341 407 L HA 0.628 4.968 4.340 0.001 0.000 0.278 407 L C -0.434 176.360 176.870 -0.125 0.000 1.005 407 L CA -0.704 54.010 54.840 -0.210 0.000 0.818 407 L CB 1.793 43.840 42.059 -0.020 0.000 1.259 407 L HN 0.358 nan 8.230 nan 0.000 0.418 408 I N 2.488 123.004 120.570 -0.089 0.000 2.436 408 I HA 0.512 4.682 4.170 0.001 0.000 0.289 408 I C -0.166 175.899 176.117 -0.087 0.000 1.010 408 I CA -0.540 60.661 61.300 -0.164 0.000 1.098 408 I CB 2.162 39.910 38.000 -0.420 0.000 1.266 408 I HN 0.638 nan 8.210 nan 0.000 0.434 409 A N 4.213 127.045 122.820 0.020 0.000 2.316 409 A HA 0.578 4.899 4.320 0.001 0.000 0.324 409 A C 0.995 178.586 177.584 0.012 0.000 1.375 409 A CA -0.392 51.640 52.037 -0.009 0.000 0.882 409 A CB 0.681 19.648 19.000 -0.054 0.000 1.152 409 A HN 0.956 nan 8.150 nan 0.000 0.512 410 G N 1.580 110.376 108.800 -0.006 0.000 2.471 410 G HA2 0.369 4.329 3.960 0.001 0.000 0.219 410 G HA3 0.369 4.329 3.960 0.001 0.000 0.219 410 G C 1.160 176.187 174.900 0.212 0.000 1.125 410 G CA 0.851 46.080 45.100 0.216 0.000 0.775 410 G HN 2.107 nan 8.290 nan 0.000 0.548 411 G N -0.094 108.770 108.800 0.107 0.000 2.645 411 G HA2 -0.274 3.687 3.960 0.001 0.000 0.246 411 G HA3 -0.274 3.687 3.960 0.001 0.000 0.246 411 G C 0.085 175.031 174.900 0.075 0.000 1.322 411 G CA 0.043 45.190 45.100 0.079 0.000 0.898 411 G HN 0.627 nan 8.290 nan 0.000 0.573 412 K N 0.663 121.101 120.400 0.064 0.000 2.234 412 K HA 0.489 4.809 4.320 0.001 0.000 0.251 412 K C 0.930 177.575 176.600 0.076 0.000 1.011 412 K CA 0.852 57.175 56.287 0.061 0.000 0.889 412 K CB 0.051 32.580 32.500 0.049 0.000 1.011 412 K HN 2.340 nan 8.250 nan 0.000 0.505 413 G N 0.244 109.091 108.800 0.077 0.000 2.655 413 G HA2 -0.222 3.739 3.960 0.001 0.000 0.680 413 G HA3 -0.222 3.739 3.960 0.001 0.000 0.680 413 G C -1.263 173.713 174.900 0.128 0.000 1.302 413 G CA -0.723 44.435 45.100 0.097 0.000 0.872 413 G HN 0.808 nan 8.290 nan 0.000 0.540 414 H N 1.993 121.093 119.070 0.050 0.000 2.820 414 H HA 0.351 4.908 4.556 0.001 0.000 0.278 414 H C -0.179 175.194 175.328 0.074 0.000 1.142 414 H CA -0.310 55.771 56.048 0.056 0.000 1.346 414 H CB -0.224 29.561 29.762 0.038 0.000 1.438 414 H HN 0.474 nan 8.280 nan 0.000 0.473 415 N N 5.850 124.449 118.700 -0.169 0.000 2.417 415 N HA 0.350 5.090 4.740 0.001 0.000 0.300 415 N C -0.286 175.185 175.510 -0.064 0.000 1.102 415 N CA -0.548 52.494 53.050 -0.013 0.000 0.886 415 N CB 2.480 41.091 38.487 0.207 0.000 1.203 415 N HN 0.522 nan 8.380 nan 0.000 0.496 416 I N 0.983 121.607 120.570 0.090 0.000 2.545 416 I HA 0.347 4.517 4.170 0.001 0.000 0.292 416 I C -0.998 175.299 176.117 0.301 0.000 1.040 416 I CA -0.858 60.515 61.300 0.122 0.000 1.068 416 I CB 1.974 40.026 38.000 0.086 0.000 1.251 416 I HN 0.347 nan 8.210 nan 0.000 0.424 417 F N 5.219 125.257 119.950 0.148 0.000 2.427 417 F HA 0.393 4.921 4.527 0.001 0.000 0.346 417 F C -0.308 175.564 175.800 0.120 0.000 1.120 417 F CA -0.326 57.773 58.000 0.164 0.000 1.033 417 F CB 0.963 40.006 39.000 0.072 0.000 1.126 417 F HN 0.355 nan 8.300 nan 0.000 0.462 418 D N 3.729 123.864 120.400 -0.443 0.000 2.414 418 D HA 0.136 4.776 4.640 0.001 0.000 0.232 418 D C 0.885 176.975 176.300 -0.351 0.000 1.070 418 D CA -0.216 53.645 54.000 -0.232 0.000 0.839 418 D CB 1.543 42.268 40.800 -0.124 0.000 1.079 418 D HN 0.650 nan 8.370 nan 0.000 0.521 419 T N 0.763 115.297 114.554 -0.032 0.000 3.055 419 T HA -0.081 4.270 4.350 0.001 0.000 0.265 419 T C 0.976 175.657 174.700 -0.031 0.000 1.111 419 T CA 0.541 62.677 62.100 0.059 0.000 1.118 419 T CB -0.288 68.673 68.868 0.155 0.000 0.909 419 T HN 0.620 nan 8.240 nan 0.000 0.501 420 Q N 0.658 120.421 119.800 -0.063 0.000 2.452 420 Q HA -0.237 4.103 4.340 0.001 0.000 0.248 420 Q C 0.048 176.024 176.000 -0.040 0.000 0.874 420 Q CA 1.324 57.083 55.803 -0.073 0.000 1.208 420 Q CB -1.558 27.102 28.738 -0.129 0.000 1.569 420 Q HN 0.992 nan 8.270 nan 0.000 0.579 421 Q N -2.188 117.607 119.800 -0.009 0.000 2.737 421 Q HA 0.784 5.125 4.340 0.001 0.000 0.307 421 Q C -1.126 174.881 176.000 0.013 0.000 0.905 421 Q CA -0.500 55.301 55.803 -0.004 0.000 0.753 421 Q CB 0.918 29.652 28.738 -0.007 0.000 1.463 421 Q HN 0.154 nan 8.270 nan 0.000 0.455 422 A N 0.900 123.724 122.820 0.007 0.000 2.546 422 A HA 0.138 4.459 4.320 0.001 0.000 0.243 422 A C 0.709 178.300 177.584 0.013 0.000 1.063 422 A CA -0.223 51.821 52.037 0.012 0.000 0.757 422 A CB -0.001 19.000 19.000 0.002 0.000 0.991 422 A HN 0.739 nan 8.150 nan 0.000 0.503 423 L N 2.773 124.003 121.223 0.012 0.000 2.127 423 L HA -0.190 4.150 4.340 0.001 0.000 0.211 423 L C 2.478 179.336 176.870 -0.020 0.000 1.089 423 L CA 2.679 57.502 54.840 -0.029 0.000 0.757 423 L CB -0.547 41.444 42.059 -0.113 0.000 0.899 423 L HN 0.892 nan 8.230 nan 0.000 0.434 424 K N -1.689 118.706 120.400 -0.008 0.000 2.360 424 K HA -0.130 4.190 4.320 0.001 0.000 0.201 424 K C 1.306 177.909 176.600 0.005 0.000 1.046 424 K CA 1.616 57.902 56.287 -0.002 0.000 0.940 424 K CB -0.504 31.994 32.500 -0.002 0.000 0.748 424 K HN 0.285 nan 8.250 nan 0.000 0.465 425 N N 0.318 119.022 118.700 0.006 0.000 2.461 425 N HA 0.006 4.747 4.740 0.001 0.000 0.188 425 N C -0.606 174.914 175.510 0.017 0.000 1.134 425 N CA 0.532 53.587 53.050 0.009 0.000 0.878 425 N CB 0.649 39.140 38.487 0.006 0.000 0.972 425 N HN 0.182 nan 8.380 nan 0.000 0.456 426 T N 0.667 115.234 114.554 0.023 0.000 2.848 426 T HA 0.291 4.641 4.350 0.001 0.000 0.285 426 T C -0.356 174.379 174.700 0.059 0.000 0.995 426 T CA -0.690 61.431 62.100 0.036 0.000 0.970 426 T CB 2.143 71.030 68.868 0.032 0.000 0.976 426 T HN -0.023 nan 8.240 nan 0.000 0.441 427 E N 1.795 122.059 120.200 0.107 0.000 2.229 427 E HA 0.473 4.824 4.350 0.001 0.000 0.283 427 E C -0.783 175.934 176.600 0.194 0.000 1.030 427 E CA -0.600 55.916 56.400 0.194 0.000 0.836 427 E CB 1.159 31.034 29.700 0.291 0.000 1.068 427 E HN 0.223 nan 8.360 nan 0.000 0.401 428 V N 2.270 122.270 119.914 0.142 0.000 2.531 428 V HA 0.711 4.832 4.120 0.001 0.000 0.301 428 V C -0.228 175.840 176.094 -0.043 0.000 1.034 428 V CA -0.563 61.750 62.300 0.022 0.000 0.865 428 V CB 1.378 33.222 31.823 0.035 0.000 0.995 428 V HN 0.818 nan 8.190 nan 0.000 0.424 429 A N 3.984 126.580 122.820 -0.374 0.000 2.564 429 A HA 0.958 5.279 4.320 0.001 0.000 0.288 429 A C -2.083 175.097 177.584 -0.672 0.000 1.164 429 A CA -0.637 51.040 52.037 -0.599 0.000 0.712 429 A CB 2.133 20.550 19.000 -0.971 0.000 1.303 429 A HN 0.911 nan 8.150 nan 0.000 0.418 430 Y N 0.825 120.456 120.300 -1.116 0.000 2.401 430 Y HA 0.423 4.974 4.550 0.001 0.000 0.330 430 Y C -0.329 175.003 175.900 -0.947 0.000 1.071 430 Y CA -1.103 56.418 58.100 -0.966 0.000 1.049 430 Y CB 1.979 39.758 38.460 -1.135 0.000 1.239 430 Y HN 0.777 nan 8.280 nan 0.000 0.437 431 D N 1.894 121.560 120.400 -1.223 0.000 2.339 431 D HA 0.283 4.924 4.640 0.001 0.000 0.217 431 D C 1.464 177.311 176.300 -0.755 0.000 1.050 431 D CA 0.807 54.150 54.000 -1.095 0.000 0.856 431 D CB 0.432 40.629 40.800 -1.006 0.000 0.922 431 D HN 0.966 nan 8.370 nan 0.000 0.518 432 G N 0.314 108.409 108.800 -1.176 0.000 2.253 432 G HA2 -0.296 3.664 3.960 0.001 0.000 0.209 432 G HA3 -0.296 3.664 3.960 0.001 0.000 0.209 432 G C 0.785 175.233 174.900 -0.753 0.000 0.997 432 G CA 0.222 44.855 45.100 -0.778 0.000 0.640 432 G HN 0.489 nan 8.290 nan 0.000 0.496 433 