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 2w4t_1_C DATA FIRST_RESID 5 DATA SEQUENCE FSDPDFQYLA VDXXXXXXXQ TAAFDGKKNC WVPDEKEGFA SAEIQSSKGD DATA SEQUENCE EITVKIVADS STRTVKKDDI QSMNPPKFEK LEDMANMTYL NEASVLYNLR DATA SEQUENCE SRYTSGLIYT YSGLFCIAVN PYRRLPIYTD SVIAKYRGKR KTEIPPHLFS DATA SEQUENCE VADNAYQNMV TDRENQSCLI TGESGAGKTE NTKKVIMYLA KVXXXXXXXX DATA SEQUENCE XXXXXXXXXX XEDQIIQANP VLEAYGNAKT TRNNNSSRFG KFIRIHFGPT DATA SEQUENCE GKIAGADIET YLLEKSRVTY QQSAERNYHI FYQICSNAIP ELNDVMLVTP DATA SEQUENCE DSGLYSFINQ GCLTVDNIDD VEEFKLCDEA FDILGFTKEE KQSMFKCTAS DATA SEQUENCE ILHMGEMKFK QRPREEQAES DGTAEAEKVA FLCGINAGDL LKALLKPKXX DATA SEQUENCE XXXXXVTKGQ NMNQVVNSVG ALAKSLYDRM FNWLVRRVNK TLDTKAKRNY DATA SEQUENCE YIGVLDIAGF EIFDFNSFEQ LCINYTNERL QQFFNHHMFI LEQEEYKKEG DATA SEQUENCE IAWEFIDFGM DLQMCIDLIE KPMGILSILE EECMFPKADD KSFQDKLYQN DATA SEQUENCE HMGKNRMFTK PGKPTRPNQG PAHFELHHYA GNVPYSITGW LEKNKDPINE DATA SEQUENCE NVVALLGASK EPLVAEXXXX XXXXXXXXXX XXXXXXXXQT ISAVHRESLN DATA SEQUENCE KLMKNLYSTH PHFVRCIIPN ELKQPGLVDA ELVLHQLQCN GVLEGIRICR DATA SEQUENCE KGFPSRLIYS EFKQRYSILA PNAIPXXXXD GKTVSEKILA GLQMDPAEYR DATA SEQUENCE LGTTKVFFKA GVLGNLEEMR DERLSKIISM FQAHIRGYLI RKAYKKLQDQ DATA SEQUENCE RIGLSVIQRN IRKWLVLRNW QWWKLYSKVK P 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.702 175.800 -0.163 0.000 0.967 5 F CA 0.000 57.932 58.000 -0.113 0.000 1.383 5 F CB 0.000 38.961 39.000 -0.065 0.000 1.145 6 S N 0.724 116.252 115.700 -0.287 0.000 2.541 6 S HA -0.152 4.319 4.470 0.001 0.000 0.262 6 S C -0.385 174.084 174.600 -0.218 0.000 1.321 6 S CA 0.919 58.933 58.200 -0.311 0.000 1.243 6 S CB -1.586 61.418 63.200 -0.326 0.000 1.531 6 S HN 0.709 nan 8.310 nan 0.000 0.656 7 D N 1.503 121.823 120.400 -0.133 0.000 2.338 7 D HA 0.261 4.901 4.640 0.001 0.000 0.255 7 D C -1.544 174.698 176.300 -0.098 0.000 1.237 7 D CA -1.479 52.503 54.000 -0.030 0.000 0.883 7 D CB 0.788 41.639 40.800 0.085 0.000 1.087 7 D HN 0.126 nan 8.370 nan 0.000 0.485 8 P HA -0.221 nan 4.420 nan 0.000 0.217 8 P C 0.983 178.343 177.300 0.100 0.000 1.148 8 P CA 1.200 64.309 63.100 0.014 0.000 0.834 8 P CB 0.034 31.733 31.700 -0.001 0.000 0.783 9 D N -0.919 119.524 120.400 0.072 0.000 2.403 9 D HA -0.171 4.470 4.640 0.001 0.000 0.227 9 D C 0.899 177.327 176.300 0.213 0.000 0.995 9 D CA 0.469 54.513 54.000 0.073 0.000 0.928 9 D CB -0.809 39.995 40.800 0.007 0.000 0.887 9 D HN 0.271 nan 8.370 nan 0.000 0.529 