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_A 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 0.000 174.488 174.600 -0.186 0.000 1.055 -1 S CA 0.000 58.076 58.200 -0.206 0.000 1.107 -1 S CB 0.000 63.128 63.200 -0.120 0.000 0.593 0 H N 5.077 124.133 119.070 -0.023 0.000 2.683 0 H HA 0.335 4.891 4.556 -0.000 0.000 0.339 0 H C 0.681 175.975 175.328 -0.057 0.000 1.081 0 H CA -0.112 55.906 56.048 -0.051 0.000 1.432 0 H CB 0.889 30.616 29.762 -0.058 0.000 1.462 0 H HN 0.575 nan 8.280 nan 0.000 0.557 1 M N 1.152 120.780 119.600 0.045 0.000 2.306 1 M HA 0.188 4.668 4.480 -0.000 0.000 0.292 1 M C 0.707 176.980 176.300 -0.046 0.000 1.018 1 M CA 0.118 55.429 55.300 0.017 0.000 1.007 1 M CB 0.373 32.988 32.600 0.025 0.000 1.510 1 M HN 0.851 nan 8.290 nan 0.000 0.537 2 G N 1.529 110.184 108.800 -0.242 0.000 2.788 2 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 2 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 2 G C 0.249 174.832 174.900 -0.529 0.000 1.147 2 G CA -0.321 44.378 45.100 -0.669 0.000 0.755 2 G HN 0.376 nan 8.290 nan 0.000 0.634 3 I N 0.368 120.431 120.570 -0.844 0.000 2.454 3 I HA 0.025 4.194 4.170 -0.000 0.000 0.254 3 I C 1.536 177.440 176.117 -0.355 0.000 1.156 3 I CA 1.274 62.195 61.300 -0.632 0.000 1.433 3 I CB -0.115 37.368 38.000 -0.861 0.000 1.082 3 I HN 0.410 nan 8.210 nan 0.000 0.432 4 F N 0.445 120.383 119.950 -0.020 0.000 2.668 4 F HA 0.308 4.835 4.527 -0.000 0.000 0.297 4 F C 1.249 177.134 175.800 0.141 0.000 1.124 4 F CA -0.590 57.430 58.000 0.034 0.000 1.353 4 F CB -1.223 37.675 39.000 -0.171 0.000 0.992 4 F HN -0.138 nan 8.300 nan 0.000 0.524 5 S N 0.673 116.509 115.700 0.227 0.000 2.558 5 S HA 0.065 4.535 4.470 -0.000 0.000 0.288 5 S C -0.916 173.853 174.600 0.281 0.000 1.318 5 S CA 0.118 58.446 58.200 0.213 0.000 1.056 5 S CB 0.198 63.460 63.200 0.104 0.000 0.853 5 S HN 0.328 nan 8.310 nan 0.000 0.505 6 Y N 4.941 125.313 120.300 0.120 0.000 2.346 6 Y HA 0.414 4.963 4.550 -0.000 0.000 0.332 6 Y C 0.390 176.338 175.900 0.079 0.000 0.985 6 Y CA -0.565 57.599 58.100 0.106 0.000 1.112 6 Y CB 0.658 39.191 38.460 0.121 0.000 1.170 6 Y HN 1.024 nan 8.280 nan 0.000 0.447 7 K N 1.367 121.500 120.400 -0.446 0.000 2.004 7 K HA -0.288 4.031 4.320 -0.000 0.000 0.116 7 K C -0.061 176.466 176.600 -0.121 0.000 1.340 7 K CA 2.083 58.162 56.287 -0.347 0.000 0.509 7 K CB -0.812 31.397 32.500 -0.486 0.000 0.538 7 K HN 0.880 nan 8.250 nan 0.000 0.955 8 D N 1.472 121.827 120.400 -0.076 0.000 2.463 8 D HA 0.172 4.811 4.640 -0.000 0.000 0.224 8 D C 0.321 176.635 176.300 0.023 0.000 1.174 8 D CA -0.003 53.985 54.000 -0.020 0.000 0.829 8 D CB -0.307 40.479 40.800 -0.024 0.000 0.993 8 D HN 0.252 nan 8.370 nan 0.000 0.497 9 L N 1.376 122.635 121.223 0.061 0.000 2.467 9 L HA 0.125 4.465 4.340 -0.000 0.000 0.270 9 L C 0.870 177.792 176.870 0.087 0.000 1.205 9 L CA -0.504 54.395 54.840 0.098 0.000 0.828 9 L CB 0.367 42.527 42.059 0.170 0.000 1.101 9 L HN 0.078 nan 8.230 nan 0.000 0.479 10 D N 0.095 120.542 120.400 0.079 0.000 2.377 10 D HA -0.030 4.610 4.640 -0.000 0.000 0.245 10 D C 0.734 177.095 176.300 0.101 0.000 1.196 10 D CA -0.446 53.599 54.000 0.076 0.000 0.962 10 D CB 0.639 41.475 40.800 0.061 0.000 1.127 10 D HN 0.607 nan 8.370 nan 0.000 0.471 11 E N -0.372 119.891 120.200 0.105 0.000 2.077 11 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 11 E C 1.327 178.009 176.600 0.136 0.000 0.989 11 E CA 1.028 57.513 56.400 0.141 0.000 0.800 11 E CB 0.002 29.791 29.700 0.148 0.000 0.746 11 E HN 0.385 nan 8.360 nan 0.000 0.452 12 N N 0.325 119.084 118.700 0.100 0.000 2.166 12 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 12 N C 1.551 177.109 175.510 0.080 0.000 1.019 12 N CA 1.301 54.397 53.050 0.076 0.000 0.856 12 N CB -0.415 38.105 38.487 0.056 0.000 0.993 12 N HN 0.255 nan 8.380 nan 0.000 0.426 13 A N 0.585 123.459 122.820 0.089 0.000 1.898 13 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 13 A C 2.374 180.034 177.584 0.127 0.000 1.181 13 A CA 1.978 54.072 52.037 0.095 0.000 0.620 13 A CB -0.738 18.316 19.000 0.090 0.000 0.819 13 A HN 0.454 nan 8.150 nan 0.000 0.442 14 S N -0.027 115.769 115.700 0.162 0.000 2.406 14 S HA -0.116 4.354 4.470 -0.000 0.000 0.228 14 S C 1.794 176.527 174.600 0.221 0.000 1.020 14 S CA 1.259 59.586 58.200 0.213 0.000 0.965 14 S CB -0.297 63.059 63.200 0.261 0.000 0.798 14 S HN 0.602 nan 8.310 nan 0.000 0.488 15 K N 1.709 122.210 120.400 0.168 0.000 2.057 15 K HA 0.099 4.419 4.320 -0.000 0.000 0.206 15 K C 2.570 179.260 176.600 0.150 0.000 1.050 15 K CA 1.188 57.543 56.287 0.114 0.000 0.935 15 K CB -0.525 31.955 32.500 -0.034 0.000 0.715 15 K HN 0.479 nan 8.250 nan 0.000 0.439 16 A N 1.573 124.461 122.820 0.113 0.000 1.930 16 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 16 A C 2.114 179.770 177.584 0.120 0.000 1.175 16 A CA 1.084 53.182 52.037 0.101 0.000 0.627 16 A CB -0.487 18.555 19.000 0.070 0.000 0.815 16 A HN 0.253 nan 8.150 nan 0.000 0.443 17 L N -1.314 119.981 121.223 0.119 0.000 2.017 17 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 17 L C 2.183 179.092 176.870 0.066 0.000 1.073 17 L CA 2.450 57.335 54.840 0.074 0.000 0.745 17 L CB -0.876 41.200 42.059 0.027 0.000 0.894 17 L HN 0.415 nan 8.230 nan 0.000 0.432 18 F N -0.405 119.541 119.950 -0.006 0.000 2.095 18 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 18 F C 2.748 178.547 175.800 -0.001 0.000 1.104 18 F CA 1.877 59.861 58.000 -0.028 0.000 1.232 18 F CB -0.671 38.311 39.000 -0.029 0.000 0.987 18 F HN 0.225 nan 8.300 nan 0.000 0.475 19 S N 0.056 115.837 115.700 0.134 0.000 2.359 19 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 19 S C 1.847 176.421 174.600 -0.044 0.000 1.035 19 S CA 1.860 60.085 58.200 0.042 0.000 1.018 19 S CB -0.640 62.630 63.200 0.118 0.000 0.876 19 S HN 0.497 nan 8.310 nan 0.000 0.448 20 D N 1.258 121.683 120.400 0.043 0.000 2.104 20 D HA -0.054 4.585 4.640 -0.000 0.000 0.194 20 D C 2.247 178.438 176.300 -0.182 0.000 0.994 20 D CA 1.379 55.437 54.000 0.096 0.000 0.830 20 D CB -0.728 40.244 40.800 0.287 0.000 0.959 20 D HN 0.474 nan 8.370 nan 0.000 0.452 21 A N 0.853 123.550 122.820 -0.205 0.000 1.883 21 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 21 A C 2.176 179.647 177.584 -0.189 0.000 1.186 21 A CA 1.247 53.157 52.037 -0.210 0.000 0.624 21 A CB -0.792 18.110 19.000 -0.162 0.000 0.822 21 A HN 0.253 nan 8.150 nan 0.000 0.444 22 L N -0.394 120.614 121.223 -0.359 0.000 2.093 22 L HA -0.000 4.339 4.340 -0.000 0.000 0.208 22 L C 2.646 179.289 176.870 -0.378 0.000 1.085 22 L CA 2.025 56.510 54.840 -0.592 0.000 0.755 22 L CB -0.900 40.672 42.059 -0.812 0.000 0.904 22 L HN 0.357 nan 8.230 nan 0.000 0.435 23 A N 0.316 122.980 122.820 -0.260 0.000 1.877 23 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 23 A C 2.241 179.708 177.584 -0.195 0.000 1.186 23 A CA 2.112 54.047 52.037 -0.170 0.000 0.620 23 A CB -0.990 17.967 19.000 -0.071 0.000 0.822 23 A HN 0.658 nan 8.150 nan 0.000 0.443 24 I N -3.368 117.015 120.570 -0.312 0.000 2.439 24 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 24 I C 2.298 178.293 176.117 -0.203 0.000 1.139 24 I CA 1.720 62.827 61.300 -0.322 0.000 1.438 24 I CB -0.462 37.180 38.000 -0.596 0.000 1.085 24 I HN 0.232 nan 8.210 nan 0.000 0.427 25 S N 1.303 116.883 115.700 -0.200 0.000 2.356 25 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 25 S C 2.025 176.554 174.600 -0.119 0.000 1.032 25 S CA 2.434 60.554 58.200 -0.134 0.000 1.005 25 S CB -0.679 62.472 63.200 -0.083 0.000 0.867 25 S HN 0.632 nan 8.310 nan 0.000 0.449 26 T N 0.600 115.064 114.554 -0.150 0.000 2.708 26 T HA -0.115 4.234 4.350 -0.000 0.000 0.266 26 T C 1.485 176.164 174.700 -0.035 0.000 1.037 26 T CA 1.607 63.658 62.100 -0.082 0.000 1.146 26 T CB -0.657 68.139 68.868 -0.121 0.000 0.865 26 T HN 0.610 nan 8.240 nan 0.000 0.435 27 Y N 2.325 122.507 120.300 -0.197 0.000 2.193 27 Y HA -0.126 4.424 4.550 -0.000 0.000 0.285 27 Y C 2.436 178.097 175.900 -0.399 0.000 1.166 27 Y CA 0.701 58.637 58.100 -0.275 0.000 1.181 27 Y CB -0.782 37.516 38.460 -0.270 0.000 0.976 27 Y HN 0.196 nan 8.280 nan 0.000 0.520 28 A N -0.955 121.616 122.820 -0.416 0.000 2.076 28 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 28 A C 1.686 179.023 177.584 -0.411 0.000 1.160 28 A CA 1.707 53.457 52.037 -0.478 0.000 0.653 28 A CB -1.253 17.532 19.000 -0.359 0.000 0.801 28 A HN 0.650 nan 8.150 nan 0.000 0.455 29 Y N -1.466 118.682 120.300 -0.254 0.000 2.523 29 Y HA 0.046 4.596 4.550 -0.000 0.000 0.279 29 Y C 0.692 176.559 175.900 -0.056 0.000 1.139 29 Y CA 0.462 58.491 58.100 -0.118 0.000 1.296 29 Y CB -0.145 38.236 38.460 -0.133 0.000 1.045 29 Y HN 0.546 nan 8.280 nan 0.000 0.538 30 H N 0.367 119.349 119.070 -0.146 0.000 2.655 30 H HA -0.241 4.315 4.556 -0.000 0.000 0.313 30 H C 0.262 175.570 175.328 -0.032 0.000 1.141 30 H CA 0.752 56.709 56.048 -0.151 0.000 1.138 30 H CB -1.492 28.163 29.762 -0.177 0.000 1.446 30 H HN 0.430 nan 8.280 nan 0.000 0.415 31 N N -0.868 117.865 118.700 0.054 0.000 2.741 31 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 31 N C 1.207 176.747 175.510 0.049 0.000 1.115 31 N CA 0.910 53.985 53.050 0.042 0.000 0.724 31 N CB -1.085 37.425 38.487 0.037 0.000 1.090 31 N HN 0.562 nan 8.380 nan 0.000 0.558 32 I N 1.360 121.976 120.570 0.076 0.000 2.335 32 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 32 I C 1.528 177.676 176.117 0.051 0.000 1.129 32 I CA 1.924 63.268 61.300 0.074 0.000 1.402 32 I CB 0.036 38.108 38.000 0.119 0.000 1.069 32 I HN 0.229 nan 8.210 nan 0.000 0.424 33 D N -1.345 119.065 120.400 0.018 0.000 2.358 33 D HA -0.082 4.558 4.640 -0.000 0.000 0.224 33 D C 1.415 177.731 176.300 0.027 0.000 1.123 33 D CA -0.008 54.024 54.000 0.054 0.000 0.833 33 D CB -1.423 39.397 40.800 0.032 0.000 0.946 33 D HN 0.475 nan 8.370 nan 0.000 0.505 34 N N 0.991 119.691 118.700 0.001 0.000 2.069 34 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 34 N C 1.883 177.368 175.510 -0.042 0.000 1.031 34 N CA 1.651 54.676 53.050 -0.042 0.000 0.852 34 N CB -0.195 38.283 38.487 -0.015 0.000 1.018 34 N HN 0.296 nan 8.380 nan 0.000 0.423 35 G N -0.164 108.645 108.800 0.016 0.000 2.408 35 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 35 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 35 G C 1.323 176.240 174.900 0.029 0.000 1.150 35 G CA 0.133 45.247 45.100 0.023 0.000 0.776 35 G HN 0.387 nan 8.290 nan 0.000 0.542 36 F N 1.280 121.201 119.950 -0.048 0.000 2.146 36 F HA -0.063 4.463 4.527 -0.000 0.000 0.298 36 F C 2.420 178.112 175.800 -0.181 0.000 1.096 36 F CA 1.541 59.532 58.000 -0.014 0.000 1.275 36 F CB 0.106 39.156 39.000 0.083 0.000 1.008 36 F HN 0.150 nan 8.300 nan 0.000 0.480 37 D N 0.553 120.772 120.400 -0.302 0.000 2.106 37 D HA -0.281 4.359 4.640 -0.000 0.000 0.191 37 D C 2.104 178.324 176.300 -0.133 0.000 0.997 37 D CA 1.853 55.350 54.000 -0.838 0.000 0.834 37 D CB -0.428 39.784 40.800 -0.981 0.000 0.956 37 D HN 0.530 nan 8.370 nan 0.000 0.448 38 E N -0.583 119.566 120.200 -0.084 0.000 2.058 38 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 38 E C 2.130 178.746 176.600 0.027 0.000 0.997 38 E CA 1.354 57.753 56.400 -0.002 0.000 0.801 38 E CB -0.505 29.185 29.700 -0.018 0.000 0.746 38 E HN 0.366 nan 8.360 nan 0.000 0.450 39 G N 0.141 108.928 108.800 -0.022 0.000 2.433 39 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.216 39 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.216 39 G C 1.413 176.303 174.900 -0.016 0.000 1.186 39 G CA 1.041 46.108 45.100 -0.054 0.000 0.779 39 G HN 0.446 nan 8.290 nan 0.000 0.543 40 Y N 1.355 121.585 120.300 -0.116 0.000 2.114 40 Y HA -0.246 4.304 4.550 -0.000 0.000 0.282 40 Y C 2.779 178.672 175.900 -0.011 0.000 1.165 40 Y CA 2.441 60.537 58.100 -0.007 0.000 1.148 40 Y CB -0.591 37.963 38.460 0.156 0.000 0.972 40 Y HN 0.418 nan 8.280 nan 0.000 0.504 41 H N -0.771 118.277 119.070 -0.037 0.000 2.423 41 H HA -0.109 4.446 4.556 -0.000 0.000 0.297 41 H C 2.329 177.588 175.328 -0.115 0.000 1.075 41 H CA 1.724 57.698 56.048 -0.124 0.000 1.342 41 H CB -0.090 29.677 29.762 0.010 0.000 1.395 41 H HN 0.499 nan 8.280 nan 0.000 0.530 42 Q N 0.323 120.141 119.800 0.031 0.000 2.062 42 Q HA -0.088 4.252 4.340 -0.000 0.000 0.196 42 Q C 1.379 177.367 176.000 -0.019 0.000 0.967 42 Q CA 1.832 57.640 55.803 0.008 0.000 0.832 42 Q CB 0.392 29.136 28.738 0.011 0.000 0.899 42 Q HN 0.548 nan 8.270 nan 0.000 0.442 43 T N -3.759 110.777 114.554 -0.030 0.000 3.003 43 T HA 0.490 4.840 4.350 -0.000 0.000 0.261 43 T C 0.827 175.526 174.700 -0.001 0.000 1.003 43 T CA 0.266 62.358 62.100 -0.014 0.000 0.917 43 T CB 0.941 69.806 68.868 -0.005 0.000 1.084 43 T HN 0.568 nan 8.240 nan 0.000 0.522 44 G N 1.662 110.432 108.800 -0.050 0.000 2.553 44 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.242 44 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.242 44 G C -0.310 174.772 174.900 0.303 0.000 1.277 44 G CA -0.025 45.071 45.100 -0.006 0.000 0.910 44 G HN 0.426 nan 8.290 nan 0.000 0.576 45 F N 2.119 122.196 119.950 0.210 0.000 2.859 45 F HA 0.541 5.068 4.527 -0.000 0.000 0.324 45 F C 1.291 177.388 175.800 0.496 0.000 1.158 45 F CA 0.997 59.217 58.000 0.366 0.000 1.147 45 F CB 0.406 39.658 39.000 0.420 0.000 1.137 45 F HN 0.848 nan 8.300 nan 0.000 0.516 46 G N 0.091 109.088 108.800 0.329 0.000 3.414 46 G HA2 0.178 4.138 3.960 -0.000 0.000 0.196 46 G HA3 0.178 4.138 3.960 -0.000 0.000 0.196 46 G C 1.021 175.968 174.900 0.078 0.000 1.486 46 G CA -0.238 44.987 45.100 0.209 0.000 0.811 46 G HN 0.051 nan 8.290 nan 0.000 0.704 47 L N 1.124 122.369 121.223 0.037 0.000 2.261 47 L HA 0.018 4.358 4.340 -0.000 0.000 0.216 47 L C 2.666 179.547 176.870 0.018 0.000 1.114 47 L CA 1.078 55.923 54.840 0.009 0.000 0.777 47 L CB -0.357 41.703 42.059 0.001 0.000 0.910 47 L HN 0.499 nan 8.230 nan 0.000 0.440 48 G N -0.688 108.134 108.800 0.037 0.000 2.985 48 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 48 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 48 G C 1.415 176.331 174.900 0.027 0.000 1.165 48 G CA -0.233 44.884 45.100 0.028 0.000 0.776 48 G HN 0.161 nan 8.290 nan 0.000 0.541 49 L N 1.627 122.869 121.223 0.032 0.000 2.042 49 L HA 0.065 4.405 4.340 -0.000 0.000 0.210 49 L C -0.079 176.784 176.870 -0.012 0.000 1.076 49 L CA 1.844 56.685 54.840 0.002 0.000 0.749 49 L CB -0.884 41.139 42.059 -0.061 0.000 0.893 49 L HN 0.027 nan 8.230 nan 0.000 0.432 50 P HA -0.179 nan 4.420 nan 0.000 0.216 50 P C 2.089 179.384 177.300 -0.009 0.000 1.150 50 P CA 1.578 64.676 63.100 -0.003 0.000 0.837 50 P CB -0.042 31.658 31.700 -0.000 0.000 0.786 51 L N -1.661 119.556 121.223 -0.010 0.000 2.093 51 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 51 L C 2.322 179.171 176.870 -0.035 0.000 1.085 51 L CA 1.602 56.434 54.840 -0.014 0.000 0.755 51 L CB -1.605 40.449 42.059 -0.009 0.000 0.904 51 L HN 0.012 nan 8.230 nan 0.000 0.435 52 T N 0.528 115.052 114.554 -0.051 0.000 2.720 52 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 52 T C 1.973 176.554 174.700 -0.198 0.000 1.037 52 T CA 1.298 63.322 62.100 -0.127 0.000 1.144 52 T CB -0.229 68.579 68.868 -0.100 0.000 0.864 52 T HN 0.199 nan 8.240 nan 0.000 0.444 53 L N 0.225 121.380 121.223 -0.112 0.000 2.093 53 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 53 L C 2.385 179.243 176.870 -0.020 0.000 1.085 53 L CA 0.624 55.429 54.840 -0.059 0.000 0.755 53 L CB -0.560 41.505 42.059 0.011 0.000 0.904 53 L HN 0.220 nan 8.230 nan 0.000 0.435 54 I N -0.002 120.561 120.570 -0.013 0.000 2.179 54 I HA -0.244 3.925 4.170 -0.000 0.000 0.242 54 I C 2.575 178.700 176.117 0.015 0.000 1.088 54 I CA 1.696 63.003 61.300 0.012 0.000 1.357 54 I CB -1.585 36.423 38.000 0.014 0.000 1.051 54 I HN 0.218 nan 8.210 nan 0.000 0.409 55 T N 1.183 115.730 114.554 -0.012 0.000 2.867 55 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 55 T C 2.020 176.720 174.700 0.001 0.000 1.057 55 T CA 1.301 63.399 62.100 -0.004 0.000 1.136 55 T CB -0.318 68.534 68.868 -0.027 0.000 0.874 55 T HN 0.436 nan 8.240 nan 0.000 0.466 56 A N 1.125 123.927 122.820 -0.030 0.000 1.978 56 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 56 A C 2.233 179.876 177.584 0.099 0.000 1.170 56 A CA 1.200 53.274 52.037 0.061 0.000 0.636 56 A CB -0.654 18.412 19.000 0.110 0.000 0.810 56 A HN 0.494 nan 8.150 nan 0.000 0.448 57 L N -1.073 120.193 121.223 0.072 0.000 2.127 57 L HA 0.097 4.437 4.340 -0.000 0.000 0.203 57 L C 2.072 178.978 176.870 0.059 0.000 1.080 57 L CA 1.342 56.224 54.840 0.070 0.000 0.768 57 L CB -0.223 41.874 42.059 0.063 0.000 0.924 57 L HN 0.629 nan 8.230 nan 0.000 0.444 58 I N -4.128 116.481 120.570 0.065 0.000 4.147 58 I HA 0.487 4.657 4.170 -0.000 0.000 0.329 58 I C 1.060 177.234 176.117 0.094 0.000 1.424 58 I CA -0.030 61.317 61.300 0.079 0.000 1.127 58 I CB 0.054 38.130 38.000 0.127 0.000 1.128 58 I HN 0.171 nan 8.210 nan 0.000 0.417 59 G N 2.750 111.594 108.800 0.072 0.000 2.574 59 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.282 59 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.282 59 G C -0.050 174.921 174.900 0.119 0.000 1.257 59 G CA 0.815 45.958 45.100 0.072 0.000 0.956 59 G HN 1.128 nan 8.290 nan 0.000 0.560 60 S N -4.141 111.640 115.700 0.135 0.000 2.873 60 S HA 0.670 5.140 4.470 -0.000 0.000 0.303 60 S C 1.193 175.919 174.600 0.209 0.000 1.222 60 S CA 0.960 59.259 58.200 0.166 0.000 0.923 60 S CB 0.831 64.082 63.200 0.084 0.000 1.286 60 S HN 2.247 nan 8.310 nan 0.000 0.571 61 T N -1.106 113.547 114.554 0.166 0.000 3.072 61 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 61 T C 1.126 175.878 174.700 0.087 0.000 1.127 61 T CA 1.026 63.215 62.100 0.149 0.000 1.107 61 T CB -0.481 68.448 68.868 0.102 0.000 0.910 61 T HN 0.586 nan 8.240 nan 0.000 0.513 62 Q N 0.760 120.598 119.800 0.063 0.000 2.246 62 Q HA 0.273 4.613 4.340 -0.000 0.000 0.222 62 Q C 0.379 176.392 176.000 0.022 0.000 0.851 62 Q CA -0.004 55.819 55.803 0.034 0.000 0.945 62 Q CB 0.831 29.581 28.738 0.019 0.000 1.122 62 Q HN 0.663 nan 8.270 nan 0.000 0.508 63 S N -0.758 114.960 115.700 0.030 0.000 2.570 63 S HA 0.379 4.849 4.470 -0.000 0.000 0.270 63 S C -1.390 173.221 174.600 0.018 0.000 1.149 63 S CA -0.921 57.287 58.200 0.013 0.000 0.837 63 S CB 2.246 65.446 63.200 -0.000 0.000 1.124 63 S HN 0.096 nan 8.310 nan 0.000 0.465 64 Q N 0.880 120.683 119.800 0.006 0.000 2.322 64 Q HA 0.597 4.936 4.340 -0.000 0.000 0.265 64 Q C 0.362 176.370 176.000 0.013 0.000 0.985 64 Q CA -0.624 55.178 55.803 -0.002 0.000 0.849 64 Q CB 1.313 30.042 28.738 -0.016 0.000 1.274 64 Q HN 0.993 nan 8.270 nan 0.000 0.449 65 G N 1.417 110.229 108.800 0.020 0.000 2.509 65 G HA2 0.284 4.244 3.960 -0.000 0.000 0.269 65 G HA3 0.284 4.244 3.960 -0.000 0.000 0.269 65 G C 0.700 175.624 174.900 0.041 0.000 1.416 65 G CA -0.070 45.056 45.100 0.044 0.000 1.052 65 G HN 0.793 nan 8.290 nan 0.000 0.542 66 G N -1.036 107.799 108.800 0.059 0.000 2.432 66 G HA2 0.006 3.966 3.960 -0.000 0.000 0.219 66 G HA3 0.006 3.966 3.960 -0.000 0.000 0.219 66 G C 0.753 175.670 174.900 0.027 0.000 1.135 66 G CA 0.390 45.522 45.100 0.052 0.000 0.767 66 G HN 0.403 nan 8.290 nan 0.000 0.550 67 L N 2.760 123.992 121.223 0.015 0.000 2.360 67 L HA 0.400 4.740 4.340 -0.000 0.000 0.276 67 L C -1.775 175.071 176.870 -0.041 0.000 1.121 67 L CA -2.016 52.819 54.840 -0.008 0.000 0.845 67 L CB 1.051 43.106 42.059 -0.007 0.000 1.143 67 L HN -0.057 nan 8.230 nan 0.000 0.452 68 P HA 0.334 nan 4.420 nan 0.000 0.278 68 P C 0.220 177.459 177.300 -0.103 0.000 1.258 68 P CA 0.101 63.161 63.100 -0.067 0.000 0.811 68 P CB 1.273 32.946 31.700 -0.046 0.000 1.063 69 G N -0.186 108.538 108.800 -0.128 0.000 2.157 69 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.248 69 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.248 69 G C -0.163 174.583 174.900 -0.256 0.000 0.979 69 G CA -0.147 44.863 45.100 -0.149 0.000 0.650 69 G HN 0.453 nan 8.290 nan 0.000 0.529 70 L N 1.274 122.259 121.223 -0.396 0.000 2.260 70 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 70 L C -0.457 175.941 176.870 -0.787 0.000 1.057 70 L CA -1.902 52.447 54.840 -0.818 0.000 0.811 70 L CB 1.196 42.613 42.059 -1.070 0.000 1.184 70 L HN -0.067 nan 8.230 nan 0.000 0.429 71 P HA -0.143 nan 4.420 nan 0.000 0.226 71 P C 0.915 178.165 177.300 -0.084 0.000 1.153 71 P CA 1.064 64.031 63.100 -0.222 0.000 0.777 71 P CB -0.002 31.682 31.700 -0.026 0.000 0.794 72 W N -0.318 120.985 121.300 0.005 0.000 3.197 72 W HA 0.274 4.934 4.660 -0.000 0.000 0.274 72 W C 0.156 176.677 176.519 0.004 0.000 1.297 72 W CA -0.661 56.686 57.345 0.003 0.000 1.662 72 W CB -1.861 27.600 29.460 0.002 0.000 1.106 72 W HN -0.226 nan 8.180 nan 0.000 0.663 73 N N 3.478 122.043 118.700 -0.224 0.000 2.482 73 N HA 0.138 4.878 4.740 -0.000 0.000 0.260 73 N C -2.070 173.419 175.510 -0.036 0.000 1.236 73 N CA -1.414 51.580 53.050 -0.094 0.000 0.938 73 N CB 0.578 38.959 38.487 -0.177 0.000 1.128 73 N HN -0.192 nan 8.380 nan 0.000 0.448 74 P HA 0.028 nan 4.420 nan 0.000 0.276 74 P C -1.007 176.285 177.300 -0.013 0.000 1.252 74 P CA -0.214 62.887 63.100 0.001 0.000 0.802 74 P CB 0.633 32.342 31.700 0.014 0.000 1.035 75 D N 0.614 121.011 120.400 -0.005 0.000 2.455 75 D HA 0.015 4.655 4.640 -0.000 0.000 0.234 75 D C 1.289 177.596 176.300 0.012 0.000 1.224 75 D CA 0.123 54.122 54.000 -0.002 0.000 0.999 75 D CB -0.055 40.747 40.800 0.003 0.000 1.072 75 D HN 0.224 nan 8.370 nan 0.000 0.514 76 S N 2.391 118.098 115.700 0.011 0.000 2.453 76 S HA -0.102 4.368 4.470 -0.000 0.000 0.231 76 S C 1.406 176.034 174.600 0.047 0.000 1.005 76 S CA 0.466 58.680 58.200 0.023 0.000 0.949 76 S CB -0.074 63.136 63.200 0.017 0.000 0.774 76 S HN 0.500 nan 8.310 nan 0.000 0.510 77 E N 0.713 120.946 120.200 0.055 0.000 2.106 77 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 77 E C 2.268 178.937 176.600 0.114 0.000 0.984 77 E CA 0.910 57.369 56.400 0.099 0.000 0.806 77 E CB -0.187 29.562 29.700 0.082 