N N -0.858 117.335 118.700 -0.844 0.000 2.354 433 N HA 0.057 4.798 4.740 0.001 0.000 0.253 433 N C -0.353 174.963 175.510 -0.323 0.000 1.096 433 N CA 1.012 53.824 53.050 -0.397 0.000 0.820 433 N CB 0.824 39.175 38.487 -0.228 0.000 1.610 433 N HN 0.224 nan 8.380 nan 0.000 0.501 434 T N 2.090 116.371 114.554 -0.455 0.000 2.794 434 T HA 0.412 4.763 4.350 0.001 0.000 0.280 434 T C -0.622 173.869 174.700 -0.348 0.000 0.987 434 T CA -0.417 61.464 62.100 -0.365 0.000 0.993 434 T CB 2.234 70.835 68.868 -0.444 0.000 0.939 434 T HN 0.104 nan 8.240 nan 0.000 0.449 435 L N 4.304 125.397 121.223 -0.217 0.000 2.305 435 L HA 0.472 4.813 4.340 0.001 0.000 0.281 435 L C -1.410 175.189 176.870 -0.452 0.000 1.085 435 L CA -0.380 54.361 54.840 -0.166 0.000 0.813 435 L CB 0.099 42.074 42.059 -0.140 0.000 1.157 435 L HN 0.598 nan 8.230 nan 0.000 0.436 436 Y N 5.724 125.771 120.300 -0.421 0.000 2.328 436 Y HA 0.608 5.159 4.550 0.001 0.000 0.337 436 Y C -0.562 175.103 175.900 -0.393 0.000 0.966 436 Y CA -0.675 57.161 58.100 -0.440 0.000 1.136 436 Y CB 1.316 39.352 38.460 -0.706 0.000 1.170 436 Y HN 0.376 nan 8.280 nan 0.000 0.470 437 L N 4.571 125.711 121.223 -0.138 0.000 2.381 437 L HA 0.634 4.975 4.340 0.001 0.000 0.274 437 L C -0.522 176.375 176.870 0.045 0.000 0.988 437 L CA -0.842 53.947 54.840 -0.085 0.000 0.824 437 L CB 2.230 44.135 42.059 -0.255 0.000 1.263 437 L HN 0.537 nan 8.230 nan 0.000 0.410 438 R N 1.885 122.479 120.500 0.157 0.000 2.437 438 R HA 0.352 4.692 4.340 0.001 0.000 0.310 438 R C -0.870 175.456 176.300 0.042 0.000 0.955 438 R CA -0.596 55.577 56.100 0.122 0.000 0.851 438 R CB 1.417 31.843 30.300 0.209 0.000 1.161 438 R HN 0.747 nan 8.270 nan 0.000 0.446 439 D N 3.336 123.722 120.400 -0.023 0.000 2.447 439 D HA 0.131 4.771 4.640 0.001 0.000 0.265 439 D C 0.734 177.020 176.300 -0.024 0.000 1.250 439 D CA -0.282 53.704 54.000 -0.024 0.000 1.046 439 D CB 0.625 41.398 40.800 -0.044 0.000 1.095 439 D HN 0.431 nan 8.370 nan 0.000 0.555 440 A N -0.767 122.041 122.820 -0.020 0.000 2.119 440 A HA -0.078 4.243 4.320 0.001 0.000 0.217 440 A C 1.644 179.214 177.584 -0.023 0.000 1.153 440 A CA 0.767 52.794 52.037 -0.017 0.000 0.692 440 A CB -0.535 18.458 19.000 -0.011 0.000 0.799 440 A HN 0.520 nan 8.150 nan 0.000 0.458 441 K N -1.388 118.991 120.400 -0.035 0.000 2.374 441 K HA 0.260 4.580 4.320 0.001 0.000 0.196 441 K C 1.007 177.585 176.600 -0.036 0.000 1.023 441 K CA 0.450 56.718 56.287 -0.032 0.000 1.103 441 K CB 0.191 32.672 32.500 -0.033 0.000 0.848 441 K HN 0.563 nan 8.250 nan 0.000 0.528 442 G N 1.207 109.974 108.800 -0.054 0.000 2.175 442 G HA2 -0.232 3.728 3.960 0.001 0.000 0.244 442 G HA3 -0.232 3.728 3.960 0.001 0.000 0.244 442 G C 0.400 175.210 174.900 -0.149 0.000 0.982 442 G CA -0.250 44.822 45.100 -0.046 0.000 0.641 442 G HN 0.459 nan 8.290 nan 0.000 0.527 443 G N -0.119 108.482 108.800 -0.331 0.000 2.398 443 G HA2 0.506 4.467 3.960 0.001 0.000 0.246 443 G HA3 0.506 4.467 3.960 0.001 0.000 0.246 443 G C -0.008 174.609 174.900 -0.471 0.000 1.289 443 G CA -0.065 44.561 45.100 -0.790 0.000 0.869 443 G HN 0.687 nan 8.290 nan 0.000 0.543 444 I N 1.107 121.378 120.570 -0.498 0.000 2.433 444 I HA 0.303 4.474 4.170 0.001 0.000 0.292 444 I C -0.053 176.013 176.117 -0.086 0.000 1.001 444 I CA -0.501 60.758 61.300 -0.068 0.000 1.119 444 I CB 2.481 40.596 38.000 0.192 0.000 1.289 444 I HN 0.294 nan 8.210 nan 0.000 0.438 445 T N 6.766 121.246 114.554 -0.123 0.000 2.807 445 T HA 0.586 4.937 4.350 0.001 0.000 0.279 445 T C -0.563 173.968 174.700 -0.283 0.000 0.993 445 T CA -0.467 61.502 62.100 -0.219 0.000 0.970 445 T CB 1.368 70.036 68.868 -0.333 0.000 0.950 445 T HN 0.101 nan 8.240 nan 0.000 0.441 446 L N 2.975 124.011 121.223 -0.311 0.000 2.296 446 L HA 0.762 5.103 4.340 0.001 0.000 0.286 446 L C -0.002 176.640 176.870 -0.379 0.000 1.023 446 L CA -0.429 54.129 54.840 -0.470 0.000 0.812 446 L CB 1.311 43.112 42.059 -0.430 0.000 1.223 446 L HN 0.815 nan 8.230 nan 0.000 0.421 447 A N 2.343 124.916 122.820 -0.413 0.000 2.335 447 A HA 0.728 5.048 4.320 0.001 0.000 0.304 447 A C -1.113 176.334 177.584 -0.228 0.000 1.118 447 A CA -0.618 51.233 52.037 -0.311 0.000 0.757 447 A CB 0.721 19.509 19.000 -0.355 0.000 1.188 447 A HN 0.569 nan 8.150 nan 0.000 0.460 448 D N 1.243 121.545 120.400 -0.163 0.000 2.193 448 D HA 0.463 5.103 4.640 0.001 0.000 0.249 448 D C -0.385 175.885 176.300 -0.050 0.000 1.034 448 D CA 0.407 54.347 54.000 -0.099 0.000 0.902 448 D CB 1.005 41.758 40.800 -0.079 0.000 1.182 448 D HN 0.546 nan 8.370 nan 0.000 0.436 449 D N 0.780 121.176 120.400 -0.007 0.000 2.800 449 D HA -0.150 4.490 4.640 0.001 0.000 0.232 449 D C -0.458 175.859 176.300 0.028 0.000 1.137 449 D CA 0.546 54.560 54.000 0.023 0.000 0.718 449 D CB -0.511 40.307 40.800 0.030 0.000 1.084 449 D HN 0.234 nan 8.370 nan 0.000 0.432 450 I N 0.766 121.344 120.570 0.014 0.000 2.304 450 I HA 0.081 4.251 4.170 0.001 0.000 0.291 450 I C 1.675 177.769 176.117 -0.039 0.000 1.018 450 I CA -0.062 61.241 61.300 0.005 0.000 1.260 450 I CB 1.461 39.467 38.000 0.010 0.000 1.390 450 I HN -0.237 nan 8.210 nan 0.000 0.475 451 S N 3.730 119.371 115.700 -0.099 0.000 2.458 451 S HA 0.062 4.532 4.470 0.001 0.000 0.223 451 S C 0.718 175.280 174.600 -0.063 0.000 1.019 451 S CA 0.662 58.802 58.200 -0.101 0.000 0.937 451 S CB 0.312 63.406 63.200 -0.176 0.000 0.788 451 S HN 0.745 nan 8.310 nan 0.000 0.511 452 T N 1.900 116.415 114.554 -0.065 0.000 2.921 452 T HA 0.504 4.854 4.350 0.001 0.000 0.297 452 T C -1.499 173.256 174.700 0.092 0.000 1.013 452 T CA -0.489 61.631 62.100 0.033 0.000 0.990 452 T CB 2.116 71.026 68.868 0.069 0.000 1.023 452 T HN 0.007 nan 8.240 nan 0.000 0.447 453 L N 3.575 124.881 121.223 0.139 0.000 2.287 453 L HA 0.642 4.983 4.340 0.001 0.000 0.287 453 L C 0.012 177.047 176.870 0.275 0.000 1.022 453 L CA -0.486 54.472 54.840 0.196 0.000 0.814 453 L CB 0.813 42.948 42.059 0.127 0.000 1.217 453 L HN 0.579 nan 8.230 nan 0.000 0.420 454 R N 3.324 123.963 120.500 0.232 0.000 2.393 454 R HA 0.749 5.090 4.340 0.001 0.000 0.310 454 R C -0.744 175.667 176.300 0.185 0.000 0.968 454 R CA -0.175 56.044 56.100 0.198 0.000 0.867 454 R CB 1.141 31.510 30.300 0.115 0.000 1.124 454 R HN 0.867 nan 8.270 nan 0.000 0.450 455 S N 2.692 118.516 115.700 0.207 0.000 2.677 455 S HA 0.455 4.926 4.470 0.001 0.000 0.304 455 S C -0.979 173.670 174.600 0.082 0.000 1.108 455 S CA -0.997 57.289 58.200 0.144 0.000 0.944 455 S CB 1.866 65.176 63.200 0.183 0.000 1.127 455 S HN 0.629 nan 8.310 nan 0.000 0.511 456 K N 0.811 121.235 120.400 0.040 0.000 2.394 456 K HA 0.421 4.741 4.320 0.001 0.000 0.260 456 K C -1.016 175.584 176.600 -0.000 0.000 0.967 456 K CA -0.348 55.940 56.287 0.003 0.000 0.855 456 K CB 0.809 33.294 32.500 -0.025 0.000 1.101 456 K HN 0.665 nan 8.250 nan 0.000 0.433 457 E N 2.017 122.212 120.200 -0.009 0.000 2.281 457 E HA 0.372 4.723 4.350 0.001 0.000 0.262 457 E C -0.819 175.758 176.600 -0.039 0.000 0.933 457 E CA -0.855 55.536 56.400 -0.014 0.000 0.809 457 E CB 2.154 31.854 29.700 -0.001 0.000 1.242 457 E HN 0.564 nan 8.360 nan 0.000 0.418 458 T N 0.607 115.137 114.554 -0.041 0.000 2.824 458 T HA 0.444 4.795 4.350 0.001 0.000 0.282 458 T C -0.261 174.387 174.700 -0.087 0.000 0.993 458 T CA -0.654 61.426 62.100 -0.033 0.000 0.967 458 T CB 1.290 70.152 