10 F N 0.271 120.255 119.950 0.055 0.000 2.735 10 F HA 0.333 4.861 4.527 0.001 0.000 0.304 10 F C 1.526 177.412 175.800 0.144 0.000 1.119 10 F CA -1.132 56.935 58.000 0.112 0.000 1.280 10 F CB -0.114 38.952 39.000 0.110 0.000 0.994 10 F HN -0.262 nan 8.300 nan 0.000 0.520 11 Q N 1.295 121.423 119.800 0.546 0.000 2.002 11 Q HA -0.226 4.114 4.340 0.001 0.000 0.204 11 Q C 0.948 176.998 176.000 0.083 0.000 0.988 11 Q CA 2.049 58.034 55.803 0.304 0.000 0.843 11 Q CB -0.662 28.209 28.738 0.222 0.000 0.908 11 Q HN 0.648 nan 8.270 nan 0.000 0.420 12 Y N -0.500 119.771 120.300 -0.048 0.000 2.801 12 Y HA 0.382 4.933 4.550 0.001 0.000 0.318 12 Y C 0.437 176.301 175.900 -0.059 0.000 1.073 12 Y CA -0.486 57.577 58.100 -0.062 0.000 1.360 12 Y CB -0.486 37.976 38.460 0.003 0.000 1.220 12 Y HN 0.072 nan 8.280 nan 0.000 0.536 13 L N 0.239 121.537 121.223 0.126 0.000 2.953 13 L HA 0.573 4.914 4.340 0.001 0.000 0.258 13 L C 0.638 177.426 176.870 -0.136 0.000 1.100 13 L CA 0.193 55.076 54.840 0.071 0.000 0.971 13 L CB 0.420 42.657 42.059 0.297 0.000 1.474 13 L HN 0.271 nan 8.230 nan 0.000 0.540 14 A N 0.966 123.461 122.820 -0.542 0.000 2.304 14 A HA 0.533 4.854 4.320 0.001 0.000 0.323 14 A C -0.195 177.172 177.584 -0.363 0.000 1.195 14 A CA -0.413 51.358 52.037 -0.444 0.000 0.826 14 A CB 1.022 19.754 19.000 -0.446 0.000 1.184 14 A HN 0.027 nan 8.150 nan 0.000 0.496 15 V N 2.083 121.942 119.914 -0.092 0.000 2.557 15 V HA 0.190 4.310 4.120 0.001 0.000 0.301 15 V C 0.472 176.573 176.094 0.012 0.000 1.026 15 V CA -0.503 61.777 62.300 -0.033 0.000 1.137 15 V CB -0.525 31.316 31.823 0.030 0.000 0.917 15 V HN 0.929 nan 8.190 nan 0.000 0.484 25 T N 0.254 114.813 114.554 0.008 0.000 2.769 25 T HA 0.948 5.299 4.350 0.001 0.000 0.306 25 T C -0.672 174.051 174.700 0.038 0.000 1.400 25 T CA 0.551 62.658 62.100 0.012 0.000 1.007 25 T CB 1.462 70.338 68.868 0.014 0.000 1.392 25 T HN 1.301 nan 8.240 nan 0.000 0.500 26 A N 0.717 123.571 122.820 0.057 0.000 5.816 26 A HA 0.402 4.723 4.320 0.001 0.000 0.220 26 A C 0.720 178.382 177.584 0.130 0.000 2.436 26 A CA 0.153 52.237 52.037 0.079 0.000 0.699 26 A CB -1.881 17.154 19.000 0.058 0.000 0.823 26 A HN 2.650 nan 8.150 nan 0.000 0.327 27 A N -1.426 121.456 122.820 0.103 0.000 1.600 27 A HA 0.279 4.600 4.320 0.001 0.000 0.269 27 A C -0.016 177.682 177.584 0.191 0.000 1.116 27 A CA 2.239 54.337 52.037 0.102 0.000 1.028 27 A CB -1.569 17.472 