0.000 0.750 77 E HN 0.464 nan 8.360 nan 0.000 0.458 78 Q N 0.855 120.700 119.800 0.075 0.000 2.079 78 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 78 Q C 2.140 178.180 176.000 0.066 0.000 0.974 78 Q CA 1.482 57.327 55.803 0.069 0.000 0.840 78 Q CB -0.152 28.611 28.738 0.042 0.000 0.898 78 Q HN 0.235 nan 8.270 nan 0.000 0.430 79 A N 0.734 123.587 122.820 0.054 0.000 1.908 79 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 79 A C 2.305 179.927 177.584 0.063 0.000 1.181 79 A CA 2.192 54.256 52.037 0.045 0.000 0.627 79 A CB -0.834 18.184 19.000 0.030 0.000 0.818 79 A HN 0.473 nan 8.150 nan 0.000 0.445 80 A N -0.970 121.905 122.820 0.092 0.000 1.930 80 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 80 A C 2.208 179.916 177.584 0.207 0.000 1.175 80 A CA 1.749 53.866 52.037 0.134 0.000 0.627 80 A CB -0.558 18.507 19.000 0.108 0.000 0.815 80 A HN 0.682 nan 8.150 nan 0.000 0.443 81 Q N -0.262 119.665 119.800 0.211 0.000 2.084 81 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 81 Q C 1.896 177.906 176.000 0.017 0.000 0.978 81 Q CA 1.841 57.725 55.803 0.134 0.000 0.844 81 Q CB -0.180 28.646 28.738 0.146 0.000 0.898 81 Q HN 0.775 nan 8.270 nan 0.000 0.426 82 E N 0.098 120.319 120.200 0.034 0.000 2.058 82 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 82 E C 1.938 178.539 176.600 0.001 0.000 0.997 82 E CA 1.121 57.528 56.400 0.012 0.000 0.801 82 E CB -0.180 29.531 29.700 0.018 0.000 0.746 82 E HN 0.499 nan 8.360 nan 0.000 0.450 83 A N 0.742 123.570 122.820 0.013 0.000 1.877 83 A HA -0.160 4.159 4.320 -0.000 0.000 0.216 83 A C 2.432 180.010 177.584 -0.009 0.000 1.186 83 A CA 1.367 53.409 52.037 0.009 0.000 0.620 83 A CB -0.760 18.254 19.000 0.023 0.000 0.822 83 A HN 0.217 nan 8.150 nan 0.000 0.443 84 V N 0.638 120.518 119.914 -0.057 0.000 2.453 84 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 84 V C 2.041 178.107 176.094 -0.048 0.000 1.048 84 V CA 2.344 64.573 62.300 -0.117 0.000 1.049 84 V CB -0.878 30.669 31.823 -0.461 0.000 0.672 84 V HN 0.695 nan 8.190 nan 0.000 0.457 85 N N 0.384 119.040 118.700 -0.074 0.000 2.120 85 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 85 N C 1.515 177.013 175.510 -0.019 0.000 1.024 85 N CA 1.437 54.465 53.050 -0.036 0.000 0.852 85 N CB -0.197 38.268 38.487 -0.037 0.000 1.003 85 N HN 0.455 nan 8.380 nan 0.000 0.424 86 N N 1.117 119.810 118.700 -0.013 0.000 2.223 86 N HA -0.074 4.666 4.740 -0.000 0.000 0.185 86 N C 1.306 176.813 175.510 -0.004 0.000 1.016 86 N CA 0.717 53.761 53.050 -0.009 0.000 0.863 86 N CB -0.281 38.204 38.487 -0.002 0.000 0.983 86 N HN 0.222 nan 8.380 nan 0.000 0.429 87 A N -0.426 122.411 122.820 0.029 0.000 2.235 87 A HA 0.370 4.690 4.320 -0.000 0.000 0.208 87 A C 1.469 179.049 177.584 -0.007 0.000 1.172 87 A CA 0.993 53.072 52.037 0.070 0.000 0.786 87 A CB -0.336 18.763 19.000 0.164 0.000 0.804 87 A HN 0.347 nan 8.150 nan 0.000 0.479 88 G N -3.323 105.417 108.800 -0.099 0.000 2.163 88 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.213 88 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.213 88 G C -0.317 174.312 174.900 -0.453 0.000 0.991 88 G CA -0.140 44.773 45.100 -0.311 0.000 0.653 88 G HN 0.422 nan 8.290 nan 0.000 0.518 89 W N 1.383 122.633 121.300 -0.084 0.000 2.587 89 W HA 0.679 5.339 4.660 -0.000 0.000 0.324 89 W C 0.406 176.854 176.519 -0.118 0.000 1.040 89 W CA -0.236 57.045 57.345 -0.107 0.000 1.222 89 W CB 2.057 31.415 29.460 -0.169 0.000 1.381 89 W HN 0.551 nan 8.180 nan 0.000 0.483 90 S N 0.634 116.450 115.700 0.194 0.000 2.536 90 S HA 0.655 5.125 4.470 -0.000 0.000 0.287 90 S C -0.850 173.818 174.600 0.112 0.000 1.101 90 S CA -0.994 57.266 58.200 0.101 0.000 0.950 90 S CB 1.192 64.455 63.200 0.105 0.000 1.056 90 S HN 0.230 nan 8.310 nan 0.000 0.481 91 V N 2.930 122.873 119.914 0.047 0.000 2.694 91 V HA 0.106 4.226 4.120 -0.000 0.000 0.306 91 V C 0.178 176.324 176.094 0.086 0.000 1.054 91 V CA 0.223 62.566 62.300 0.072 0.000 1.161 91 V CB -0.115 31.763 31.823 0.092 0.000 0.916 91 V HN 0.785 nan 8.190 nan 0.000 0.490 92 I N 4.560 125.173 120.570 0.071 0.000 2.336 92 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 92 I C 0.677 176.824 176.117 0.050 0.000 0.991 92 I CA -0.040 61.271 61.300 0.019 0.000 1.227 92 I CB 1.682 39.603 38.000 -0.130 0.000 1.366 92 I HN 0.779 nan 8.210 nan 0.000 0.466 93 S N 4.746 120.464 115.700 0.031 0.000 2.603 93 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 93 S C 1.244 175.904 174.600 0.099 0.000 1.317 93 S CA -0.159 58.070 58.200 0.049 0.000 1.012 93 S CB 1.701 64.920 63.200 0.032 0.000 0.926 93 S HN 0.741 nan 8.310 nan 0.000 0.539 94 A N 2.356 125.259 122.820 0.138 0.000 1.948 94 A HA -0.055 4.264 4.320 -0.000 0.000 0.220 94 A C 2.237 179.920 177.584 0.164 0.000 1.177 94 A CA 2.247 54.439 52.037 0.258 0.000 0.636 94 A CB -1.923 17.230 19.000 0.256 0.000 0.815 94 A HN 0.918 nan 8.150 nan 0.000 0.449 95 T N 0.068 114.680 114.554 0.097 0.000 2.708 95 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 95 T C 2.034 176.784 174.700 0.084 0.000 1.037 95 T CA 1.764 63.913 62.100 0.081 0.000 1.146 95 T CB -0.300 68.604 68.868 0.059 0.000 0.865 95 T HN 0.658 nan 8.240 nan 0.000 0.435 96 Q N 0.300 120.137 119.800 0.061 0.000 2.124 96 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 96 Q C 2.227 178.244 176.000 0.029 0.000 0.977 96 Q CA 1.026 56.873 55.803 0.073 0.000 0.850 96 Q CB -0.288 28.456 28.738 0.011 0.000 0.901 96 Q HN 0.473 nan 8.270 nan 0.000 0.429 97 L N -0.907 120.269 121.223 -0.077 0.000 2.492 97 L HA 0.106 4.446 4.340 -0.000 0.000 0.223 97 L C 1.098 178.029 176.870 0.103 0.000 1.132 97 L CA 0.375 55.165 54.840 -0.083 0.000 0.850 97 L CB -0.226 41.745 42.059 -0.148 0.000 0.966 97 L HN 0.400 nan 8.230 nan 0.000 0.454 98 G N 0.080 108.958 108.800 0.130 0.000 2.273 98 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.280 98 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.280 98 G C -0.106 174.898 174.900 0.174 0.000 1.047 98 G CA 0.020 45.201 45.100 0.135 0.000 0.869 98 G HN 0.339 nan 8.290 nan 0.000 0.502 99 Y N 0.219 120.561 120.300 0.071 0.000 2.336 99 Y HA 0.529 5.079 4.550 -0.000 0.000 0.335 99 Y C 1.051 177.010 175.900 0.097 0.000 1.046 99 Y CA -0.522 57.636 58.100 0.097 0.000 1.198 99 Y CB 1.286 39.843 38.460 0.163 0.000 1.182 99 Y HN 0.315 nan 8.280 nan 0.000 0.502 100 A N 4.569 127.119 122.820 -0.450 0.000 2.275 100 A HA 0.329 4.649 4.320 -0.000 0.000 0.212 100 A C 1.210 178.486 177.584 -0.515 0.000 1.201 100 A CA 0.491 52.313 52.037 -0.358 0.000 0.843 100 A CB -0.795 18.089 19.000 -0.193 0.000 0.873 100 A HN 0.897 nan 8.150 nan 0.000 0.492 101 G N -0.206 107.896 108.800 -1.163 0.000 2.508 101 G HA2 0.374 4.334 3.960 -0.000 0.000 0.278 101 G HA3 0.374 4.334 3.960 -0.000 0.000 0.278 101 G C -0.075 174.770 174.900 -0.091 0.000 1.389 101 G CA -0.588 44.158 45.100 -0.590 0.000 1.050 101 G HN 0.380 nan 8.290 nan 0.000 0.522 102 K N -0.294 120.195 120.400 0.148 0.000 2.234 102 K HA 0.469 4.789 4.320 -0.000 0.000 0.282 102 K C -0.230 176.509 176.600 0.231 0.000 1.039 102 K CA -0.281 56.073 56.287 0.112 0.000 0.928 102 K CB 0.601 33.107 32.500 0.010 0.000 1.039 102 K HN 0.612 nan 8.250 nan 0.000 0.470 103 T N 0.261 114.850 114.554 0.059 0.000 2.901 103 T HA 0.395 4.745 4.350 -0.000 0.000 0.293 103 T C -0.688 173.984 174.700 -0.047 0.000 1.084 103 T CA -1.019 61.088 62.100 0.011 0.000 1.008 103 T CB 1.472 70.225 68.868 -0.191 0.000 1.170 103 T HN 0.667 nan 8.240 nan 0.000 0.509 104 D N 0.067 120.493 120.400 0.043 0.000 2.569 104 D HA 0.582 5.222 4.640 -0.000 0.000 0.266 104 D C 1.398 177.686 176.300 -0.021 0.000 1.164 104 D CA -0.669 53.330 54.000 -0.000 0.000 1.071 104 D CB 0.487 41.349 40.800 0.103 0.000 1.183 104 D HN 0.668 nan 8.370 nan 0.000 0.613 105 A N -0.705 122.100 122.820 -0.025 0.000 2.172 105 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 105 A C 1.757 179.334 177.584 -0.013 0.000 1.154 105 A CA 0.779 52.802 52.037 -0.023 0.000 0.701 105 A CB -0.571 18.415 19.000 -0.023 0.000 0.789 105 A HN 0.489 nan 8.150 nan 0.000 0.465 106 R N -1.628 118.864 120.500 -0.013 0.000 2.334 106 R HA 0.241 4.581 4.340 -0.000 0.000 0.216 106 R C 1.182 177.506 176.300 0.039 0.000 0.905 106 R CA 0.522 56.630 56.100 0.013 0.000 1.064 106 R CB 0.154 30.428 30.300 -0.043 0.000 1.046 106 R HN 0.616 nan 8.270 nan 0.000 0.508 107 G N 1.094 109.882 108.800 -0.019 0.000 2.157 107 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.248 107 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.248 107 G C 0.246 175.038 174.900 -0.180 0.000 0.979 107 G CA 0.177 45.222 45.100 -0.091 0.000 0.650 107 G HN 0.283 nan 8.290 nan 0.000 0.529 108 T N 0.873 115.389 114.554 -0.064 0.000 2.901 108 T HA 0.475 4.825 4.350 -0.000 0.000 0.301 108 T C 0.042 174.716 174.700 -0.044 0.000 1.012 108 T CA 0.279 62.359 62.100 -0.033 0.000 1.135 108 T CB 0.759 69.600 68.868 -0.045 0.000 0.936 108 T HN 0.222 nan 8.240 nan 0.000 0.539 109 Y N 1.235 121.572 120.300 0.062 0.000 2.310 109 Y HA 0.436 4.985 4.550 -0.000 0.000 0.326 109 Y C 0.014 176.101 175.900 0.312 0.000 1.151 109 Y CA -0.700 57.524 58.100 0.206 0.000 1.195 109 Y CB 0.798 39.250 38.460 -0.012 0.000 1.210 109 Y HN 0.580 nan 8.280 nan 0.000 0.483 110 Y N 0.212 120.788 120.300 0.460 0.000 2.446 110 Y HA 0.498 5.048 4.550 -0.000 0.000 0.338 110 Y C 0.844 176.899 175.900 0.259 0.000 1.055 110 Y CA -1.402 56.910 58.100 0.354 0.000 1.101 110 Y CB 1.533 40.102 38.460 0.183 0.000 1.221 110 Y HN 0.778 nan 8.280 nan 0.000 0.460 111 G N 1.338 110.179 108.800 0.069 0.000 2.391 111 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.234 111 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.234 111 G C 0.154 174.996 174.900 -0.096 0.000 1.284 111 G CA -0.195 44.678 45.100 -0.378 0.000 0.873 111 G HN 0.914 nan 8.290 nan 0.000 0.549 112 E N 0.047 120.146 120.200 -0.167 0.000 2.216 112 E HA 0.032 4.382 4.350 -0.000 0.000 0.192 112 E C 0.785 177.375 176.600 -0.016 0.000 0.973 112 E CA 0.554 56.941 56.400 -0.021 0.000 0.851 112 E CB 0.379 30.087 29.700 0.013 0.000 0.804 112 E HN 0.429 nan 8.360 nan 0.000 0.477 113 T N 1.241 115.772 114.554 -0.039 0.000 2.867 113 T HA 0.481 4.831 4.350 -0.000 0.000 0.282 113 T C -0.163 174.623 174.700 0.142 0.000 1.000 113 T CA -0.624 61.495 62.100 0.032 0.000 1.042 113 T CB 1.504 70.349 68.868 -0.039 0.000 0.973 113 T HN 0.142 nan 8.240 nan 0.000 0.465 114 A N 1.538 124.423 122.820 0.108 0.000 2.567 114 A HA 0.474 4.794 4.320 -0.000 0.000 0.240 114 A C 1.592 179.244 177.584 0.113 0.000 1.053 114 A CA 0.529 52.620 52.037 0.090 0.000 0.755 114 A CB -0.959 18.076 19.000 0.057 0.000 0.978 114 A HN 1.638 nan 8.150 nan 0.000 0.507 115 G N 0.743 109.544 108.800 0.003 0.000 2.195 115 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 115 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 115 G C 0.239 174.854 174.900 -0.475 0.000 0.984 115 G CA 0.887 45.867 45.100 -0.200 0.000 0.633 115 G HN 1.011 nan 8.290 nan 0.000 0.525 116 Y N 0.528 120.811 120.300 -0.029 0.000 2.675 116 Y HA 0.277 4.827 4.550 -0.000 0.000 0.248 116 Y C 2.284 178.127 175.900 -0.095 0.000 1.161 116 Y CA 0.655 58.693 58.100 -0.104 0.000 1.203 116 Y CB 0.469 38.761 38.460 -0.281 0.000 1.262 116 Y HN 0.324 nan 8.280 nan 0.000 0.544 117 T N -3.771 110.831 114.554 0.080 0.000 3.160 117 T HA -0.092 4.258 4.350 -0.000 0.000 0.257 117 T C 1.532 176.331 174.700 0.164 0.000 1.147 117 T CA 1.244 63.408 62.100 0.106 0.000 1.064 117 T CB -0.424 68.500 68.868 0.093 0.000 0.949 117 T HN 0.371 nan 8.240 nan 0.000 0.526 118 T N -1.242 113.390 114.554 0.130 0.000 3.069 118 T HA 0.613 4.962 4.350 -0.000 0.000 0.252 118 T C 0.850 175.628 174.700 0.130 0.000 1.053 118 T CA -0.105 62.081 62.100 0.145 0.000 0.964 118 T CB -0.180 68.758 68.868 0.117 0.000 1.005 118 T HN 0.512 nan 8.240 nan 0.000 0.532 119 A N 1.236 124.135 122.820 0.132 0.000 2.445 119 A HA 0.599 4.919 4.320 -0.000 0.000 0.242 119 A C -0.068 177.658 177.584 0.236 0.000 1.075 119 A CA -0.265 51.897 52.037 0.209 0.000 0.777 119 A CB 0.209 19.226 19.000 0.028 0.000 1.013 119 A HN 0.530 nan 8.150 nan 0.000 0.493 120 Q N -0.590 119.388 119.800 0.297 0.000 2.372 120 Q HA 0.709 5.049 4.340 -0.000 0.000 0.273 120 Q C -0.674 175.401 176.000 0.126 0.000 1.078 120 Q CA 0.068 55.942 55.803 0.120 0.000 0.806 120 Q CB 2.356 30.999 28.738 -0.158 0.000 1.332 120 Q HN 1.129 nan 8.270 nan 0.000 0.435 121 A N 1.719 124.473 122.820 -0.109 0.000 2.498 121 A HA 0.812 5.131 4.320 -0.000 0.000 0.298 121 A C -1.301 176.150 177.584 -0.222 0.000 1.075 121 A CA -0.752 51.030 52.037 -0.425 0.000 0.714 121 A CB 1.507 19.810 19.000 -1.161 0.000 1.299 121 A HN 0.545 nan 8.150 nan 0.000 0.407 122 E N 0.686 120.720 120.200 -0.278 0.000 2.199 122 E HA 0.536 4.885 4.350 -0.000 0.000 0.269 122 E C -1.252 175.202 176.600 -0.242 0.000 0.899 122 E CA -0.626 55.717 56.400 -0.094 0.000 0.772 122 E CB 2.190 31.889 29.700 -0.003 0.000 1.155 122 E HN 0.323 nan 8.360 nan 0.000 0.408 123 V N 3.899 123.741 119.914 -0.120 0.000 2.409 123 V HA 0.429 4.549 4.120 -0.000 0.000 0.291 123 V C -0.364 175.677 176.094 -0.088 0.000 1.020 123 V CA -0.657 61.503 62.300 -0.233 0.000 0.848 123 V CB 1.002 32.589 31.823 -0.394 0.000 0.990 123 V HN 0.459 nan 8.190 nan 0.000 0.430 124 L N 3.552 124.717 121.223 -0.097 0.000 2.333 124 L HA 0.991 5.331 4.340 -0.000 0.000 0.263 124 L C 0.469 177.461 176.870 0.202 0.000 1.014 124 L CA -0.221 54.653 54.840 0.055 0.000 0.820 124 L CB 2.129 44.212 42.059 0.041 0.000 1.352 124 L HN 0.718 nan 8.230 nan 0.000 0.421 125 G N 0.041 108.989 108.800 0.246 0.000 2.519 125 G HA2 0.652 4.612 3.960 -0.000 0.000 0.307 125 G HA3 0.652 4.612 3.960 -0.000 0.000 0.307 125 G C -1.797 172.956 174.900 -0.246 0.000 1.266 125 G CA -0.532 44.572 45.100 0.007 0.000 0.970 125 G HN 0.508 nan 8.290 nan 0.000 0.481 126 K N 0.585 120.583 120.400 -0.670 0.000 2.221 126 K HA 0.628 4.948 4.320 -0.000 0.000 0.258 126 K C -1.528 174.630 176.600 -0.738 0.000 0.944 126 K CA -0.742 55.054 56.287 -0.819 0.000 0.823 126 K CB 1.279 33.041 32.500 -1.229 0.000 1.113 126 K HN 0.499 nan 8.250 nan 0.000 0.431 127 Y N 1.588 121.748 120.300 -0.232 0.000 2.485 127 Y HA 0.180 4.730 4.550 -0.000 0.000 0.345 127 Y C 0.125 175.949 175.900 -0.126 0.000 0.998 127 Y CA -0.962 57.057 58.100 -0.136 0.000 1.059 127 Y CB 1.366 39.773 38.460 -0.089 0.000 1.234 127 Y HN 0.768 nan 8.280 nan 0.000 0.461 128 D N -0.864 119.570 120.400 0.057 0.000 2.414 128 D HA 0.048 4.688 4.640 -0.000 0.000 0.251 128 D C 0.998 177.311 176.300 0.022 0.000 1.252 128 D CA -0.243 53.763 54.000 0.009 0.000 0.999 128 D CB 0.535 41.333 40.800 -0.002 0.000 1.093 128 D HN 0.457 nan 8.370 nan 0.000 0.515 129 S N -1.580 114.119 115.700 -0.001 0.000 2.547 129 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 129 S C 0.896 175.494 174.600 -0.003 0.000 0.980 129 S CA 0.534 58.730 58.200 -0.006 0.000 0.941 129 S CB -0.548 62.644 63.200 -0.013 0.000 0.763 129 S HN 0.608 nan 8.310 nan 0.000 0.532 130 E N 0.212 120.417 120.200 0.008 0.000 2.526 130 E HA 0.323 4.673 4.350 -0.000 0.000 0.208 130 E C 1.017 177.627 176.600 0.017 0.000 0.997 130 E CA 0.140 56.545 56.400 0.008 0.000 0.961 130 E CB 0.504 30.209 29.700 0.008 0.000 1.030 130 E HN 0.623 nan 8.360 nan 0.000 0.483 131 G N 1.957 110.778 108.800 0.035 0.000 2.157 131 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 131 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 131 G C -0.035 174.961 174.900 0.160 0.000 0.982 131 G CA -0.346 44.776 45.100 0.037 0.000 0.650 131 G HN 0.149 nan 8.290 nan 0.000 0.527 132 N N 0.276 119.068 118.700 0.154 0.000 2.514 132 N HA 0.401 5.141 4.740 -0.000 0.000 0.277 132 N C 0.199 175.815 175.510 0.178 0.000 1.126 132 N CA -0.369 52.778 53.050 0.162 0.000 0.978 132 N CB 1.804 40.336 38.487 0.075 0.000 1.106 132 N HN 0.330 nan 8.380 nan 0.000 0.461 133 L N 1.587 122.889 121.223 0.130 0.000 2.410 133 L HA 0.083 4.423 4.340 -0.000 0.000 0.273 133 L C 1.328 178.104 176.870 -0.158 0.000 1.144 133 L CA 0.875 55.604 54.840 -0.185 0.000 0.863 133 L CB 0.742 42.653 42.059 -0.248 0.000 1.140 133 L HN 0.584 nan 8.230 nan 0.000 0.463 134 T N 2.994 117.404 114.554 -0.240 0.000 2.959 134 T HA 0.629 4.979 4.350 -0.000 0.000 0.254 134 T C -0.005 174.614 174.700 -0.135 0.000 1.003 134 T CA 0.409 62.419 62.100 -0.150 0.000 0.950 134 T CB 0.132 68.916 68.868 -0.140 0.000 1.090 134 T HN 0.809 nan 8.240 nan 0.000 0.503 135 A N 0.420 123.131 122.820 -0.182 0.000 2.608 135 A HA 0.731 5.051 4.320 -0.000 0.000 0.292 135 A C -1.883 175.739 177.584 0.063 0.000 1.066 135 A CA -0.696 51.316 52.037 -0.041 0.000 0.676 135 A CB 1.005 20.001 19.000 -0.006 0.000 1.277 135 A HN 0.342 nan 8.150 nan 0.000 0.413 136 I N 0.757 121.440 120.570 0.189 0.000 2.509 136 I HA 0.611 4.781 4.170 -0.000 0.000 0.293 136 I C 0.513 176.691 176.117 0.102 0.000 1.020 136 I CA -0.652 60.767 61.300 0.198 0.000 1.088 136 I CB 2.512 40.581 38.000 0.115 0.000 1.267 136 I HN 0.811 nan 8.210 nan 0.000 0.430 137 G N 6.456 115.192 108.800 -0.105 0.000 2.470 137 G HA2 0.770 4.729 3.960 -0.000 0.000 0.320 137 G HA3 0.770 4.729 3.960 -0.000 0.000 0.320 137 G C -0.995 173.630 174.900 -0.459 0.000 1.245 137 G CA -0.383 44.382 45.100 -0.559 0.000 0.935 137 G HN 0.452 nan 8.290 nan 0.000 0.476 138 I N 1.529 121.799 120.570 -0.499 0.000 2.389 138 I HA 0.410 4.580 4.170 -0.000 0.000 0.288 138 I C -0.058 175.619 176.117 -0.733 0.000 0.999 138 I CA -0.600 60.326 61.300 -0.624 0.000 1.129 138 I CB 2.186 39.788 38.000 -0.664 0.000 1.288 138 I HN 0.424 nan 8.210 nan 0.000 0.444 139 S N 6.352 121.599 115.700 -0.755 0.000 2.561 139 S HA 0.668 5.138 4.470 -0.000 0.000 0.303 139 S C -0.951 173.237 174.600 -0.685 0.000 1.110 139 S CA -0.440 57.393 58.200 -0.612 0.000 1.034 139 S CB 0.585 63.563 63.200 -0.371 0.000 1.010 139 S HN 0.290 nan 8.310 nan 0.000 0.482 140 F N 3.204 123.046 119.950 -0.179 0.000 2.408 140 F HA 0.533 5.060 4.527 -0.000 0.000 0.344 140 F C 0.873 176.587 175.800 -0.143 0.000 1.112 140 F CA -0.863 57.056 58.000 -0.134 0.000 1.096 140 F CB 0.935 39.924 39.000 -0.017 0.000 1.129 140 F HN 0.485 nan 8.300 nan 0.000 0.486 141 R N 1.333 121.839 120.500 0.010 0.000 2.490 141 R HA 0.481 4.821 4.340 -0.000 0.000 0.280 141 R C 0.629 176.858 176.300 -0.118 0.000 1.077 141 R CA -0.159 55.809 56.100 -0.219 0.000 1.065 141 R CB 0.537 30.701 30.300 -0.226 0.000 1.003 141 R HN 0.905 nan 8.270 nan 0.000 0.470 142 G N 1.204 109.840 108.800 -0.274 0.000 2.516 142 G HA2 0.025 3.985 3.960 -0.000 0.000 0.276 142 G HA3 0.025 3.985 3.960 -0.000 0.000 0.276 142 G C -0.695 174.285 174.900 0.132 0.000 1.390 142 G CA -0.556 44.590 45.100 0.076 0.000 1.050 142 G HN 0.593 nan 8.290 nan 0.000 0.519 143 T N 0.676 115.385 114.554 0.258 0.000 2.867 143 T HA 0.424 4.774 4.350 -0.000 0.000 0.297 143 T C 0.380 175.231 174.700 0.251 0.000 0.989 143 T CA 1.151 63.387 62.100 0.226 0.000 1.159 143 T CB -0.060 68.950 68.868 0.237 0.000 0.928 143 T HN 1.767 nan 8.240 nan 0.000 0.538 144 S N 1.467 117.268 115.700 0.168 0.000 2.479 144 S HA 0.394 4.864 4.470 -0.000 0.000 0.348 144 S C -0.501 174.154 174.600 0.090 0.000 0.683 144 S CA -0.773 57.514 58.200 0.146 0.000 1.479 144 S CB -0.595 62.731 63.200 0.209 0.000 1.785 144 S HN 1.435 nan 8.310 nan 0.000 0.412 145 G N -0.424 108.420 108.800 0.073 0.000 2.682 145 G HA2 0.771 4.731 3.960 -0.000 0.000 0.303 145 G HA3 0.771 4.731 3.960 -0.000 0.000 0.303 145 G C -3.600 171.312 174.900 0.019 0.000 1.341 145 G CA -0.904 44.214 45.100 0.030 0.000 0.784 145 G HN 0.728 nan 8.290 nan 0.000 0.497 146 P HA 0.128 nan 4.420 nan 0.000 0.265 146 P C 0.902 178.202 177.300 0.001 0.000 1.187 146 P CA -0.012 63.068 63.100 -0.033 0.000 0.766 146 P CB 0.664 32.361 31.700 -0.004 0.000 0.820 147 R N 1.908 122.402 120.500 -0.010 0.000 2.117 147 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 147 R C 1.460 177.762 176.300 0.004 0.000 1.143 147 R CA 1.701 57.803 56.100 0.004 0.000 0.968 147 R CB -0.305 29.991 30.300 -0.007 0.000 0.863 147 R HN 0.557 nan 8.270 nan 0.000 0.444 148 E N -0.308 119.891 120.200 -0.003 0.000 2.338 148 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 148 E C 0.841 177.448 176.600 0.012 0.000 1.007 148 E CA 1.225 57.625 56.400 -0.001 0.000 0.849 148 E CB 0.322 30.017 29.700 -0.008 0.000 0.774 148 E HN 0.306 nan 8.360 nan 0.000 0.506 149 S N -0.952 114.765 115.700 0.027 0.000 2.977 149 S HA 0.182 4.652 4.470 -0.000 0.000 0.250 149 S C 1.024 175.651 174.600 0.045 0.000 1.005 149 S CA -0.505 57.718 58.200 0.038 0.000 1.081 149 S CB -0.027 63.206 63.200 0.056 0.000 1.018 149 S HN 0.069 nan 8.310 nan 0.000 0.539 150 L N 1.980 123.226 121.223 0.039 0.000 2.013 150 L HA 0.060 4.400 4.340 -0.000 0.000 0.212 150 L C 1.906 178.804 176.870 0.047 0.000 1.073 150 L CA 1.920 56.787 54.840 0.046 0.000 0.753 150 L CB -0.640 41.445 42.059 0.043 0.000 0.890 150 L HN 0.520 nan 8.230 nan 0.000 0.432 151 I N -1.014 119.579 120.570 0.037 0.000 2.163 151 I HA -0.188 3.982 4.170 -0.000 0.000 0.240 151 I C 2.477 178.614 176.117 0.034 0.000 1.081 151 I CA 1.278 62.598 61.300 0.033 0.000 1.353 151 I CB -1.128 36.886 38.000 0.025 0.000 1.054 151 I HN 0.406 nan 8.210 nan 0.000 0.407 152 G N 0.099 108.919 108.800 0.034 0.000 2.442 152 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 152 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 152 G C 1.433 176.362 174.900 0.048 0.000 1.141 152 G CA 0.966 46.087 45.100 0.036 0.000 0.763 152 G HN 0.371 nan 8.290 nan 0.000 0.554 153 D N -0.007 120.430 120.400 0.061 0.000 2.097 153 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 153 D C 2.456 178.800 176.300 0.073 0.000 0.984 153 D CA 1.491 55.538 54.000 0.078 0.000 0.826 153 D CB -0.053 40.801 40.800 0.090 0.000 0.973 153 D HN 0.221 nan 8.370 nan 0.000 0.460 154 T N 1.174 115.768 114.554 0.066 0.000 2.720 154 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 154 T C 2.173 176.905 174.700 0.053 0.000 