68.868 -0.010 0.000 0.960 458 T HN 0.177 nan 8.240 nan 0.000 0.441 459 S N 2.195 117.835 115.700 -0.101 0.000 2.509 459 S HA 0.407 4.877 4.470 0.001 0.000 0.297 459 S C -0.136 174.326 174.600 -0.229 0.000 1.118 459 S CA -0.790 57.098 58.200 -0.520 0.000 1.074 459 S CB 0.376 62.854 63.200 -1.204 0.000 1.038 459 S HN 0.860 nan 8.310 nan 0.000 0.498 460 W N 3.280 124.625 121.300 0.074 0.000 6.170 460 W HA -0.267 4.394 4.660 0.001 0.000 0.394 460 W C 0.492 177.050 176.519 0.066 0.000 1.480 460 W CA 0.259 57.636 57.345 0.053 0.000 1.027 460 W CB -2.679 26.800 29.460 0.032 0.000 2.638 460 W HN 0.807 nan 8.180 nan 0.000 1.547 461 L N -2.990 118.327 121.223 0.157 0.000 3.417 461 L HA -0.382 3.958 4.340 0.001 0.000 0.368 461 L C 1.695 178.641 176.870 0.127 0.000 0.810 461 L CA 2.567 57.477 54.840 0.117 0.000 3.108 461 L CB -1.855 40.273 42.059 0.114 0.000 0.687 461 L HN 0.317 nan 8.230 nan 0.000 0.756 462 I N -3.997 116.692 120.570 0.199 0.000 4.082 462 I HA 0.236 4.406 4.170 0.001 0.000 0.337 462 I C 0.569 176.819 176.117 0.222 0.000 1.352 462 I CA -0.196 61.207 61.300 0.173 0.000 1.097 462 I CB 0.593 38.687 38.000 0.156 0.000 1.048 462 I HN 0.097 nan 8.210 nan 0.000 0.393 463 F N 3.535 123.578 119.950 0.155 0.000 2.334 463 F HA 0.494 5.022 4.527 0.001 0.000 0.367 463 F C -0.264 175.580 175.800 0.073 0.000 1.115 463 F CA -0.550 57.548 58.000 0.163 0.000 1.116 463 F CB 0.358 39.569 39.000 0.352 0.000 1.230 463 F HN -0.013 nan 8.300 nan 0.000 0.484 464 N N 5.771 124.201 118.700 -0.451 0.000 2.518 464 N HA 0.440 5.180 4.740 0.001 0.000 0.283 464 N C -1.340 173.834 175.510 -0.560 0.000 1.119 464 N CA -0.751 52.081 53.050 -0.362 0.000 0.983 464 N CB 1.087 39.448 38.487 -0.210 0.000 1.139 464 N HN 0.590 nan 8.380 nan 0.000 0.465 465 K N 0.173 120.408 120.400 -0.276 0.000 2.527 465 K HA 0.361 4.681 4.320 0.001 0.000 0.260 465 K C -1.394 175.164 176.600 -0.070 0.000 0.937 465 K CA -0.980 55.202 56.287 -0.174 0.000 0.826 465 K CB 1.663 34.147 32.500 -0.028 0.000 1.359 465 K HN 0.193 nan 8.250 nan 0.000 0.434 466 E N 1.729 121.905 120.200 -0.040 0.000 2.313 466 E HA 0.264 4.615 4.350 0.001 0.000 0.276 466 E C -0.540 176.053 176.600 -0.012 0.000 1.031 466 E CA -0.717 55.676 56.400 -0.011 0.000 0.857 466 E CB 1.795 31.497 29.700 0.003 0.000 1.040 466 E HN 0.392 nan 8.360 nan 0.000 0.408 467 V N 3.153 123.059 119.914 -0.013 0.000 2.483 467 V HA 0.186 4.306 4.120 0.001 0.000 0.297 467 V C -0.458 175.516 176.094 -0.200 0.000 1.027 467 V CA -0.968 61.268 62.300 -0.106 0.000 0.855 467 V CB 1.986 33.748 31.823 -0.103 0.000 0.995 467 V HN 0.480 nan 8.190 nan 0.000 0.424 468 D N 2.837 123.095 120.400 -0.237 0.000 2.177 468 D HA 0.455 5.095 4.640 0.001 0.000 0.247 468 D C -0.375 175.711 176.300 -0.356 0.000 1.063 468 D CA -0.109 53.790 54.000 -0.168 0.000 0.867 468 D CB 0.856 41.636 40.800 -0.032 0.000 1.168 468 D HN 0.554 nan 8.370 nan 0.000 0.445 469 H N 1.209 120.299 119.070 0.033 0.000 2.727 469 H HA 0.172 4.729 4.556 0.001 0.000 0.330 469 H C -0.249 175.085 175.328 0.010 0.000 0.986 469 H CA -0.516 55.541 56.048 0.015 0.000 1.251 469 H CB 1.609 31.378 29.762 0.011 0.000 1.493 469 H HN 0.350 nan 8.280 nan 0.000 0.515 470 Q N 2.889 122.740 119.800 0.085 0.000 2.313 470 Q HA 0.166 4.506 4.340 0.001 0.000 0.266 470 Q C -0.661 175.342 176.000 0.005 0.000 0.989 470 Q CA -0.447 55.385 55.803 0.048 0.000 0.890 470 Q CB 0.805 29.564 28.738 0.035 0.000 1.200 470 Q HN 0.393 nan 8.270 nan 0.000 0.396 471 V N 5.348 125.233 119.914 -0.050 0.000 2.389 471 V HA 0.224 4.345 4.120 0.001 0.000 0.264 471 V C 0.432 176.401 176.094 -0.209 0.000 1.049 471 V CA 0.010 62.198 62.300 -0.185 0.000 0.932 471 V CB 0.501 32.127 31.823 -0.329 0.000 1.011 471 V HN 0.947 nan 8.190 nan 0.000 0.475 472 T N 2.022 116.498 114.554 -0.130 0.000 2.916 472 T HA 0.677 5.028 4.350 0.001 0.000 0.292 472 T C 1.101 175.891 174.700 0.150 0.000 1.064 472 T CA -0.052 62.040 62.100 -0.014 0.000 1.011 472 T CB 2.101 70.974 68.868 0.010 0.000 1.152 472 T HN 0.525 nan 8.240 nan 0.000 0.510 473 A N 0.788 123.755 122.820 0.245 0.000 1.978 473 A HA 0.242 4.562 4.320 0.001 0.000 0.220 473 A C 2.361 180.141 177.584 0.327 0.000 1.170 473 A CA 1.837 54.088 52.037 0.356 0.000 0.636 473 A CB -1.310 17.815 19.000 0.207 0.000 0.810 473 A HN 1.340 nan 8.150 nan 0.000 0.448 474 A N -1.990 120.925 122.820 0.159 0.000 2.178 474 A HA 0.508 4.829 4.320 0.001 0.000 0.211 474 A C 1.164 178.657 177.584 -0.152 0.000 1.157 474 A CA 1.271 53.340 52.037 0.053 0.000 0.780 474 A CB -0.409 18.598 19.000 0.012 0.000 0.828 474 A HN 1.828 nan 8.150 nan 0.000 0.476 475 G N -1.740 106.857 108.800 -0.339 0.000 2.369 475 G HA2 0.300 4.260 3.960 0.001 0.000 0.293 475 G HA3 0.300 4.260 3.960 0.001 0.000 0.293 475 G C -1.192 173.396 174.900 -0.520 0.000 1.301 475 G CA -0.947 43.576 45.100 -0.962 0.000 0.913 475 G HN 0.313 nan 8.290 nan 0.000 0.540 476 L N 0.766 121.723 121.223 -0.444 0.000 2.319 476 L HA 0.498 4.839 4.340 0.001 0.000 0.280 476 L C 0.610 177.441 176.870 -0.064 0.000 1.099 476 L CA -0.391 54.370 54.840 -0.132 0.000 0.828 476 L CB 1.337 43.359 42.059 -0.062 0.000 1.150 476 L HN 0.507 nan 8.230 nan 0.000 0.442 477 K N 2.719 123.114 120.400 -0.009 0.000 2.265 477 K HA 0.477 4.798 4.320 0.001 0.000 0.267 477 K C -0.808 175.808 176.600 0.026 0.000 0.994 477 K CA -0.175 56.112 56.287 -0.000 0.000 0.860 477 K CB 1.641 34.134 32.500 -0.012 0.000 1.099 477 K HN 0.605 nan 8.250 nan 0.000 0.448 478 S N 2.115 117.828 115.700 0.021 0.000 2.811 478 S HA 0.206 4.677 4.470 0.001 0.000 0.311 478 S C 0.115 174.699 174.600 -0.027 0.000 1.152 478 S CA -0.590 57.596 58.200 -0.023 0.000 0.864 478 S CB 1.120 64.306 63.200 -0.022 0.000 1.226 478 S HN 0.699 nan 8.310 nan 0.000 0.541 479 D N 1.320 121.692 120.400 -0.048 0.000 2.265 479 D HA -0.059 4.582 4.640 0.001 0.000 0.208 479 D C 1.843 178.134 176.300 -0.015 0.000 0.977 479 D CA 1.682 55.665 54.000 -0.029 0.000 0.871 479 D CB -0.226 40.555 40.800 -0.032 0.000 0.925 479 D HN 0.456 nan 8.370 nan 0.000 0.485 480 S N -1.262 114.433 115.700 -0.009 0.000 2.528 480 S HA 0.384 4.855 4.470 0.001 0.000 0.219 480 S C 1.169 175.767 174.600 -0.004 0.000 0.985 480 S CA 0.391 58.590 58.200 -0.003 0.000 0.914 480 S CB 0.796 63.999 63.200 0.006 0.000 0.776 480 S HN 0.366 nan 8.310 nan 0.000 0.526 481 G N 0.572 109.369 108.800 -0.004 0.000 2.293 481 G HA2 0.226 4.187 3.960 0.001 0.000 0.282 481 G HA3 0.226 4.187 3.960 0.001 0.000 0.282 481 G C -1.828 173.062 174.900 -0.017 0.000 1.299 481 G CA -0.530 44.563 45.100 -0.011 0.000 1.018 481 G HN 0.627 nan 8.290 nan 0.000 0.478 482 L N 0.751 121.955 121.223 -0.032 0.000 2.282 482 L HA 0.789 5.130 4.340 0.001 0.000 0.288 482 L C 0.280 177.103 176.870 -0.079 0.000 1.033 482 L CA -0.623 54.182 54.840 -0.058 0.000 0.807 482 L CB 1.306 43.329 42.059 -0.060 0.000 1.209 482 L HN 0.650 nan 8.230 nan 0.000 0.423 483 K N 5.223 125.553 120.400 -0.116 0.000 2.334 483 K HA 0.673 4.993 4.320 0.001 0.000 0.265 483 K C -0.525 175.920 176.600 -0.258 0.000 1.039 483 K CA -0.543 55.661 56.287 -0.138 0.000 0.920 483 K CB 1.032 33.471 32.500 -0.102 0.000 1.160 483 K HN 0.843 nan 8.250 nan 0.000 0.451 484 A N 3.775 126.474 122.820 -0.202 0.000 2.466 484 A HA 0.142 4.463 4.320 0.001 0.000 0.238 484 A C -0.782 176.669 177.584 -0.222 0.000 1.074 484 A CA 0.024 