19.000 0.068 0.000 1.026 27 A HN 2.386 nan 8.150 nan 0.000 0.277 28 F N 1.727 121.676 119.950 -0.002 0.000 3.055 28 F HA 0.318 4.846 4.527 0.001 0.000 0.358 28 F C -1.098 174.704 175.800 0.004 0.000 1.262 28 F CA -0.865 57.132 58.000 -0.004 0.000 1.172 28 F CB 1.212 40.219 39.000 0.011 0.000 1.503 28 F HN 0.417 nan 8.300 nan 0.000 0.621 29 D N 4.026 124.084 120.400 -0.570 0.000 2.392 29 D HA 0.272 4.913 4.640 0.001 0.000 0.228 29 D C 1.059 176.946 176.300 -0.689 0.000 1.074 29 D CA -0.012 53.724 54.000 -0.441 0.000 0.838 29 D CB 2.011 42.669 40.800 -0.237 0.000 1.067 29 D HN 0.857 nan 8.370 nan 0.000 0.511 30 G N 3.446 111.937 108.800 -0.516 0.000 2.653 30 G HA2 -0.216 3.745 3.960 0.001 0.000 0.212 30 G HA3 -0.216 3.745 3.960 0.001 0.000 0.212 30 G C 1.179 175.972 174.900 -0.179 0.000 1.138 30 G CA 0.473 45.381 45.100 -0.320 0.000 0.782 30 G HN 0.474 nan 8.290 nan 0.000 0.535 31 K N -0.802 119.484 120.400 -0.189 0.000 2.491 31 K HA 0.280 4.600 4.320 0.001 0.000 0.211 31 K C 1.877 178.402 176.600 -0.124 0.000 1.210 31 K CA 0.017 56.237 56.287 -0.112 0.000 1.003 31 K CB 0.255 32.714 32.500 -0.069 0.000 1.009 31 K HN 0.164 nan 8.250 nan 0.000 0.577 32 K N 0.181 120.475 120.400 -0.176 0.000 2.262 32 K HA 0.122 4.442 4.320 0.001 0.000 0.200 32 K C 0.173 176.670 176.600 -0.173 0.000 1.058 32 K CA 0.063 56.259 56.287 -0.151 0.000 0.974 32 K CB 0.272 32.685 32.500 -0.145 0.000 0.910 32 K HN 0.005 nan 8.250 nan 0.000 0.484 33 N N 0.539 119.082 118.700 -0.262 0.000 2.488 33 N HA 0.123 4.863 4.740 0.001 0.000 0.274 33 N C -1.464 173.922 175.510 -0.207 0.000 1.111 33 N CA -0.306 52.587 53.050 -0.262 0.000 0.974 33 N CB 1.019 39.277 38.487 -0.381 0.000 1.089 33 N HN 0.206 nan 8.380 nan 0.000 0.465 34 C N 3.822 123.010 119.300 -0.186 0.000 3.314 34 C HA 0.504 4.965 4.460 0.001 0.000 0.344 34 C C -1.871 173.019 174.990 -0.166 0.000 1.461 34 C CA -0.776 58.173 59.018 -0.115 0.000 1.249 34 C CB 0.327 28.039 27.740 -0.046 0.000 1.632 34 C HN 0.882 nan 8.230 nan 0.000 0.452 35 W N 2.251 123.521 121.300 -0.050 0.000 2.349 35 W HA 0.589 5.250 4.660 0.001 0.000 0.309 35 W C -0.036 176.542 176.519 0.099 0.000 1.083 35 W CA -0.406 56.956 57.345 0.028 0.000 1.224 35 W CB 1.541 30.992 29.460 -0.015 0.000 1.256 35 W HN 0.650 nan 8.180 nan 0.000 0.461 36 V N 2.509 122.598 119.914 0.291 0.000 2.495 36 V HA 0.656 4.777 4.120 0.001 0.000 0.298 36 V C -2.331 173.878 176.094 0.192 