1.037 154 T CA 0.817 62.957 62.100 0.066 0.000 1.144 154 T CB -0.167 68.735 68.868 0.058 0.000 0.864 154 T HN 0.216 nan 8.240 nan 0.000 0.444 155 I N 1.139 121.733 120.570 0.039 0.000 2.208 155 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 155 I C 2.886 179.021 176.117 0.031 0.000 1.097 155 I CA 1.361 62.676 61.300 0.026 0.000 1.363 155 I CB -0.700 37.310 38.000 0.017 0.000 1.051 155 I HN 0.317 nan 8.210 nan 0.000 0.413 156 G N 0.283 109.107 108.800 0.041 0.000 2.422 156 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 156 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 156 G C 1.252 176.189 174.900 0.060 0.000 1.146 156 G CA 0.850 45.974 45.100 0.040 0.000 0.769 156 G HN 0.281 nan 8.290 nan 0.000 0.547 157 D N 0.296 120.747 120.400 0.084 0.000 2.117 157 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 157 D C 2.751 179.105 176.300 0.090 0.000 0.987 157 D CA 0.696 54.763 54.000 0.111 0.000 0.829 157 D CB -0.468 40.403 40.800 0.118 0.000 0.961 157 D HN 0.195 nan 8.370 nan 0.000 0.460 158 V N 1.170 121.123 119.914 0.066 0.000 2.407 158 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 158 V C 2.484 178.601 176.094 0.039 0.000 1.055 158 V CA 1.008 63.339 62.300 0.052 0.000 1.049 158 V CB -0.333 31.505 31.823 0.025 0.000 0.662 158 V HN 0.195 nan 8.190 nan 0.000 0.455 159 I N 0.478 121.062 120.570 0.023 0.000 2.226 159 I HA -0.278 3.891 4.170 -0.000 0.000 0.245 159 I C 2.203 178.320 176.117 -0.001 0.000 1.100 159 I CA 2.053 63.351 61.300 -0.004 0.000 1.374 159 I CB -0.622 37.367 38.000 -0.019 0.000 1.057 159 I HN 0.414 nan 8.210 nan 0.000 0.413 160 N N 0.700 119.436 118.700 0.059 0.000 2.084 160 N HA -0.202 4.538 4.740 -0.000 0.000 0.190 160 N C 1.423 177.003 175.510 0.117 0.000 1.030 160 N CA 1.456 54.606 53.050 0.166 0.000 0.849 160 N CB -0.092 38.566 38.487 0.284 0.000 1.012 160 N HN 0.304 nan 8.380 nan 0.000 0.423 161 D N 0.951 121.395 120.400 0.073 0.000 2.104 161 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 161 D C 2.004 178.339 176.300 0.059 0.000 0.994 161 D CA 0.884 54.921 54.000 0.060 0.000 0.830 161 D CB -0.356 40.499 40.800 0.093 0.000 0.959 161 D HN 0.283 nan 8.370 nan 0.000 0.452 162 L N 0.217 121.480 121.223 0.066 0.000 2.141 162 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 162 L C 2.557 179.464 176.870 0.062 0.000 1.094 162 L CA 0.470 55.390 54.840 0.134 0.000 0.763 162 L CB -0.245 41.862 42.059 0.081 0.000 0.908 162 L HN 0.018 nan 8.230 nan 0.000 0.437 163 L N -0.609 120.516 121.223 -0.163 0.000 2.156 163 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 163 L C 2.830 179.444 176.870 -0.428 0.000 1.095 163 L CA 0.833 55.383 54.840 -0.482 0.000 0.770 163 L CB -0.575 40.809 42.059 -1.124 0.000 0.914 163 L HN 0.215 nan 8.230 nan 0.000 0.439 164 A N 0.115 122.838 122.820 -0.163 0.000 1.933 164 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 164 A C 2.334 179.873 177.584 -0.076 0.000 1.175 164 A CA 1.843 53.903 52.037 0.039 0.000 0.628 164 A CB -0.972 18.078 19.000 0.083 0.000 0.814 164 A HN 0.439 nan 8.150 nan 0.000 0.444 165 G N -2.301 106.407 108.800 -0.152 0.000 2.459 165 G HA2 0.175 4.135 3.960 -0.000 0.000 0.213 165 G HA3 0.175 4.135 3.960 -0.000 0.000 0.213 165 G C 0.945 175.492 174.900 -0.589 0.000 1.155 165 G CA 0.734 45.584 45.100 -0.417 0.000 0.811 165 G HN 0.451 nan 8.290 nan 0.000 0.534 166 F N 0.733 120.641 119.950 -0.069 0.000 2.746 166 F HA 0.402 4.929 4.527 -0.000 0.000 0.320 166 F C 1.646 177.397 175.800 -0.081 0.000 1.097 166 F CA -0.633 57.331 58.000 -0.060 0.000 1.195 166 F CB 0.681 39.649 39.000 -0.054 0.000 1.056 166 F HN 0.185 nan 8.300 nan 0.000 0.562 167 G N 0.781 109.579 108.800 -0.004 0.000 2.509 167 G HA2 0.429 4.389 3.960 -0.000 0.000 0.269 167 G HA3 0.429 4.389 3.960 -0.000 0.000 0.269 167 G C -2.225 172.673 174.900 -0.004 0.000 1.416 167 G CA -1.015 44.042 45.100 -0.072 0.000 1.052 167 G HN -0.152 nan 8.290 nan 0.000 0.542 168 P HA 0.218 nan 4.420 nan 0.000 0.272 168 P C -0.606 176.754 177.300 0.101 0.000 1.223 168 P CA -0.243 62.904 63.100 0.078 0.000 0.784 168 P CB 0.819 32.586 31.700 0.113 0.000 0.923 169 K N 0.521 120.965 120.400 0.072 0.000 2.436 169 K HA 0.310 4.629 4.320 -0.000 0.000 0.275 169 K C 1.285 177.935 176.600 0.084 0.000 0.999 169 K CA 0.960 57.285 56.287 0.064 0.000 0.980 169 K CB -0.320 32.204 32.500 0.040 0.000 0.919 169 K HN 0.831 nan 8.250 nan 0.000 0.484 170 G N 1.571 110.420 108.800 0.080 0.000 2.213 170 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.236 170 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.236 170 G C 0.630 175.584 174.900 0.090 0.000 0.991 170 G CA 0.347 45.485 45.100 0.064 0.000 0.629 170 G HN 0.719 nan 8.290 nan 0.000 0.517 171 Y N 1.509 121.832 120.300 0.039 0.000 2.114 171 Y HA 0.114 4.663 4.550 -0.000 0.000 0.284 171 Y C 3.007 178.962 175.900 0.092 0.000 1.143 171 Y CA 3.122 61.270 58.100 0.080 0.000 1.135 171 Y CB -0.481 38.028 38.460 0.082 0.000 0.980 171 Y HN 0.457 nan 8.280 nan 0.000 0.499 172 A N 0.090 123.042 122.820 0.220 0.000 1.883 172 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 172 A C 1.945 179.539 177.584 0.017 0.000 1.186 172 A CA 2.155 54.257 52.037 0.108 0.000 0.624 172 A CB -0.995 18.040 19.000 0.059 0.000 0.822 172 A HN 0.548 nan 8.150 nan 0.000 0.444 173 D N -0.572 119.825 120.400 -0.005 0.000 2.182 173 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 173 D C 1.940 178.190 176.300 -0.084 0.000 0.986 173 D CA 1.470 55.438 54.000 -0.054 0.000 0.847 173 D CB -0.510 40.261 40.800 -0.049 0.000 0.942 173 D HN 0.476 nan 8.370 nan 0.000 0.467 174 G N -0.968 107.768 108.800 -0.107 0.000 2.623 174 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 174 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 174 G C 1.440 176.196 174.900 -0.241 0.000 1.138 174 G CA 0.006 44.997 45.100 -0.181 0.000 0.794 174 G HN 0.275 nan 8.290 nan 0.000 0.535 175 Y N 2.071 122.191 120.300 -0.300 0.000 2.069 175 Y HA -0.257 4.293 4.550 -0.000 0.000 0.278 175 Y C 2.923 178.649 175.900 -0.290 0.000 1.175 175 Y CA 2.543 60.480 58.100 -0.271 0.000 1.134 175 Y CB -0.261 38.132 38.460 -0.112 0.000 0.965 175 Y HN 0.194 nan 8.280 nan 0.000 0.498 176 T N 0.784 115.266 114.554 -0.122 0.000 2.904 176 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 176 T C 1.710 176.369 174.700 -0.069 0.000 1.059 176 T CA 1.129 63.138 62.100 -0.151 0.000 1.137 176 T CB -0.467 68.317 68.868 -0.140 0.000 0.879 176 T HN 0.247 nan 8.240 nan 0.000 0.467 177 L N 1.316 122.500 121.223 -0.066 0.000 2.017 177 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 177 L C 2.170 178.920 176.870 -0.199 0.000 1.073 177 L CA 1.806 56.627 54.840 -0.031 0.000 0.745 177 L CB -0.407 41.572 42.059 -0.135 0.000 0.894 177 L HN 0.069 nan 8.230 nan 0.000 0.432 178 K N -1.006 119.118 120.400 -0.461 0.000 2.103 178 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 178 K C 2.007 178.187 176.600 -0.699 0.000 1.052 178 K CA 1.097 56.980 56.287 -0.674 0.000 0.945 178 K CB -0.220 31.561 32.500 -1.198 0.000 0.722 178 K HN 0.427 nan 8.250 nan 0.000 0.443 179 A N 0.350 122.677 122.820 -0.822 0.000 1.898 179 A HA -0.022 4.297 4.320 -0.000 0.000 0.214 179 A C 1.048 178.081 177.584 -0.918 0.000 1.183 179 A CA 1.126 52.602 52.037 -0.936 0.000 0.622 179 A CB -0.021 18.236 19.000 -1.238 0.000 0.824 179 A HN 0.248 nan 8.150 nan 0.000 0.444 180 F N -1.340 118.552 119.950 -0.097 0.000 2.837 180 F HA 0.308 4.835 4.527 -0.000 0.000 0.328 180 F C 1.858 177.707 175.800 0.083 0.000 1.173 180 F CA -0.499 57.505 58.000 0.007 0.000 1.160 180 F CB -0.178 38.836 39.000 0.024 0.000 1.115 180 F HN 0.179 nan 8.300 nan 0.000 0.512 181 G N 0.844 109.794 108.800 0.251 0.000 2.476 181 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 181 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 181 G C 1.478 176.639 174.900 0.434 0.000 1.164 181 G CA 1.603 46.956 45.100 0.421 0.000 0.768 181 G HN 0.380 nan 8.290 nan 0.000 0.560 182 N N -0.116 118.757 118.700 0.289 0.000 2.106 182 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 182 N C 2.028 177.711 175.510 0.288 0.000 1.029 182 N CA 0.913 54.137 53.050 0.290 0.000 0.848 182 N CB -0.207 38.443 38.487 0.272 0.000 1.007 182 N HN 0.243 nan 8.380 nan 0.000 0.423 183 L N 1.282 122.651 121.223 0.245 0.000 2.012 183 L HA -0.114 4.225 4.340 -0.000 0.000 0.210 183 L C 1.706 178.478 176.870 -0.163 0.000 1.073 183 L CA 1.541 56.305 54.840 -0.128 0.000 0.748 183 L CB -0.515 41.304 42.059 -0.399 0.000 0.891 183 L HN 0.227 nan 8.230 nan 0.000 0.431 184 L N -0.790 120.354 121.223 -0.132 0.000 2.131 184 L HA -0.111 4.228 4.340 -0.000 0.000 0.210 184 L C 2.482 179.255 176.870 -0.162 0.000 1.092 184 L CA 1.057 55.684 54.840 -0.356 0.000 0.759 184 L CB -1.250 40.267 42.059 -0.903 0.000 0.903 184 L HN 0.487 nan 8.230 nan 0.000 0.435 185 G N -0.473 108.382 108.800 0.092 0.000 2.402 185 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 185 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 185 G C 1.130 176.077 174.900 0.078 0.000 1.162 185 G CA 0.677 45.908 45.100 0.219 0.000 0.777 185 G HN 0.278 nan 8.290 nan 0.000 0.539 186 D N 0.290 120.731 120.400 0.069 0.000 2.117 186 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 186 D C 2.782 179.083 176.300 0.002 0.000 0.982 186 D CA 0.568 54.602 54.000 0.055 0.000 0.828 186 D CB -0.425 40.437 40.800 0.104 0.000 0.967 186 D HN 0.187 nan 8.370 nan 0.000 0.464 187 V N 1.496 121.365 119.914 -0.074 0.000 2.343 187 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 187 V C 2.537 178.598 176.094 -0.054 0.000 1.051 187 V CA 1.771 64.036 62.300 -0.059 0.000 1.036 187 V CB -0.834 30.915 31.823 -0.122 0.000 0.654 187 V HN 0.181 nan 8.190 nan 0.000 0.451 188 A N -0.303 122.384 122.820 -0.221 0.000 1.908 188 A HA -0.258 4.061 4.320 -0.000 0.000 0.218 188 A C 2.316 179.522 177.584 -0.629 0.000 1.181 188 A CA 2.103 53.648 52.037 -0.820 0.000 0.627 188 A CB -0.431 18.045 19.000 -0.874 0.000 0.818 188 A HN 0.545 nan 8.150 nan 0.000 0.445 189 K N -1.756 118.496 120.400 -0.246 0.000 2.097 189 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 189 K C 1.757 178.350 176.600 -0.012 0.000 1.050 189 K CA 1.357 57.574 56.287 -0.115 0.000 0.938 189 K CB -0.284 32.207 32.500 -0.015 0.000 0.718 189 K HN 0.526 nan 8.250 nan 0.000 0.442 190 F N 1.645 121.545 119.950 -0.084 0.000 2.134 190 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 190 F C 2.105 177.935 175.800 0.049 0.000 1.097 190 F CA 1.398 59.408 58.000 0.017 0.000 1.264 190 F CB -0.294 38.699 39.000 -0.012 0.000 1.001 190 F HN -0.039 nan 8.300 nan 0.000 0.479 191 A N 0.128 122.945 122.820 -0.005 0.000 1.877 191 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 191 A C 2.163 179.720 177.584 -0.045 0.000 1.186 191 A CA 1.890 53.898 52.037 -0.048 0.000 0.620 191 A CB -0.942 18.096 19.000 0.063 0.000 0.822 191 A HN 0.609 nan 8.150 nan 0.000 0.443 192 Q N -0.807 118.928 119.800 -0.108 0.000 2.084 192 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 192 Q C 2.384 178.354 176.000 -0.050 0.000 0.978 192 Q CA 1.317 57.099 55.803 -0.036 0.000 0.844 192 Q CB -0.395 28.297 28.738 -0.076 0.000 0.898 192 Q HN 0.690 nan 8.270 nan 0.000 0.426 193 A N 0.369 123.138 122.820 -0.086 0.000 2.024 193 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 193 A C 0.966 178.389 177.584 -0.268 0.000 1.164 193 A CA 1.503 53.453 52.037 -0.146 0.000 0.643 193 A CB -0.433 18.485 19.000 -0.136 0.000 0.806 193 A HN 0.368 nan 8.150 nan 0.000 0.451 194 H N -1.903 117.015 119.070 -0.253 0.000 2.520 194 H HA 0.389 4.945 4.556 -0.000 0.000 0.284 194 H C 1.393 176.646 175.328 -0.125 0.000 1.037 194 H CA 0.377 56.290 56.048 -0.225 0.000 1.168 194 H CB 0.283 29.831 29.762 -0.357 0.000 1.497 194 H HN 0.545 nan 8.280 nan 0.000 0.547 195 G N 0.584 109.378 108.800 -0.010 0.000 2.143 195 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.248 195 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.248 195 G C -0.008 174.908 174.900 0.028 0.000 0.991 195 G CA 0.137 45.239 45.100 0.003 0.000 0.689 195 G HN 0.285 nan 8.290 nan 0.000 0.522 196 L N 0.849 122.105 121.223 0.054 0.000 2.360 196 L HA 0.738 5.078 4.340 -0.000 0.000 0.271 196 L C 1.004 177.961 176.870 0.146 0.000 1.057 196 L CA -0.202 54.683 54.840 0.076 0.000 0.803 196 L CB 1.670 43.775 42.059 0.078 0.000 1.207 196 L HN 0.405 nan 8.230 nan 0.000 0.445 197 S N -0.334 115.389 115.700 0.037 0.000 2.759 197 S HA 0.463 4.933 4.470 -0.000 0.000 0.310 197 S C 0.927 175.275 174.600 -0.420 0.000 1.123 197 S CA -0.147 57.961 58.200 -0.153 0.000 0.959 197 S CB 1.410 64.522 63.200 -0.148 0.000 1.172 197 S HN 0.750 nan 8.310 nan 0.000 0.539 198 G N 0.163 108.402 108.800 -0.936 0.000 2.475 198 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.220 198 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.220 198 G C 0.938 175.681 174.900 -0.263 0.000 1.125 198 G CA 0.838 45.480 45.100 -0.763 0.000 0.755 198 G HN 0.854 nan 8.290 nan 0.000 0.565 199 E N 0.470 120.561 120.200 -0.181 0.000 2.409 199 E HA -0.047 4.303 4.350 -0.000 0.000 0.198 199 E C 0.934 177.513 176.600 -0.036 0.000 1.024 199 E CA 0.558 56.917 56.400 -0.067 0.000 0.861 199 E CB 0.107 29.784 29.700 -0.039 0.000 0.788 199 E HN 0.361 nan 8.360 nan 0.000 0.521 200 D N 0.426 120.801 120.400 -0.041 0.000 2.325 200 D HA 0.029 4.669 4.640 -0.000 0.000 0.225 200 D C -0.375 175.945 176.300 0.033 0.000 1.096 200 D CA 0.268 54.270 54.000 0.003 0.000 0.844 200 D CB 0.713 41.518 40.800 0.008 0.000 0.925 200 D HN -0.063 nan 8.370 nan 0.000 0.513 201 V N 1.327 121.245 119.914 0.007 0.000 2.448 201 V HA 0.249 4.369 4.120 -0.000 0.000 0.295 201 V C 0.033 176.068 176.094 -0.099 0.000 1.025 201 V CA -0.951 61.352 62.300 0.004 0.000 0.859 201 V CB 2.550 34.426 31.823 0.088 0.000 0.988 201 V HN -0.174 nan 8.190 nan 0.000 0.431 202 V N 6.837 126.671 119.914 -0.133 0.000 2.427 202 V HA 0.686 4.806 4.120 -0.000 0.000 0.286 202 V C -0.539 175.354 176.094 -0.335 0.000 1.034 202 V CA -0.084 62.072 62.300 -0.241 0.000 0.893 202 V CB 1.898 33.598 31.823 -0.205 0.000 0.982 202 V HN 0.640 nan 8.190 nan 0.000 0.452 203 V N 6.338 126.039 119.914 -0.357 0.000 2.444 203 V HA 0.733 4.853 4.120 -0.000 0.000 0.294 203 V C 0.029 176.015 176.094 -0.179 0.000 1.022 203 V CA -0.004 62.112 62.300 -0.308 0.000 0.850 203 V CB 1.412 33.063 31.823 -0.286 0.000 0.992 203 V HN 1.020 nan 8.190 nan 0.000 0.426 204 S N 2.413 118.008 115.700 -0.175 0.000 2.776 204 S HA 1.004 5.474 4.470 -0.000 0.000 0.292 204 S C -0.415 174.204 174.600 0.032 0.000 1.187 204 S CA 0.142 58.311 58.200 -0.053 0.000 0.834 204 S CB 2.110 65.270 63.200 -0.066 0.000 1.199 204 S HN 1.690 nan 8.310 nan 0.000 0.514 205 G N 0.321 109.209 108.800 0.147 0.000 2.350 205 G HA2 0.372 4.331 3.960 -0.000 0.000 0.305 205 G HA3 0.372 4.331 3.960 -0.000 0.000 0.305 205 G C -1.965 173.092 174.900 0.261 0.000 1.479 205 G CA -0.680 44.521 45.100 0.168 0.000 0.949 205 G HN 1.024 nan 8.290 nan 0.000 0.651 206 H N 0.050 119.176 119.070 0.093 0.000 2.600 206 H HA 0.757 5.313 4.556 -0.000 0.000 0.357 206 H C 0.765 176.142 175.328 0.081 0.000 1.106 206 H CA 1.137 57.227 56.048 0.069 0.000 1.193 206 H CB 1.942 31.708 29.762 0.007 0.000 1.594 206 H HN 1.766 nan 8.280 nan 0.000 0.526 207 S N 2.432 117.931 115.700 -0.336 0.000 4.118 207 S HA -0.316 4.154 4.470 -0.000 0.000 0.624 207 S C 1.216 175.824 174.600 0.013 0.000 1.929 207 S CA 1.221 59.373 58.200 -0.080 0.000 4.219 207 S CB -1.449 61.858 63.200 0.179 0.000 0.206 207 S HN 0.818 nan 8.310 nan 0.000 0.525 208 L N 2.950 124.209 121.223 0.060 0.000 2.127 208 L HA 0.155 4.494 4.340 -0.000 0.000 0.211 208 L C 2.356 179.187 176.870 -0.066 0.000 1.089 208 L CA 3.068 57.880 54.840 -0.048 0.000 0.757 208 L CB -1.328 40.714 42.059 -0.028 0.000 0.899 208 L HN 0.708 nan 8.230 nan 0.000 0.434 209 G N -1.285 107.542 108.800 0.046 0.000 2.422 209 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 209 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 209 G C 1.495 176.464 174.900 0.115 0.000 1.140 209 G CA 0.489 45.662 45.100 0.121 0.000 0.775 209 G HN 0.578 nan 8.290 nan 0.000 0.545 210 G N 0.819 109.658 108.800 0.065 0.000 2.408 210 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 210 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 210 G C 1.736 176.642 174.900 0.009 0.000 1.150 210 G CA 0.738 45.870 45.100 0.054 0.000 0.776 210 G HN 0.435 nan 8.290 nan 0.000 0.542 211 L N 0.710 121.905 121.223 -0.047 0.000 2.042 211 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 211 L C 3.096 179.894 176.870 -0.120 0.000 1.076 211 L CA 1.884 56.666 54.840 -0.097 0.000 0.749 211 L CB -0.250 41.710 42.059 -0.165 0.000 0.893 211 L HN 0.260 nan 8.230 nan 0.000 0.432 212 A N -0.888 121.834 122.820 -0.164 0.000 1.972 212 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 212 A C 2.182 179.610 177.584 -0.261 0.000 1.169 212 A CA 1.727 53.605 52.037 -0.265 0.000 0.635 212 A CB -0.861 17.855 19.000 -0.474 0.000 0.810 212 A HN 0.360 nan 8.150 nan 0.000 0.446 213 V N 0.988 120.898 119.914 -0.006 0.000 2.295 213 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 213 V C 2.293 178.419 176.094 0.054 0.000 1.049 213 V CA 2.094 64.496 62.300 0.170 0.000 1.024 213 V CB -0.868 31.081 31.823 0.210 0.000 0.648 213 V HN 0.595 nan 8.190 nan 0.000 0.447 214 N N -0.089 118.609 118.700 -0.003 0.000 2.166 214 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 214 N C 2.168 177.597 175.510 -0.134 0.000 1.019 214 N CA 1.728 54.755 53.050 -0.039 0.000 0.856 214 N CB -0.205 38.286 38.487 0.006 0.000 0.993 214 N HN 0.474 nan 8.380 nan 0.000 0.426 215 S N 1.344 116.975 115.700 -0.115 0.000 2.359 215 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 215 S C 2.005 176.522 174.600 -0.138 0.000 1.035 215 S CA 0.947 59.071 58.200 -0.127 0.000 1.018 215 S CB -0.144 63.020 63.200 -0.060 0.000 0.876 215 S HN 0.260 nan 8.310 nan 0.000 0.448 216 M N 0.853 120.402 119.600 -0.085 0.000 2.108 216 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 216 M C 2.181 178.435 176.300 -0.077 0.000 1.066 216 M CA 1.775 57.100 55.300 0.043 0.000 1.107 216 M CB -0.545 32.135 32.600 0.134 0.000 1.356 216 M HN 0.486 nan 8.290 nan 0.000 0.406 217 A N 0.257 122.805 122.820 -0.453 0.000 1.908 217 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 217 A C 2.275 179.432 177.584 -0.712 0.000 1.181 217 A CA 1.983 53.525 52.037 -0.824 0.000 0.627 217 A CB -1.243 17.195 19.000 -0.937 0.000 0.818 217 A HN 0.666 nan 8.150 nan 0.000 0.445 218 A N -1.525 120.708 122.820 -0.977 0.000 2.070 218 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 218 A C 1.945 179.209 177.584 -0.533 0.000 1.159 218 A CA 1.558 52.813 52.037 -1.303 0.000 0.656 218 A CB -0.247 18.232 19.000 -0.870 0.000 0.800 218 A HN 0.517 nan 8.150 nan 0.000 0.453 219 Q N -0.464 119.179 119.800 -0.261 0.000 2.319 219 Q HA 0.025 4.365 4.340 -0.000 0.000 0.209 219 Q C 1.944 177.946 176.000 0.003 0.000 0.884 219 Q CA 0.967 56.692 55.803 -0.131 0.000 0.938 219 Q CB 0.037 28.706 28.738 -0.115 0.000 1.098 219 Q HN 0.807 nan 8.270 nan 0.000 0.517 220 S N 0.075 115.852 115.700 0.129 0.000 2.489 220 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 220 S C 1.186 175.939 174.600 0.254 0.000 0.995 220 S CA 0.626 59.044 58.200 0.365 0.000 0.934 220 S CB 0.120 63.568 63.200 0.413 0.000 0.771 220 S HN 0.100 nan 8.310 nan 0.000 0.522 221 D N 2.133 122.608 120.400 0.124 0.000 2.149 221 D HA 0.169 4.809 4.640 -0.000 0.000 0.201 221 D C 2.051 178.392 176.300 0.067 0.000 0.972 221 D CA 1.383 55.445 54.000 0.103 0.000 0.835 221 D CB -0.238 40.610 40.800 0.080 0.000 0.966 221 D HN 0.585 nan 8.370 nan 0.000 0.476 222 A N 0.201 123.027 122.820 0.010 0.000 2.014 222 A HA 0.046 4.365 4.320 -0.000 0.000 0.210 222 A C 1.176 178.703 177.584 -0.095 0.000 1.188 222 A CA 0.155 52.168 52.037 -0.041 0.000 0.731 222 A CB 0.197 19.151 19.000 -0.076 0.000 0.858 222 A HN 0.071 nan 8.150 nan 0.000 0.464 223 N N -1.212 117.374 118.700 -0.189 0.000 2.482 223 N HA 0.202 4.941 4.740 -0.000 0.000 0.279 223 N C -0.466 174.992 175.510 -0.086 0.000 1.182 223 N CA -0.312 52.466 53.050 -0.453 0.000 0.969 223 N CB 0.360 38.095 38.487 -1.254 0.000 1.201 223 N HN 0.451 nan 8.380 nan 0.000 0.523 224 W N -0.281 121.100 121.300 0.135 0.000 4.849 224 W HA -0.205 4.455 4.660 -0.000 0.000 0.358 224 W C 1.059 177.663 176.519 0.141 0.000 1.331 224 W CA 0.607 58.052 57.345 0.168 0.000 0.844 224 W CB -2.256 27.403 29.460 0.331 0.000 2.434 224 W HN 0.977 nan 8.180 nan 0.000 1.458 225 G N -1.173 107.755 108.800 0.213 0.000 2.166 225 G HA2 0.026 3.985 3.960 -0.000 0.000 0.260 225 G HA3 0.026 3.985 3.960 -0.000 0.000 0.260 225 G C 1.294 176.307 174.900 0.188 0.000 0.986 225 G CA 1.493 46.693 45.100 0.166 0.000 0.683 225 G HN 1.808 nan 8.290 nan 0.000 0.527 226 G N -1.429 107.514 108.800 0.238 0.000 2.148 226 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 226 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 226 G C 0.991 176.028 174.900 0.227 0.000 0.981 226 G CA 1.085 46.318 45.100 0.222 0.000 0.670 226 G HN 1.555 nan 8.290 nan 0.000 0.528 227 F N 0.484 120.492 119.950 0.096 0.000 2.154 227 F HA -0.030 4.497 4.527 -0.000 0.000 0.301 227 F C 2.053 177.778 175.800 -0.125 0.000 1.087 227 F CA 2.181 60.122 58.000 -0.098 0.000 1.274 227 F CB -0.030 38.783 39.000 -0.312 0.000 1.009 227 F HN 0.276 nan 8.300 nan 0.000 0.485 228 Y N -0.409 120.035 120.300 0.240 0.000 2.493 228 Y HA 0.397 4.947 4.550 -0.000 0.000 0.275 228 Y C 1.997 178.022 175.900 0.208 0.000 1.183 228 Y CA 0.084 58.271 58.100 0.146 0.000 1.258 228 Y CB -0.974 37.637 38.460 0.251 0.000 1.108 228 Y HN 0.133 nan 8.280 nan 0.000 0.521 229 A N 0.032 123.016 122.820 0.273 0.000 1.940 229 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 229 A C 1.825 179.553 177.584 0.240 0.000 1.176 229 A CA 1.552 53.739 52.037 0.249 0.000 0.631 229 A CB -0.172 18.922 19.000 0.156 0.000 0.814 