51.917 52.037 -0.239 0.000 0.774 484 A CB -0.065 18.883 19.000 -0.088 0.000 1.015 484 A HN 0.664 nan 8.150 nan 0.000 0.498 485 Y N 0.110 120.429 120.300 0.032 0.000 2.336 485 Y HA 0.368 4.918 4.550 0.001 0.000 0.331 485 Y C 1.099 177.044 175.900 0.074 0.000 1.211 485 Y CA 0.089 58.216 58.100 0.045 0.000 1.346 485 Y CB 0.751 39.241 38.460 0.050 0.000 1.271 485 Y HN 0.685 nan 8.280 nan 0.000 0.538 486 A N 2.453 125.433 122.820 0.267 0.000 3.037 486 A HA 0.645 4.965 4.320 0.001 0.000 0.272 486 A C 0.032 177.765 177.584 0.249 0.000 1.723 486 A CA 0.345 52.514 52.037 0.221 0.000 1.413 486 A CB -1.371 17.755 19.000 0.210 0.000 1.112 486 A HN 0.768 nan 8.150 nan 0.000 0.606 487 A N 0.294 123.235 122.820 0.201 0.000 2.604 487 A HA 0.794 5.115 4.320 0.001 0.000 0.295 487 A C -0.396 177.245 177.584 0.095 0.000 1.067 487 A CA 0.044 52.168 52.037 0.144 0.000 0.683 487 A CB 0.768 19.906 19.000 0.231 0.000 1.281 487 A HN 1.778 nan 8.150 nan 0.000 0.407 488 A N 0.846 123.669 122.820 0.004 0.000 2.288 488 A HA 0.781 5.102 4.320 0.001 0.000 0.320 488 A C -0.149 177.469 177.584 0.057 0.000 1.217 488 A CA -0.294 51.750 52.037 0.011 0.000 0.840 488 A CB 0.462 19.429 19.000 -0.054 0.000 1.179 488 A HN 0.919 nan 8.150 nan 0.000 0.504 489 T N 2.038 116.651 114.554 0.099 0.000 2.841 489 T HA 0.616 4.967 4.350 0.001 0.000 0.285 489 T C 0.624 175.366 174.700 0.069 0.000 0.991 489 T CA 0.083 62.264 62.100 0.134 0.000 0.966 489 T CB 1.633 70.574 68.868 0.122 0.000 0.962 489 T HN 0.982 nan 8.240 nan 0.000 0.438 490 G N 1.375 110.215 108.800 0.065 0.000 2.531 490 G HA2 0.758 4.719 3.960 0.001 0.000 0.281 490 G HA3 0.758 4.719 3.960 0.001 0.000 0.281 490 G C 0.170 175.085 174.900 0.025 0.000 1.382 490 G CA -0.280 44.844 45.100 0.041 0.000 1.045 490 G HN 0.904 nan 8.290 nan 0.000 0.533 491 G N -1.940 106.873 108.800 0.022 0.000 3.257 491 G HA2 0.420 4.380 3.960 0.001 0.000 0.205 491 G HA3 0.420 4.380 3.960 0.001 0.000 0.205 491 G C -0.001 174.909 174.900 0.016 0.000 1.234 491 G CA -0.038 45.069 45.100 0.011 0.000 0.918 491 G HN 0.312 nan 8.290 nan 0.000 0.602 492 D N 0.053 120.460 120.400 0.013 0.000 2.310 492 D HA 0.079 4.719 4.640 0.001 0.000 0.212 492 D C 1.581 177.895 176.300 0.023 0.000 0.965 492 D CA 0.881 54.891 54.000 0.017 0.000 0.879 492 D CB -0.154 40.653 40.800 0.012 0.000 0.921 492 D HN 0.362 nan 8.370 nan 0.000 0.510 493 G N -0.063 108.751 108.800 0.024 0.000 2.588 493 G HA2 0.148 4.109 3.960 0.001 0.000 0.281 493 G HA3 0.148 4.109 3.960 0.001 0.000 0.281 493 G C -0.391 174.529 174.900 0.033 0.000 1.236 493 G CA -0.533 44.582 45.100 0.026 0.000 0.969 493 G HN -0.133 nan 8.290 nan 0.000 0.504 494 D N 1.255 121.675 120.400 0.033 0.000 2.402 494 D HA 0.202 4.843 4.640 0.001 0.000 0.235 494 D C -0.257 176.065 176.300 0.036 0.000 1.226 494 D CA 0.287 54.310 54.000 0.039 0.000 0.918 494 D CB 0.693 41.516 40.800 0.037 0.000 1.043 494 D HN 0.150 nan 8.370 nan 0.000 0.506 495 D N 0.741 121.164 120.400 0.039 0.000 2.193 495 D HA 0.228 4.868 4.640 0.001 0.000 0.249 495 D C 0.126 176.446 176.300 0.033 0.000 1.034 495 D CA -0.551 53.468 54.000 0.033 0.000 0.902 495 D CB 2.453 43.273 40.800 0.032 0.000 1.182 495 D HN -0.020 nan 8.370 nan 0.000 0.436 496 V N 2.822 122.751 119.914 0.024 0.000 2.350 496 V HA 0.270 4.390 4.120 0.001 0.000 0.276 496 V C 0.145 176.244 176.094 0.009 0.000 1.028 496 V CA -0.575 61.737 62.300 0.020 0.000 0.860 496 V CB 0.865 32.698 31.823 0.016 0.000 0.990 496 V HN 0.287 nan 8.190 nan 0.000 0.453 497 L N 5.315 126.540 121.223 0.003 0.000 2.316 497 L HA 0.560 4.901 4.340 0.001 0.000 0.280 497 L C -0.238 176.603 176.870 -0.048 0.000 1.006 497 L CA -0.263 54.562 54.840 -0.025 0.000 0.836 497 L CB 1.702 43.736 42.059 -0.042 0.000 1.221 497 L HN 0.624 nan 8.230 nan 0.000 0.418 498 Q N 2.746 122.515 119.800 -0.051 0.000 2.347 498 Q HA 0.596 4.936 4.340 0.001 0.000 0.262 498 Q C -0.210 175.723 176.000 -0.111 0.000 0.980 498 Q CA -0.564 55.200 55.803 -0.066 0.000 0.867 498 Q CB 1.890 30.610 28.738 -0.030 0.000 1.242 498 Q HN 0.743 nan 8.270 nan 0.000 0.453 499 A N 4.290 126.985 122.820 -0.209 0.000 2.531 499 A HA 0.168 4.488 4.320 0.001 0.000 0.236 499 A C -0.269 177.225 177.584 -0.150 0.000 1.062 499 A CA 0.256 52.105 52.037 -0.313 0.000 0.760 499 A CB 0.310 18.875 19.000 -0.725 0.000 0.995 499 A HN 0.871 nan 8.150 nan 0.000 0.501 500 R N 1.148 121.602 120.500 -0.076 0.000 2.607 500 R HA 0.375 4.716 4.340 0.001 0.000 0.261 500 R C 1.656 178.021 176.300 0.109 0.000 1.051 500 R CA 0.095 56.212 56.100 0.029 0.000 1.110 500 R CB 0.800 31.118 30.300 0.031 0.000 1.158 500 R HN 0.888 nan 8.270 nan 0.000 0.543 501 S N -0.217 115.510 115.700 0.046 0.000 2.402 501 S HA -0.218 4.252 4.470 0.001 0.000 0.233 501 S C 1.018 175.449 174.600 -0.282 0.000 1.030 501 S CA 1.440 59.561 58.200 -0.133 0.000 1.003 501 S CB -0.352 62.694 63.200 -0.257 0.000 0.813 501 S HN 0.682 nan 8.310 nan 0.000 0.477 502 H N 0.532 119.642 119.070 0.067 0.000 2.592 502 H HA 0.402 4.959 4.556 0.001 0.000 0.279 502 H C -0.662 174.698 175.328 0.054 0.000 1.089 502 H CA -0.534 55.544 56.048 0.049 0.000 1.150 502 H CB 0.169 29.946 29.762 0.025 0.000 1.575 502 H HN 0.281 nan 8.280 nan 0.000 0.547 503 D N 0.540 121.008 120.400 0.113 0.000 2.425 503 D HA 0.124 4.764 4.640 0.001 0.000 0.247 503 D C 0.855 177.133 176.300 -0.037 0.000 1.147 503 D CA 0.245 54.258 54.000 0.021 0.000 0.879 503 D CB 1.568 42.304 40.800 -0.107 0.000 1.179 503 D HN 0.425 nan 8.370 nan 0.000 0.456 504 A N 2.932 125.733 122.820 -0.033 0.000 2.229 504 A HA 0.179 4.500 4.320 0.001 0.000 0.211 504 A C -0.398 176.832 177.584 -0.589 0.000 1.193 504 A CA -0.035 51.852 52.037 -0.251 0.000 0.879 504 A CB 0.284 19.174 19.000 -0.183 0.000 0.911 504 A HN 0.523 nan 8.150 nan 0.000 0.492 505 W N -1.089 119.965 121.300 -0.410 0.000 3.032 505 W HA 0.696 5.357 4.660 0.001 0.000 0.335 505 W C -0.948 175.084 176.519 -0.812 0.000 1.154 505 W CA -0.630 56.287 57.345 -0.712 0.000 1.204 505 W CB 1.010 29.923 29.460 -0.912 0.000 1.416 505 W HN -0.149 nan 8.180 nan 0.000 0.521 506 L N 2.590 123.369 121.223 -0.740 0.000 2.356 506 L HA 0.586 4.927 4.340 0.001 0.000 0.277 506 L C -1.319 175.142 176.870 -0.681 0.000 0.996 506 L CA -0.860 53.616 54.840 -0.606 0.000 0.822 506 L CB 1.192 42.945 42.059 -0.511 0.000 1.256 506 L HN 0.239 nan 8.230 nan 0.000 0.413 507 F N 0.824 120.690 119.950 -0.140 0.000 2.403 507 F HA 0.387 4.915 4.527 0.001 0.000 0.355 507 F C 1.162 176.916 175.800 -0.076 0.000 1.119 507 F CA -0.658 57.257 58.000 -0.142 0.000 1.007 507 F CB 1.739 40.617 39.000 -0.204 0.000 1.194 507 F HN 0.544 nan 8.300 nan 0.000 0.443 508 G N 1.750 110.619 108.800 0.116 0.000 2.421 508 G HA2 -0.087 3.874 3.960 0.001 0.000 0.217 508 G HA3 -0.087 3.874 3.960 0.001 0.000 0.217 508 G C 0.685 175.638 174.900 0.088 0.000 1.143 508 G CA 0.324 45.479 45.100 0.091 0.000 0.784 508 G HN 0.639 nan 8.290 nan 0.000 0.541 509 N N -0.407 118.353 118.700 0.100 0.000 2.615 509 N HA -0.186 4.554 4.740 0.001 0.000 0.167 509 N C 0.709 176.258 175.510 0.066 0.000 0.858 509 N CA 0.878 53.965 53.050 0.062 0.000 0.890 509 N CB -1.280 37.216 38.487 0.016 0.000 0.837 509 N HN 0.706 nan 8.380 nan 0.000 0.671 510 A N -0.083 122.764 122.820 0.045 0.000 2.409 510 A HA 0.513 4.833 4.320 0.001 0.000 0.246 510 A C 1.268 178.885 177.584 0.054 0.000 