0.000 1.031 36 V CA -3.479 58.941 62.300 0.200 0.000 0.871 36 V CB 1.284 33.155 31.823 0.081 0.000 0.988 36 V HN 0.285 nan 8.190 nan 0.000 0.432 37 P HA 0.104 nan 4.420 nan 0.000 0.266 37 P C -0.725 176.500 177.300 -0.126 0.000 1.186 37 P CA 0.589 63.595 63.100 -0.157 0.000 0.767 37 P CB 0.472 32.100 31.700 -0.120 0.000 0.820 38 D N 1.195 121.464 120.400 -0.218 0.000 2.581 38 D HA 0.062 4.703 4.640 0.001 0.000 0.232 38 D C 0.665 176.890 176.300 -0.125 0.000 1.143 38 D CA -0.354 53.582 54.000 -0.107 0.000 0.881 38 D CB 1.807 42.589 40.800 -0.030 0.000 1.500 38 D HN 0.326 nan 8.370 nan 0.000 0.458 39 E N 1.896 122.055 120.200 -0.069 0.000 2.216 39 E HA -0.040 4.311 4.350 0.001 0.000 0.192 39 E C 1.237 177.815 176.600 -0.035 0.000 0.973 39 E CA 0.446 56.812 56.400 -0.058 0.000 0.851 39 E CB 0.352 30.028 29.700 -0.040 0.000 0.804 39 E HN 0.377 nan 8.360 nan 0.000 0.477 40 K N 0.526 120.915 120.400 -0.018 0.000 2.078 40 K HA -0.010 4.310 4.320 0.001 0.000 0.203 40 K C 1.983 178.594 176.600 0.019 0.000 1.043 40 K CA 0.689 56.976 56.287 0.001 0.000 0.960 40 K CB 0.305 32.809 32.500 0.008 0.000 0.761 40 K HN -0.146 nan 8.250 nan 0.000 0.448 41 E N -0.398 119.824 120.200 0.037 0.000 2.479 41 E HA 0.034 4.385 4.350 0.001 0.000 0.193 41 E C 0.855 177.528 176.600 0.122 0.000 1.049 41 E CA 0.629 57.085 56.400 0.093 0.000 0.870 41 E CB 0.785 30.566 29.700 0.135 0.000 0.944 41 E HN 0.594 nan 8.360 nan 0.000 0.492 42 G N 0.497 109.292 108.800 -0.008 0.000 2.550 42 G HA2 -0.315 3.646 3.960 0.001 0.000 0.233 42 G HA3 -0.315 3.646 3.960 0.001 0.000 0.233 42 G C 0.293 174.813 174.900 -0.634 0.000 1.170 42 G CA 0.660 45.653 45.100 -0.179 0.000 0.693 42 G HN 0.247 nan 8.290 nan 0.000 0.512 43 F N 0.621 120.685 119.950 0.192 0.000 2.628 43 F HA 0.738 5.266 4.527 0.001 0.000 0.309 43 F C 0.132 176.098 175.800 0.275 0.000 1.108 43 F CA -0.303 57.872 58.000 0.292 0.000 0.971 43 F CB 2.118 41.406 39.000 0.479 0.000 1.279 43 F HN 0.568 nan 8.300 nan 0.000 0.441 44 A N 0.903 123.917 122.820 0.324 0.000 2.374 44 A HA 0.715 5.036 4.320 0.001 0.000 0.317 44 A C -0.572 176.973 177.584 -0.064 0.000 1.094 44 A CA -0.763 51.340 52.037 0.111 0.000 0.765 44 A CB 1.162 20.195 19.000 0.055 0.000 1.268 44 A HN 0.852 nan 8.150 nan 0.000 0.438 45 S N 1.129 116.703 115.700 -0.210 0.000 2.443 45 S HA 0.580 5.051 4.470 0.001 0.000 0.284 45 S C 0.132 174.613 174.600 -0.199 0.000 1.206 45 S CA 0.165 