229 A HN 0.289 nan 8.150 nan 0.000 0.446 230 Q N 0.286 120.168 119.800 0.136 0.000 2.189 230 Q HA 0.274 4.614 4.340 -0.000 0.000 0.221 230 Q C -0.071 175.987 176.000 0.096 0.000 0.848 230 Q CA -0.064 55.806 55.803 0.112 0.000 1.007 230 Q CB 0.206 28.960 28.738 0.027 0.000 1.116 230 Q HN 0.504 nan 8.270 nan 0.000 0.481 231 S N 1.888 117.651 115.700 0.106 0.000 2.608 231 S HA 0.208 4.678 4.470 -0.000 0.000 0.261 231 S C 0.482 174.995 174.600 -0.145 0.000 1.314 231 S CA -0.367 57.778 58.200 -0.092 0.000 0.992 231 S CB 0.464 63.543 63.200 -0.202 0.000 0.935 231 S HN 0.274 nan 8.310 nan 0.000 0.564 232 N N 1.730 120.281 118.700 -0.248 0.000 2.462 232 N HA 0.192 4.932 4.740 -0.000 0.000 0.242 232 N C -1.616 173.656 175.510 -0.397 0.000 1.010 232 N CA 0.044 52.975 53.050 -0.197 0.000 0.939 232 N CB 0.523 38.880 38.487 -0.217 0.000 1.127 232 N HN 0.474 nan 8.380 nan 0.000 0.509 233 Y N 0.748 121.030 120.300 -0.029 0.000 2.385 233 Y HA 0.283 4.832 4.550 -0.000 0.000 0.341 233 Y C 0.293 176.111 175.900 -0.135 0.000 0.965 233 Y CA -0.761 57.321 58.100 -0.031 0.000 1.180 233 Y CB 1.040 39.561 38.460 0.101 0.000 1.139 233 Y HN 0.136 nan 8.280 nan 0.000 0.502 234 V N 3.744 123.590 119.914 -0.113 0.000 2.349 234 V HA 0.694 4.813 4.120 -0.000 0.000 0.284 234 V C -0.102 175.797 176.094 -0.325 0.000 1.014 234 V CA -0.911 61.231 62.300 -0.264 0.000 0.826 234 V CB 0.991 32.593 31.823 -0.370 0.000 1.009 234 V HN 0.821 nan 8.190 nan 0.000 0.431 235 A N 5.218 127.866 122.820 -0.287 0.000 2.304 235 A HA 0.906 5.226 4.320 -0.000 0.000 0.323 235 A C -0.965 176.392 177.584 -0.378 0.000 1.195 235 A CA -0.330 51.586 52.037 -0.201 0.000 0.826 235 A CB 0.579 19.573 19.000 -0.010 0.000 1.184 235 A HN 0.617 nan 8.150 nan 0.000 0.496 236 F N 1.561 121.512 119.950 0.001 0.000 2.436 236 F HA 0.525 5.052 4.527 -0.000 0.000 0.340 236 F C 1.147 176.834 175.800 -0.188 0.000 1.113 236 F CA 0.462 58.434 58.000 -0.047 0.000 1.022 236 F CB 1.937 40.917 39.000 -0.032 0.000 1.128 236 F HN 0.987 nan 8.300 nan 0.000 0.466 237 A N 1.963 124.778 122.820 -0.007 0.000 2.799 237 A HA -0.238 4.082 4.320 -0.000 0.000 0.287 237 A C 0.691 178.353 177.584 0.130 0.000 1.484 237 A CA 0.788 52.809 52.037 -0.026 0.000 0.813 237 A CB -2.019 16.628 19.000 -0.590 0.000 1.009 237 A HN 0.694 nan 8.150 nan 0.000 0.545 238 S N 0.049 115.884 115.700 0.225 0.000 2.549 238 S HA 0.471 4.941 4.470 -0.000 0.000 0.279 238 S C -0.241 174.404 174.600 0.074 0.000 1.321 238 S CA -0.728 57.535 58.200 0.106 0.000 1.054 238 S CB 0.758 64.001 63.200 0.072 0.000 0.899 238 S HN 0.407 nan 8.310 nan 0.000 0.497 239 P HA 0.050 nan 4.420 nan 0.000 0.225 239 P C 0.468 177.676 177.300 -0.152 0.000 1.156 239 P CA 0.605 63.639 63.100 -0.111 0.000 0.787 239 P CB -0.249 31.379 31.700 -0.121 0.000 0.802 240 T N -2.541 111.944 114.554 -0.115 0.000 2.950 240 T HA 0.641 4.991 4.350 -0.000 0.000 0.288 240 T C -0.672 173.948 174.700 -0.132 0.000 1.035 240 T CA -0.667 61.356 62.100 -0.129 0.000 1.028 240 T CB 1.728 70.549 68.868 -0.079 0.000 1.109 240 T HN -0.171 nan 8.240 nan 0.000 0.514 241 Q N 0.524 120.228 119.800 -0.158 0.000 2.323 241 Q HA 0.476 4.816 4.340 -0.000 0.000 0.271 241 Q C -1.888 174.094 176.000 -0.030 0.000 1.048 241 Q CA -0.700 55.026 55.803 -0.129 0.000 0.792 241 Q CB 1.999 30.569 28.738 -0.280 0.000 1.280 241 Q HN 0.779 nan 8.270 nan 0.000 0.441 242 Y N 1.683 121.923 120.300 -0.100 0.000 2.342 242 Y HA 0.356 4.905 4.550 -0.000 0.000 0.338 242 Y C 0.064 175.925 175.900 -0.066 0.000 0.965 242 Y CA -0.073 57.976 58.100 -0.085 0.000 1.159 242 Y CB 0.968 39.369 38.460 -0.099 0.000 1.157 242 Y HN 0.771 nan 8.280 nan 0.000 0.486 243 E N 3.657 123.511 120.200 -0.577 0.000 2.514 243 E HA 0.291 4.641 4.350 -0.000 0.000 0.215 243 E C 0.067 176.363 176.600 -0.507 0.000 0.946 243 E CA -0.177 55.974 56.400 -0.415 0.000 1.038 243 E CB 0.706 30.287 29.700 -0.199 0.000 1.069 243 E HN 0.645 nan 8.360 nan 0.000 0.503 244 A N 0.950 123.287 122.820 -0.805 0.000 2.491 244 A HA 0.417 4.737 4.320 -0.000 0.000 0.261 244 A C 1.277 178.637 177.584 -0.374 0.000 1.101 244 A CA 0.899 52.639 52.037 -0.494 0.000 0.772 244 A CB -0.420 18.366 19.000 -0.357 0.000 1.043 244 A HN 0.343 nan 8.150 nan 0.000 0.501 245 G N 1.662 110.365 108.800 -0.161 0.000 2.176 245 G HA2 0.137 4.097 3.960 -0.000 0.000 0.253 245 G HA3 0.137 4.097 3.960 -0.000 0.000 0.253 245 G C 1.567 176.436 174.900 -0.051 0.000 0.979 245 G CA 0.723 45.789 45.100 -0.056 0.000 0.641 245 G HN 2.740 nan 8.290 nan 0.000 0.530 246 G N -0.110 108.628 108.800 -0.102 0.000 2.366 246 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.299 246 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.299 246 G C 0.851 175.742 174.900 -0.015 0.000 1.020 246 G CA 1.498 46.556 45.100 -0.070 0.000 1.026 246 G HN 0.918 nan 8.290 nan 0.000 0.512 247 K N -1.461 118.975 120.400 0.061 0.000 2.314 247 K HA 0.244 4.564 4.320 -0.000 0.000 0.198 247 K C 0.833 177.649 176.600 0.361 0.000 1.045 247 K CA 0.726 57.140 56.287 0.211 0.000 0.988 247 K CB 0.797 33.417 32.500 0.200 0.000 0.783 247 K HN 0.347 nan 8.250 nan 0.000 0.484 248 V N 2.102 122.166 119.914 0.251 0.000 2.540 248 V HA 0.329 4.449 4.120 -0.000 0.000 0.302 248 V C -0.538 175.715 176.094 0.266 0.000 1.035 248 V CA -0.983 61.493 62.300 0.294 0.000 0.873 248 V CB 2.139 34.062 31.823 0.166 0.000 0.992 248 V HN 0.102 nan 8.190 nan 0.000 0.428 249 I N 4.110 124.864 120.570 0.307 0.000 2.336 249 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 249 I C -0.268 175.912 176.117 0.105 0.000 0.991 249 I CA -0.205 61.228 61.300 0.222 0.000 1.227 249 I CB 0.755 38.932 38.000 0.295 0.000 1.366 249 I HN 0.600 nan 8.210 nan 0.000 0.466 250 N N 8.831 127.615 118.700 0.140 0.000 2.546 250 N HA 0.419 5.159 4.740 -0.000 0.000 0.238 250 N C -0.946 174.731 175.510 0.277 0.000 0.984 250 N CA -0.207 52.952 53.050 0.180 0.000 0.935 250 N CB 1.444 40.060 38.487 0.214 0.000 1.122 250 N HN 0.496 nan 8.380 nan 0.000 0.510 251 I N 1.108 121.713 120.570 0.059 0.000 2.377 251 I HA 0.618 4.788 4.170 -0.000 0.000 0.293 251 I C 0.899 176.835 176.117 -0.302 0.000 0.987 251 I CA -0.452 60.844 61.300 -0.007 0.000 1.185 251 I CB 1.875 39.848 38.000 -0.044 0.000 1.341 251 I HN 0.382 nan 8.210 nan 0.000 0.455 252 G N 4.002 112.360 108.800 -0.738 0.000 2.451 252 G HA2 0.413 4.373 3.960 -0.000 0.000 0.292 252 G HA3 0.413 4.373 3.960 -0.000 0.000 0.292 252 G C -2.080 172.287 174.900 -0.887 0.000 1.427 252 G CA -0.605 43.756 45.100 -1.232 0.000 0.792 252 G HN 0.211 nan 8.290 nan 0.000 0.498 253 Y N 1.179 121.227 120.300 -0.420 0.000 2.313 253 Y HA 0.302 4.852 4.550 -0.000 0.000 0.332 253 Y C 1.964 177.959 175.900 0.159 0.000 1.071 253 Y CA -0.247 57.770 58.100 -0.137 0.000 1.169 253 Y CB 1.750 40.085 38.460 -0.208 0.000 1.192 253 Y HN 0.842 nan 8.280 nan 0.000 0.487 254 E N 0.898 121.308 120.200 0.350 0.000 2.204 254 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 254 E C 0.593 177.320 176.600 0.212 0.000 0.990 254 E CA 1.541 58.137 56.400 0.327 0.000 0.821 254 E CB -0.129 29.712 29.700 0.235 0.000 0.750 254 E HN 0.712 nan 8.360 nan 0.000 0.477 255 N N 1.144 119.943 118.700 0.165 0.000 2.322 255 N HA -0.063 4.676 4.740 -0.000 0.000 0.194 255 N C -0.400 175.314 175.510 0.339 0.000 1.126 255 N CA 0.124 53.276 53.050 0.169 0.000 0.845 255 N CB 0.088 38.656 38.487 0.134 0.000 0.976 255 N HN 0.057 nan 8.380 nan 0.000 0.475 256 D N 2.348 122.942 120.400 0.323 0.000 2.339 256 D HA 0.154 4.794 4.640 -0.000 0.000 0.241 256 D C -1.482 174.964 176.300 0.243 0.000 1.183 256 D CA -2.155 52.002 54.000 0.263 0.000 0.859 256 D CB 1.706 42.751 40.800 0.408 0.000 1.067 256 D HN 0.047 nan 8.370 nan 0.000 0.484 257 P HA -0.098 nan 4.420 nan 0.000 0.226 257 P C 1.311 178.579 177.300 -0.053 0.000 1.153 257 P CA 0.288 63.330 63.100 -0.095 0.000 0.777 257 P CB 0.527 31.872 31.700 -0.592 0.000 0.794 258 V N -0.764 118.937 119.914 -0.356 0.000 2.591 258 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 258 V C 1.366 177.449 176.094 -0.018 0.000 1.053 258 V CA 0.434 62.508 62.300 -0.377 0.000 1.068 258 V CB -1.201 30.094 31.823 -0.880 0.000 0.689 258 V HN -0.015 nan 8.190 nan 0.000 0.462 259 F N 2.460 122.418 119.950 0.013 0.000 2.533 259 F HA 0.319 4.846 4.527 -0.000 0.000 0.378 259 F C 1.272 177.157 175.800 0.142 0.000 1.070 259 F CA -0.698 57.363 58.000 0.102 0.000 1.172 259 F CB -0.659 38.464 39.000 0.205 0.000 1.085 259 F HN 0.171 nan 8.300 nan 0.000 0.552 260 R N 2.392 122.670 120.500 -0.370 0.000 3.878 260 R HA -0.246 4.094 4.340 -0.000 0.000 0.330 260 R C 1.219 177.269 176.300 -0.417 0.000 1.186 260 R CA 0.562 56.428 56.100 -0.389 0.000 0.885 260 R CB -2.174 27.893 30.300 -0.388 0.000 1.377 260 R HN 0.682 nan 8.270 nan 0.000 0.523 261 A N 0.596 123.096 122.820 -0.533 0.000 1.978 261 A HA -0.021 4.299 4.320 -0.000 0.000 0.220 261 A C 1.093 178.382 177.584 -0.490 0.000 1.170 261 A CA 1.018 52.536 52.037 -0.865 0.000 0.636 261 A CB 0.030 18.757 19.000 -0.456 0.000 0.810 261 A HN 0.280 nan 8.150 nan 0.000 0.448 262 L N -0.473 120.566 121.223 -0.308 0.000 2.344 262 L HA 0.349 4.688 4.340 -0.000 0.000 0.272 262 L C -0.583 176.195 176.870 -0.154 0.000 1.035 262 L CA -0.818 53.898 54.840 -0.207 0.000 0.807 262 L CB 1.236 43.189 42.059 -0.175 0.000 1.237 262 L HN 0.048 nan 8.230 nan 0.000 0.442 263 D N 1.333 121.685 120.400 -0.081 0.000 2.456 263 D HA 0.404 5.044 4.640 -0.000 0.000 0.219 263 D C 0.687 176.964 176.300 -0.038 0.000 1.126 263 D CA 0.904 54.910 54.000 0.010 0.000 0.890 263 D CB 0.755 41.584 40.800 0.048 0.000 1.025 263 D HN 0.714 nan 8.370 nan 0.000 0.511 264 G N 3.610 112.330 108.800 -0.133 0.000 2.950 264 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.299 264 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.299 264 G C 0.859 175.703 174.900 -0.093 0.000 1.310 264 G CA 0.894 45.929 45.100 -0.109 0.000 0.994 264 G HN 0.807 nan 8.290 nan 0.000 0.575 265 T N -2.116 112.406 114.554 -0.053 0.000 3.111 265 T HA 0.621 4.971 4.350 -0.000 0.000 0.284 265 T C 0.560 175.224 174.700 -0.060 0.000 0.983 265 T CA 1.102 63.172 62.100 -0.051 0.000 0.900 265 T CB 0.564 69.424 68.868 -0.013 0.000 1.132 265 T HN 0.850 nan 8.240 nan 0.000 0.531 266 S N 2.067 117.731 115.700 -0.060 0.000 2.537 266 S HA 0.587 5.057 4.470 -0.000 0.000 0.275 266 S C -0.301 174.241 174.600 -0.096 0.000 1.272 266 S CA -0.740 57.423 58.200 -0.062 0.000 1.050 266 S CB 1.124 64.303 63.200 -0.034 0.000 0.961 266 S HN 0.462 nan 8.310 nan 0.000 0.496 267 L N 4.616 125.765 121.223 -0.123 0.000 2.360 267 L HA 0.409 4.748 4.340 -0.000 0.000 0.276 267 L C 0.486 177.306 176.870 -0.084 0.000 1.121 267 L CA 0.650 55.395 54.840 -0.159 0.000 0.845 267 L CB 0.172 42.081 42.059 -0.249 0.000 1.143 267 L HN 0.846 nan 8.230 nan 0.000 0.452 268 T N 1.415 115.931 114.554 -0.063 0.000 2.888 268 T HA 0.320 4.670 4.350 -0.000 0.000 0.288 268 T C 0.730 175.435 174.700 0.008 0.000 1.063 268 T CA -0.776 61.314 62.100 -0.017 0.000 1.010 268 T CB 0.829 69.695 68.868 -0.004 0.000 1.214 268 T HN 0.437 nan 8.240 nan 0.000 0.533 269 L N 1.345 122.586 121.223 0.029 0.000 2.012 269 L HA 0.165 4.504 4.340 -0.000 0.000 0.210 269 L C -0.852 176.063 176.870 0.075 0.000 1.073 269 L CA 1.743 56.613 54.840 0.051 0.000 0.748 269 L CB -1.791 40.297 42.059 0.048 0.000 0.891 269 L HN 0.579 nan 8.230 nan 0.000 0.431 270 P HA -0.094 nan 4.420 nan 0.000 0.221 270 P C 1.767 179.196 177.300 0.214 0.000 1.145 270 P CA 1.188 64.372 63.100 0.141 0.000 0.795 270 P CB -0.069 31.711 31.700 0.132 0.000 0.775 271 S N -0.515 115.243 115.700 0.096 0.000 2.402 271 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 271 S C 1.471 176.154 174.600 0.138 0.000 1.030 271 S CA 1.039 59.253 58.200 0.024 0.000 1.003 271 S CB -0.762 62.385 63.200 -0.087 0.000 0.813 271 S HN 0.233 nan 8.310 nan 0.000 0.477 272 L N 0.210 121.521 121.223 0.148 0.000 2.628 272 L HA 0.315 4.655 4.340 -0.000 0.000 0.229 272 L C 1.241 178.211 176.870 0.166 0.000 1.137 272 L CA -0.168 54.765 54.840 0.155 0.000 0.909 272 L CB -0.057 42.085 42.059 0.138 0.000 1.137 272 L HN 0.310 nan 8.230 nan 0.000 0.470 273 G N -0.578 108.349 108.800 0.213 0.000 3.253 273 G HA2 0.414 4.374 3.960 -0.000 0.000 0.175 273 G HA3 0.414 4.374 3.960 -0.000 0.000 0.175 273 G C -0.846 174.207 174.900 0.255 0.000 1.098 273 G CA -0.265 44.961 45.100 0.209 0.000 0.790 273 G HN -0.256 nan 8.290 nan 0.000 0.648 274 V N 2.433 122.459 119.914 0.187 0.000 2.488 274 V HA 0.333 4.453 4.120 -0.000 0.000 0.277 274 V C -0.438 175.650 176.094 -0.011 0.000 1.046 274 V CA -0.287 62.025 62.300 0.019 0.000 0.986 274 V CB 0.691 32.476 31.823 -0.063 0.000 0.989 274 V HN 0.732 nan 8.190 nan 0.000 0.475 275 H N 1.965 121.096 119.070 0.102 0.000 2.448 275 H HA 0.399 4.955 4.556 -0.000 0.000 0.237 275 H C -0.647 174.688 175.328 0.011 0.000 1.391 275 H CA -0.561 55.515 56.048 0.046 0.000 1.477 275 H CB 0.821 30.613 29.762 0.051 0.000 1.520 275 H HN 0.602 nan 8.280 nan 0.000 0.502 276 D N 2.237 122.654 120.400 0.029 0.000 2.462 276 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 276 D C 0.691 176.982 176.300 -0.015 0.000 1.173 276 D CA -0.298 53.708 54.000 0.010 0.000 0.831 276 D CB 0.341 41.128 40.800 -0.023 0.000 1.001 276 D HN 0.680 nan 8.370 nan 0.000 0.499 277 A N 1.711 124.503 122.820 -0.047 0.000 2.520 277 A HA 0.353 4.672 4.320 -0.000 0.000 0.245 277 A C -2.086 175.371 177.584 -0.212 0.000 1.072 277 A CA -0.786 51.178 52.037 -0.122 0.000 0.761 277 A CB -0.066 18.843 19.000 -0.153 0.000 1.004 277 A HN 0.210 nan 8.150 nan 0.000 0.499 278 P HA 0.189 nan 4.420 nan 0.000 0.275 278 P C -0.749 176.403 177.300 -0.248 0.000 1.227 278 P CA 0.207 63.233 63.100 -0.123 0.000 0.781 278 P CB 0.608 32.288 31.700 -0.035 0.000 0.906 279 H N 0.914 119.975 119.070 -0.015 0.000 2.499 279 H HA 0.144 4.700 4.556 -0.000 0.000 0.340 279 H C 1.471 176.797 175.328 -0.003 0.000 1.148 279 H CA -0.066 55.967 56.048 -0.025 0.000 1.215 279 H CB 1.813 31.540 29.762 -0.058 0.000 1.529 279 H HN 0.415 nan 8.280 nan 0.000 0.510 280 T N -0.976 113.654 114.554 0.128 0.000 2.833 280 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 280 T C 1.816 176.559 174.700 0.071 0.000 1.054 280 T CA 1.453 63.594 62.100 0.067 0.000 1.135 280 T CB -0.186 68.700 68.868 0.030 0.000 0.869 280 T HN 0.490 nan 8.240 nan 0.000 0.466 281 S N 0.903 116.649 115.700 0.077 0.000 2.593 281 S HA 0.584 5.054 4.470 -0.000 0.000 0.217 281 S C 0.750 175.429 174.600 0.131 0.000 0.966 281 S CA -0.286 57.961 58.200 0.079 0.000 0.914 281 S CB -0.328 62.897 63.200 0.042 0.000 0.776 281 S HN 0.842 nan 8.310 nan 0.000 0.523 282 A N 1.994 124.910 122.820 0.159 0.000 2.320 282 A HA 0.653 4.973 4.320 -0.000 0.000 0.334 282 A C 0.305 178.036 177.584 0.246 0.000 1.147 282 A CA -0.547 51.633 52.037 0.239 0.000 0.820 282 A CB 0.748 19.876 19.000 0.212 0.000 1.218 282 A HN 0.469 nan 8.150 nan 0.000 0.482 283 T N 0.379 115.124 114.554 0.318 0.000 2.776 283 T HA 0.185 4.535 4.350 -0.000 0.000 0.292 283 T C 0.250 175.135 174.700 0.309 0.000 0.921 283 T CA -0.573 61.676 62.100 0.248 0.000 1.038 283 T CB -0.093 68.911 68.868 0.226 0.000 0.910 283 T HN 0.539 nan 8.240 nan 0.000 0.536 284 N N 3.101 121.932 118.700 0.219 0.000 2.412 284 N HA 0.009 4.749 4.740 -0.000 0.000 0.184 284 N C 0.128 175.764 175.510 0.211 0.000 1.101 284 N CA 0.087 53.272 53.050 0.224 0.000 0.881 284 N CB 0.260 38.830 38.487 0.138 0.000 0.969 284 N HN 0.605 nan 8.380 nan 0.000 0.459 285 N N 0.612 119.406 118.700 0.157 0.000 2.536 285 N HA 0.242 4.982 4.740 -0.000 0.000 0.286 285 N C -0.650 174.881 175.510 0.035 0.000 1.577 285 N CA -0.050 53.058 53.050 0.097 0.000 0.883 285 N CB 1.386 39.892 38.487 0.031 0.000 1.390 285 N HN 0.114 nan 8.380 nan 0.000 0.491 286 I N 1.067 121.697 120.570 0.100 0.000 2.331 286 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 286 I C 0.088 176.312 176.117 0.178 0.000 0.998 286 I CA -0.859 60.503 61.300 0.104 0.000 1.267 286 I CB 1.593 39.636 38.000 0.073 0.000 1.386 286 I HN -0.334 nan 8.210 nan 0.000 0.476 287 V N 5.597 125.566 119.914 0.092 0.000 2.427 287 V HA 0.194 4.314 4.120 -0.000 0.000 0.286 287 V C 0.302 176.258 176.094 -0.231 0.000 1.034 287 V CA -0.684 61.562 62.300 -0.089 0.000 0.893 287 V CB 1.607 33.310 31.823 -0.200 0.000 0.982 287 V HN 0.666 nan 8.190 nan 0.000 0.452 288 N N 4.119 122.451 118.700 -0.614 0.000 2.482 288 N HA 0.098 4.838 4.740 -0.000 0.000 0.242 288 N C -0.730 174.384 175.510 -0.659 0.000 1.100 288 N CA -0.271 52.164 53.050 -1.024 0.000 0.946 288 N CB 0.092 37.628 38.487 -1.586 0.000 1.227 288 N HN 0.574 nan 8.380 nan 0.000 0.508 289 F N 4.418 124.078 119.950 -0.482 0.000 2.619 289 F HA 0.193 4.720 4.527 -0.001 0.000 0.350 289 F C 0.224 175.949 175.800 -0.126 0.000 1.259 289 F CA -0.689 57.155 58.000 -0.260 0.000 1.204 289 F CB -0.291 38.659 39.000 -0.084 0.000 1.556 289 F HN 0.471 nan 8.300 nan 0.000 0.650 290 N N 0.926 119.453 118.700 -0.288 0.000 2.741 290 N HA 0.245 4.985 4.740 -0.000 0.000 0.310 290 N C 0.372 175.864 175.510 -0.029 0.000 1.295 290 N CA -0.718 52.248 53.050 -0.140 0.000 0.893 290 N CB 0.289 38.472 38.487 -0.508 0.000 1.247 290 N HN 0.077 nan 8.380 nan 0.000 0.596 291 D N -1.701 118.809 120.400 0.183 0.000 2.178 291 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 291 D C 1.300 177.714 176.300 0.189 0.000 0.980 291 D CA 1.192 55.331 54.000 0.231 0.000 0.842 291 D CB -0.334 40.700 40.800 0.390 0.000 0.948 291 D HN 0.613 nan 8.370 nan 0.000 0.472 292 H N -0.663 118.374 119.070 -0.056 0.000 2.299 292 H HA -0.162 4.394 4.556 -0.000 0.000 0.302 292 H C 1.957 177.284 175.328 -0.003 0.000 1.078 292 H CA 1.231 57.224 56.048 -0.093 0.000 1.323 292 H CB -0.392 29.150 29.762 -0.366 0.000 1.381 292 H HN 0.199 nan 8.280 nan 0.000 0.498 293 Y N 1.164 121.406 120.300 -0.098 0.000 2.207 293 Y HA -0.174 4.376 4.550 -0.000 0.000 0.287 293 Y C 2.675 178.378 175.900 -0.328 0.000 1.156 293 Y CA 1.909 59.887 58.100 -0.203 0.000 1.182 293 Y CB -0.523 37.726 38.460 -0.352 0.000 0.979 293 Y HN 0.295 nan 8.280 nan 0.000 0.521 294 A N -0.991 121.633 122.820 -0.327 0.000 2.067 294 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 294 A C 1.476 179.017 177.584 -0.072 0.000 1.158 294 A CA 0.951 52.823 52.037 -0.274 0.000 0.661 294 A CB -0.747 18.175 19.000 -0.130 0.000 0.801 294 A HN 0.313 nan 8.150 nan 0.000 0.452 295 S N 0.190 115.875 115.700 -0.025 0.000 2.411 295 S HA 0.256 4.726 4.470 -0.000 0.000 0.294 295 S C 0.291 174.892 174.600 0.002 0.000 1.115 295 S CA -0.621 57.618 58.200 0.064 0.000 1.071 295 S CB 0.257 63.616 63.200 0.264 0.000 0.967 295 S HN 0.340 nan 8.310 nan 0.000 0.488 296 D N 4.666 125.063 120.400 -0.005 0.000 2.149 296 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 296 D C 2.110 178.405 176.300 -0.009 0.000 0.990 296 D CA 1.681 55.671 54.000 -0.017 0.000 0.839 296 D CB -0.373 40.422 40.800 -0.008 0.000 0.948 296 D HN 0.685 nan 8.370 nan 0.000 0.460 297 A N -0.054 122.751 122.820 -0.025 0.000 1.877 297 A HA -0.157 4.162 4.320 -0.000 0.000 0.216 297 A C 2.216 179.760 177.584 -0.067 0.000 1.186 297 A CA 1.168 53.156 52.037 -0.081 0.000 0.620 297 A CB -1.272 17.630 19.000 -0.163 0.000 0.822 297 A HN 0.329 nan 8.150 nan 0.000 0.443 298 W N 0.438 121.703 121.300 -0.058 0.000 2.374 298 W HA -0.097 4.563 4.660 -0.001 0.000 0.288 298 W C 1.624 178.091 176.519 -0.087 0.000 1.218 298 W CA 0.994 58.292 57.345 -0.078 0.000 1.245 298 W CB -0.037 29.281 29.460 -0.238 0.000 1.126 298 W HN 0.330 nan 8.180 nan 0.000 0.545 299 N N 0.399 119.166 118.700 0.111 0.000 2.370 299 N HA 0.044 4.784 4.740 -0.000 0.000 0.198 299 N C 1.287 176.853 175.510 0.093 0.000 1.156 299 N CA 0.484 53.589 53.050 0.091 0.000 0.839 299 N CB -0.103 38.383 38.487 -0.003 0.000 0.989 299 N HN 0.272 nan 8.380 nan 0.000 0.468 300 L N 0.286 121.558 121.223 0.082 0.000 2.275 300 L HA 0.028 4.367 4.340 -0.000 0.000 0.215 300 L C 0.723 177.652 176.870 0.098 0.000 1.119 300 L CA 0.615 55.494 54.840 0.065 0.000 0.790 300 L CB -0.116 41.961 42.059 0.029 0.000 0.919 300 L HN 0.064 nan 8.230 nan 0.000 0.443 301 L N 0.444 121.760 121.223 0.155 0.000 2.371 301 L HA 0.253 4.592 4.340 -0.000 0.000 0.272 301 L C -2.038 174.946 176.870 0.190 0.000 1.124 301 L CA -2.065 52.882 54.840 0.179 0.000 0.816 301 L CB 0.000 42.210 42.059 0.251 0.000 1.129 301 L HN -0.219 nan 8.230 nan 0.000 0.448 302 P HA -0.027 nan 4.420 nan 0.000 0.268 302 P C -0.664 176.768 177.300 0.220 0.000 1.204 302 P CA -0.146 63.059 63.100 0.175 0.000 0.768 302 P CB 0.262 32.043 31.700 0.134 0.000 0.842 303 F N 3.176 123.186 119.950 0.100 0.000 2.543 303 F HA 0.348 4.874 4.527 -0.000 0.000 0.375 303 F C 0.495 176.339 175.800 0.073 0.000 1.075 303 F CA 1.144 59.200 58.000 0.093 0.000 1.225 303 F CB 0.305 39.340 39.000 0.058 0.000 1.099 303 F HN 0.246 nan 8.300 nan 0.000 0.561 304 S N 5.886 121.355 115.700 -0.384 0.000 2.558 304 S HA 0.229 4.699 4.470 -0.000 0.000 0.277 304 S C 0.297 174.767 174.600 -0.218 0.000 1.143 304 S CA -0.853 57.240 58.200 -0.179 0.000 0.865 304 S CB 0.867 64.080 63.200 0.022 0.000 1.102 304 S HN 0.842 nan 8.310 nan 0.000 0.454 305 I N 3.546 124.079 120.570 -0.062 0.000 2.700 305 I HA -0.024 4.146 4.170 -0.000 0.000 0.261 305 I C 1.083 177.394 176.117 0.323 0.000 1.219 305 I CA 1.192 62.548 61.300 0.093 0.000 1.463 305 I CB -0.025 38.036 38.000 0.102 0.000 1.092 305 I HN 0.711 nan 8.210 nan 0.000 0.452 306 L N 0.144 121.471 121.223 0.173 0.000 2.554 306 L HA 0.025 4.364 4.340 -0.000 0.000 0.226 306 L C 0.716 177.652 176.870 0.111 0.000 1.137 306 L CA 0.021 54.947 54.840 0.143 0.000 0.863 306 L CB -0.619 41.504 42.059 0.107 0.000 0.985 306 L HN 0.218 nan 8.230 nan 0.000 0.451 307 N N 1.113 119.880 118.700 0.112 0.000 2.558 307 N HA 0.084 4.823 4.740 -0.000 0.000 0.233 307 N C 1.008 176.602 175.510 0.140 0.000 1.038 307 N CA -0.161 52.951 53.050 0.103 0.000 0.934 307 N CB 0.641 39.174 38.487 0.076 0.000 1.175 307 N HN -0.063 nan 8.380 nan 0.000 0.512 308 I N 