1.099 510 A CA 1.471 53.538 52.037 0.049 0.000 0.789 510 A CB -0.756 18.263 19.000 0.032 0.000 1.053 510 A HN 1.940 nan 8.150 nan 0.000 0.503 511 G N 0.095 108.928 108.800 0.055 0.000 2.796 511 G HA2 -0.101 3.859 3.960 0.001 0.000 0.571 511 G HA3 -0.101 3.859 3.960 0.001 0.000 0.571 511 G C -0.634 174.308 174.900 0.069 0.000 1.370 511 G CA -0.178 44.955 45.100 0.054 0.000 0.856 511 G HN 1.101 nan 8.290 nan 0.000 0.538 512 N N 2.178 120.917 118.700 0.065 0.000 2.558 512 N HA 0.376 5.117 4.740 0.001 0.000 0.233 512 N C -0.598 174.957 175.510 0.076 0.000 1.038 512 N CA -0.218 52.878 53.050 0.076 0.000 0.934 512 N CB 0.768 39.295 38.487 0.068 0.000 1.175 512 N HN 0.507 nan 8.380 nan 0.000 0.512 513 D N 0.373 120.827 120.400 0.089 0.000 2.277 513 D HA 0.309 4.950 4.640 0.001 0.000 0.250 513 D C -0.077 176.280 176.300 0.094 0.000 1.032 513 D CA -0.036 54.013 54.000 0.082 0.000 0.947 513 D CB 1.557 42.407 40.800 0.082 0.000 1.159 513 D HN 0.134 nan 8.370 nan 0.000 0.460 514 T N 1.595 116.196 114.554 0.078 0.000 2.772 514 T HA 0.364 4.714 4.350 0.001 0.000 0.288 514 T C -0.303 174.449 174.700 0.087 0.000 0.994 514 T CA -0.574 61.577 62.100 0.085 0.000 0.951 514 T CB 0.471 69.371 68.868 0.054 0.000 0.933 514 T HN 0.013 nan 8.240 nan 0.000 0.447 515 L N 4.685 125.995 121.223 0.144 0.000 2.280 515 L HA 0.554 4.895 4.340 0.001 0.000 0.287 515 L C -0.224 176.790 176.870 0.240 0.000 1.023 515 L CA -0.291 54.641 54.840 0.154 0.000 0.819 515 L CB 0.961 43.156 42.059 0.227 0.000 1.212 515 L HN 0.620 nan 8.230 nan 0.000 0.420 516 I N 2.728 123.364 120.570 0.109 0.000 2.355 516 I HA 0.463 4.633 4.170 0.001 0.000 0.288 516 I C 1.053 177.206 176.117 0.060 0.000 0.999 516 I CA -0.466 60.907 61.300 0.122 0.000 1.163 516 I CB 1.554 39.580 38.000 0.043 0.000 1.316 516 I HN 0.677 nan 8.210 nan 0.000 0.454 517 G N 5.032 113.965 108.800 0.221 0.000 2.570 517 G HA2 0.270 4.230 3.960 0.001 0.000 0.276 517 G HA3 0.270 4.230 3.960 0.001 0.000 0.276 517 G C -0.452 174.477 174.900 0.048 0.000 1.346 517 G CA -0.221 44.946 45.100 0.112 0.000 1.034 517 G HN 0.848 nan 8.290 nan 0.000 0.512 518 H N -3.901 115.169 119.070 0.001 0.000 2.894 518 H HA 0.623 5.179 4.556 0.001 0.000 0.368 518 H C 1.051 176.364 175.328 -0.024 0.000 1.181 518 H CA -0.597 55.434 56.048 -0.027 0.000 1.146 518 H CB 1.641 31.360 29.762 -0.071 0.000 1.839 518 H HN 0.507 nan 8.280 nan 0.000 0.557 519 A N 1.040 123.894 122.820 0.057 0.000 1.986 519 A HA -0.130 4.191 4.320 0.001 0.000 0.220 519 A C 2.219 179.741 177.584 -0.103 0.000 1.171 519 A CA 1.831 53.851 52.037 -0.028 0.000 0.640 519 A CB -1.356 17.616 19.000 -0.047 0.000 0.811 519 A HN 0.892 nan 8.150 nan 0.000 0.451 520 G N -1.679 106.956 108.800 -0.276 0.000 2.744 520 G HA2 0.380 4.341 3.960 0.001 0.000 0.211 520 G HA3 0.380 4.341 3.960 0.001 0.000 0.211 520 G C 1.182 175.971 174.900 -0.185 0.000 1.143 520 G CA 0.693 45.618 45.100 -0.293 0.000 0.788 520 G HN 1.510 nan 8.290 nan 0.000 0.534 521 G N 0.873 109.644 108.800 -0.047 0.000 2.574 521 G HA2 -0.350 3.610 3.960 0.001 0.000 0.282 521 G HA3 -0.350 3.610 3.960 0.001 0.000 0.282 521 G C 0.438 175.344 174.900 0.010 0.000 1.257 521 G CA 0.281 45.403 45.100 0.037 0.000 0.956 521 G HN 1.121 nan 8.290 nan 0.000 0.560 522 N N -2.173 116.493 118.700 -0.058 0.000 2.721 522 N HA -0.151 4.589 4.740 0.001 0.000 0.249 522 N C -0.202 175.200 175.510 -0.180 0.000 1.072 522 N CA 0.758 53.738 53.050 -0.117 0.000 0.710 522 N CB -0.659 37.763 38.487 -0.108 0.000 0.993 522 N HN 0.930 nan 8.380 nan 0.000 0.547 523 L N 0.157 121.255 121.223 -0.208 0.000 2.346 523 L HA 0.528 4.869 4.340 0.001 0.000 0.274 523 L C -0.222 176.331 176.870 -0.528 0.000 1.007 523 L CA -0.165 54.432 54.840 -0.404 0.000 0.818 523 L CB 1.996 43.769 42.059 -0.477 0.000 1.284 523 L HN -0.037 nan 8.230 nan 0.000 0.424 524 T N 5.141 119.259 114.554 -0.728 0.000 2.743 524 T HA 0.469 4.820 4.350 0.001 0.000 0.292 524 T C -0.549 173.780 174.700 -0.618 0.000 0.972 524 T CA 0.155 61.851 62.100 -0.675 0.000 0.967 524 T CB -0.119 68.171 68.868 -0.964 0.000 0.926 524 T HN 0.249 nan 8.240 nan 0.000 0.459 525 F N 2.424 122.042 119.950 -0.554 0.000 2.411 525 F HA 0.480 5.007 4.527 0.001 0.000 0.355 525 F C 0.243 175.834 175.800 -0.348 0.000 1.117 525 F CA -0.881 56.887 58.000 -0.388 0.000 1.139 525 F CB 1.127 39.986 39.000 -0.235 0.000 1.120 525 F HN 0.184 nan 8.300 nan 0.000 0.493 526 V N 3.611 123.427 119.914 -0.162 0.000 2.327 526 V HA 0.242 4.363 4.120 0.001 0.000 0.272 526 V C 0.806 176.908 176.094 0.013 0.000 1.019 526 V CA -0.521 61.715 62.300 -0.107 0.000 0.814 526 V CB 0.877 32.678 31.823 -0.036 0.000 1.040 526 V HN 1.027 nan 8.190 nan 0.000 0.440 527 G N 2.326 111.155 108.800 0.048 0.000 2.443 527 G HA2 0.340 4.301 3.960 0.001 0.000 0.219 527 G HA3 0.340 4.301 3.960 0.001 0.000 0.219 527 G C 0.969 175.963 174.900 0.156 0.000 1.131 527 G CA 0.957 46.139 45.100 0.135 0.000 0.775 527 G HN 1.404 nan 8.290 nan 0.000 0.547 528 G N -0.482 108.421 108.800 0.172 0.000 2.598 528 G HA2 -0.018 3.943 3.960 0.001 0.000 0.244 528 G HA3 -0.018 3.943 3.960 0.001 0.000 0.244 528 G C 0.511 175.538 174.900 0.212 0.000 1.302 528 G CA 0.607 45.820 45.100 0.188 0.000 0.903 528 G HN 1.577 nan 8.290 nan 0.000 0.575 529 S N 0.090 115.889 115.700 0.164 0.000 2.587 529 S HA 0.619 5.090 4.470 0.001 0.000 0.260 529 S C 1.324 176.004 174.600 0.133 0.000 1.353 529 S CA 1.105 59.393 58.200 0.147 0.000 0.995 529 S CB 0.966 64.225 63.200 0.098 0.000 0.912 529 S HN 2.928 nan 8.310 nan 0.000 0.568 530 G N 0.681 109.548 108.800 0.111 0.000 2.796 530 G HA2 -0.059 3.902 3.960 0.001 0.000 0.571 530 G HA3 -0.059 3.902 3.960 0.001 0.000 0.571 530 G C -1.544 173.433 174.900 0.128 0.000 1.370 530 G CA -0.246 44.914 45.100 0.100 0.000 0.856 530 G HN 0.903 nan 8.290 nan 0.000 0.538 531 D N 1.719 122.186 120.400 0.111 0.000 2.412 531 D HA 0.482 5.122 4.640 0.001 0.000 0.224 531 D C -0.212 176.169 176.300 0.136 0.000 1.093 531 D CA -0.050 54.024 54.000 0.123 0.000 0.850 531 D CB 1.014 41.868 40.800 0.091 0.000 1.046 531 D HN 0.391 nan 8.370 nan 0.000 0.507 532 D N 1.526 122.031 120.400 0.175 0.000 2.269 532 D HA 0.436 5.077 4.640 0.001 0.000 0.244 532 D C 0.353 176.765 176.300 0.187 0.000 0.992 532 D CA -0.528 53.577 54.000 0.175 0.000 0.894 532 D CB 2.360 43.278 40.800 0.197 0.000 1.248 532 D HN 0.208 nan 8.370 nan 0.000 0.468 533 I N 1.475 122.151 120.570 0.176 0.000 2.354 533 I HA 0.245 4.416 4.170 0.001 0.000 0.292 533 I C -0.390 175.856 176.117 0.215 0.000 0.989 533 I CA -0.615 60.806 61.300 0.202 0.000 1.188 533 I CB 1.158 39.261 38.000 0.172 0.000 1.342 533 I HN 0.043 nan 8.210 nan 0.000 0.457 534 L N 7.152 128.512 121.223 0.229 0.000 2.294 534 L HA 0.465 4.806 4.340 0.001 0.000 0.283 534 L C -0.283 176.665 176.870 0.130 0.000 1.015 534 L CA -0.669 54.289 54.840 0.198 0.000 0.831 534 L CB 0.891 43.034 42.059 0.141 0.000 1.217 534 L HN 0.486 nan 8.230 nan 0.000 0.420 535 K N 2.969 123.466 120.400 0.163 0.000 2.357 535 K HA 0.340 4.661 4.320 0.001 0.000 0.251 535 K C 0.412 177.089 176.600 0.129 0.000 1.069 535 K CA -0.380 55.985 56.287 0.130 0.000 0.994 535 K CB 1.453 34.003 32.500 0.084 0.000 1.411 535 K HN 0.745 nan 8.250 nan 0.000 0.450 536 G N 1.488 110.310 108.800 0.036 0.000 2.365 536 G HA2 0.305 4.266 3.960 0.001 0.000 0.249 536 G HA3 0.305 4.266 