58.146 58.200 -0.365 0.000 1.074 45 S CB 0.381 63.381 63.200 -0.333 0.000 0.963 45 S HN 1.777 nan 8.310 nan 0.000 0.501 46 A N 2.536 125.240 122.820 -0.194 0.000 2.384 46 A HA 0.791 5.112 4.320 0.001 0.000 0.312 46 A C -0.276 177.234 177.584 -0.123 0.000 1.113 46 A CA -0.780 51.189 52.037 -0.114 0.000 0.779 46 A CB 1.403 20.365 19.000 -0.064 0.000 1.307 46 A HN 0.854 nan 8.150 nan 0.000 0.436 47 E N 2.587 122.732 120.200 -0.092 0.000 2.220 47 E HA 0.286 4.636 4.350 0.001 0.000 0.256 47 E C -0.538 176.020 176.600 -0.069 0.000 0.881 47 E CA -0.612 55.732 56.400 -0.093 0.000 0.766 47 E CB 0.901 30.550 29.700 -0.084 0.000 1.187 47 E HN 0.807 nan 8.360 nan 0.000 0.419 48 I N 1.835 122.364 120.570 -0.069 0.000 2.815 48 I HA -0.007 4.164 4.170 0.001 0.000 0.291 48 I C 0.051 176.142 176.117 -0.043 0.000 1.209 48 I CA 0.277 61.547 61.300 -0.050 0.000 1.431 48 I CB 0.774 38.744 38.000 -0.049 0.000 1.351 48 I HN 0.583 nan 8.210 nan 0.000 0.585 49 Q N 3.843 123.623 119.800 -0.033 0.000 2.580 49 Q HA 0.205 4.546 4.340 0.001 0.000 0.239 49 Q C 0.348 176.334 176.000 -0.023 0.000 0.873 49 Q CA 0.538 56.324 55.803 -0.028 0.000 0.951 49 Q CB 0.663 29.387 28.738 -0.023 0.000 1.172 49 Q HN 0.845 nan 8.270 nan 0.000 0.616 50 S N 0.492 116.180 115.700 -0.020 0.000 2.562 50 S HA 0.385 4.855 4.470 0.001 0.000 0.274 50 S C -0.755 173.837 174.600 -0.014 0.000 1.160 50 S CA -0.382 57.809 58.200 -0.016 0.000 0.933 50 S CB 1.218 64.410 63.200 -0.014 0.000 1.100 50 S HN 0.257 nan 8.310 nan 0.000 0.468 51 S N 3.110 118.802 115.700 -0.013 0.000 2.669 51 S HA 0.721 5.192 4.470 0.001 0.000 0.270 51 S C -0.198 174.396 174.600 -0.009 0.000 1.225 51 S CA -0.464 57.730 58.200 -0.011 0.000 0.991 51 S CB 1.177 64.371 63.200 -0.011 0.000 0.987 51 S HN 0.837 nan 8.310 nan 0.000 0.552 52 K N -0.243 120.153 120.400 -0.007 0.000 2.938 52 K HA 0.362 4.683 4.320 0.001 0.000 0.222 52 K C 0.542 177.139 176.600 -0.005 0.000 1.423 52 K CA 0.411 56.694 56.287 -0.006 0.000 0.796 52 K CB -0.582 31.914 32.500 -0.007 0.000 1.293 52 K HN 1.302 nan 8.250 nan 0.000 0.501 53 G N 2.028 110.825 108.800 -0.005 0.000 4.886 53 G HA2 -0.374 3.587 3.960 0.001 0.000 0.305 53 G HA3 -0.374 3.587 3.960 0.001 0.000 0.305 53 G C 0.425 175.323 174.900 -0.004 0.000 1.483 53 G CA 0.675 45.772 45.100 -0.004 0.000 1.029 53 G HN 0.536 nan 8.290 nan 0.000 0.746 54 D N 0.336 120.734 120.400 -0.003 0.000 2.448 54 D HA 0.071 4.711 