4.403 125.023 120.570 0.084 0.000 2.208 308 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 308 I C -0.674 175.512 176.117 0.115 0.000 1.097 308 I CA 0.824 62.131 61.300 0.012 0.000 1.363 308 I CB -2.126 35.822 38.000 -0.085 0.000 1.051 308 I HN 0.436 nan 8.210 nan 0.000 0.413 309 P HA -0.167 nan 4.420 nan 0.000 0.217 309 P C 1.720 178.917 177.300 -0.172 0.000 1.148 309 P CA 2.095 65.219 63.100 0.039 0.000 0.834 309 P CB -0.346 31.290 31.700 -0.107 0.000 0.783 310 T N -5.899 108.529 114.554 -0.210 0.000 3.007 310 T HA -0.153 4.197 4.350 -0.000 0.000 0.270 310 T C 1.355 175.892 174.700 -0.272 0.000 1.107 310 T CA 0.455 62.260 62.100 -0.491 0.000 1.118 310 T CB -1.159 67.426 68.868 -0.472 0.000 0.889 310 T HN 0.066 nan 8.240 nan 0.000 0.506 311 W N 0.710 121.855 121.300 -0.259 0.000 2.611 311 W HA 0.313 4.973 4.660 -0.000 0.000 0.251 311 W C 1.890 178.319 176.519 -0.151 0.000 1.265 311 W CA -0.568 56.690 57.345 -0.145 0.000 1.295 311 W CB -0.761 28.652 29.460 -0.078 0.000 1.129 311 W HN 0.252 nan 8.180 nan 0.000 0.630 312 L N 0.504 121.669 121.223 -0.097 0.000 2.051 312 L HA -0.304 4.036 4.340 -0.000 0.000 0.214 312 L C 2.149 178.876 176.870 -0.238 0.000 1.076 312 L CA 2.239 56.914 54.840 -0.274 0.000 0.758 312 L CB -0.997 40.625 42.059 -0.728 0.000 0.890 312 L HN -0.223 nan 8.230 nan 0.000 0.433 313 S N -2.089 113.433 115.700 -0.296 0.000 2.555 313 S HA -0.156 4.314 4.470 -0.000 0.000 0.230 313 S C 1.640 176.256 174.600 0.026 0.000 0.978 313 S CA 0.930 58.929 58.200 -0.336 0.000 0.934 313 S CB -0.594 62.442 63.200 -0.273 0.000 0.766 313 S HN 0.689 nan 8.310 nan 0.000 0.533 314 H N 0.764 119.835 119.070 0.002 0.000 2.562 314 H HA 0.345 4.901 4.556 -0.000 0.000 0.267 314 H C 0.298 175.721 175.328 0.158 0.000 0.959 314 H CA -0.087 56.038 56.048 0.128 0.000 1.204 314 H CB -0.108 29.609 29.762 -0.076 0.000 1.430 314 H HN 0.228 nan 8.280 nan 0.000 0.545 315 L N 2.025 123.232 121.223 -0.026 0.000 2.490 315 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 315 L C -1.147 175.440 176.870 -0.472 0.000 1.201 315 L CA -1.236 53.389 54.840 -0.359 0.000 0.869 315 L CB 0.700 42.397 42.059 -0.602 0.000 1.123 315 L HN 0.185 nan 8.230 nan 0.000 0.484 316 P HA -0.220 nan 4.420 nan 0.000 0.218 316 P C 1.348 178.439 177.300 -0.348 0.000 1.148 316 P CA 1.334 63.968 63.100 -0.776 0.000 0.822 316 P CB 0.020 31.104 31.700 -1.027 0.000 0.784 317 F N -2.681 117.083 119.950 -0.309 0.000 2.293 317 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 317 F C 1.731 177.467 175.800 -0.107 0.000 1.086 317 F CA 0.871 58.738 58.000 -0.222 0.000 1.375 317 F CB -1.734 37.114 39.000 -0.253 0.000 1.045 317 F HN -0.229 nan 8.300 nan 0.000 0.516 318 F N -0.181 119.393 119.950 -0.626 0.000 2.186 318 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 318 F C 2.150 177.972 175.800 0.036 0.000 1.090 318 F CA 0.852 58.671 58.000 -0.302 0.000 1.307 318 F CB -1.273 37.450 39.000 -0.461 0.000 1.019 318 F HN -0.046 nan 8.300 nan 0.000 0.489 319 Y N -0.091 120.261 120.300 0.087 0.000 2.133 319 Y HA -0.229 4.321 4.550 -0.000 0.000 0.287 319 Y C 2.740 178.592 175.900 -0.080 0.000 1.134 319 Y CA 1.757 59.853 58.100 -0.007 0.000 1.133 319 Y CB -0.898 37.455 38.460 -0.178 0.000 0.987 319 Y HN -0.023 nan 8.280 nan 0.000 0.502 320 Q N 0.805 120.619 119.800 0.023 0.000 2.002 320 Q HA -0.254 4.085 4.340 -0.000 0.000 0.204 320 Q C 1.739 177.777 176.000 0.064 0.000 0.988 320 Q CA 2.349 58.135 55.803 -0.028 0.000 0.843 320 Q CB -0.578 28.138 28.738 -0.037 0.000 0.908 320 Q HN 0.578 nan 8.270 nan 0.000 0.420 321 D N -1.425 119.053 120.400 0.130 0.000 2.103 321 D HA -0.072 4.567 4.640 -0.000 0.000 0.199 321 D C 1.817 178.233 176.300 0.193 0.000 0.978 321 D CA 1.613 55.712 54.000 0.165 0.000 0.829 321 D CB -0.453 40.478 40.800 0.219 0.000 0.981 321 D HN 0.390 nan 8.370 nan 0.000 0.464 322 G N 0.294 109.238 108.800 0.241 0.000 2.404 322 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 322 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 322 G C 1.651 176.693 174.900 0.237 0.000 1.174 322 G CA 0.478 45.737 45.100 0.266 0.000 0.780 322 G HN 0.306 nan 8.290 nan 0.000 0.537 323 L N 0.090 121.433 121.223 0.201 0.000 2.217 323 L HA 0.033 4.373 4.340 -0.000 0.000 0.211 323 L C 2.938 180.002 176.870 0.324 0.000 1.107 323 L CA 0.289 55.282 54.840 0.254 0.000 0.783 323 L CB -0.309 41.893 42.059 0.237 0.000 0.919 323 L HN 0.141 nan 8.230 nan 0.000 0.442 324 M N -0.404 119.344 119.600 0.245 0.000 2.229 324 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 324 M C 2.292 178.694 176.300 0.171 0.000 1.063 324 M CA 1.558 56.989 55.300 0.218 0.000 1.114 324 M CB -0.977 31.706 32.600 0.139 0.000 1.387 324 M HN 0.191 nan 8.290 nan 0.000 0.420 325 R N -0.617 119.983 120.500 0.167 0.000 2.115 325 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 325 R C 2.230 178.620 176.300 0.150 0.000 1.111 325 R CA 0.965 57.153 56.100 0.146 0.000 0.976 325 R CB -0.335 30.056 30.300 0.153 0.000 0.870 325 R HN 0.199 nan 8.270 nan 0.000 0.445 326 V N 1.336 121.359 119.914 0.183 0.000 2.261 326 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 326 V C 2.206 178.392 176.094 0.154 0.000 1.047 326 V CA 1.594 63.991 62.300 0.162 0.000 1.015 326 V CB -0.462 31.469 31.823 0.179 0.000 0.642 326 V HN 0.247 nan 8.190 nan 0.000 0.446 327 L N 0.757 122.075 121.223 0.159 0.000 2.042 327 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 327 L C 1.832 178.603 176.870 -0.166 0.000 1.076 327 L CA 2.217 57.008 54.840 -0.081 0.000 0.749 327 L CB -0.778 41.304 42.059 0.039 0.000 0.893 327 L HN 0.397 nan 8.230 nan 0.000 0.432 328 N N -1.337 117.357 118.700 -0.010 0.000 2.383 328 N HA 0.005 4.745 4.740 -0.000 0.000 0.192 328 N C 0.239 175.758 175.510 0.014 0.000 1.141 328 N CA 0.058 53.102 53.050 -0.011 0.000 0.851 328 N CB 0.118 38.620 38.487 0.024 0.000 0.976 328 N HN 0.238 nan 8.380 nan 0.000 0.465 329 S N 0.823 116.557 115.700 0.056 0.000 2.560 329 S HA -0.066 4.404 4.470 -0.000 0.000 0.284 329 S C 1.322 175.926 174.600 0.006 0.000 1.327 329 S CA -0.296 57.945 58.200 0.067 0.000 1.055 329 S CB 0.980 64.267 63.200 0.146 0.000 0.868 329 S HN 0.328 nan 8.310 nan 0.000 0.506 330 E N 2.651 122.769 120.200 -0.137 0.000 2.267 330 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 330 E C 0.236 176.662 176.600 -0.289 0.000 0.998 330 E CA 1.278 57.508 56.400 -0.283 0.000 0.830 330 E CB -0.064 29.336 29.700 -0.501 0.000 0.751 330 E HN 0.833 nan 8.360 nan 0.000 0.491 331 F N -0.936 119.073 119.950 0.099 0.000 2.693 331 F HA 0.127 4.654 4.527 -0.000 0.000 0.303 331 F C 1.295 177.049 175.800 -0.076 0.000 1.097 331 F CA -0.358 57.678 58.000 0.060 0.000 1.330 331 F CB -0.414 38.694 39.000 0.181 0.000 1.067 331 F HN 0.070 nan 8.300 nan 0.000 0.565 332 Y N 1.707 121.984 120.300 -0.037 0.000 2.151 332 Y HA -0.342 4.208 4.550 -0.000 0.000 0.284 332 Y C 2.610 178.404 175.900 -0.176 0.000 1.166 332 Y CA 1.963 59.962 58.100 -0.169 0.000 1.163 332 Y CB -0.402 37.980 38.460 -0.130 0.000 0.974 332 Y HN 0.119 nan 8.280 nan 0.000 0.511 333 S N -0.727 114.975 115.700 0.003 0.000 2.547 333 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 333 S C 1.538 176.062 174.600 -0.127 0.000 0.980 333 S CA 1.107 59.290 58.200 -0.028 0.000 0.941 333 S CB -0.739 62.523 63.200 0.102 0.000 0.763 333 S HN 0.538 nan 8.310 nan 0.000 0.532 334 L N 1.790 122.870 121.223 -0.239 0.000 2.585 334 L HA 0.175 4.514 4.340 -0.000 0.000 0.226 334 L C 1.235 177.640 176.870 -0.775 0.000 1.113 334 L CA 0.251 54.832 54.840 -0.431 0.000 0.876 334 L CB -0.384 41.534 42.059 -0.235 0.000 1.072 334 L HN 0.439 nan 8.230 nan 0.000 0.468 335 T N -3.118 110.964 114.554 -0.786 0.000 2.899 335 T HA 0.363 4.713 4.350 -0.000 0.000 0.284 335 T C -0.337 174.042 174.700 -0.537 0.000 1.004 335 T CA -0.781 60.804 62.100 -0.859 0.000 1.043 335 T CB 1.973 70.170 68.868 -1.118 0.000 1.013 335 T HN -0.102 nan 8.240 nan 0.000 0.518 336 D N 0.086 120.273 120.400 -0.355 0.000 2.477 336 D HA 0.268 4.907 4.640 -0.000 0.000 0.234 336 D C 0.960 177.152 176.300 -0.180 0.000 1.048 336 D CA -0.870 53.031 54.000 -0.165 0.000 0.959 336 D CB 2.353 43.154 40.800 0.002 0.000 1.408 336 D HN 0.689 nan 8.370 nan 0.000 0.496 337 K N 0.084 120.428 120.400 -0.095 0.000 2.077 337 K HA -0.201 4.119 4.320 -0.000 0.000 0.213 337 K C 0.252 176.839 176.600 -0.022 0.000 1.051 337 K CA 1.668 57.930 56.287 -0.042 0.000 0.929 337 K CB 0.151 32.666 32.500 0.025 0.000 0.715 337 K HN 0.284 nan 8.250 nan 0.000 0.451 338 D N 0.536 120.933 120.400 -0.005 0.000 2.388 338 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 338 D C -0.500 175.809 176.300 0.015 0.000 1.133 338 D CA 0.074 54.089 54.000 0.025 0.000 0.831 338 D CB 0.605 41.434 40.800 0.049 0.000 0.962 338 D HN 0.044 nan 8.370 nan 0.000 0.502 339 S N 0.525 116.206 115.700 -0.032 0.000 2.558 339 S HA 0.044 4.513 4.470 -0.000 0.000 0.288 339 S C 0.617 175.226 174.600 0.014 0.000 1.318 339 S CA 0.195 58.400 58.200 0.009 0.000 1.056 339 S CB 0.745 63.873 63.200 -0.120 0.000 0.853 339 S HN 0.101 nan 8.310 nan 0.000 0.505 340 T N 4.541 119.130 114.554 0.059 0.000 2.752 340 T HA 0.336 4.685 4.350 -0.000 0.000 0.295 340 T C 0.082 174.824 174.700 0.069 0.000 0.923 340 T CA 0.102 62.164 62.100 -0.062 0.000 1.112 340 T CB -0.454 68.318 68.868 -0.161 0.000 0.884 340 T HN 0.380 nan 8.240 nan 0.000 0.525 341 I N 4.795 125.373 120.570 0.013 0.000 2.447 341 I HA 0.360 4.530 4.170 -0.000 0.000 0.287 341 I C -0.622 175.538 176.117 0.071 0.000 1.023 341 I CA -1.015 60.334 61.300 0.082 0.000 1.083 341 I CB 1.778 39.785 38.000 0.011 0.000 1.245 341 I HN 0.349 nan 8.210 nan 0.000 0.434 342 I N 7.170 127.800 120.570 0.100 0.000 2.312 342 I HA 0.306 4.475 4.170 -0.000 0.000 0.290 342 I C 0.040 176.218 176.117 0.100 0.000 1.008 342 I CA -0.721 60.630 61.300 0.085 0.000 1.226 342 I CB 1.353 39.399 38.000 0.077 0.000 1.371 342 I HN 0.144 nan 8.210 nan 0.000 0.468 343 V N 5.105 125.079 119.914 0.101 0.000 2.350 343 V HA 0.220 4.339 4.120 -0.000 0.000 0.276 343 V C 0.763 176.927 176.094 0.116 0.000 1.028 343 V CA -0.613 61.761 62.300 0.124 0.000 0.860 343 V CB 1.541 33.471 31.823 0.177 0.000 0.990 343 V HN 0.842 nan 8.190 nan 0.000 0.453 344 S N 4.767 120.543 115.700 0.127 0.000 2.481 344 S HA 0.181 4.651 4.470 -0.000 0.000 0.282 344 S C 0.506 175.233 174.600 0.213 0.000 1.243 344 S CA -0.205 58.089 58.200 0.158 0.000 1.078 344 S CB -0.257 63.006 63.200 0.105 0.000 0.916 344 S HN 0.768 nan 8.310 nan 0.000 0.495 345 N N 4.939 123.787 118.700 0.248 0.000 2.588 345 N HA 0.250 4.990 4.740 -0.000 0.000 0.298 345 N C -0.888 174.884 175.510 0.436 0.000 1.718 345 N CA -0.187 53.057 53.050 0.323 0.000 0.888 345 N CB 0.475 39.005 38.487 0.071 0.000 1.389 345 N HN 0.522 nan 8.380 nan 0.000 0.491 346 L N 0.735 122.192 121.223 0.389 0.000 2.439 346 L HA 0.330 4.669 4.340 -0.000 0.000 0.261 346 L C 1.384 178.393 176.870 0.233 0.000 1.153 346 L CA -0.379 54.662 54.840 0.336 0.000 0.808 346 L CB 0.702 42.919 42.059 0.262 0.000 1.126 346 L HN 0.152 nan 8.230 nan 0.000 0.460 347 S N 0.147 115.811 115.700 -0.060 0.000 2.634 347 S HA 0.130 4.600 4.470 -0.000 0.000 0.261 347 S C 0.773 175.360 174.600 -0.021 0.000 1.271 347 S CA -0.703 57.322 58.200 -0.292 0.000 0.985 347 S CB 0.636 63.484 63.200 -0.586 0.000 0.968 347 S HN 0.593 nan 8.310 nan 0.000 0.568 348 N N 0.338 119.041 118.700 0.006 0.000 2.381 348 N HA -0.049 4.691 4.740 -0.000 0.000 0.182 348 N C 1.567 177.079 175.510 0.003 0.000 1.025 348 N CA 0.733 53.800 53.050 0.028 0.000 0.888 348 N CB -0.824 37.683 38.487 0.033 0.000 0.965 348 N HN 0.465 nan 8.380 nan 0.000 0.438 349 V N 0.506 120.409 119.914 -0.018 0.000 2.515 349 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 349 V C 2.204 178.307 176.094 0.016 0.000 1.058 349 V CA 2.103 64.402 62.300 -0.002 0.000 1.064 349 V CB -0.754 31.069 31.823 -0.001 0.000 0.675 349 V HN 0.519 nan 8.190 nan 0.000 0.461 350 T N -3.050 111.520 114.554 0.026 0.000 2.971 350 T HA 0.075 4.425 4.350 -0.000 0.000 0.252 350 T C 1.794 176.517 174.700 0.038 0.000 1.022 350 T CA 0.106 62.237 62.100 0.053 0.000 0.980 350 T CB -0.052 68.876 68.868 0.102 0.000 1.044 350 T HN 0.279 nan 8.240 nan 0.000 0.501 351 R N 1.275 121.793 120.500 0.030 0.000 2.120 351 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 351 R C 2.361 178.615 176.300 -0.077 0.000 1.123 351 R CA 1.536 57.640 56.100 0.005 0.000 0.975 351 R CB -0.710 29.607 30.300 0.027 0.000 0.866 351 R HN 0.504 nan 8.270 nan 0.000 0.446 352 G N -0.382 108.378 108.800 -0.067 0.000 2.920 352 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.208 352 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.208 352 G C 0.392 175.212 174.900 -0.134 0.000 1.159 352 G CA 0.452 45.488 45.100 -0.106 0.000 0.784 352 G HN 0.620 nan 8.290 nan 0.000 0.535 353 N N -1.845 116.790 118.700 -0.108 0.000 2.116 353 N HA 0.129 4.869 4.740 -0.000 0.000 0.230 353 N C -0.280 175.196 175.510 -0.055 0.000 1.326 353 N CA -0.182 52.820 53.050 -0.079 0.000 0.867 353 N CB 0.684 39.167 38.487 -0.006 0.000 1.174 353 N HN -0.100 nan 8.380 nan 0.000 0.506 354 T N 0.500 114.998 114.554 -0.093 0.000 2.841 354 T HA 0.300 4.650 4.350 -0.000 0.000 0.285 354 T C -1.247 173.415 174.700 -0.063 0.000 0.991 354 T CA -0.383 61.745 62.100 0.046 0.000 0.966 354 T CB 0.824 69.801 68.868 0.182 0.000 0.962 354 T HN 0.135 nan 8.240 nan 0.000 0.438 355 W N 2.530 123.874 121.300 0.074 0.000 2.287 355 W HA 0.452 5.112 4.660 0.001 0.000 0.313 355 W C -0.058 176.374 176.519 -0.145 0.000 1.267 355 W CA -0.649 56.684 57.345 -0.020 0.000 1.201 355 W CB 0.514 29.965 29.460 -0.015 0.000 1.196 355 W HN 0.307 nan 8.180 nan 0.000 0.536 356 V N 4.940 124.751 119.914 -0.171 0.000 2.427 356 V HA 0.210 4.330 4.120 -0.000 0.000 0.268 356 V C 0.143 176.005 176.094 -0.387 0.000 1.046 356 V CA -0.326 61.520 62.300 -0.757 0.000 0.970 356 V CB -0.161 31.334 31.823 -0.548 0.000 1.001 356 V HN 0.635 nan 8.190 nan 0.000 0.476 357 E N 2.507 122.451 120.200 -0.427 0.000 2.423 357 E HA 0.360 4.710 4.350 -0.000 0.000 0.280 357 E C -1.470 175.239 176.600 0.181 0.000 1.030 357 E CA -1.002 55.395 56.400 -0.006 0.000 0.812 357 E CB 1.609 31.370 29.700 0.101 0.000 1.313 357 E HN 0.351 nan 8.360 nan 0.000 0.456 358 D N 1.720 122.240 120.400 0.200 0.000 2.435 358 D HA 0.152 4.792 4.640 -0.000 0.000 0.230 358 D C 0.543 177.029 176.300 0.310 0.000 1.215 358 D CA -0.128 54.052 54.000 0.300 0.000 0.947 358 D CB 0.307 41.261 40.800 0.256 0.000 1.048 358 D HN 0.533 nan 8.370 nan 0.000 0.512 359 L N 2.931 124.400 121.223 0.409 0.000 2.291 359 L HA 0.004 4.344 4.340 -0.000 0.000 0.214 359 L C 1.222 178.187 176.870 0.157 0.000 1.120 359 L CA 0.184 55.168 54.840 0.240 0.000 0.799 359 L CB -0.589 41.552 42.059 0.137 0.000 0.925 359 L HN 0.560 nan 8.230 nan 0.000 0.446 360 N N 0.327 119.181 118.700 0.256 0.000 2.725 360 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 360 N C 0.378 175.882 175.510 -0.010 0.000 1.103 360 N CA 0.153 53.227 53.050 0.040 0.000 0.707 360 N CB -0.425 37.996 38.487 -0.110 0.000 1.043 360 N HN 0.252 nan 8.380 nan 0.000 0.553 361 R N 0.789 121.311 120.500 0.038 0.000 2.537 361 R HA 0.056 4.396 4.340 -0.000 0.000 0.280 361 R C 0.109 176.360 176.300 -0.081 0.000 1.058 361 R CA 0.476 56.509 56.100 -0.112 0.000 1.057 361 R CB 0.118 30.170 30.300 -0.413 0.000 0.973 361 R HN 0.408 nan 8.270 nan 0.000 0.438 362 N N 0.513 119.123 118.700 -0.149 0.000 2.705 362 N HA -0.286 4.454 4.740 -0.000 0.000 0.255 362 N C -1.437 173.906 175.510 -0.279 0.000 1.008 362 N CA 0.675 53.565 53.050 -0.267 0.000 0.742 362 N CB -0.427 37.747 38.487 -0.522 0.000 0.906 362 N HN 0.672 nan 8.380 nan 0.000 0.541 363 A N -0.250 122.470 122.820 -0.167 0.000 2.608 363 A HA 0.476 4.795 4.320 -0.000 0.000 0.292 363 A C -0.620 176.887 177.584 -0.128 0.000 1.066 363 A CA -0.827 51.133 52.037 -0.129 0.000 0.676 363 A CB 1.157 20.118 19.000 -0.066 0.000 1.277 363 A HN 0.204 nan 8.150 nan 0.000 0.413 364 E N 0.816 120.968 120.200 -0.081 0.000 2.418 364 E HA 0.238 4.588 4.350 -0.000 0.000 0.261 364 E C -0.196 176.327 176.600 -0.127 0.000 1.070 364 E CA 0.262 56.622 56.400 -0.067 0.000 0.931 364 E CB 0.361 30.053 29.700 -0.014 0.000 0.954 364 E HN 0.583 nan 8.360 nan 0.000 0.439 365 T N 2.643 117.143 114.554 -0.089 0.000 2.871 365 T HA -0.027 4.323 4.350 -0.000 0.000 0.296 365 T C -0.029 174.660 174.700 -0.018 0.000 0.998 365 T CA 0.364 62.409 62.100 -0.093 0.000 1.162 365 T CB -0.115 68.737 68.868 -0.027 0.000 0.947 365 T HN 0.302 nan 8.240 nan 0.000 0.536 366 H N 1.073 120.174 119.070 0.052 0.000 2.607 366 H HA 0.464 5.019 4.556 -0.000 0.000 0.367 366 H C 0.832 176.193 175.328 0.056 0.000 1.181 366 H CA -0.526 55.559 56.048 0.061 0.000 1.402 366 H CB 0.702 30.510 29.762 0.077 0.000 1.474 366 H HN 0.709 nan 8.280 nan 0.000 0.596 367 S N 0.795 116.613 115.700 0.198 0.000 2.638 367 S HA 0.716 5.186 4.470 -0.000 0.000 0.274 367 S C 0.042 174.707 174.600 0.108 0.000 1.157 367 S CA -0.358 57.917 58.200 0.125 0.000 0.826 367 S CB 1.976 65.233 63.200 0.096 0.000 1.139 367 S HN 1.233 nan 8.310 nan 0.000 0.474 368 G N 0.956 109.812 108.800 0.092 0.000 2.760 368 G HA2 0.025 3.985 3.960 -0.000 0.000 0.246 368 G HA3 0.025 3.985 3.960 -0.000 0.000 0.246 368 G C -2.986 171.959 174.900 0.074 0.000 1.359 368 G CA -0.418 44.737 45.100 0.092 0.000 0.861 368 G HN 0.890 nan 8.290 nan 0.000 0.541 369 P HA 0.433 nan 4.420 nan 0.000 0.272 369 P C -0.235 177.020 177.300 -0.074 0.000 1.223 369 P CA 0.156 63.247 63.100 -0.015 0.000 0.784 369 P CB 0.777 32.479 31.700 0.004 0.000 0.923 370 T N 1.957 116.421 114.554 -0.149 0.000 2.807 370 T HA 0.514 4.863 4.350 -0.000 0.000 0.279 370 T C -0.428 174.153 174.700 -0.198 0.000 0.993 370 T CA -0.084 61.967 62.100 -0.082 0.000 0.970 370 T CB 0.266 69.130 68.868 -0.006 0.000 0.950 370 T HN 0.120 nan 8.240 nan 0.000 0.441 371 F N 2.627 122.599 119.950 0.036 0.000 2.427 371 F HA 0.589 5.116 4.527 -0.000 0.000 0.346 371 F C 0.289 176.128 175.800 0.066 0.000 1.120 371 F CA -1.077 56.951 58.000 0.046 0.000 1.033 371 F CB 1.053 40.049 39.000 -0.008 0.000 1.126 371 F HN 0.286 nan 8.300 nan 0.000 0.462 372 I N 5.264 125.984 120.570 0.249 0.000 2.418 372 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 372 I C -0.891 175.376 176.117 0.249 0.000 1.008 372 I CA -0.704 60.716 61.300 0.200 0.000 1.104 372 I CB 1.581 39.664 38.000 0.140 0.000 1.264 372 I HN 0.344 nan 8.210 nan 0.000 0.438 373 I N 5.448 126.144 120.570 0.209 0.000 2.330 373 I HA 0.363 4.532 4.170 -0.000 0.000 0.289 373 I C 0.933 177.151 176.117 0.167 0.000 1.001 373 I CA -0.075 61.354 61.300 0.216 0.000 1.193 373 I CB 0.880 38.999 38.000 0.199 0.000 1.345 373 I HN 0.599 nan 8.210 nan 0.000 0.461 374 G N 4.751 113.654 108.800 0.171 0.000 2.553 374 G HA2 0.446 4.405 3.960 -0.000 0.000 0.278 374 G HA3 0.446 4.405 3.960 -0.000 0.000 0.278 374 G C 0.071 175.042 174.900 0.118 0.000 1.349 374 G CA -0.210 44.961 45.100 0.117 0.000 1.037 374 G HN 0.674 nan 8.290 nan 0.000 0.508 375 S N -1.895 113.861 115.700 0.094 0.000 2.739 375 S HA 0.362 4.832 4.470 -0.000 0.000 0.306 375 S C 0.107 174.752 174.600 0.076 0.000 1.115 375 S CA -0.597 57.664 58.200 0.101 0.000 0.985 375 S CB 2.049 65.316 63.200 0.113 0.000 1.133 375 S HN 0.344 nan 8.310 nan 0.000 0.541 376 D N 0.740 121.182 120.400 0.070 0.000 2.363 376 D HA 0.217 4.857 4.640 -0.000 0.000 0.226 376 D C 0.995 177.318 176.300 0.038 0.000 1.020 376 D CA 0.428 54.459 54.000 0.052 0.000 0.892 376 D CB -0.429 40.398 40.800 0.045 0.000 0.900 376 D HN 0.633 nan 8.370 nan 0.000 0.531 377 G N -0.068 108.754 108.800 0.037 0.000 2.532 377 G HA2 0.173 4.133 3.960 -0.000 0.000 0.291 377 G HA3 0.173 4.133 3.960 -0.000 0.000 0.291 377 G C 0.028 174.928 174.900 0.000 0.000 1.349 377 G CA -0.555 44.557 45.100 0.021 0.000 1.038 377 G HN -0.056 nan 8.290 nan 0.000 0.518 378 N N 1.465 120.153 118.700 -0.019 0.000 2.415 378 N HA 0.261 5.000 4.740 -0.000 0.000 0.246 378 N C -0.864 174.584 175.510 -0.102 0.000 1.078 378 N CA -0.053 52.964 53.050 -0.054 0.000 0.942 378 N CB 1.034 39.491 38.487 -0.049 0.000 1.140 378 N HN 0.306 nan 8.380 nan 0.000 0.501 379 D N 1.403 121.712 120.400 -0.151 0.000 2.228 379 D HA 0.383 5.023 4.640 -0.000 0.000 0.247 379 D C 0.080 176.159 176.300 -0.368 0.000 0.995 379 D CA -0.379 53.493 54.000 -0.213 0.000 0.903 379 D CB 2.012 42.709 40.800 -0.171 0.000 1.205 379 D HN 0.198 nan 8.370 nan 0.000 0.459 380 L N 1.916 122.860 121.223 -0.466 0.000 2.298 380 L HA 0.508 4.848 4.340 -0.000 0.000 0.284 380 L C -0.269 176.395 176.870 -0.343 0.000 1.013 380 L CA -0.538 53.835 54.840 -0.778 0.000 0.824 380 L CB 1.031 42.163 42.059 -1.545 0.000 1.221 380 L HN 0.143 nan 8.230 nan 0.000 0.418 381 I N 3.892 124.432 120.570 -0.051 0.000 2.436 381 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 381 I C -0.384 175.952 176.117 0.366 0.000 1.010 381 I CA -0.518 60.860 61.300 0.130 0.000 1.098 381 I CB 2.267 40.281 38.000 0.023 0.000 1.266 381 I HN 0.512 nan 8.210 nan 0.000 0.434 382 K N 5.012 125.580 120.400 0.279 0.000 2.450 382 K HA 0.620 4.940 4.320 -0.000 0.000 0.257 382 K C -0.297 176.350 176.600 0.080 0.000 0.953 382 K CA -0.437 55.926 56.287 0.126 0.000 0.844 382 K CB 1.742 34.227 32.500 -0.024 0.000 1.103 382 K HN 0.783 nan 8.250 nan 0.000 0.429 383 G N 1.868 110.713 108.800 0.074 0.000 2.476 383 G HA2 0.481 4.441 3.960 -0.000 0.000 0.286 383 G HA3 0.481 4.441 3.960 -0.000 0.000 0.286 383 G C -0.002 174.906 174.900 0.013 0.000 1.177 383 G CA -0.603 44.524 45.100 0.045 0.000 0.870 383 G HN 0.688 nan 8.290 nan 0.000 0.528 384 G N -0.753 108.055 108.800 0.013 0.000 2.531 384 G HA2 0.343 4.303 3.960 -0.000 0.000 0.281 384 G HA3 0.343 4.303 3.960 -0.000 0.000 0.281 384 G C 0.774 175.672 174.900 -0.003 0.000 1.382 384 G CA -0.589 44.516 45.100 0.009 0.000 1.045 384 G HN 0.521 nan 8.290 nan 0.000 0.533 385 K N -0.457 119.945 120.400 0.002 0.000 2.366 385 K HA 0.067 4.387 4.320 -0.000 0.000 