3.960 0.001 0.000 0.249 536 G C -0.370 174.630 174.900 0.167 0.000 1.288 536 G CA -0.206 44.965 45.100 0.117 0.000 0.887 536 G HN 0.297 nan 8.290 nan 0.000 0.524 537 V N 2.454 122.489 119.914 0.202 0.000 2.709 537 V HA 0.845 4.965 4.120 0.001 0.000 0.308 537 V C 0.905 177.063 176.094 0.107 0.000 1.062 537 V CA 0.501 62.883 62.300 0.137 0.000 0.901 537 V CB 0.845 32.752 31.823 0.140 0.000 1.003 537 V HN 1.767 nan 8.190 nan 0.000 0.425 538 G N 4.978 113.810 108.800 0.054 0.000 2.601 538 G HA2 -0.193 3.767 3.960 0.001 0.000 0.252 538 G HA3 -0.193 3.767 3.960 0.001 0.000 0.252 538 G C -0.510 174.391 174.900 0.001 0.000 1.294 538 G CA 0.025 45.136 45.100 0.018 0.000 0.912 538 G HN 0.754 nan 8.290 nan 0.000 0.574 539 N N 0.720 119.405 118.700 -0.024 0.000 2.432 539 N HA 0.611 5.352 4.740 0.001 0.000 0.292 539 N C 0.923 176.397 175.510 -0.059 0.000 1.193 539 N CA 0.913 53.933 53.050 -0.049 0.000 0.878 539 N CB 1.192 39.645 38.487 -0.056 0.000 1.252 539 N HN 2.206 nan 8.380 nan 0.000 0.520 540 G N 0.101 108.853 108.800 -0.079 0.000 2.147 540 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 540 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 540 G C -0.401 174.429 174.900 -0.117 0.000 1.005 540 G CA -0.275 44.770 45.100 -0.090 0.000 0.713 540 G HN 0.569 nan 8.290 nan 0.000 0.515 541 N N 0.336 118.962 118.700 -0.123 0.000 2.513 541 N HA 0.480 5.221 4.740 0.001 0.000 0.274 541 N C -0.130 175.198 175.510 -0.304 0.000 1.189 541 N CA 0.410 53.327 53.050 -0.222 0.000 0.975 541 N CB 1.089 39.438 38.487 -0.231 0.000 1.157 541 N HN 0.146 nan 8.380 nan 0.000 0.465 542 T N 1.678 115.976 114.554 -0.428 0.000 2.807 542 T HA 0.496 4.846 4.350 0.001 0.000 0.279 542 T C -0.571 173.813 174.700 -0.527 0.000 0.993 542 T CA -0.400 61.501 62.100 -0.332 0.000 0.970 542 T CB 0.292 69.003 68.868 -0.262 0.000 0.950 542 T HN 0.183 nan 8.240 nan 0.000 0.441 543 F N 3.000 122.903 119.950 -0.078 0.000 2.402 543 F HA 0.606 5.134 4.527 0.001 0.000 0.355 543 F C -0.240 175.200 175.800 -0.599 0.000 1.123 543 F CA -1.114 56.733 58.000 -0.254 0.000 1.021 543 F CB 1.203 40.144 39.000 -0.099 0.000 1.160 543 F HN 0.258 nan 8.300 nan 0.000 0.451 544 L N 5.101 125.896 121.223 -0.713 0.000 2.322 544 L HA 0.733 5.073 4.340 0.001 0.000 0.281 544 L C -1.661 174.600 176.870 -1.015 0.000 1.014 544 L CA -0.649 53.806 54.840 -0.642 0.000 0.815 544 L CB 0.760 42.700 42.059 -0.199 0.000 1.247 544 L HN 0.396 nan 8.230 nan 0.000 0.421 545 F N 3.029 122.734 119.950 -0.409 0.000 2.561 545 F HA 0.704 5.232 4.527 0.001 0.000 0.313 545 F C 0.084 175.724 175.800 -0.267 0.000 1.126 545 F CA -0.578 57.094 58.000 -0.548 0.000 0.918 545 F CB 2.312 40.497 39.000 -1.357 0.000 1.199 545 F HN 0.446 nan 8.300 nan 0.000 0.444 546 S N 1.433 117.214 115.700 0.135 0.000 2.540 546 S HA 0.751 5.221 4.470 0.001 0.000 0.275 546 S C 0.090 174.891 174.600 0.335 0.000 1.123 546 S CA 0.193 58.524 58.200 0.219 0.000 0.907 546 S CB 1.326 64.621 63.200 0.158 0.000 1.081 546 S HN 1.531 nan 8.310 nan 0.000 0.476 547 G N 3.651 112.648 108.800 0.329 0.000 2.596 547 G HA2 -0.208 3.752 3.960 0.001 0.000 0.295 547 G HA3 -0.208 3.752 3.960 0.001 0.000 0.295 547 G C -0.941 174.160 174.900 0.335 0.000 1.240 547 G CA 0.411 45.692 45.100 0.302 0.000 0.985 547 G HN 0.768 nan 8.290 nan 0.000 0.555 548 D N 1.769 122.303 120.400 0.222 0.000 2.422 548 D HA 0.418 5.058 4.640 0.001 0.000 0.227 548 D C 0.980 177.373 176.300 0.155 0.000 1.190 548 D CA 0.229 54.303 54.000 0.122 0.000 0.905 548 D CB -0.156 40.684 40.800 0.066 0.000 1.034 548 D HN 0.452 nan 8.370 nan 0.000 0.507 549 F N 0.007 120.045 119.950 0.146 0.000 2.664 549 F HA 0.422 4.950 4.527 0.001 0.000 0.303 549 F C 1.093 176.993 175.800 0.166 0.000 1.092 549 F CA -0.288 57.818 58.000 0.176 0.000 1.305 549 F CB 0.063 39.220 39.000 0.261 0.000 1.054 549 F HN 0.357 nan 8.300 nan 0.000 0.565 550 G N 1.965 110.678 108.800 -0.145 0.000 2.598 550 G HA2 -0.234 3.727 3.960 0.001 0.000 0.244 550 G HA3 -0.234 3.727 3.960 0.001 0.000 0.244 550 G C -0.557 174.299 174.900 -0.073 0.000 1.302 550 G CA -0.528 44.541 45.100 -0.051 0.000 0.903 550 G HN 0.546 nan 8.290 nan 0.000 0.575 551 R N 0.904 121.433 120.500 0.048 0.000 2.310 551 R HA 0.471 4.812 4.340 0.001 0.000 0.316 551 R C -1.366 175.018 176.300 0.141 0.000 1.004 551 R CA -0.780 55.362 56.100 0.070 0.000 0.900 551 R CB 1.170 31.494 30.300 0.040 0.000 1.152 551 R HN 0.466 nan 8.270 nan 0.000 0.513 552 D N 1.790 122.313 120.400 0.206 0.000 2.268 552 D HA 0.236 4.877 4.640 0.001 0.000 0.249 552 D C -0.292 176.085 176.300 0.128 0.000 1.008 552 D CA -0.352 53.783 54.000 0.225 0.000 0.939 552 D CB 1.463 42.492 40.800 0.381 0.000 1.170 552 D HN 0.218 nan 8.370 nan 0.000 0.468 553 Q N 0.590 120.460 119.800 0.116 0.000 2.331 553 Q HA 0.536 4.877 4.340 0.001 0.000 0.267 553 Q C -0.930 175.075 176.000 0.009 0.000 1.006 553 Q CA -0.640 55.175 55.803 0.021 0.000 0.818 553 Q CB 2.693 31.463 28.738 0.054 0.000 1.276 553 Q HN 0.298 nan 8.270 nan 0.000 0.450 554 L N 3.630 124.757 121.223 -0.160 0.000 2.316 554 L HA 0.487 4.828 4.340 0.001 0.000 0.280 554 L C -1.598 175.106 176.870 -0.277 0.000 1.006 554 L CA -0.663 54.048 54.840 -0.214 0.000 0.836 554 L CB 0.652 42.488 42.059 -0.371 0.000 1.221 554 L HN 0.655 nan 8.230 nan 0.000 0.418 555 Y N 2.756 122.975 120.300 -0.135 0.000 2.387 555 Y HA 0.518 5.068 4.550 0.001 0.000 0.330 555 Y C 1.278 177.139 175.900 -0.065 0.000 1.133 555 Y CA 0.321 58.378 58.100 -0.071 0.000 1.152 555 Y CB 2.003 40.448 38.460 -0.025 0.000 1.215 555 Y HN 0.749 nan 8.280 nan 0.000 0.466 556 G N 1.801 110.682 108.800 0.136 0.000 2.143 556 G HA2 -0.328 3.633 3.960 0.001 0.000 0.249 556 G HA3 -0.328 3.633 3.960 0.001 0.000 0.249 556 G C -0.148 174.805 174.900 0.089 0.000 0.981 556 G CA -0.447 44.716 45.100 0.106 0.000 0.665 556 G HN 0.524 nan 8.290 nan 0.000 0.528 557 F N 2.269 122.160 119.950 -0.098 0.000 2.572 557 F HA 0.450 4.977 4.527 0.001 0.000 0.370 557 F C 0.705 176.493 175.800 -0.020 0.000 1.103 557 F CA 0.569 58.515 58.000 -0.091 0.000 1.286 557 F CB 0.517 39.406 39.000 -0.185 0.000 1.105 557 F HN 0.588 nan 8.300 nan 0.000 0.583 558 N N 3.036 121.420 118.700 -0.526 0.000 2.902 558 N HA 0.508 5.248 4.740 0.001 0.000 0.268 558 N C -0.275 174.974 175.510 -0.435 0.000 1.450 558 N CA -0.338 52.522 53.050 -0.315 0.000 0.819 558 N CB 0.766 39.156 38.487 -0.163 0.000 1.540 558 N HN 0.434 nan 8.380 nan 0.000 0.545 559 A N -0.528 122.173 122.820 -0.199 0.000 2.125 559 A HA -0.056 4.265 4.320 0.001 0.000 0.219 559 A C 1.651 179.152 177.584 -0.138 0.000 1.156 559 A CA 1.801 53.763 52.037 -0.125 0.000 0.671 559 A CB -1.188 17.779 19.000 -0.055 0.000 0.794 559 A HN 0.820 nan 8.150 nan 0.000 0.459 560 S N -0.738 114.857 115.700 -0.174 0.000 2.548 560 S HA 0.075 4.546 4.470 0.001 0.000 0.215 560 S C 0.077 174.582 174.600 -0.159 0.000 0.976 560 S CA -0.190 57.932 58.200 -0.131 0.000 0.908 560 S CB -0.097 63.042 63.200 -0.102 0.000 0.781 560 S HN 0.388 nan 8.310 nan 0.000 0.519 561 D N 1.754 121.971 120.400 -0.304 0.000 2.388 561 D HA 0.483 5.124 4.640 0.001 0.000 0.254 561 D C -0.395 175.861 176.300 -0.073 0.000 1.111 561 D CA -0.155 53.686 54.000 -0.264 0.000 0.993 561 D CB 1.039 41.546 40.800 -0.489 0.000 1.118 561 D HN 0.275 nan 8.370 nan 0.000 0.502 562 K N 0.433 120.936 120.400 0.172 0.000 