4.640 0.001 0.000 0.256 54 D C 0.175 176.473 176.300 -0.003 0.000 1.108 54 D CA 0.040 54.039 54.000 -0.002 0.000 0.848 54 D CB 0.306 41.105 40.800 -0.002 0.000 1.281 54 D HN 0.294 nan 8.370 nan 0.000 0.509 55 E N 1.926 122.124 120.200 -0.004 0.000 1.865 55 E HA 0.120 4.471 4.350 0.001 0.000 0.269 55 E C 0.025 176.622 176.600 -0.006 0.000 1.177 55 E CA -0.398 55.999 56.400 -0.004 0.000 0.932 55 E CB -0.067 29.630 29.700 -0.005 0.000 1.066 55 E HN 0.379 nan 8.360 nan 0.000 0.405 56 I N 1.343 121.910 120.570 -0.005 0.000 2.532 56 I HA 0.346 4.517 4.170 0.001 0.000 0.292 56 I C 0.068 176.179 176.117 -0.009 0.000 1.014 56 I CA -0.321 60.974 61.300 -0.008 0.000 1.340 56 I CB 1.589 39.585 38.000 -0.007 0.000 1.422 56 I HN 0.141 nan 8.210 nan 0.000 0.528 57 T N 5.210 119.757 114.554 -0.012 0.000 2.833 57 T HA 0.711 5.061 4.350 0.001 0.000 0.297 57 T C -0.210 174.479 174.700 -0.018 0.000 1.015 57 T CA -0.480 61.612 62.100 -0.013 0.000 0.963 57 T CB 0.626 69.487 68.868 -0.013 0.000 0.955 57 T HN 0.958 nan 8.240 nan 0.000 0.449 58 V N 0.649 120.552 119.914 -0.018 0.000 3.096 58 V HA 0.801 4.922 4.120 0.001 0.000 0.319 58 V C -0.335 175.744 176.094 -0.025 0.000 1.103 58 V CA -1.351 60.934 62.300 -0.025 0.000 1.016 58 V CB 1.777 33.585 31.823 -0.026 0.000 1.090 58 V HN 1.047 nan 8.190 nan 0.000 0.449 59 K N 1.742 122.122 120.400 -0.032 0.000 2.345 59 K HA 0.656 4.976 4.320 0.001 0.000 0.255 59 K C -0.731 175.848 176.600 -0.035 0.000 0.934 59 K CA -0.946 55.323 56.287 -0.029 0.000 0.801 59 K CB 1.704 34.187 32.500 -0.029 0.000 1.137 59 K HN 0.936 nan 8.250 nan 0.000 0.424 60 I N 3.348 123.902 120.570 -0.027 0.000 2.379 60 I HA 0.101 4.272 4.170 0.001 0.000 0.290 60 I C 0.665 176.765 176.117 -0.030 0.000 1.063 60 I CA -0.189 61.093 61.300 -0.029 0.000 1.351 60 I CB 1.245 39.235 38.000 -0.016 0.000 1.410 60 I HN 0.493 nan 8.210 nan 0.000 0.505 61 V N 5.878 125.767 119.914 -0.043 0.000 2.392 61 V HA -0.278 3.842 4.120 0.001 0.000 0.249 61 V C 2.498 178.582 176.094 -0.016 0.000 1.059 61 V CA 2.260 64.539 62.300 -0.035 0.000 1.051 61 V CB -1.410 30.382 31.823 -0.050 0.000 0.658 61 V HN 1.043 nan 8.190 nan 0.000 0.455 62 A N 0.143 122.956 122.820 -0.011 0.000 1.836 62 A HA -0.288 4.033 4.320 0.001 0.000 0.212 62 A C 2.211 179.797 177.584 0.004 0.000 1.243 62 A CA 1.923 53.962 52.037 0.004 0.000 0.620 62 A CB -0.969 18.038 19.000 0.011 0.000 0.889 62 A HN 0.497 nan 8.150 