0.198 385 K C 1.566 178.167 176.600 0.001 0.000 1.044 385 K CA 0.496 56.781 56.287 -0.003 0.000 0.973 385 K CB 0.103 32.604 32.500 0.003 0.000 0.767 385 K HN 0.387 nan 8.250 nan 0.000 0.475 386 G N 0.985 109.792 108.800 0.010 0.000 2.574 386 G HA2 0.079 4.039 3.960 -0.000 0.000 0.248 386 G HA3 0.079 4.039 3.960 -0.000 0.000 0.248 386 G C -0.423 174.471 174.900 -0.011 0.000 1.422 386 G CA -0.664 44.448 45.100 0.020 0.000 1.051 386 G HN 0.061 nan 8.290 nan 0.000 0.560 387 N N 0.903 119.594 118.700 -0.016 0.000 2.444 387 N HA 0.376 5.116 4.740 -0.000 0.000 0.271 387 N C -1.308 174.067 175.510 -0.225 0.000 1.069 387 N CA 0.019 53.010 53.050 -0.099 0.000 0.965 387 N CB 1.565 40.020 38.487 -0.053 0.000 1.092 387 N HN 0.360 nan 8.380 nan 0.000 0.476 388 D N 0.498 120.675 120.400 -0.371 0.000 2.671 388 D HA 0.341 4.980 4.640 -0.000 0.000 0.232 388 D C -1.035 174.839 176.300 -0.709 0.000 1.114 388 D CA -0.330 53.439 54.000 -0.385 0.000 0.858 388 D CB 1.307 42.000 40.800 -0.179 0.000 1.544 388 D HN 0.345 nan 8.370 nan 0.000 0.471 389 Y N 1.188 121.174 120.300 -0.522 0.000 2.376 389 Y HA 0.426 4.976 4.550 -0.000 0.000 0.326 389 Y C -0.614 175.079 175.900 -0.345 0.000 0.970 389 Y CA -0.825 56.825 58.100 -0.751 0.000 1.248 389 Y CB 0.931 38.615 38.460 -1.293 0.000 1.117 389 Y HN 0.086 nan 8.280 nan 0.000 0.476 390 L N 3.622 124.842 121.223 -0.004 0.000 2.313 390 L HA 0.519 4.859 4.340 -0.000 0.000 0.283 390 L C -0.287 176.863 176.870 0.467 0.000 1.013 390 L CA -0.601 54.394 54.840 0.258 0.000 0.816 390 L CB 1.948 44.156 42.059 0.249 0.000 1.236 390 L HN 0.570 nan 8.230 nan 0.000 0.419 391 E N 1.649 122.173 120.200 0.541 0.000 2.182 391 E HA 0.309 4.659 4.350 -0.000 0.000 0.258 391 E C 0.574 177.429 176.600 0.425 0.000 0.879 391 E CA -0.315 56.371 56.400 0.477 0.000 0.754 391 E CB 1.807 31.756 29.700 0.414 0.000 1.162 391 E HN 0.760 nan 8.360 nan 0.000 0.419 392 G N 3.912 113.014 108.800 0.503 0.000 2.430 392 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.216 392 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.216 392 G C 0.527 175.543 174.900 0.193 0.000 1.146 392 G CA 0.358 45.684 45.100 0.377 0.000 0.793 392 G HN 0.712 nan 8.290 nan 0.000 0.537 393 R N -0.512 120.091 120.500 0.170 0.000 3.819 393 R HA -0.155 4.185 4.340 -0.000 0.000 0.488 393 R C -0.656 175.699 176.300 0.092 0.000 0.241 393 R CA 0.897 57.062 56.100 0.108 0.000 1.530 393 R CB -1.381 28.977 30.300 0.097 0.000 1.019 393 R HN 0.292 nan 8.270 nan 0.000 0.557 394 D N 0.358 120.799 120.400 0.069 0.000 2.363 394 D HA 0.431 5.071 4.640 -0.000 0.000 0.240 394 D C 0.848 177.179 176.300 0.052 0.000 1.236 394 D CA 1.574 55.608 54.000 0.057 0.000 0.927 394 D CB 0.173 41.000 40.800 0.045 0.000 1.150 394 D HN 0.805 nan 8.370 nan 0.000 0.458 395 G N 0.306 109.134 108.800 0.046 0.000 2.746 395 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.685 395 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.685 395 G C -1.244 173.681 174.900 0.041 0.000 1.350 395 G CA -0.824 44.297 45.100 0.035 0.000 0.837 395 G HN 0.447 nan 8.290 nan 0.000 0.564 396 D N 1.745 122.166 120.400 0.035 0.000 2.365 396 D HA 0.442 5.082 4.640 -0.000 0.000 0.237 396 D C -0.000 176.288 176.300 -0.019 0.000 1.190 396 D CA 0.184 54.214 54.000 0.051 0.000 0.867 396 D CB 0.846 41.700 40.800 0.090 0.000 1.050 396 D HN 0.358 nan 8.370 nan 0.000 0.491 397 D N 1.619 121.989 120.400 -0.049 0.000 2.228 397 D HA 0.468 5.107 4.640 -0.000 0.000 0.247 397 D C 0.376 176.515 176.300 -0.268 0.000 0.995 397 D CA -0.440 53.424 54.000 -0.227 0.000 0.903 397 D CB 2.158 42.770 40.800 -0.314 0.000 1.205 397 D HN 0.224 nan 8.370 nan 0.000 0.459 398 I N 1.262 121.590 120.570 -0.403 0.000 2.436 398 I HA 0.337 4.507 4.170 -0.000 0.000 0.289 398 I C -0.835 175.123 176.117 -0.266 0.000 1.010 398 I CA -0.740 60.437 61.300 -0.205 0.000 1.098 398 I CB 1.192 39.149 38.000 -0.071 0.000 1.266 398 I HN 0.078 nan 8.210 nan 0.000 0.434 399 F N 4.687 124.702 119.950 0.109 0.000 2.480 399 F HA 0.654 5.181 4.527 -0.001 0.000 0.329 399 F C 0.322 175.982 175.800 -0.233 0.000 1.091 399 F CA -0.623 57.426 58.000 0.082 0.000 0.972 399 F CB 1.642 40.740 39.000 0.163 0.000 1.150 399 F HN 0.259 nan 8.300 nan 0.000 0.467 400 R N 0.916 121.410 120.500 -0.010 0.000 2.854 400 R HA 0.501 4.841 4.340 -0.000 0.000 0.271 400 R C -1.758 174.475 176.300 -0.111 0.000 0.994 400 R CA -1.043 54.853 56.100 -0.340 0.000 0.945 400 R CB 2.479 32.486 30.300 -0.487 0.000 1.194 400 R HN 0.654 nan 8.270 nan 0.000 0.476 401 D N 0.021 120.376 120.400 -0.074 0.000 2.927 401 D HA 0.224 4.864 4.640 -0.000 0.000 0.219 401 D C -0.614 175.697 176.300 0.019 0.000 1.248 401 D CA -0.307 53.723 54.000 0.049 0.000 0.861 401 D CB 2.329 43.233 40.800 0.172 0.000 1.677 401 D HN 0.594 nan 8.370 nan 0.000 0.511 402 A N 1.796 124.608 122.820 -0.013 0.000 2.238 402 A HA 0.581 4.901 4.320 -0.000 0.000 0.210 402 A C 0.954 178.526 177.584 -0.020 0.000 1.179 402 A CA 1.193 53.214 52.037 -0.026 0.000 0.827 402 A CB 0.092 19.071 19.000 -0.035 0.000 0.856 402 A HN 0.768 nan 8.150 nan 0.000 0.488 403 G N -3.609 105.176 108.800 -0.025 0.000 2.343 403 G HA2 0.538 4.498 3.960 -0.000 0.000 0.289 403 G HA3 0.538 4.498 3.960 -0.000 0.000 0.289 403 G C 0.354 175.196 174.900 -0.096 0.000 1.295 403 G CA 0.242 45.306 45.100 -0.059 0.000 0.869 403 G HN 1.974 nan 8.290 nan 0.000 0.522 404 G N -1.449 107.257 108.800 -0.156 0.000 2.593 404 G HA2 0.167 4.127 3.960 -0.000 0.000 0.237 404 G HA3 0.167 4.127 3.960 -0.000 0.000 0.237 404 G C -0.597 174.074 174.900 -0.382 0.000 1.312 404 G CA 0.288 45.285 45.100 -0.171 0.000 0.896 404 G HN 1.625 nan 8.290 nan 0.000 0.574 405 Y N 1.830 122.078 120.300 -0.086 0.000 2.341 405 Y HA 0.628 5.178 4.550 -0.001 0.000 0.338 405 Y C 0.619 176.377 175.900 -0.235 0.000 0.965 405 Y CA -0.802 57.229 58.100 -0.115 0.000 1.108 405 Y CB 1.936 40.353 38.460 -0.072 0.000 1.180 405 Y HN 0.590 nan 8.280 nan 0.000 0.458 406 N N 3.887 122.491 118.700 -0.159 0.000 2.277 406 N HA 0.549 5.288 4.740 -0.000 0.000 0.286 406 N C -1.706 173.602 175.510 -0.336 0.000 1.140 406 N CA -0.750 52.101 53.050 -0.331 0.000 0.799 406 N CB 2.811 41.157 38.487 -0.235 0.000 1.596 406 N HN 0.473 nan 8.380 nan 0.000 0.473 407 L N 1.878 122.821 121.223 -0.466 0.000 2.341 407 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 407 L C -0.483 176.303 176.870 -0.139 0.000 1.005 407 L CA -0.679 54.025 54.840 -0.227 0.000 0.818 407 L CB 1.755 43.795 42.059 -0.033 0.000 1.259 407 L HN 0.371 nan 8.230 nan 0.000 0.418 408 I N 2.609 123.124 120.570 -0.093 0.000 2.466 408 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 408 I C -0.202 175.859 176.117 -0.093 0.000 1.026 408 I CA -0.504 60.693 61.300 -0.171 0.000 1.078 408 I CB 2.182 39.923 38.000 -0.433 0.000 1.249 408 I HN 0.635 nan 8.210 nan 0.000 0.429 409 A N 4.203 127.034 122.820 0.019 0.000 2.328 409 A HA 0.585 4.905 4.320 -0.000 0.000 0.318 409 A C 0.987 178.589 177.584 0.030 0.000 1.347 409 A CA -0.388 51.652 52.037 0.005 0.000 0.842 409 A CB 0.746 19.730 19.000 -0.027 0.000 1.148 409 A HN 0.949 nan 8.150 nan 0.000 0.499 410 G N 1.593 110.401 108.800 0.015 0.000 2.443 410 G HA2 0.367 4.326 3.960 -0.000 0.000 0.219 410 G HA3 0.367 4.326 3.960 -0.000 0.000 0.219 410 G C 1.166 176.194 174.900 0.213 0.000 1.131 410 G CA 0.860 46.095 45.100 0.224 0.000 0.775 410 G HN 2.129 nan 8.290 nan 0.000 0.547 411 G N -0.115 108.751 108.800 0.111 0.000 2.645 411 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 411 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 411 G C 0.091 175.037 174.900 0.076 0.000 1.322 411 G CA 0.027 45.176 45.100 0.082 0.000 0.898 411 G HN 0.621 nan 8.290 nan 0.000 0.573 412 K N 0.655 121.093 120.400 0.064 0.000 2.234 412 K HA 0.479 4.798 4.320 -0.000 0.000 0.251 412 K C 0.948 177.593 176.600 0.075 0.000 1.011 412 K CA 0.876 57.200 56.287 0.060 0.000 0.889 412 K CB -0.007 32.522 32.500 0.049 0.000 1.011 412 K HN 2.349 nan 8.250 nan 0.000 0.505 413 G N 0.245 109.091 108.800 0.076 0.000 2.655 413 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.680 413 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.680 413 G C -1.229 173.746 174.900 0.126 0.000 1.302 413 G CA -0.707 44.450 45.100 0.096 0.000 0.872 413 G HN 0.813 nan 8.290 nan 0.000 0.540 414 H N 1.969 121.069 119.070 0.050 0.000 2.820 414 H HA 0.351 4.907 4.556 -0.000 0.000 0.278 414 H C -0.199 175.173 175.328 0.074 0.000 1.142 414 H CA -0.300 55.781 56.048 0.056 0.000 1.346 414 H CB -0.194 29.590 29.762 0.038 0.000 1.438 414 H HN 0.472 nan 8.280 nan 0.000 0.473 415 N N 5.951 124.530 118.700 -0.202 0.000 2.417 415 N HA 0.348 5.088 4.740 -0.000 0.000 0.300 415 N C -0.326 175.135 175.510 -0.081 0.000 1.102 415 N CA -0.555 52.474 53.050 -0.036 0.000 0.886 415 N CB 2.502 41.103 38.487 0.189 0.000 1.203 415 N HN 0.526 nan 8.380 nan 0.000 0.496 416 I N 1.105 121.723 120.570 0.081 0.000 2.498 416 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 416 I C -1.010 175.285 176.117 0.297 0.000 1.032 416 I CA -0.847 60.525 61.300 0.121 0.000 1.073 416 I CB 1.914 39.966 38.000 0.087 0.000 1.251 416 I HN 0.352 nan 8.210 nan 0.000 0.426 417 F N 5.510 125.554 119.950 0.156 0.000 2.427 417 F HA 0.397 4.923 4.527 -0.001 0.000 0.346 417 F C -0.310 175.570 175.800 0.133 0.000 1.120 417 F CA -0.341 57.764 58.000 0.174 0.000 1.033 417 F CB 0.942 39.993 39.000 0.086 0.000 1.126 417 F HN 0.357 nan 8.300 nan 0.000 0.462 418 D N 3.832 123.940 120.400 -0.487 0.000 2.414 418 D HA 0.134 4.774 4.640 -0.000 0.000 0.232 418 D C 0.931 177.007 176.300 -0.372 0.000 1.070 418 D CA -0.190 53.662 54.000 -0.246 0.000 0.839 418 D CB 1.563 42.289 40.800 -0.124 0.000 1.079 418 D HN 0.659 nan 8.370 nan 0.000 0.521 419 T N 0.812 115.349 114.554 -0.029 0.000 3.055 419 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 419 T C 0.966 175.662 174.700 -0.007 0.000 1.111 419 T CA 0.656 62.805 62.100 0.082 0.000 1.118 419 T CB -0.277 68.705 68.868 0.189 0.000 0.909 419 T HN 0.628 nan 8.240 nan 0.000 0.501 420 Q N 0.529 120.308 119.800 -0.036 0.000 2.406 420 Q HA -0.232 4.108 4.340 -0.000 0.000 0.236 420 Q C 0.014 176.011 176.000 -0.006 0.000 0.799 420 Q CA 1.331 57.108 55.803 -0.043 0.000 1.286 420 Q CB -1.713 26.964 28.738 -0.101 0.000 1.615 420 Q HN 0.988 nan 8.270 nan 0.000 0.621 421 Q N -1.925 117.890 119.800 0.025 0.000 2.737 421 Q HA 0.798 5.138 4.340 -0.000 0.000 0.307 421 Q C -1.072 174.960 176.000 0.053 0.000 0.905 421 Q CA -0.517 55.306 55.803 0.033 0.000 0.753 421 Q CB 1.001 29.753 28.738 0.025 0.000 1.463 421 Q HN 0.164 nan 8.270 nan 0.000 0.455 422 A N 0.862 123.712 122.820 0.050 0.000 2.540 422 A HA 0.128 4.448 4.320 -0.000 0.000 0.239 422 A C 0.679 178.295 177.584 0.053 0.000 1.061 422 A CA -0.253 51.819 52.037 0.058 0.000 0.758 422 A CB 0.016 19.047 19.000 0.052 0.000 0.991 422 A HN 0.741 nan 8.150 nan 0.000 0.502 423 L N 2.655 123.910 121.223 0.052 0.000 2.127 423 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 423 L C 2.524 179.401 176.870 0.012 0.000 1.089 423 L CA 2.642 57.487 54.840 0.008 0.000 0.757 423 L CB -0.564 41.451 42.059 -0.073 0.000 0.899 423 L HN 0.893 nan 8.230 nan 0.000 0.434 424 K N -1.737 118.678 120.400 0.026 0.000 2.360 424 K HA -0.146 4.174 4.320 -0.000 0.000 0.201 424 K C 1.223 177.843 176.600 0.033 0.000 1.046 424 K CA 1.589 57.893 56.287 0.029 0.000 0.940 424 K CB -0.488 32.032 32.500 0.034 0.000 0.748 424 K HN 0.304 nan 8.250 nan 0.000 0.465 425 N N 0.372 119.093 118.700 0.034 0.000 2.398 425 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 425 N C -0.550 174.982 175.510 0.037 0.000 1.122 425 N CA 0.517 53.587 53.050 0.033 0.000 0.866 425 N CB 0.718 39.223 38.487 0.031 0.000 0.970 425 N HN 0.163 nan 8.380 nan 0.000 0.462 426 T N 0.645 115.225 114.554 0.043 0.000 2.824 426 T HA 0.302 4.652 4.350 -0.000 0.000 0.282 426 T C -0.297 174.446 174.700 0.071 0.000 0.993 426 T CA -0.663 61.467 62.100 0.052 0.000 0.967 426 T CB 2.200 71.097 68.868 0.049 0.000 0.960 426 T HN -0.040 nan 8.240 nan 0.000 0.441 427 E N 1.734 122.001 120.200 0.112 0.000 2.229 427 E HA 0.477 4.827 4.350 -0.000 0.000 0.283 427 E C -0.819 175.890 176.600 0.180 0.000 1.030 427 E CA -0.567 55.946 56.400 0.188 0.000 0.836 427 E CB 1.177 31.049 29.700 0.285 0.000 1.068 427 E HN 0.227 nan 8.360 nan 0.000 0.401 428 V N 2.288 122.286 119.914 0.140 0.000 2.531 428 V HA 0.721 4.841 4.120 -0.000 0.000 0.301 428 V C -0.227 175.864 176.094 -0.005 0.000 1.034 428 V CA -0.556 61.767 62.300 0.039 0.000 0.865 428 V CB 1.428 33.280 31.823 0.048 0.000 0.995 428 V HN 0.811 nan 8.190 nan 0.000 0.424 429 A N 3.913 126.551 122.820 -0.303 0.000 2.564 429 A HA 0.965 5.285 4.320 -0.000 0.000 0.288 429 A C -2.060 175.181 177.584 -0.572 0.000 1.164 429 A CA -0.644 51.104 52.037 -0.482 0.000 0.712 429 A CB 2.117 20.561 19.000 -0.927 0.000 1.303 429 A HN 0.936 nan 8.150 nan 0.000 0.418 430 Y N 0.709 120.409 120.300 -0.999 0.000 2.442 430 Y HA 0.415 4.965 4.550 -0.000 0.000 0.330 430 Y C -0.347 175.019 175.900 -0.890 0.000 1.100 430 Y CA -0.989 56.546 58.100 -0.941 0.000 1.034 430 Y CB 1.952 39.656 38.460 -1.260 0.000 1.285 430 Y HN 0.772 nan 8.280 nan 0.000 0.440 431 D N 1.936 121.598 120.400 -1.230 0.000 2.339 431 D HA 0.275 4.915 4.640 -0.000 0.000 0.217 431 D C 1.458 177.322 176.300 -0.728 0.000 1.050 431 D CA 0.821 54.161 54.000 -1.099 0.000 0.856 431 D CB 0.431 40.585 40.800 -1.076 0.000 0.922 431 D HN 0.989 nan 8.370 nan 0.000 0.518 432 G N 0.431 108.562 108.800 -1.115 0.000 2.253 432 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.209 432 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.209 432 G C 0.753 175.223 174.900 -0.717 0.000 0.997 432 G CA 0.237 44.919 45.100 -0.696 0.000 0.640 432 G HN 0.518 nan 8.290 nan 0.000 0.496 433 N N -1.012 117.158 118.700 -0.884 0.000 2.354 433 N HA 0.057 4.796 4.740 -0.000 0.000 0.253 433 N C -0.312 174.963 175.510 -0.391 0.000 1.096 433 N CA 0.928 53.720 53.050 -0.430 0.000 0.820 433 N CB 0.803 39.141 38.487 -0.248 0.000 1.610 433 N HN 0.215 nan 8.380 nan 0.000 0.501 434 T N 2.045 116.276 114.554 -0.538 0.000 2.794 434 T HA 0.417 4.767 4.350 -0.000 0.000 0.280 434 T C -0.715 173.734 174.700 -0.418 0.000 0.987 434 T CA -0.418 61.427 62.100 -0.425 0.000 0.993 434 T CB 2.268 70.845 68.868 -0.485 0.000 0.939 434 T HN 0.094 nan 8.240 nan 0.000 0.449 435 L N 4.127 125.198 121.223 -0.253 0.000 2.305 435 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 435 L C -1.365 175.232 176.870 -0.455 0.000 1.085 435 L CA -0.409 54.333 54.840 -0.164 0.000 0.813 435 L CB 0.098 42.087 42.059 -0.118 0.000 1.157 435 L HN 0.601 nan 8.230 nan 0.000 0.436 436 Y N 5.591 125.645 120.300 -0.410 0.000 2.335 436 Y HA 0.614 5.163 4.550 -0.001 0.000 0.338 436 Y C -0.542 175.136 175.900 -0.370 0.000 0.977 436 Y CA -0.674 57.168 58.100 -0.430 0.000 1.114 436 Y CB 1.341 39.381 38.460 -0.700 0.000 1.182 436 Y HN 0.360 nan 8.280 nan 0.000 0.463 437 L N 4.555 125.701 121.223 -0.129 0.000 2.381 437 L HA 0.621 4.961 4.340 -0.000 0.000 0.274 437 L C -0.545 176.348 176.870 0.039 0.000 0.988 437 L CA -0.808 53.984 54.840 -0.080 0.000 0.824 437 L CB 2.227 44.143 42.059 -0.239 0.000 1.263 437 L HN 0.538 nan 8.230 nan 0.000 0.410 438 R N 1.953 122.541 120.500 0.147 0.000 2.393 438 R HA 0.341 4.681 4.340 -0.000 0.000 0.315 438 R C -0.864 175.464 176.300 0.047 0.000 0.952 438 R CA -0.613 55.559 56.100 0.119 0.000 0.842 438 R CB 1.365 31.793 30.300 0.214 0.000 1.163 438 R HN 0.733 nan 8.270 nan 0.000 0.450 439 D N 3.305 123.694 120.400 -0.017 0.000 2.433 439 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 439 D C 0.787 177.078 176.300 -0.015 0.000 1.226 439 D CA -0.280 53.711 54.000 -0.016 0.000 1.015 439 D CB 0.682 41.460 40.800 -0.038 0.000 1.091 439 D HN 0.434 nan 8.370 nan 0.000 0.527 440 A N -0.492 122.323 122.820 -0.009 0.000 2.121 440 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 440 A C 1.677 179.253 177.584 -0.014 0.000 1.154 440 A CA 1.014 53.047 52.037 -0.006 0.000 0.679 440 A CB -0.576 18.424 19.000 -0.000 0.000 0.795 440 A HN 0.541 nan 8.150 nan 0.000 0.458 441 K N -1.766 118.618 120.400 -0.028 0.000 2.358 441 K HA 0.292 4.611 4.320 -0.000 0.000 0.197 441 K C 1.024 177.606 176.600 -0.030 0.000 1.025 441 K CA 0.470 56.742 56.287 -0.025 0.000 1.104 441 K CB 0.282 32.766 32.500 -0.027 0.000 0.855 441 K HN 0.550 nan 8.250 nan 0.000 0.531 442 G N 0.963 109.734 108.800 -0.048 0.000 2.175 442 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 442 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 442 G C 0.400 175.207 174.900 -0.155 0.000 0.982 442 G CA -0.295 44.781 45.100 -0.040 0.000 0.641 442 G HN 0.449 nan 8.290 nan 0.000 0.527 443 G N 0.011 108.604 108.800 -0.345 0.000 2.340 443 G HA2 0.487 4.447 3.960 -0.000 0.000 0.245 443 G HA3 0.487 4.447 3.960 -0.000 0.000 0.245 443 G C 0.004 174.611 174.900 -0.488 0.000 1.294 443 G CA 0.030 44.641 45.100 -0.816 0.000 0.896 443 G HN 0.694 nan 8.290 nan 0.000 0.522 444 I N 1.304 121.567 120.570 -0.512 0.000 2.433 444 I HA 0.305 4.474 4.170 -0.000 0.000 0.292 444 I C 0.002 176.069 176.117 -0.084 0.000 1.001 444 I CA -0.495 60.761 61.300 -0.073 0.000 1.119 444 I CB 2.457 40.570 38.000 0.189 0.000 1.289 444 I HN 0.296 nan 8.210 nan 0.000 0.438 445 T N 6.725 121.208 114.554 -0.119 0.000 2.807 445 T HA 0.594 4.944 4.350 -0.000 0.000 0.279 445 T C -0.574 173.961 174.700 -0.275 0.000 0.993 445 T CA -0.474 61.499 62.100 -0.212 0.000 0.970 445 T CB 1.423 70.096 68.868 -0.325 0.000 0.950 445 T HN 0.098 nan 8.240 nan 0.000 0.441 446 L N 2.880 123.919 121.223 -0.306 0.000 2.313 446 L HA 0.777 5.117 4.340 -0.000 0.000 0.283 446 L C -0.081 176.561 176.870 -0.379 0.000 1.013 446 L CA -0.427 54.134 54.840 -0.465 0.000 0.816 446 L CB 1.383 43.192 42.059 -0.416 0.000 1.236 446 L HN 0.834 nan 8.230 nan 0.000 0.419 447 A N 2.375 124.946 122.820 -0.414 0.000 2.353 447 A HA 0.728 5.048 4.320 -0.000 0.000 0.299 447 A C -1.218 176.228 177.584 -0.229 0.000 1.089 447 A CA -0.665 51.187 52.037 -0.309 0.000 0.736 447 A CB 0.752 19.545 19.000 -0.345 0.000 1.195 447 A HN 0.552 nan 8.150 nan 0.000 0.447 448 D N 1.326 121.628 120.400 -0.162 0.000 2.193 448 D HA 0.431 5.071 4.640 -0.000 0.000 0.249 448 D C -0.366 175.906 176.300 -0.048 0.000 1.034 448 D CA 0.381 54.320 54.000 -0.101 0.000 0.902 448 D CB 1.124 41.876 40.800 -0.080 0.000 1.182 448 D HN 0.567 nan 8.370 nan 0.000 0.436 449 D N 0.648 121.045 120.400 -0.006 0.000 2.772 449 D HA -0.153 4.486 4.640 -0.000 0.000 0.233 449 D C -0.331 175.990 176.300 0.035 0.000 1.143 449 D CA 0.559 54.575 54.000 0.028 0.000 0.700 449 D CB -0.510 40.311 40.800 0.034 0.000 1.076 449 D HN 0.253 nan 8.370 nan 0.000 0.430 450 I N 0.711 121.297 120.570 0.026 0.000 2.315 450 I HA 0.078 4.248 4.170 -0.000 0.000 0.291 450 I C 1.635 177.742 176.117 -0.016 0.000 1.006 450 I CA 0.012 61.324 61.300 0.020 0.000 1.265 450 I CB 1.539 39.556 38.000 0.028 0.000 1.387 450 I HN -0.230 nan 8.210 nan 0.000 0.475 451 S N 3.642 119.296 115.700 -0.076 0.000 2.470 451 S HA 0.089 4.559 4.470 -0.000 0.000 0.222 451 S C 0.685 175.263 174.600 -0.036 0.000 1.024 451 S CA 0.553 58.709 58.200 -0.074 0.000 0.931 451 S CB 0.401 63.518 63.200 -0.139 0.000 0.791 451 S HN 0.740 nan 8.310 nan 0.000 0.513 452 T N 1.948 116.475 114.554 -0.045 0.000 2.921 452 T HA 0.504 4.854 4.350 -0.000 0.000 0.297 452 T C -1.501 173.264 174.700 0.108 0.000 1.013 452 T CA -0.456 61.675 62.100 0.052 0.000 0.990 452 T CB 2.082 71.002 68.868 0.086 0.000 1.023 452 T HN 0.007 nan 8.240 nan 0.000 0.447 453 L N 3.632 124.948 121.223 0.157 0.000 2.272 453 L HA 0.636 4.976 4.340 -0.000 0.000 0.289 453 L C 0.027 177.074 176.870 0.295 0.000 1.032 453 L CA -0.474 54.496 54.840 0.218 0.000 0.810 453 L CB 0.794 42.945 42.059 0.154 0.000 1.205 453 L HN 0.570 nan 8.230 nan 0.000 0.422 454 R N 3.337 123.986 120.500 0.248 0.000 2.393 454 R HA 0.733 5.073 4.340 -0.000 0.000 0.310 454 R C -0.711 175.712 176.300 0.205 0.000 0.968 454 R CA -0.179 56.045 56.100 0.206 0.000 0.867 454 R CB 1.089 31.462 30.300 0.122 0.000 1.124 454 R HN 0.872 nan 8.270 nan 0.000 0.450 455 S N 2.746 118.584 115.700 0.231 0.000 2.715 455 S HA 0.476 4.946 4.470 -0.000 0.000 0.307 455 S C -0.915 173.754 174.600 0.115 0.000 1.119 455 S CA -0.986 57.321 58.200 0.178 0.000 0.937 455 S CB 1.852 65.190 63.200 0.230 0.000 1.150 455 S HN 0.613 nan 8.310 nan 0.000 0.521 456 K N 0.731 121.182 120.400 0.084 0.000 2.450 456 K HA 0.412 4.732 4.320 -0.000 0.000 0.257 456 K C -1.025 175.612 176.600 0.062 0.000 0.953 456 K CA -0.350 55.972 56.287 0.059 0.000 0.844 456 K CB 0.849 33.371 32.500 0.037 0.000 1.103 456 K HN 0.646 nan 8.250 nan 0.000 0.429 457 E N 1.820 122.054 120.200 0.057 0.000 2.264 457 E HA 0.500 4.850 4.350 -0.000 0.000 0.260 457 E C -0.552 176.076 176.600 0.047 0.000 0.961 457 E CA -0.761 55.673 56.400 0.057 0.000 0.834 457 E CB 2.153 31.887 29.700 0.057 0.000 1.230 457 E HN 0.655 nan 8.360 nan 0.000 0.412 458 T N -0.163 114.423 114.554 0.054 0.000 2.787 458 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 458 T C -0.641 174.091 174.700 0.054 0.000 1.221 458 T CA -0.775 61.365 62.100 0.067 0.000 1.006 458 T CB 1.620 70.566 68.868 0.130 0.000 1.328 458 T HN 0.595 nan 8.240 nan 0.000 0.509 459 S N -0.123 115.599 115.700 0.038 0.000 2.700 459 S HA 0.426 4.896 4.470 -0.000 0.000 0.274 459 S C 0.281 174.916 174.600 0.058 0.000 1.178 459 S CA -0.896 57.311 58.200 0.012 0.000 0.824 459 S CB 0.424 63.506 63.200 -0.197 0.000 1.166 459 S HN 1.018 nan 8.310 nan 0.000 0.487 460 W N 0.211 121.557 121.300 0.076 0.000 2.421 460 W HA 0.071 4.730 4.660 -0.001 0.000 0.270 460 W C 0.914 177.377 176.519 -0.092 0.000 1.233 460 W CA 0.772 58.182 57.345 0.108 0.000 1.226 460 W CB -0.785 28.715 29.460 0.067 0.000 1.121 460 W HN 0.528 nan 8.180 nan 0.000 0.579 461 L N 1.881 122.458 121.223 -1.076 0.000 2.347 461 L HA 0.333 4.673 4.340 -0.000 0.000 0.196 461 L C 1.044 177.347 176.870 -0.945 