2.464 562 K HA 0.495 4.816 4.320 0.001 0.000 0.253 562 K C -1.475 175.349 176.600 0.375 0.000 0.933 562 K CA -0.625 55.814 56.287 0.254 0.000 0.801 562 K CB 1.225 33.784 32.500 0.098 0.000 1.271 562 K HN 0.283 nan 8.250 nan 0.000 0.430 563 L N 3.704 125.100 121.223 0.289 0.000 2.307 563 L HA 0.563 4.903 4.340 0.001 0.000 0.284 563 L C -0.861 175.949 176.870 -0.099 0.000 1.023 563 L CA -1.254 53.649 54.840 0.105 0.000 0.810 563 L CB 1.835 43.930 42.059 0.061 0.000 1.231 563 L HN 0.293 nan 8.230 nan 0.000 0.423 564 V N 3.436 123.183 119.914 -0.279 0.000 2.483 564 V HA 0.447 4.568 4.120 0.001 0.000 0.297 564 V C -0.779 175.048 176.094 -0.445 0.000 1.027 564 V CA -0.395 61.736 62.300 -0.281 0.000 0.855 564 V CB 1.588 33.331 31.823 -0.133 0.000 0.995 564 V HN 0.388 nan 8.190 nan 0.000 0.424 565 F N 5.324 125.229 119.950 -0.076 0.000 2.449 565 F HA 0.686 5.214 4.527 0.001 0.000 0.342 565 F C 0.027 175.793 175.800 -0.057 0.000 1.127 565 F CA -0.603 57.324 58.000 -0.121 0.000 0.975 565 F CB 1.541 40.392 39.000 -0.248 0.000 1.146 565 F HN 0.236 nan 8.300 nan 0.000 0.444 566 I N 2.283 122.944 120.570 0.151 0.000 2.447 566 I HA 0.493 4.663 4.170 0.001 0.000 0.287 566 I C 0.542 176.800 176.117 0.235 0.000 1.023 566 I CA -0.977 60.414 61.300 0.151 0.000 1.083 566 I CB 1.825 39.878 38.000 0.088 0.000 1.245 566 I HN 0.800 nan 8.210 nan 0.000 0.434 567 G N 3.789 112.787 108.800 0.330 0.000 2.295 567 G HA2 -0.220 3.740 3.960 0.001 0.000 0.287 567 G HA3 -0.220 3.740 3.960 0.001 0.000 0.287 567 G C 0.094 175.188 174.900 0.323 0.000 1.055 567 G CA 0.520 45.853 45.100 0.388 0.000 0.922 567 G HN 0.814 nan 8.290 nan 0.000 0.503 568 T N -2.619 112.131 114.554 0.327 0.000 2.944 568 T HA 0.666 5.017 4.350 0.001 0.000 0.284 568 T C 0.242 175.182 174.700 0.400 0.000 1.010 568 T CA -0.689 61.624 62.100 0.354 0.000 1.025 568 T CB 2.066 71.105 68.868 0.284 0.000 1.079 568 T HN 0.320 nan 8.240 nan 0.000 0.516 569 E N 0.287 120.728 120.200 0.403 0.000 2.442 569 E HA 0.410 4.760 4.350 0.001 0.000 0.262 569 E C 0.617 177.450 176.600 0.389 0.000 1.004 569 E CA 0.868 57.484 56.400 0.359 0.000 0.928 569 E CB 0.041 29.914 29.700 0.287 0.000 0.937 569 E HN 1.152 nan 8.360 nan 0.000 0.446 570 G N 0.909 109.821 108.800 0.186 0.000 2.911 570 G HA2 0.028 3.989 3.960 0.001 0.000 0.686 570 G HA3 0.028 3.989 3.960 0.001 0.000 0.686 570 G C 0.132 174.979 174.900 -0.089 0.000 1.136 570 G CA -0.354 44.767 45.100 0.034 0.000 0.764 570 G HN 0.562 nan 8.290 nan 0.000 0.626 571 A N 1.237 123.858 122.820 -0.332 0.000 2.095 571 A HA 0.668 4.988 4.320 0.001 0.000 0.212 571 A C 1.777 179.354 177.584 -0.012 0.000 1.162 571 A CA 1.749 53.594 52.037 -0.319 0.000 0.753 571 A CB -0.068 18.687 19.000 -0.408 0.000 0.840 571 A HN 2.253 nan 8.150 nan 0.000 0.468 572 S N -0.240 115.448 115.700 -0.020 0.000 2.562 572 S HA 0.379 4.850 4.470 0.001 0.000 0.281 572 S C 1.126 175.841 174.600 0.192 0.000 1.333 572 S CA 0.148 58.365 58.200 0.029 0.000 1.052 572 S CB 1.042 64.165 63.200 -0.129 0.000 0.884 572 S HN 0.505 nan 8.310 nan 0.000 0.506 573 G N 3.181 112.060 108.800 0.130 0.000 3.189 573 G HA2 0.099 4.059 3.960 0.001 0.000 0.225 573 G HA3 0.099 4.059 3.960 0.001 0.000 0.225 573 G C 0.226 175.197 174.900 0.119 0.000 1.159 573 G CA -0.341 44.839 45.100 0.133 0.000 0.763 573 G HN 0.645 nan 8.290 nan 0.000 0.549 574 N N 0.821 119.597 118.700 0.127 0.000 2.444 574 N HA 0.191 4.932 4.740 0.001 0.000 0.262 574 N C 0.879 176.481 175.510 0.154 0.000 0.974 574 N CA -0.813 52.293 53.050 0.094 0.000 0.933 574 N CB 1.536 40.045 38.487 0.036 0.000 1.137 574 N HN -0.101 nan 8.380 nan 0.000 0.498 575 I N 4.262 124.901 120.570 0.117 0.000 2.567 575 I HA -0.095 4.075 4.170 0.001 0.000 0.257 575 I C 1.873 178.050 176.117 0.101 0.000 1.184 575 I CA 1.193 62.560 61.300 0.112 0.000 1.451 575 I CB 0.062 38.082 38.000 0.034 0.000 1.089 575 I HN 0.533 nan 8.210 nan 0.000 0.441 576 R N 0.165 120.691 120.500 0.042 0.000 2.159 576 R HA -0.157 4.183 4.340 0.001 0.000 0.237 576 R C 1.521 177.789 176.300 -0.054 0.000 1.131 576 R CA 1.418 57.511 56.100 -0.010 0.000 0.982 576 R CB -0.502 29.785 30.300 -0.022 0.000 0.868 576 R HN 0.404 nan 8.270 nan 0.000 0.453 577 D N -0.467 119.885 120.400 -0.079 0.000 2.310 577 D HA -0.121 4.519 4.640 0.001 0.000 0.212 577 D C 0.976 177.033 176.300 -0.405 0.000 0.965 577 D CA 1.197 55.043 54.000 -0.256 0.000 0.879 577 D CB 0.056 40.638 40.800 -0.364 0.000 0.921 577 D HN 0.361 nan 8.370 nan 0.000 0.510 578 Y N 0.114 120.239 120.300 -0.292 0.000 2.462 578 Y HA 0.358 4.909 4.550 0.001 0.000 0.261 578 Y C 1.030 176.739 175.900 -0.318 0.000 1.146 578 Y CA -0.292 57.552 58.100 -0.427 0.000 1.283 578 Y CB 0.458 38.480 38.460 -0.729 0.000 1.090 578 Y HN -0.190 nan 8.280 nan 0.000 0.526 579 A N 0.809 123.578 122.820 -0.085 0.000 2.306 579 A HA 0.661 4.981 4.320 0.001 0.000 0.314 579 A C 0.070 177.601 177.584 -0.087 0.000 1.164 579 A CA -0.128 51.861 52.037 -0.081 0.000 0.822 579 A CB 0.192 19.156 19.000 -0.061 0.000 1.130 579 A HN 0.194 nan 8.150 nan 0.000 0.496 580 T N -0.055 114.452 114.554 -0.080 0.000 2.916 580 T HA 0.554 4.905 4.350 0.001 0.000 0.298 580 T C -0.773 173.889 174.700 -0.063 0.000 1.031 580 T CA -0.669 61.388 62.100 -0.072 0.000 0.993 580 T CB 1.487 70.311 68.868 -0.073 0.000 1.045 580 T HN 0.599 nan 8.240 nan 0.000 0.454 581 Q N 1.756 121.522 119.800 -0.056 0.000 2.296 581 Q HA 0.367 4.707 4.340 0.001 0.000 0.257 581 Q C -0.720 175.253 176.000 -0.045 0.000 0.942 581 Q CA -0.018 55.755 55.803 -0.050 0.000 0.939 581 Q CB 0.893 29.603 28.738 -0.046 0.000 1.198 581 Q HN 0.690 nan 8.270 nan 0.000 0.429 582 Q N 4.326 124.099 119.800 -0.045 0.000 2.413 582 Q HA 0.313 4.653 4.340 0.001 0.000 0.258 582 Q C -0.363 175.617 176.000 -0.034 0.000 1.037 582 Q CA -0.361 55.419 55.803 -0.039 0.000 0.764 582 Q CB 0.818 29.532 28.738 -0.041 0.000 1.217 582 Q HN 0.909 nan 8.270 nan 0.000 0.490 583 N N 1.162 119.845 118.700 -0.027 0.000 1.188 583 N HA -0.269 4.471 4.740 0.001 0.000 0.128 583 N C -0.192 175.305 175.510 -0.021 0.000 0.759 583 N CA 1.403 54.440 53.050 -0.021 0.000 0.905 583 N CB -0.457 38.020 38.487 -0.018 0.000 1.156 583 N HN 0.557 nan 8.380 nan 0.000 0.553 584 D N 1.314 121.702 120.400 -0.019 0.000 2.349 584 D HA 0.085 4.725 4.640 0.001 0.000 0.224 584 D C -0.688 175.594 176.300 -0.030 0.000 1.029 584 D CA 0.968 54.959 54.000 -0.015 0.000 0.879 584 D CB -0.248 40.547 40.800 -0.007 0.000 0.906 584 D HN 0.244 nan 8.370 nan 0.000 0.528 585 D N 0.431 120.804 120.400 -0.046 0.000 2.248 585 D HA 0.256 4.897 4.640 0.001 0.000 0.246 585 D C -0.305 175.954 176.300 -0.069 0.000 1.027 585 D CA -0.682 53.276 54.000 -0.071 0.000 0.853 585 D CB 2.426 43.173 40.800 -0.087 0.000 1.243 585 D HN -0.100 nan 8.370 nan 0.000 0.462 586 L N 1.955 123.126 121.223 -0.085 0.000 2.275 586 L HA 0.358 4.699 4.340 0.001 0.000 0.288 586 L C -1.142 175.672 176.870 -0.093 0.000 1.046 586 L CA -0.505 54.284 54.840 -0.085 0.000 0.805 586 L CB 1.395 43.399 42.059 -0.093 0.000 1.193 586 L HN 0.111 nan 8.230 nan 0.000 0.426 587 V N 6.826 126.695 119.914 -0.075 0.000 2.370 587 V HA 0.375 4.495 4.120 0.001 0.000 0.283 587 V C -0.009 176.049 176.094 -0.060 0.000 1.023 587 V CA -0.532 61.731 62.300 -0.062 0.000 0.857 587 V CB 1.351 33.142 31.823 -0.053 0.000 0.985 587 V HN 0.570 nan 8.190 nan 0.000 0.443 588 L N 5.058 126.262 121.223 -0.032 0.000 2.264 588 L HA 0.723 5.063 4.340 0.001 0.000 0.287 588 L C 0.430 177.306 176.870 0.011 0.000 1.039 588 L CA -0.310 54.507 54.840 -0.040 0.000 0.829 588 L CB 1.227 43.302 42.059 0.027 0.000 1.211 588 L HN 0.705 nan 8.230 nan 0.000 0.427 589 A N 3.608 126.342 122.820 -0.144 0.000 2.276 589 A HA 0.727 5.047 4.320 0.001 0.000 0.316 589 A C -0.584 176.861 177.584 -0.232 0.000 1.229 589 A CA -0.232 51.755 52.037 -0.084 0.000 0.851 589 A CB 0.144 19.084 19.000 -0.100 0.000 1.165 589 A HN 0.648 nan 8.150 nan 0.000 0.513 590 F N 2.795 122.748 119.950 0.005 0.000 2.597 590 F HA 0.451 4.979 4.527 0.001 0.000 0.336 590 F C 1.399 177.178 175.800 -0.036 0.000 1.432 590 F CA 0.568 58.596 58.000 0.047 0.000 1.120 590 F CB 0.680 39.726 39.000 0.077 0.000 1.253 590 F HN 1.075 nan 8.300 nan 0.000 0.546 591 G N 0.878 109.684 108.800 0.010 0.000 2.574 591 G HA2 -0.423 3.537 3.960 0.001 0.000 0.301 591 G HA3 -0.423 3.537 3.960 0.001 0.000 0.301 591 G C 0.806 175.612 174.900 -0.156 0.000 1.166 591 G CA 0.736 45.767 45.100 -0.114 0.000 0.971 591 G HN 0.528 nan 8.290 nan 0.000 0.542 592 H N 1.547 120.605 119.070 -0.020 0.000 2.545 592 H HA 0.408 4.965 4.556 0.001 0.000 0.282 592 H C 1.325 176.575 175.328 -0.131 0.000 1.020 592 H CA 0.969 56.985 56.048 -0.053 0.000 1.243 592 H CB 0.074 29.814 29.762 -0.036 0.000 1.377 592 H HN 0.338 nan 8.280 nan 0.000 0.581 593 S N 0.247 115.872 115.700 -0.125 0.000 2.607 593 S HA 0.493 4.963 4.470 0.001 0.000 0.303 593 S C -0.609 173.843 174.600 -0.246 0.000 1.086 593 S CA -1.058 56.859 58.200 -0.470 0.000 0.995 593 S CB 2.560 64.949 63.200 -1.352 0.000 1.084 593 S HN 0.436 nan 8.310 nan 0.000 0.507 594 Q N -0.923 118.767 119.800 -0.183 0.000 2.702 594 Q HA 0.742 5.082 4.340 0.001 0.000 0.289 594 Q C -2.099 174.044 176.000 0.239 0.000 0.923 594 Q CA -0.983 54.917 55.803 0.163 0.000 0.787 594 Q CB 1.626 30.411 28.738 0.079 0.000 1.476 594 Q HN 0.477 nan 8.270 nan 0.000 0.402 595 V N 0.817 120.842 119.914 0.186 0.000 2.638 595 V HA 0.629 4.750 4.120 0.001 0.000 0.306 595 V C -1.303 174.777 176.094 -0.023 0.000 1.052 595 V CA -0.112 62.210 62.300 0.037 0.000 0.885 595 V CB 2.222 33.922 31.823 -0.205 0.000 0.999 595 V HN 0.923 nan 8.190 nan 0.000 0.424 596 T N 8.274 122.796 114.554 -0.052 0.000 2.743 596 T HA 0.540 4.890 4.350 0.001 0.000 0.292 596 T C -0.475 174.117 174.700 -0.180 0.000 0.972 596 T CA -0.105 61.934 62.100 -0.101 0.000 0.967 596 T CB 0.748 69.563 68.868 -0.089 0.000 0.926 596 T HN 0.443 nan 8.240 nan 0.000 0.459 597 L N 4.892 125.992 121.223 -0.204 0.000 2.268 597 L HA 0.392 4.732 4.340 0.001 0.000 0.289 597 L C 0.023 176.758 176.870 -0.225 0.000 1.064 597 L CA -0.283 54.400 54.840 -0.261 0.000 0.824 597 L CB 0.027 41.895 42.059 -0.319 0.000 1.202 597 L HN 0.561 nan 8.230 nan 0.000 0.433 598 I N 3.490 123.876 120.570 -0.307 0.000 2.556 598 I HA 0.269 4.440 4.170 0.001 0.000 0.284 598 I C 1.390 177.421 176.117 -0.143 0.000 1.114 598 I CA 0.584 61.710 61.300 -0.290 0.000 1.418 598 I CB 0.404 38.060 38.000 -0.573 0.000 1.394 598 I HN 0.794 nan 8.210 nan 0.000 0.552 599 G N 4.038 112.789 108.800 -0.080 0.000 2.198 599 G HA2 -0.163 3.797 3.960 0.001 0.000 0.260 599 G HA3 -0.163 3.797 3.960 0.001 0.000 0.260 599 G C -0.092 174.814 174.900 0.011 0.000 1.025 599 G CA 0.146 45.234 45.100 -0.020 0.000 0.769 599 G HN 0.499 nan 8.290 nan 0.000 0.507 600 V N 0.370 120.284 119.914 -0.001 0.000 2.680 600 V HA 0.846 4.967 4.120 0.001 0.000 0.309 600 V C 0.442 176.561 176.094 0.042 0.000 1.052 600 V CA -0.095 62.233 62.300 0.047 0.000 0.908 600 V CB 2.151 33.985 31.823 0.019 0.000 1.001 600 V HN 1.004 nan 8.190 nan 0.000 0.431 601 S N 3.055 118.819 115.700 0.107 0.000 2.532 601 S HA 0.547 5.018 4.470 0.001 0.000 0.301 601 S C 0.390 174.991 174.600 0.003 0.000 1.083 601 S CA -0.613 57.606 58.200 0.032 0.000 1.025 601 S CB 1.890 65.093 63.200 0.004 0.000 1.056 601 S HN 0.599 nan 8.310 nan 0.000 0.494 602 L N 1.584 122.782 121.223 -0.041 0.000 2.127 602 L HA -0.068 4.272 4.340 0.001 0.000 0.211 602 L C 1.835 178.677 176.870 -0.046 0.000 1.089 602 L CA 2.401 57.218 54.840 -0.037 0.000 0.757 602 L CB -0.945 41.086 42.059 -0.047 0.000 0.899 602 L HN 0.944 nan 8.230 nan 0.000 0.434 603 D N -2.576 117.746 120.400 -0.130 0.000 2.378 603 D HA -0.204 4.436 4.640 0.001 0.000 0.222 603 D C 1.294 177.483 176.300 -0.185 0.000 0.980 603 D CA 1.287 55.178 54.000 -0.181 0.000 0.907 603 D CB -0.709 39.936 40.800 -0.259 0.000 0.899 603 D HN 0.612 nan 8.370 nan 0.000 0.527 604 H N -0.869 118.223 119.070 0.038 0.000 2.594 604 H HA 0.385 4.942 4.556 0.001 0.000 0.279 604 H C 0.054 175.436 175.328 0.090 0.000 1.042 604 H CA -0.420 55.661 56.048 0.056 0.000 1.177 604 H CB 0.690 30.488 29.762 0.059 0.000 1.524 604 H HN 0.085 nan 8.280 nan 0.000 0.537 605 I N 2.220 122.896 120.570 0.177 0.000 2.330 605 I HA 0.116 4.287 4.170 0.001 0.000 0.289 605 I C 0.255 176.449 176.117 0.128 0.000 1.001 605 I CA -0.737 60.675 61.300 0.186 0.000 1.193 605 I CB 1.314 39.410 38.000 0.159 0.000 1.345 605 I HN 0.145 nan 8.210 nan 0.000 0.461 606 S N 2.788 118.565 115.700 0.129 0.000 2.592 606 S HA 0.080 4.551 4.470 0.001 0.000 0.271 606 S C 1.432 176.085 174.600 0.088 0.000 1.326 606 S CA 0.001 58.256 58.200 0.091 0.000 1.024 606 S CB 1.479 64.725 63.200 0.077 0.000 0.921 606 S HN 0.812 nan 8.310 nan 0.000 0.527 607 T N -0.792 113.802 114.554 0.067 0.000 2.803 607 T HA -0.207 4.143 4.350 0.001 0.000 0.269 607 T C 1.178 175.920 174.700 0.069 0.000 1.052 607 T CA 1.630 63.767 62.100 0.063 0.000 1.136 607 T CB -1.005 67.892 68.868 0.049 0.000 0.864 607 T HN 0.839 nan 8.240 nan 0.000 0.467 608 D N 0.521 120.962 120.400 0.067 0.000 2.371 608 D HA -0.109 4.532 4.640 0.001 0.000 0.221 608 D C 1.741 178.089 176.300 0.081 0.000 0.986 608 D CA 0.351 54.390 54.000 0.066 0.000 0.899 608 D CB -0.296 40.536 40.800 0.054 0.000 0.902 608 D HN 0.513 nan 8.370 nan 0.000 0.530 609 Q N 0.311 120.177 119.800 0.110 0.000 2.403 609 Q HA 0.138 4.478 4.340 0.001 0.000 0.203 609 Q C -0.221 175.886 176.000 0.178 0.000 0.932 609 Q CA 0.153 56.052 55.803 0.160 0.000 0.945 609 Q CB 1.208 30.089 28.738 0.238 0.000 1.045 609 Q HN 0.132 nan 8.270 nan 0.000 0.511 610 V N 0.644 120.634 119.914 0.127 0.000 2.686 610 V HA 0.322 4.443 4.120 0.001 0.000 0.306 610 V C -0.602 175.531 176.094 0.065 0.000 1.065 610 V CA -0.825 61.553 62.300 0.129 0.000 0.894 610 V CB 2.215 34.132 31.823 0.157 0.000 1.004 610 V HN -0.244 nan 8.190 nan 0.000 0.424 611 V N 6.108 126.033 119.914 0.018 0.000 2.384 611 V HA 0.515 4.636 4.120 0.001 0.000 0.287 611 V C -0.419 175.681 176.094 0.010 0.000 1.020 611 V CA -0.429 61.803 62.300 -0.113 0.000 0.850 611 V CB 1.709 33.247 31.823 -0.474 0.000 0.987 611 V HN 0.668 nan 8.190 nan 0.000 0.436 612 L N 5.193 126.430 121.223 0.023 0.000 2.318 612 L HA 0.827 5.167 4.340 0.001 0.000 0.277 612 L C 0.270 177.176 176.870 0.059 0.000 1.008 612 L CA -0.017 54.876 54.840 0.089 0.000 0.846 612 L CB 1.344 43.450 42.059 0.080 0.000 1.220 612 L HN 0.778 nan 8.230 nan 0.000 0.423 613 A N 0.000 122.860 122.820 0.067 0.000 2.254 613 A HA 0.000 4.321 4.320 0.001 0.000 0.244 613 A CA 0.000 52.076 52.037 0.064 0.000 0.836 613 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 613 A HN 0.000 nan 8.150 nan 0.000 0.486