0.000 1.072 461 L CA 0.883 55.004 54.840 -1.199 0.000 0.817 461 L CB -0.475 40.590 42.059 -1.656 0.000 1.029 461 L HN 0.003 nan 8.230 nan 0.000 0.478 462 I N -3.347 116.784 120.570 -0.731 0.000 2.359 462 I HA 0.278 4.448 4.170 -0.000 0.000 0.284 462 I C -0.111 175.806 176.117 -0.333 0.000 1.018 462 I CA -0.585 60.405 61.300 -0.516 0.000 1.173 462 I CB 0.948 38.762 38.000 -0.310 0.000 1.326 462 I HN -0.087 nan 8.210 nan 0.000 0.462 463 F N 3.855 123.757 119.950 -0.080 0.000 2.699 463 F HA 0.173 4.700 4.527 0.000 0.000 0.298 463 F C 0.649 176.430 175.800 -0.032 0.000 1.154 463 F CA 0.082 58.056 58.000 -0.043 0.000 1.457 463 F CB -0.679 38.307 39.000 -0.024 0.000 1.106 463 F HN 0.589 nan 8.300 nan 0.000 0.585 464 N N -0.190 118.562 118.700 0.087 0.000 2.406 464 N HA 0.323 5.063 4.740 -0.000 0.000 0.283 464 N C -1.180 174.332 175.510 0.004 0.000 1.074 464 N CA -0.769 52.312 53.050 0.051 0.000 0.916 464 N CB 2.395 40.917 38.487 0.058 0.000 1.639 464 N HN -0.102 nan 8.380 nan 0.000 0.485 465 K N 2.243 122.647 120.400 0.006 0.000 2.588 465 K HA 0.164 4.483 4.320 -0.000 0.000 0.250 465 K C -1.402 175.201 176.600 0.005 0.000 0.972 465 K CA -0.618 55.663 56.287 -0.010 0.000 0.821 465 K CB 1.266 33.746 32.500 -0.032 0.000 1.249 465 K HN 0.326 nan 8.250 nan 0.000 0.442 466 E N 2.601 122.803 120.200 0.004 0.000 2.290 466 E HA 0.175 4.525 4.350 -0.000 0.000 0.277 466 E C -0.604 175.988 176.600 -0.013 0.000 1.035 466 E CA -0.376 56.032 56.400 0.012 0.000 0.873 466 E CB 1.690 31.402 29.700 0.020 0.000 1.029 466 E HN 0.289 nan 8.360 nan 0.000 0.419 467 V N 3.848 123.751 119.914 -0.018 0.000 2.444 467 V HA 0.174 4.294 4.120 -0.000 0.000 0.294 467 V C -0.340 175.618 176.094 -0.227 0.000 1.022 467 V CA -0.906 61.320 62.300 -0.124 0.000 0.850 467 V CB 1.981 33.734 31.823 -0.117 0.000 0.992 467 V HN 0.480 nan 8.190 nan 0.000 0.426 468 D N 2.856 123.103 120.400 -0.256 0.000 2.177 468 D HA 0.440 5.080 4.640 -0.000 0.000 0.247 468 D C -0.378 175.705 176.300 -0.363 0.000 1.063 468 D CA -0.153 53.737 54.000 -0.184 0.000 0.867 468 D CB 0.898 41.673 40.800 -0.040 0.000 1.168 468 D HN 0.542 nan 8.370 nan 0.000 0.445 469 H N 1.246 120.340 119.070 0.040 0.000 2.708 469 H HA 0.169 4.725 4.556 -0.000 0.000 0.320 469 H C -0.145 175.194 175.328 0.018 0.000 0.991 469 H CA -0.504 55.558 56.048 0.022 0.000 1.243 469 H CB 1.518 31.292 29.762 0.020 0.000 1.446 469 H HN 0.354 nan 8.280 nan 0.000 0.502 470 Q N 2.913 122.767 119.800 0.090 0.000 2.311 470 Q HA 0.144 4.483 4.340 -0.000 0.000 0.272 470 Q C -0.658 175.351 176.000 0.016 0.000 1.012 470 Q CA -0.400 55.437 55.803 0.056 0.000 0.891 470 Q CB 0.729 29.491 28.738 0.040 0.000 1.201 470 Q HN 0.397 nan 8.270 nan 0.000 0.391 471 V N 5.440 125.334 119.914 -0.032 0.000 2.389 471 V HA 0.232 4.351 4.120 -0.000 0.000 0.264 471 V C 0.469 176.446 176.094 -0.195 0.000 1.049 471 V CA -0.000 62.203 62.300 -0.161 0.000 0.932 471 V CB 0.429 32.082 31.823 -0.283 0.000 1.011 471 V HN 0.951 nan 8.190 nan 0.000 0.475 472 T N 1.994 116.466 114.554 -0.136 0.000 2.907 472 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 472 T C 1.138 175.895 174.700 0.096 0.000 1.066 472 T CA -0.040 62.040 62.100 -0.034 0.000 1.012 472 T CB 2.094 70.962 68.868 0.000 0.000 1.184 472 T HN 0.523 nan 8.240 nan 0.000 0.522 473 A N 0.721 123.658 122.820 0.194 0.000 1.978 473 A HA 0.234 4.553 4.320 -0.000 0.000 0.220 473 A C 2.351 180.110 177.584 0.291 0.000 1.170 473 A CA 1.879 54.101 52.037 0.309 0.000 0.636 473 A CB -1.346 17.771 19.000 0.194 0.000 0.810 473 A HN 1.369 nan 8.150 nan 0.000 0.448 474 A N -1.965 120.934 122.820 0.132 0.000 2.275 474 A HA 0.507 4.826 4.320 -0.000 0.000 0.212 474 A C 1.166 178.657 177.584 -0.155 0.000 1.201 474 A CA 1.230 53.288 52.037 0.036 0.000 0.843 474 A CB -0.581 18.422 19.000 0.005 0.000 0.873 474 A HN 1.937 nan 8.150 nan 0.000 0.492 475 G N -1.587 107.016 108.800 -0.328 0.000 2.359 475 G HA2 0.199 4.159 3.960 -0.000 0.000 0.303 475 G HA3 0.199 4.159 3.960 -0.000 0.000 0.303 475 G C -1.011 173.599 174.900 -0.482 0.000 1.293 475 G CA -0.881 43.651 45.100 -0.947 0.000 0.964 475 G HN 0.379 nan 8.290 nan 0.000 0.531 476 L N 0.676 121.651 121.223 -0.412 0.000 2.331 476 L HA 0.537 4.877 4.340 -0.000 0.000 0.278 476 L C 0.614 177.453 176.870 -0.052 0.000 1.106 476 L CA -0.367 54.401 54.840 -0.120 0.000 0.824 476 L CB 1.330 43.351 42.059 -0.064 0.000 1.142 476 L HN 0.574 nan 8.230 nan 0.000 0.443 477 K N 2.896 123.298 120.400 0.003 0.000 2.274 477 K HA 0.571 4.891 4.320 -0.000 0.000 0.262 477 K C -0.651 175.970 176.600 0.036 0.000 0.961 477 K CA -0.352 55.940 56.287 0.009 0.000 0.833 477 K CB 1.526 34.022 32.500 -0.007 0.000 1.102 477 K HN 0.768 nan 8.250 nan 0.000 0.436 478 S N 1.806 117.522 115.700 0.027 0.000 2.794 478 S HA 0.252 4.722 4.470 -0.000 0.000 0.299 478 S C 0.122 174.710 174.600 -0.020 0.000 1.179 478 S CA -0.719 57.471 58.200 -0.018 0.000 0.838 478 S CB 0.935 64.115 63.200 -0.032 0.000 1.206 478 S HN 0.573 nan 8.310 nan 0.000 0.523 479 D N 1.689 122.064 120.400 -0.041 0.000 2.271 479 D HA -0.077 4.563 4.640 -0.000 0.000 0.207 479 D C 1.991 178.284 176.300 -0.011 0.000 0.983 479 D CA 1.935 55.918 54.000 -0.027 0.000 0.878 479 D CB -0.355 40.423 40.800 -0.036 0.000 0.920 479 D HN 0.605 nan 8.370 nan 0.000 0.479 480 S N -1.351 114.349 115.700 0.001 0.000 2.496 480 S HA 0.342 4.811 4.470 -0.000 0.000 0.224 480 S C 1.170 175.775 174.600 0.007 0.000 0.996 480 S CA 0.623 58.830 58.200 0.011 0.000 0.927 480 S CB 0.645 63.862 63.200 0.028 0.000 0.774 480 S HN 0.380 nan 8.310 nan 0.000 0.524 481 G N 0.508 109.311 108.800 0.005 0.000 2.278 481 G HA2 0.237 4.197 3.960 -0.000 0.000 0.265 481 G HA3 0.237 4.197 3.960 -0.000 0.000 0.265 481 G C -1.841 173.053 174.900 -0.010 0.000 1.329 481 G CA -0.462 44.636 45.100 -0.004 0.000 1.017 481 G HN 0.761 nan 8.290 nan 0.000 0.472 482 L N 0.733 121.940 121.223 -0.026 0.000 2.296 482 L HA 0.822 5.162 4.340 -0.000 0.000 0.286 482 L C 0.096 176.922 176.870 -0.075 0.000 1.023 482 L CA -0.674 54.134 54.840 -0.053 0.000 0.812 482 L CB 1.479 43.503 42.059 -0.057 0.000 1.223 482 L HN 0.664 nan 8.230 nan 0.000 0.421 483 K N 5.055 125.387 120.400 -0.113 0.000 2.389 483 K HA 0.706 5.025 4.320 -0.000 0.000 0.261 483 K C -0.560 175.886 176.600 -0.257 0.000 1.014 483 K CA -0.532 55.675 56.287 -0.133 0.000 0.920 483 K CB 1.137 33.578 32.500 -0.097 0.000 1.149 483 K HN 0.850 nan 8.250 nan 0.000 0.444 484 A N 3.626 126.323 122.820 -0.206 0.000 2.466 484 A HA 0.176 4.496 4.320 -0.000 0.000 0.238 484 A C -0.785 176.658 177.584 -0.236 0.000 1.074 484 A CA -0.003 51.881 52.037 -0.256 0.000 0.774 484 A CB -0.031 18.911 19.000 -0.096 0.000 1.015 484 A HN 0.661 nan 8.150 nan 0.000 0.498 485 Y N -0.167 120.156 120.300 0.039 0.000 2.336 485 Y HA 0.392 4.941 4.550 -0.001 0.000 0.331 485 Y C 1.031 176.978 175.900 0.079 0.000 1.211 485 Y CA 0.049 58.181 58.100 0.054 0.000 1.346 485 Y CB 0.824 39.325 38.460 0.067 0.000 1.271 485 Y HN 0.666 nan 8.280 nan 0.000 0.538 486 A N 2.172 125.156 122.820 0.273 0.000 3.078 486 A HA 0.701 5.021 4.320 -0.000 0.000 0.279 486 A C -0.042 177.685 177.584 0.239 0.000 1.594 486 A CA 0.226 52.395 52.037 0.221 0.000 1.301 486 A CB -1.249 17.881 19.000 0.215 0.000 1.162 486 A HN 0.759 nan 8.150 nan 0.000 0.585 487 A N 0.255 123.190 122.820 0.191 0.000 2.606 487 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 487 A C -0.424 177.204 177.584 0.073 0.000 1.082 487 A CA -0.001 52.105 52.037 0.115 0.000 0.685 487 A CB 0.927 20.031 19.000 0.173 0.000 1.284 487 A HN 1.773 nan 8.150 nan 0.000 0.408 488 A N 0.562 123.371 122.820 -0.019 0.000 2.318 488 A HA 0.787 5.107 4.320 -0.000 0.000 0.324 488 A C -0.290 177.318 177.584 0.041 0.000 1.170 488 A CA -0.357 51.679 52.037 -0.002 0.000 0.810 488 A CB 0.664 19.625 19.000 -0.065 0.000 1.198 488 A HN 0.916 nan 8.150 nan 0.000 0.484 489 T N 2.025 116.634 114.554 0.093 0.000 2.840 489 T HA 0.611 4.961 4.350 -0.000 0.000 0.287 489 T C 0.600 175.344 174.700 0.073 0.000 0.991 489 T CA 0.066 62.246 62.100 0.134 0.000 0.964 489 T CB 1.576 70.525 68.868 0.136 0.000 0.954 489 T HN 0.999 nan 8.240 nan 0.000 0.438 490 G N 1.484 110.325 108.800 0.069 0.000 2.531 490 G HA2 0.754 4.713 3.960 -0.000 0.000 0.281 490 G HA3 0.754 4.713 3.960 -0.000 0.000 0.281 490 G C 0.208 175.127 174.900 0.032 0.000 1.382 490 G CA -0.279 44.848 45.100 0.045 0.000 1.045 490 G HN 0.890 nan 8.290 nan 0.000 0.533 491 G N -1.937 106.879 108.800 0.027 0.000 3.257 491 G HA2 0.419 4.379 3.960 -0.000 0.000 0.205 491 G HA3 0.419 4.379 3.960 -0.000 0.000 0.205 491 G C 0.026 174.938 174.900 0.021 0.000 1.234 491 G CA -0.065 45.046 45.100 0.017 0.000 0.918 491 G HN 0.318 nan 8.290 nan 0.000 0.602 492 D N 0.092 120.502 120.400 0.017 0.000 2.350 492 D HA 0.076 4.716 4.640 -0.000 0.000 0.216 492 D C 1.507 177.823 176.300 0.027 0.000 0.968 492 D CA 0.836 54.849 54.000 0.020 0.000 0.894 492 D CB -0.062 40.747 40.800 0.015 0.000 0.909 492 D HN 0.346 nan 8.370 nan 0.000 0.520 493 G N -0.039 108.777 108.800 0.027 0.000 2.535 493 G HA2 0.185 4.145 3.960 -0.000 0.000 0.303 493 G HA3 0.185 4.145 3.960 -0.000 0.000 0.303 493 G C -0.493 174.428 174.900 0.036 0.000 1.237 493 G CA -0.538 44.579 45.100 0.029 0.000 0.986 493 G HN -0.167 nan 8.290 nan 0.000 0.494 494 D N 1.177 121.598 120.400 0.036 0.000 2.374 494 D HA 0.243 4.882 4.640 -0.000 0.000 0.240 494 D C -0.284 176.039 176.300 0.037 0.000 1.229 494 D CA 0.265 54.290 54.000 0.041 0.000 0.895 494 D CB 0.808 41.632 40.800 0.039 0.000 1.046 494 D HN 0.123 nan 8.370 nan 0.000 0.498 495 D N 0.763 121.187 120.400 0.041 0.000 2.181 495 D HA 0.277 4.917 4.640 -0.000 0.000 0.248 495 D C -0.037 176.284 176.300 0.035 0.000 1.020 495 D CA -0.584 53.437 54.000 0.035 0.000 0.891 495 D CB 2.386 43.207 40.800 0.035 0.000 1.187 495 D HN -0.026 nan 8.370 nan 0.000 0.443 496 V N 2.656 122.586 119.914 0.026 0.000 2.328 496 V HA 0.286 4.406 4.120 -0.000 0.000 0.278 496 V C 0.037 176.137 176.094 0.010 0.000 1.021 496 V CA -0.607 61.706 62.300 0.022 0.000 0.838 496 V CB 0.922 32.755 31.823 0.017 0.000 0.999 496 V HN 0.285 nan 8.190 nan 0.000 0.447 497 L N 5.159 126.383 121.223 0.003 0.000 2.298 497 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 497 L C -0.204 176.635 176.870 -0.050 0.000 1.013 497 L CA -0.270 54.554 54.840 -0.027 0.000 0.824 497 L CB 1.700 43.733 42.059 -0.044 0.000 1.221 497 L HN 0.614 nan 8.230 nan 0.000 0.418 498 Q N 2.563 122.331 119.800 -0.054 0.000 2.325 498 Q HA 0.606 4.946 4.340 -0.000 0.000 0.262 498 Q C -0.338 175.592 176.000 -0.116 0.000 0.968 498 Q CA -0.614 55.148 55.803 -0.068 0.000 0.877 498 Q CB 1.991 30.711 28.738 -0.030 0.000 1.253 498 Q HN 0.749 nan 8.270 nan 0.000 0.448 499 A N 4.285 126.977 122.820 -0.213 0.000 2.520 499 A HA 0.214 4.534 4.320 -0.000 0.000 0.245 499 A C -0.266 177.228 177.584 -0.151 0.000 1.072 499 A CA 0.121 51.966 52.037 -0.319 0.000 0.761 499 A CB 0.280 18.845 19.000 -0.725 0.000 1.004 499 A HN 0.868 nan 8.150 nan 0.000 0.499 500 R N 1.341 121.798 120.500 -0.071 0.000 2.549 500 R HA 0.334 4.674 4.340 -0.000 0.000 0.259 500 R C 1.712 178.100 176.300 0.147 0.000 1.095 500 R CA 0.190 56.317 56.100 0.046 0.000 1.148 500 R CB 0.567 30.894 30.300 0.045 0.000 1.181 500 R HN 0.885 nan 8.270 nan 0.000 0.571 501 S N -0.294 115.493 115.700 0.145 0.000 2.402 501 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 501 S C 1.049 175.609 174.600 -0.066 0.000 1.030 501 S CA 1.424 59.660 58.200 0.061 0.000 1.003 501 S CB -0.317 62.905 63.200 0.036 0.000 0.813 501 S HN 0.645 nan 8.310 nan 0.000 0.477 502 H N 0.628 119.742 119.070 0.073 0.000 2.672 502 H HA 0.404 4.960 4.556 -0.001 0.000 0.277 502 H C -0.724 174.635 175.328 0.052 0.000 1.074 502 H CA -0.603 55.478 56.048 0.054 0.000 1.173 502 H CB 0.097 29.877 29.762 0.030 0.000 1.558 502 H HN 0.281 nan 8.280 nan 0.000 0.539 503 D N 0.497 120.960 120.400 0.105 0.000 2.450 503 D HA 0.111 4.751 4.640 -0.000 0.000 0.247 503 D C 0.907 177.164 176.300 -0.071 0.000 1.162 503 D CA 0.261 54.261 54.000 -0.001 0.000 0.879 503 D CB 1.498 42.222 40.800 -0.127 0.000 1.163 503 D HN 0.417 nan 8.370 nan 0.000 0.472 504 A N 3.087 125.874 122.820 -0.056 0.000 2.197 504 A HA 0.162 4.481 4.320 -0.000 0.000 0.210 504 A C -0.317 176.885 177.584 -0.636 0.000 1.180 504 A CA 0.027 51.898 52.037 -0.278 0.000 0.846 504 A CB 0.265 19.156 19.000 -0.182 0.000 0.884 504 A HN 0.528 nan 8.150 nan 0.000 0.487 505 W N -1.155 119.890 121.300 -0.425 0.000 3.032 505 W HA 0.692 5.352 4.660 -0.000 0.000 0.335 505 W C -0.945 175.069 176.519 -0.841 0.000 1.154 505 W CA -0.602 56.304 57.345 -0.731 0.000 1.204 505 W CB 1.051 29.936 29.460 -0.958 0.000 1.416 505 W HN -0.162 nan 8.180 nan 0.000 0.521 506 L N 2.817 123.590 121.223 -0.750 0.000 2.376 506 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 506 L C -1.345 175.148 176.870 -0.628 0.000 0.987 506 L CA -0.825 53.649 54.840 -0.611 0.000 0.828 506 L CB 1.112 42.845 42.059 -0.543 0.000 1.249 506 L HN 0.243 nan 8.230 nan 0.000 0.409 507 F N 1.141 121.010 119.950 -0.135 0.000 2.382 507 F HA 0.377 4.903 4.527 -0.000 0.000 0.361 507 F C 1.162 176.919 175.800 -0.072 0.000 1.109 507 F CA -0.747 57.172 58.000 -0.134 0.000 1.031 507 F CB 1.669 40.554 39.000 -0.191 0.000 1.234 507 F HN 0.525 nan 8.300 nan 0.000 0.445 508 G N 1.700 110.576 108.800 0.127 0.000 2.448 508 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.218 508 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.218 508 G C 0.731 175.686 174.900 0.091 0.000 1.135 508 G CA 0.309 45.466 45.100 0.095 0.000 0.784 508 G HN 0.620 nan 8.290 nan 0.000 0.543 509 N N -0.374 118.387 118.700 0.102 0.000 1.673 509 N HA -0.188 4.552 4.740 -0.000 0.000 0.120 509 N C 0.679 176.230 175.510 0.068 0.000 0.843 509 N CA 0.939 54.026 53.050 0.062 0.000 0.859 509 N CB -1.310 37.188 38.487 0.018 0.000 0.883 509 N HN 0.690 nan 8.380 nan 0.000 0.676 510 A N -0.088 122.761 122.820 0.047 0.000 2.386 510 A HA 0.542 4.862 4.320 -0.000 0.000 0.246 510 A C 1.181 178.799 177.584 0.056 0.000 1.089 510 A CA 1.316 53.384 52.037 0.052 0.000 0.790 510 A CB -0.543 18.478 19.000 0.035 0.000 1.042 510 A HN 1.914 nan 8.150 nan 0.000 0.497 511 G N 0.263 109.098 108.800 0.059 0.000 2.707 511 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.686 511 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.686 511 G C -0.772 174.172 174.900 0.074 0.000 1.315 511 G CA -0.337 44.798 45.100 0.058 0.000 0.832 511 G HN 1.044 nan 8.290 nan 0.000 0.573 512 N N 2.101 120.842 118.700 0.070 0.000 2.521 512 N HA 0.383 5.123 4.740 -0.000 0.000 0.236 512 N C -0.490 175.068 175.510 0.080 0.000 1.067 512 N CA -0.207 52.892 53.050 0.081 0.000 0.939 512 N CB 0.815 39.345 38.487 0.073 0.000 1.201 512 N HN 0.516 nan 8.380 nan 0.000 0.511 513 D N 0.352 120.808 120.400 0.093 0.000 2.326 513 D HA 0.360 5.000 4.640 -0.000 0.000 0.251 513 D C -0.106 176.252 176.300 0.097 0.000 1.023 513 D CA -0.092 53.959 54.000 0.086 0.000 0.966 513 D CB 1.507 42.359 40.800 0.086 0.000 1.156 513 D HN 0.153 nan 8.370 nan 0.000 0.494 514 T N 1.343 115.946 114.554 0.081 0.000 2.809 514 T HA 0.377 4.726 4.350 -0.000 0.000 0.296 514 T C -0.320 174.433 174.700 0.089 0.000 1.015 514 T CA -0.555 61.597 62.100 0.087 0.000 0.954 514 T CB 0.528 69.429 68.868 0.056 0.000 0.950 514 T HN 0.014 nan 8.240 nan 0.000 0.450 515 L N 4.571 125.881 121.223 0.146 0.000 2.276 515 L HA 0.549 4.888 4.340 -0.000 0.000 0.286 515 L C -0.298 176.715 176.870 0.239 0.000 1.024 515 L CA -0.242 54.689 54.840 0.153 0.000 0.826 515 L CB 0.873 43.069 42.059 0.228 0.000 1.211 515 L HN 0.624 nan 8.230 nan 0.000 0.422 516 I N 2.715 123.347 120.570 0.104 0.000 2.339 516 I HA 0.481 4.651 4.170 -0.000 0.000 0.290 516 I C 1.035 177.181 176.117 0.049 0.000 0.994 516 I CA -0.424 60.949 61.300 0.122 0.000 1.191 516 I CB 1.550 39.578 38.000 0.047 0.000 1.343 516 I HN 0.658 nan 8.210 nan 0.000 0.458 517 G N 4.839 113.763 108.800 0.206 0.000 2.553 517 G HA2 0.358 4.318 3.960 -0.000 0.000 0.278 517 G HA3 0.358 4.318 3.960 -0.000 0.000 0.278 517 G C -0.557 174.379 174.900 0.059 0.000 1.349 517 G CA -0.268 44.891 45.100 0.098 0.000 1.037 517 G HN 0.844 nan 8.290 nan 0.000 0.508 518 H N -3.936 115.137 119.070 0.005 0.000 2.946 518 H HA 0.622 5.178 4.556 -0.000 0.000 0.365 518 H C 1.013 176.329 175.328 -0.020 0.000 1.197 518 H CA -0.581 55.455 56.048 -0.021 0.000 1.131 518 H CB 1.683 31.410 29.762 -0.060 0.000 1.849 518 H HN 0.513 nan 8.280 nan 0.000 0.555 519 A N 1.135 123.989 122.820 0.055 0.000 1.986 519 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 519 A C 2.250 179.768 177.584 -0.110 0.000 1.171 519 A CA 1.824 53.843 52.037 -0.029 0.000 0.640 519 A CB -1.381 17.592 19.000 -0.044 0.000 0.811 519 A HN 0.899 nan 8.150 nan 0.000 0.451 520 G N -1.591 107.034 108.800 -0.292 0.000 2.598 520 G HA2 0.353 4.313 3.960 -0.000 0.000 0.215 520 G HA3 0.353 4.313 3.960 -0.000 0.000 0.215 520 G C 1.230 176.014 174.900 -0.194 0.000 1.131 520 G CA 0.764 45.675 45.100 -0.314 0.000 0.785 520 G HN 1.555 nan 8.290 nan 0.000 0.539 521 G N 0.927 109.695 108.800 -0.055 0.000 2.566 521 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.280 521 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.280 521 G C 0.472 175.377 174.900 0.008 0.000 1.225 521 G CA 0.223 45.343 45.100 0.034 0.000 0.966 521 G HN 1.013 nan 8.290 nan 0.000 0.560 522 N N -1.876 116.788 118.700 -0.061 0.000 2.721 522 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 522 N C -0.218 175.183 175.510 -0.182 0.000 1.072 522 N CA 1.602 54.580 53.050 -0.121 0.000 0.710 522 N CB -0.912 37.505 38.487 -0.117 0.000 0.993 522 N HN 1.180 nan 8.380 nan 0.000 0.547 523 L N 0.001 121.102 121.223 -0.204 0.000 2.346 523 L HA 0.511 4.851 4.340 -0.000 0.000 0.274 523 L C -0.076 176.495 176.870 -0.498 0.000 1.007 523 L CA -0.225 54.382 54.840 -0.389 0.000 0.818 523 L CB 1.930 43.718 42.059 -0.451 0.000 1.284 523 L HN 0.041 nan 8.230 nan 0.000 0.424 524 T N 5.159 119.286 114.554 -0.711 0.000 2.743 524 T HA 0.468 4.818 4.350 -0.000 0.000 0.292 524 T C -0.515 173.831 174.700 -0.590 0.000 0.972 524 T CA 0.154 61.858 62.100 -0.661 0.000 0.967 524 T CB -0.122 68.155 68.868 -0.985 0.000 0.926 524 T HN 0.253 nan 8.240 nan 0.000 0.459 525 F N 2.407 122.025 119.950 -0.553 0.000 2.411 525 F HA 0.471 4.998 4.527 -0.001 0.000 0.355 525 F C 0.250 175.851 175.800 -0.332 0.000 1.117 525 F CA -0.912 56.858 58.000 -0.383 0.000 1.139 525 F CB 1.085 39.938 39.000 -0.245 0.000 1.120 525 F HN 0.187 nan 8.300 nan 0.000 0.493 526 V N 3.582 123.418 119.914 -0.130 0.000 2.327 526 V HA 0.248 4.368 4.120 -0.000 0.000 0.272 526 V C 0.810 176.928 176.094 0.040 0.000 1.019 526 V CA -0.522 61.740 62.300 -0.064 0.000 0.814 526 V CB 0.838 32.692 31.823 0.051 0.000 1.040 526 V HN 1.030 nan 8.190 nan 0.000 0.440 527 G N 2.414 111.248 108.800 0.056 0.000 2.443 527 G HA2 0.345 4.304 3.960 -0.000 0.000 0.219 527 G HA3 0.345 4.304 3.960 -0.000 0.000 0.219 527 G C 0.949 175.946 174.900 0.162 0.000 1.131 527 G CA 0.975 46.160 45.100 0.142 0.000 0.775 527 G HN 1.436 nan 8.290 nan 0.000 0.547 528 G N -0.558 108.348 108.800 0.177 0.000 2.642 528 G HA2 0.008 3.967 3.960 -0.000 0.000 0.231 528 G HA3 0.008 3.967 3.960 -0.000 0.000 0.231 528 G C 0.461 175.491 174.900 0.217 0.000 1.338 528 G CA 0.500 45.713 45.100 0.189 0.000 0.883 528 G HN 1.543 nan 8.290 nan 0.000 0.570 529 S N 0.051 115.852 115.700 0.169 0.000 2.587 529 S HA 0.621 5.091 4.470 -0.000 0.000 0.260 529 S C 1.294 175.979 174.600 0.141 0.000 1.353 529 S CA 1.066 59.358 58.200 0.154 0.000 0.995 529 S CB 0.982 64.244 63.200 0.103 0.000 0.912 529 S HN 2.911 nan 8.310 nan 0.000 0.568 530 G N 0.600 109.473 108.800 0.121 0.000 2.795 530 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.664 530 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.664 530 G C -1.528 173.455 174.900 0.138 0.000 1.381 530 G CA -0.343 44.822 45.100 0.108 0.000 0.853 530 G HN 0.875 nan 8.290 nan 0.000 0.545 531 D N 1.789 122.260 120.400 0.118 0.000 2.428 531 D HA 0.447 5.086 4.640 -0.000 0.000 0.221 531 D C -0.121 176.266 176.300 0.144 0.000 1.123 531 D CA 0.044 54.123 54.000 0.132 0.000 0.869 531 D CB 0.836 41.695 40.800 0.098 0.000 1.032 531 D HN 0.374 nan 8.370 nan 0.000 0.506 532 D N 1.582 122.093 120.400 0.185 0.000 2.228 532 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 532 D C 0.436 176.855 176.300 0.198 0.000 0.995 532 D CA -0.503 53.608 54.000 0.185 0.000 0.903 532 D CB 2.287 43.211 40.800 0.207 0.000 1.205 532 D HN 0.212 nan 8.370 nan 0.000 0.459 533 I N 1.727 122.408 120.570 0.186 0.000 2.321 533 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 533 I C -0.340 175.915 176.117 0.230 0.000 0.998 533 I CA -0.563 60.865 61.300 0.214 0.000 1.227 533 I CB 0.966 39.068 38.000 0.170 0.000 1.368 533 I HN 0.047 nan 8.210 nan 0.000 0.466 534 L N 7.227 128.603 121.223 0.254 0.000 2.294 534 L HA 0.462 4.802 4.340 -0.000 0.000 0.283 534 L C -0.118 176.859 176.870 0.177 0.000 1.015 534 L CA -0.751 54.229 54.840 0.233 0.000 0.831 534 L CB 0.823 42.984 42.059 0.170 0.000 1.217 534 L HN 0.407 nan 8.230 nan 0.000 0.420 535 K N 3.323 123.850 120.400 0.211 0.000 2.296 535 K HA 0.312 4.632 4.320 -0.000 0.000 0.257 535 K C 0.256 176.959 176.600 0.170 0.000 1.088 535 K CA -0.249 56.138 56.287 0.167 0.000 0.980 535 K CB 1.667 34.234 32.500 0.112 0.000 1.430 535 K HN 0.767 nan 8.250 nan 0.000 0.441 536 G N 1.403 110.250 108.800 0.079 0.000 2.365 536 G HA2 0.307 4.266 3.960 -0.000 0.000 0.249 536 G HA3 0.307 4.266 3.960 -0.000 0.000 0.249 536 G C -0.292 174.717 174.900 0.181 0.000 1.288 536 G CA -0.201 44.989 45.100 0.150 0.000 0.887 536 G HN 0.246 nan 8.290 nan 0.000 0.524 537 V N 2.384 122.425 119.914 0.211 0.000 2.709 537 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 537 V C 0.925 177.086 176.094 0.112 0.000 1.062 537 V CA 0.463 62.849 62.300 0.144 0.000 0.901 537 V CB 0.858 32.769 31.823 0.147 0.000 1.003 537 V HN 1.773 nan 8.190 nan 0.000 0.425 538 G N 4.591 113.426 108.800 0.057 0.000 2.601 538 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.252 538 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.252 538 G C -0.552 174.348 174.900 -0.000 0.000 1.294 538 G CA 0.016 45.127 45.100 0.018 0.000 0.912 538 G HN 0.770 nan 8.290 nan 0.000 0.574 539 N N 0.691 119.375 118.700 -0.027 0.000 2.402 539 N HA 0.611 5.351 4.740 -0.000 0.000 0.294 539 N C 0.915 176.388 175.510 -0.062 0.000 1.203 539 N CA 0.896 53.915 53.050 -0.052 0.000 0.838 539 N CB 1.203 39.655 38.487 -0.059 0.000 1.306 539 N HN 2.207 nan 8.380 nan 0.000 0.510 540 G N 0.158 108.909 108.800 -0.081 0.000 2.160 540 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 540 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 540 G C -0.388 174.442 174.900 -0.116 0.000 1.008 540 G CA -0.245 44.800 45.100 -0.091 0.000 0.724 540 G HN 0.578 nan 8.290 nan 0.000 0.514 541 N N 0.367 118.995 118.700 -0.119 0.000 2.530 541 N HA 0.440 5.179 4.740 -0.000 0.000 0.277 541 N C -0.100 175.232 175.510 -0.297 0.000 1.168 541 N CA 0.450 53.368 53.050 -0.220 0.000 0.979 541 N CB 1.028 39.370 38.487 -0.243 0.000 1.141 541 N HN 0.148 nan 8.380 nan 0.000 0.459 542 T N 1.842 116.150 114.554 -0.411 0.000 2.807 542 T HA 0.477 4.827 4.350 -0.000 0.000 0.279 542 T C -0.498 173.898 174.700 -0.507 0.000 0.993 542 T CA -0.392 61.519 62.100 -0.316 0.000 0.970 542 T CB 0.256 68.971 68.868 -0.254 0.000 0.950 542 T HN 0.181 nan 8.240 nan 0.000 0.441 543 F N 3.138 123.035 119.950 -0.089 0.000 2.402 543 F HA 0.595 5.122 4.527 -0.000 0.000 0.355 543 F C -0.197 175.251 175.800 -0.586 0.000 1.123 543 F CA -1.116 56.726 58.000 -0.263 0.000 1.021 543 F CB 1.158 40.081 39.000 -0.128 0.000 1.160 543 F HN 0.259 nan 8.300 nan 0.000 0.451 544 L N 5.114 125.930 121.223 -0.678 0.000 2.322 544 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 544 L C -1.675 174.620 176.870 -0.958 0.000 1.014 544 L CA -0.740 53.736 54.840 -0.606 0.000 0.815 544 L CB 0.847 42.797 42.059 -0.182 0.000 1.247 544 L HN 0.397 nan 8.230 nan 0.000 0.421 545 F N 3.025 122.753 119.950 -0.370 0.000 2.561 545 F HA 0.680 5.207 4.527 -0.001 0.000 0.313 545 F C 0.023 175.689 175.800 -0.222 0.000 1.126 545 F CA -0.555 57.147 58.000 -0.497 0.000 0.918 545 F CB 2.283 40.529 39.000 -1.257 0.000 1.199 545 F HN 0.456 nan 8.300 nan 0.000 0.444 546 S N 1.587 117.392 115.700 0.175 0.000 2.540 546 S HA 0.759 5.229 4.470 -0.000 0.000 0.275 546 S C 0.083 174.893 174.600 0.350 0.000 1.123 546 S CA 0.211 58.559 58.200 0.246 0.000 0.907 546 S CB 1.337 64.643 63.200 0.177 0.000 1.081 546 S HN 1.551 nan 8.310 nan 0.000 0.476 547 G N 3.723 112.727 108.800 0.340 0.000 2.582 547 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.288 547 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.288 547 G C -0.973 174.119 174.900 0.320 0.000 1.247 547 G CA 0.346 45.628 45.100 0.303 0.000 0.972 547 G HN 0.764 nan 8.290 nan 0.000 0.557 548 D N 1.739 122.265 120.400 0.210 0.000 2.374 548 D HA 0.412 5.051 4.640 -0.000 0.000 0.240 548 D C 0.995 177.387 176.300 0.152 0.000 1.229 548 D CA 0.300 54.365 54.000 0.109 0.000 0.895 548 D CB -0.102 40.739 40.800 0.068 0.000 1.046 548 D HN 0.460 nan 8.370 nan 0.000 0.498 549 F N 0.090 120.129 119.950 0.148 0.000 2.653 549 F HA 0.427 4.954 4.527 -0.000 0.000 0.304 549 F C 1.086 176.987 175.800 0.169 0.000 1.092 549 F CA -0.281 57.827 58.000 0.179 0.000 1.279 549 F CB 0.019 39.179 39.000 0.265 0.000 1.044 549 F HN 0.373 nan 8.300 nan 0.000 0.564 550 G N 1.954 110.696 108.800 -0.097 0.000 2.598 550 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.244 550 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.244 550 G C -0.542 174.341 174.900 -0.028 0.000 1.302 550 G CA -0.530 44.560 45.100 -0.016 0.000 0.903 550 G HN 0.541 nan 8.290 nan 0.000 0.575 551 R N 0.945 121.489 120.500 0.073 0.000 2.310 551 R HA 0.455 4.795 4.340 -0.000 0.000 0.316 551 R C -1.334 175.061 176.300 0.158 0.000 1.004 551 R CA -0.778 55.376 56.100 0.090 0.000 0.900 551 R CB 1.114 31.445 30.300 0.053 0.000 1.152 551 R HN 0.469 nan 8.270 nan 0.000 0.513 552 D N 1.749 122.285 120.400 0.226 0.000 2.268 552 D HA 0.230 4.869 4.640 -0.000 0.000 0.249 552 D C -0.216 176.166 176.300 0.136 0.000 1.008 552 D CA -0.316 53.826 54.000 0.237 0.000 0.939 552 D CB 1.425 42.459 40.800 0.390 0.000 1.170 552 D HN 0.198 nan 8.370 nan 0.000 0.468 553 Q N 0.638 120.513 119.800 0.125 0.000 2.331 553 Q HA 0.516 4.856 4.340 -0.000 0.000 0.267 553 Q C -0.956 175.049 176.000 0.007 0.000 1.006 553 Q CA -0.651 55.166 55.803 0.023 0.000 0.818 553 Q CB 2.680 31.458 28.738 0.066 0.000 1.276 553 Q HN 0.307 nan 8.270 nan 0.000 0.450 554 L N 3.789 124.903 121.223 -0.181 0.000 2.316 554 L HA 0.482 4.822 4.340 -0.000 0.000 0.280 554 L C -1.604 175.079 176.870 -0.312 0.000 1.006 554 L CA -0.623 54.078 54.840 -0.232 0.000 0.836 554 L CB 0.617 42.448 42.059 -0.381 0.000 1.221 554 L HN 0.644 nan 8.230 nan 0.000 0.418 555 Y N 2.724 122.942 120.300 -0.136 0.000 2.387 555 Y HA 0.524 5.073 4.550 -0.001 0.000 0.330 555 Y C 1.283 177.146 175.900 -0.062 0.000 1.133 555 Y CA 0.238 58.296 58.100 -0.069 0.000 1.152 555 Y CB 2.005 40.454 38.460 -0.019 0.000 1.215 555 Y HN 0.746 nan 8.280 nan 0.000 0.466 556 G N 1.702 110.583 108.800 0.135 0.000 2.143 556 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 556 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 556 G C -0.189 174.764 174.900 0.089 0.000 0.991 556 G CA -0.426 44.738 45.100 0.107 0.000 0.689 556 G HN 0.517 nan 8.290 nan 0.000 0.522 557 F N 2.224 122.112 119.950 -0.103 0.000 2.529 557 F HA 0.470 4.997 4.527 -0.000 0.000 0.365 557 F C 0.668 176.449 175.800 -0.030 0.000 1.102 557 F CA 0.402 58.342 58.000 -0.101 0.000 1.271 557 F CB 0.558 39.438 39.000 -0.199 0.000 1.120 557 F HN 0.568 nan 8.300 nan 0.000 0.579 558 N N 3.024 121.408 118.700 -0.525 0.000 2.902 558 N HA 0.496 5.236 4.740 -0.000 0.000 0.268 558 N C -0.240 174.998 175.510 -0.453 0.000 1.450 558 N CA -0.341 52.511 53.050 -0.330 0.000 0.819 558 N CB 0.757 39.140 38.487 -0.174 0.000 1.540 558 N HN 0.451 nan 8.380 nan 0.000 0.545 559 A N -0.545 122.149 122.820 -0.211 0.000 2.178 559 A HA -0.073 4.246 4.320 -0.000 0.000 0.218 559 A C 1.627 179.121 177.584 -0.149 0.000 1.157 559 A CA 1.879 53.835 52.037 -0.134 0.000 0.689 559 A CB -1.182 17.782 19.000 -0.061 0.000 0.787 559 A HN 0.832 nan 8.150 nan 0.000 0.465 560 S N -0.959 114.627 115.700 -0.190 0.000 2.535 560 S HA 0.105 4.575 4.470 -0.000 0.000 0.214 560 S C 0.018 174.516 174.600 -0.170 0.000 0.980 560 S CA -0.267 57.848 58.200 -0.141 0.000 0.907 560 S CB -0.042 63.095 63.200 -0.106 0.000 0.790 560 S HN 0.368 nan 8.310 nan 0.000 0.510 561 D N 1.762 121.967 120.400 -0.324 0.000 2.388 561 D HA 0.466 5.106 4.640 -0.000 0.000 0.254 561 D C -0.452 175.801 176.300 -0.078 0.000 1.111 561 D CA -0.179 53.660 54.000 -0.268 0.000 0.993 561 D CB 1.085 41.602 40.800 -0.470 0.000 1.118 561 D HN 0.253 nan 8.370 nan 0.000 0.502 562 K N 0.501 121.007 120.400 0.177 0.000 2.464 562 K HA 0.505 4.824 4.320 -0.000 0.000 0.253 562 K C -1.432 175.390 176.600 0.370 0.000 0.933 562 K CA -0.626 55.812 56.287 0.252 0.000 0.801 562 K CB 1.263 33.820 32.500 0.095 0.000 1.271 562 K HN 0.286 nan 8.250 nan 0.000 0.430 563 L N 3.608 124.993 121.223 0.270 0.000 2.322 563 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 563 L C -0.885 175.905 176.870 -0.134 0.000 1.014 563 L CA -1.222 53.661 54.840 0.071 0.000 0.815 563 L CB 1.883 43.960 42.059 0.029 0.000 1.247 563 L HN 0.287 nan 8.230 nan 0.000 0.421 564 V N 3.424 123.146 119.914 -0.320 0.000 2.483 564 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 564 V C -0.835 174.985 176.094 -0.457 0.000 1.027 564 V CA -0.403 61.721 62.300 -0.294 0.000 0.855 564 V CB 1.659 33.407 31.823 -0.125 0.000 0.995 564 V HN 0.385 nan 8.190 nan 0.000 0.424 565 F N 5.352 125.265 119.950 -0.062 0.000 2.449 565 F HA 0.677 5.204 4.527 -0.000 0.000 0.342 565 F C 0.043 175.820 175.800 -0.039 0.000 1.127 565 F CA -0.608 57.333 58.000 -0.099 0.000 0.975 565 F CB 1.498 40.370 39.000 -0.213 0.000 1.146 565 F HN 0.230 nan 8.300 nan 0.000 0.444 566 I N 2.393 123.063 120.570 0.167 0.000 2.447 566 I HA 0.485 4.655 4.170 -0.000 0.000 0.287 566 I C 0.530 176.799 176.117 0.255 0.000 1.023 566 I CA -0.939 60.462 61.300 0.167 0.000 1.083 566 I CB 1.780 39.843 38.000 0.105 0.000 1.245 566 I HN 0.803 nan 8.210 nan 0.000 0.434 567 G N 3.841 112.852 108.800 0.352 0.000 2.314 567 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.292 567 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.292 567 G C 0.063 175.164 174.900 0.335 0.000 1.059 567 G CA 0.488 45.833 45.100 0.409 0.000 0.982 567 G HN 0.803 nan 8.290 nan 0.000 0.505 568 T N -2.597 112.159 114.554 0.338 0.000 2.952 568 T HA 0.679 5.029 4.350 -0.000 0.000 0.286 568 T C 0.215 175.158 174.700 0.405 0.000 1.024 568 T CA -0.706 61.608 62.100 0.357 0.000 1.029 568 T CB 2.113 71.148 68.868 0.279 0.000 1.094 568 T HN 0.329 nan 8.240 nan 0.000 0.515 569 E N 0.295 120.736 120.200 0.400 0.000 2.481 569 E HA 0.408 4.758 4.350 -0.000 0.000 0.263 569 E C 0.633 177.448 176.600 0.359 0.000 0.992 569 E CA 0.863 57.468 56.400 0.341 0.000 0.938 569 E CB 0.016 29.867 29.700 0.252 0.000 0.933 569 E HN 1.167 nan 8.360 nan 0.000 0.453 570 G N 0.806 109.673 108.800 0.111 0.000 2.911 570 G HA2 0.032 3.992 3.960 -0.000 0.000 0.686 570 G HA3 0.032 3.992 3.960 -0.000 0.000 0.686 570 G C 0.119 174.922 174.900 -0.161 0.000 1.136 570 G CA -0.361 44.705 45.100 -0.056 0.000 0.764 570 G HN 0.566 nan 8.290 nan 0.000 0.626 571 A N 1.172 123.779 122.820 -0.355 0.000 2.147 571 A HA 0.676 4.996 4.320 -0.000 0.000 0.211 571 A C 1.718 179.309 177.584 0.011 0.000 1.160 571 A CA 1.709 53.596 52.037 -0.249 0.000 0.781 571 A CB -0.007 18.815 19.000 -0.296 0.000 0.842 571 A HN 2.205 nan 8.150 nan 0.000 0.475 572 S N -0.375 115.328 115.700 0.004 0.000 2.564 572 S HA 0.401 4.871 4.470 -0.000 0.000 0.278 572 S C 1.118 175.843 174.600 0.208 0.000 1.333 572 S CA 0.145 58.382 58.200 0.061 0.000 1.048 572 S CB 1.084 64.243 63.200 -0.068 0.000 0.900 572 S HN 0.492 nan 8.310 nan 0.000 0.505 573 G N 3.063 111.946 108.800 0.138 0.000 3.233 573 G HA2 0.104 4.063 3.960 -0.000 0.000 0.234 573 G HA3 0.104 4.063 3.960 -0.000 0.000 0.234 573 G C 0.209 175.174 174.900 0.109 0.000 1.137 573 G CA -0.335 44.840 45.100 0.126 0.000 0.763 573 G HN 0.639 nan 8.290 nan 0.000 0.549 574 N N 0.943 119.721 118.700 0.130 0.000 2.476 574 N HA 0.176 4.916 4.740 -0.000 0.000 0.257 574 N C 0.899 176.500 175.510 0.152 0.000 0.970 574 N CA -0.757 52.351 53.050 0.097 0.000 0.938 574 N CB 1.453 39.970 38.487 0.050 0.000 1.144 574 N HN -0.099 nan 8.380 nan 0.000 0.500 575 I N 3.938 124.560 120.570 0.087 0.000 2.423 575 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 575 I C 2.272 178.446 176.117 0.094 0.000 1.151 575 I CA 1.093 62.423 61.300 0.050 0.000 1.421 575 I CB -0.110 37.883 38.000 -0.012 0.000 1.079 575 I HN 0.604 nan 8.210 nan 0.000 0.431 576 R N 0.213 120.744 120.500 0.052 0.000 2.152 576 R HA -0.185 4.155 4.340 -0.000 0.000 0.232 576 R C 1.489 177.777 176.300 -0.020 0.000 1.117 576 R CA 1.641 57.745 56.100 0.006 0.000 0.981 576 R CB -0.316 29.979 30.300 -0.008 0.000 0.870 576 R HN 0.364 nan 8.270 nan 0.000 0.451 577 D N -0.580 119.811 120.400 -0.015 0.000 2.310 577 D HA -0.142 4.497 4.640 -0.000 0.000 0.212 577 D C 0.814 176.920 176.300 -0.325 0.000 0.965 577 D CA 1.118 55.011 54.000 -0.180 0.000 0.879 577 D CB 0.008 40.648 40.800 -0.266 0.000 0.921 577 D HN 0.439 nan 8.370 nan 0.000 0.510 578 Y N 0.022 120.149 120.300 -0.288 0.000 2.462 578 Y HA 0.366 4.915 4.550 -0.000 0.000 0.261 578 Y C 1.028 176.743 175.900 -0.308 0.000 1.146 578 Y CA -0.407 57.445 58.100 -0.413 0.000 1.283 578 Y CB 0.506 38.530 38.460 -0.726 0.000 1.090 578 Y HN -0.187 nan 8.280 nan 0.000 0.526 579 A N 0.942 123.719 122.820 -0.071 0.000 2.306 579 A HA 0.655 4.975 4.320 -0.000 0.000 0.314 579 A C 0.045 177.581 177.584 -0.080 0.000 1.164 579 A CA -0.166 51.827 52.037 -0.074 0.000 0.822 579 A CB 0.255 19.222 19.000 -0.055 0.000 1.130 579 A HN 0.190 nan 8.150 nan 0.000 0.496 580 T N 0.095 114.604 114.554 -0.075 0.000 2.991 580 T HA 0.523 4.873 4.350 -0.000 0.000 0.303 580 T C -0.771 173.894 174.700 -0.058 0.000 1.015 580 T CA -0.648 61.411 62.100 -0.067 0.000 1.007 580 T CB 1.373 70.198 68.868 -0.070 0.000 1.034 580 T HN 0.599 nan 8.240 nan 0.000 0.446 581 Q N 2.079 121.849 119.800 -0.051 0.000 2.288 581 Q HA 0.334 4.674 4.340 -0.000 0.000 0.258 581 Q C -0.534 175.442 176.000 -0.041 0.000 0.957 581 Q CA 0.175 55.951 55.803 -0.045 0.000 0.919 581 Q CB 0.801 29.516 28.738 -0.039 0.000 1.185 581 Q HN 0.703 nan 8.270 nan 0.000 0.408 582 Q N 4.623 124.400 119.800 -0.040 0.000 2.607 582 Q HA 0.286 4.626 4.340 -0.000 0.000 0.247 582 Q C -0.479 175.504 176.000 -0.029 0.000 1.033 582 Q CA -0.593 55.189 55.803 -0.034 0.000 0.769 582 Q CB 0.773 29.489 28.738 -0.036 0.000 1.169 582 Q HN 0.775 nan 8.270 nan 0.000 0.508 583 N N 1.155 119.842 118.700 -0.023 0.000 1.222 583 N HA -0.224 4.516 4.740 -0.000 0.000 0.134 583 N C 0.054 175.555 175.510 -0.015 0.000 0.787 583 N CA 1.657 54.698 53.050 -0.016 0.000 0.929 583 N CB -0.722 37.757 38.487 -0.013 0.000 1.170 583 N HN 0.535 nan 8.380 nan 0.000 0.541 584 D N 1.829 122.222 120.400 -0.013 0.000 2.349 584 D HA 0.102 4.742 4.640 -0.000 0.000 0.224 584 D C -0.503 175.783 176.300 -0.024 0.000 1.029 584 D CA 0.754 54.749 54.000 -0.009 0.000 0.879 584 D CB -0.242 40.557 40.800 -0.002 0.000 0.906 584 D HN 0.281 nan 8.370 nan 0.000 0.528 585 D N 0.477 120.853 120.400 -0.039 0.000 2.248 585 D HA 0.271 4.911 4.640 -0.000 0.000 0.246 585 D C -0.355 175.907 176.300 -0.064 0.000 1.027 585 D CA -0.686 53.275 54.000 -0.065 0.000 0.853 585 D CB 2.468 43.220 40.800 -0.079 0.000 1.243 585 D HN -0.099 nan 8.370 nan 0.000 0.462 586 L N 2.128 123.301 121.223 -0.082 0.000 2.280 586 L HA 0.324 4.664 4.340 -0.000 0.000 0.287 586 L C -1.184 175.631 176.870 -0.092 0.000 1.023 586 L CA -0.591 54.200 54.840 -0.081 0.000 0.819 586 L CB 1.364 43.371 42.059 -0.086 0.000 1.212 586 L HN 0.093 nan 8.230 nan 0.000 0.420 587 V N 6.838 126.708 119.914 -0.074 0.000 2.383 587 V HA 0.358 4.478 4.120 -0.000 0.000 0.275 587 V C 0.094 176.150 176.094 -0.063 0.000 1.036 587 V CA -0.453 61.809 62.300 -0.064 0.000 0.889 587 V CB 1.262 33.053 31.823 -0.054 0.000 0.985 587 V HN 0.568 nan 8.190 nan 0.000 0.459 588 L N 5.191 126.390 121.223 -0.040 0.000 2.277 588 L HA 0.733 5.073 4.340 -0.000 0.000 0.284 588 L C 0.323 177.192 176.870 -0.003 0.000 1.028 588 L CA -0.345 54.464 54.840 -0.051 0.000 0.835 588 L CB 1.325 43.386 42.059 0.003 0.000 1.215 588 L HN 0.697 nan 8.230 nan 0.000 0.425 589 A N 3.567 126.299 122.820 -0.147 0.000 2.288 589 A HA 0.741 5.061 4.320 -0.000 0.000 0.320 589 A C -0.678 176.769 177.584 -0.230 0.000 1.217 589 A CA -0.253 51.732 52.037 -0.087 0.000 0.840 589 A CB 0.223 19.161 19.000 -0.104 0.000 1.179 589 A HN 0.636 nan 8.150 nan 0.000 0.504 590 F N 2.930 122.872 119.950 -0.012 0.000 2.627 590 F HA 0.454 4.980 4.527 -0.001 0.000 0.329 590 F C 1.424 177.180 175.800 -0.074 0.000 1.378 590 F CA 0.588 58.601 58.000 0.021 0.000 1.134 590 F CB 0.720 39.757 39.000 0.062 0.000 1.229 590 F HN 1.067 nan 8.300 nan 0.000 0.537 591 G N 0.969 109.751 108.800 -0.030 0.000 2.620 591 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.315 591 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.315 591 G C 0.855 175.634 174.900 -0.201 0.000 1.179 591 G CA 0.813 45.813 45.100 -0.167 0.000 0.971 591 G HN 0.550 nan 8.290 nan 0.000 0.544 592 H N 1.462 120.516 119.070 -0.027 0.000 2.547 592 H HA 0.443 4.998 4.556 -0.000 0.000 0.272 592 H C 1.406 176.658 175.328 -0.128 0.000 0.989 592 H CA 0.823 56.837 56.048 -0.056 0.000 1.214 592 H CB 0.133 29.872 29.762 -0.038 0.000 1.389 592 H HN 0.329 nan 8.280 nan 0.000 0.577 593 S N 0.211 115.834 115.700 -0.128 0.000 2.664 593 S HA 0.480 4.950 4.470 -0.000 0.000 0.304 593 S C -0.569 173.882 174.600 -0.247 0.000 1.099 593 S CA -1.013 56.913 58.200 -0.456 0.000 1.003 593 S CB 2.409 64.834 63.200 -1.292 0.000 1.092 593 S HN 0.455 nan 8.310 nan 0.000 0.525 594 Q N -1.021 118.663 119.800 -0.194 0.000 2.721 594 Q HA 0.701 5.041 4.340 -0.000 0.000 0.282 594 Q C -2.205 173.951 176.000 0.259 0.000 0.932 594 Q CA -0.940 54.961 55.803 0.163 0.000 0.816 594 Q CB 1.468 30.252 28.738 0.076 0.000 1.506 594 Q HN 0.492 nan 8.270 nan 0.000 0.399 595 V N 1.070 121.103 119.914 0.199 0.000 2.638 595 V HA 0.643 4.762 4.120 -0.000 0.000 0.306 595 V C -1.302 174.778 176.094 -0.023 0.000 1.052 595 V CA -0.091 62.236 62.300 0.045 0.000 0.885 595 V CB 2.274 33.972 31.823 -0.208 0.000 0.999 595 V HN 0.928 nan 8.190 nan 0.000 0.424 596 T N 8.260 122.782 114.554 -0.053 0.000 2.733 596 T HA 0.543 4.892 4.350 -0.000 0.000 0.294 596 T C -0.466 174.119 174.700 -0.191 0.000 0.956 596 T CA -0.111 61.925 62.100 -0.106 0.000 0.987 596 T CB 0.758 69.570 68.868 -0.093 0.000 0.920 596 T HN 0.443 nan 8.240 nan 0.000 0.470 597 L N 4.866 125.959 121.223 -0.215 0.000 2.268 597 L HA 0.389 4.729 4.340 -0.000 0.000 0.289 597 L C 0.014 176.745 176.870 -0.231 0.000 1.064 597 L CA -0.255 54.420 54.840 -0.275 0.000 0.824 597 L CB 0.070 41.928 42.059 -0.336 0.000 1.202 597 L HN 0.556 nan 8.230 nan 0.000 0.433 598 I N 3.494 123.877 120.570 -0.313 0.000 2.533 598 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 598 I C 1.334 177.366 176.117 -0.142 0.000 1.109 598 I CA 0.520 61.647 61.300 -0.287 0.000 1.412 598 I CB 0.513 38.174 38.000 -0.566 0.000 1.396 598 I HN 0.787 nan 8.210 nan 0.000 0.543 599 G N 4.053 112.807 108.800 -0.077 0.000 2.176 599 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.252 599 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.252 599 G C -0.105 174.800 174.900 0.009 0.000 1.024 599 G CA 0.081 45.170 45.100 -0.019 0.000 0.755 599 G HN 0.495 nan 8.290 nan 0.000 0.507 600 V N 0.539 120.453 119.914 0.001 0.000 2.680 600 V HA 0.830 4.950 4.120 -0.000 0.000 0.309 600 V C 0.541 176.668 176.094 0.055 0.000 1.052 600 V CA -0.085 62.245 62.300 0.050 0.000 0.908 600 V CB 2.064 33.902 31.823 0.025 0.000 1.001 600 V HN 1.009 nan 8.190 nan 0.000 0.431 601 S N 3.475 119.256 115.700 0.135 0.000 2.578 601 S HA 0.531 5.001 4.470 -0.000 0.000 0.301 601 S C 0.461 175.084 174.600 0.038 0.000 1.091 601 S CA -0.588 57.654 58.200 0.069 0.000 1.032 601 S CB 1.802 65.034 63.200 0.053 0.000 1.064 601 S HN 0.551 nan 8.310 nan 0.000 0.508 602 L N 1.539 122.749 121.223 -0.021 0.000 2.083 602 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 602 L C 1.784 178.633 176.870 -0.035 0.000 1.083 602 L CA 2.295 57.121 54.840 -0.024 0.000 0.752 602 L CB -0.975 41.061 42.059 -0.038 0.000 0.899 602 L HN 0.945 nan 8.230 nan 0.000 0.433 603 D N -2.812 117.516 120.400 -0.119 0.000 2.378 603 D HA -0.184 4.456 4.640 -0.000 0.000 0.227 603 D C 1.290 177.486 176.300 -0.173 0.000 1.012 603 D CA 1.067 54.968 54.000 -0.165 0.000 0.905 603 D CB -0.711 39.950 40.800 -0.231 0.000 0.895 603 D HN 0.575 nan 8.370 nan 0.000 0.532 604 H N -0.829 118.264 119.070 0.039 0.000 2.586 604 H HA 0.383 4.938 4.556 -0.001 0.000 0.273 604 H C 0.088 175.469 175.328 0.088 0.000 0.997 604 H CA -0.390 55.691 56.048 0.055 0.000 1.177 604 H CB 0.675 30.472 29.762 0.057 0.000 1.471 604 H HN 0.081 nan 8.280 nan 0.000 0.538 605 I N 2.114 122.791 120.570 0.179 0.000 2.339 605 I HA 0.122 4.292 4.170 -0.000 0.000 0.290 605 I C 0.247 176.439 176.117 0.125 0.000 0.994 605 I CA -0.697 60.714 61.300 0.185 0.000 1.191 605 I CB 1.347 39.447 38.000 0.166 0.000 1.343 605 I HN 0.142 nan 8.210 nan 0.000 0.458 606 S N 2.588 118.361 115.700 0.123 0.000 2.652 606 S HA 0.205 4.675 4.470 -0.000 0.000 0.270 606 S C 1.339 175.990 174.600 0.085 0.000 1.243 606 S CA -0.101 58.151 58.200 0.086 0.000 0.999 606 S CB 1.436 64.678 63.200 0.071 0.000 0.973 606 S HN 0.766 nan 8.310 nan 0.000 0.544 607 T N -0.435 114.158 114.554 0.064 0.000 2.665 607 T HA -0.211 4.138 4.350 -0.000 0.000 0.268 607 T C 1.125 175.865 174.700 0.068 0.000 1.035 607 T CA 1.619 63.756 62.100 0.061 0.000 1.151 607 T CB -1.107 67.790 68.868 0.048 0.000 0.862 607 T HN 0.833 nan 8.240 nan 0.000 0.438 608 D N 1.197 121.635 120.400 0.064 0.000 2.378 608 D HA -0.088 4.552 4.640 -0.000 0.000 0.227 608 D C 1.704 178.051 176.300 0.078 0.000 1.012 608 D CA 0.374 54.412 54.000 0.063 0.000 0.905 608 D CB -0.536 40.296 40.800 0.052 0.000 0.895 608 D HN 0.525 nan 8.370 nan 0.000 0.532 609 Q N -0.099 119.764 119.800 0.105 0.000 2.403 609 Q HA 0.171 4.511 4.340 -0.000 0.000 0.203 609 Q C -0.239 175.867 176.000 0.178 0.000 0.932 609 Q CA 0.194 56.090 55.803 0.156 0.000 0.945 609 Q CB 1.252 30.126 28.738 0.227 0.000 1.045 609 Q HN 0.134 nan 8.270 nan 0.000 0.511 610 V N 0.742 120.731 119.914 0.127 0.000 2.638 610 V HA 0.330 4.450 4.120 -0.000 0.000 0.306 610 V C -0.595 175.535 176.094 0.060 0.000 1.052 610 V CA -0.805 61.570 62.300 0.125 0.000 0.885 610 V CB 2.249 34.162 31.823 0.150 0.000 0.999 610 V HN -0.230 nan 8.190 nan 0.000 0.424 611 V N 6.083 126.003 119.914 0.010 0.000 2.448 611 V HA 0.518 4.638 4.120 -0.000 0.000 0.295 611 V C -0.447 175.645 176.094 -0.004 0.000 1.025 611 V CA -0.437 61.790 62.300 -0.122 0.000 0.859 611 V CB 1.780 33.320 31.823 -0.472 0.000 0.988 611 V HN 0.669 nan 8.190 nan 0.000 0.431 612 L N 5.204 126.433 121.223 0.010 0.000 2.318 612 L HA 0.825 5.165 4.340 -0.000 0.000 0.277 612 L C 0.238 177.139 176.870 0.051 0.000 1.008 612 L CA -0.013 54.876 54.840 0.082 0.000 0.846 612 L CB 1.331 43.433 42.059 0.071 0.000 1.220 612 L HN 0.779 nan 8.230 nan 0.000 0.423 613 A N 0.000 122.855 122.820 0.059 0.000 2.254 613 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 613 A CA 0.000 52.075 52.037 0.063 0.000 0.836 613 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 613 A HN 0.000 nan 8.150 nan 0.000 0.486