nan 0.000 0.463 63 D N -1.163 119.239 120.400 0.003 0.000 2.312 63 D HA -0.065 4.576 4.640 0.001 0.000 0.211 63 D C 0.602 176.901 176.300 -0.001 0.000 0.964 63 D CA 1.304 55.306 54.000 0.003 0.000 0.877 63 D CB 0.229 41.031 40.800 0.003 0.000 0.924 63 D HN 0.398 nan 8.370 nan 0.000 0.515 64 S N -0.793 114.904 115.700 -0.005 0.000 3.576 64 S HA -0.151 4.320 4.470 0.001 0.000 0.294 64 S C 0.083 174.678 174.600 -0.008 0.000 1.224 64 S CA 0.614 58.809 58.200 -0.008 0.000 0.866 64 S CB -1.675 61.522 63.200 -0.006 0.000 1.017 64 S HN 0.302 nan 8.310 nan 0.000 0.597 65 S N 0.544 116.240 115.700 -0.008 0.000 2.661 65 S HA 0.694 5.165 4.470 0.001 0.000 0.265 65 S C 0.242 174.835 174.600 -0.011 0.000 1.225 65 S CA 0.227 58.423 58.200 -0.008 0.000 0.986 65 S CB 1.648 64.844 63.200 -0.006 0.000 1.008 65 S HN 0.640 nan 8.310 nan 0.000 0.565 66 T N 0.238 114.786 114.554 -0.010 0.000 2.906 66 T HA 0.725 5.076 4.350 0.001 0.000 0.295 66 T C -1.332 173.362 174.700 -0.010 0.000 1.061 66 T CA -0.861 61.232 62.100 -0.011 0.000 1.000 66 T CB 0.832 69.694 68.868 -0.011 0.000 1.103 66 T HN 0.851 nan 8.240 nan 0.000 0.486 67 R N 0.206 120.699 120.500 -0.011 0.000 2.741 67 R HA 0.645 4.986 4.340 0.001 0.000 0.276 67 R C -1.284 175.010 176.300 -0.009 0.000 1.028 67 R CA -1.021 55.073 56.100 -0.009 0.000 0.865 67 R CB 0.447 30.742 30.300 -0.009 0.000 1.268 67 R HN 0.689 nan 8.270 nan 0.000 0.475 68 T N -1.233 113.316 114.554 -0.008 0.000 2.945 68 T HA 0.741 5.092 4.350 0.001 0.000 0.286 68 T C -0.009 174.689 174.700 -0.004 0.000 1.025 68 T CA -0.280 61.817 62.100 -0.006 0.000 1.039 68 T CB 1.708 70.573 68.868 -0.007 0.000 1.068 68 T HN 1.164 nan 8.240 nan 0.000 0.497 69 V N -1.261 118.652 119.914 -0.002 0.000 2.852 69 V HA 0.579 4.700 4.120 0.001 0.000 0.300 69 V C -0.332 175.765 176.094 0.005 0.000 1.205 69 V CA -1.456 60.846 62.300 0.003 0.000 0.940 69 V CB 1.341 33.170 31.823 0.010 0.000 1.047 69 V HN 1.270 nan 8.190 nan 0.000 0.429 70 K N 2.626 123.029 120.400 0.005 0.000 2.561 70 K HA 0.002 4.323 4.320 0.001 0.000 0.280 70 K C 1.143 177.748 176.600 0.009 0.000 0.975 70 K CA 0.721 57.011 56.287 0.005 0.000 1.024 70 K CB 0.671 33.174 32.500 0.006 0.000 0.883 70 K HN 0.949 nan 8.250 nan 0.000 0.496 71 K N 2.633 123.037 120.400 0.006 0.000 2.097 71 K HA -0.168 4.153 4.320 0.001 0.000 0.205 71 K C 1.100 177.708 176.600 0.012 0.000 1.050 71 K CA 1.770 58.061 56.287 0.007 0.000 0.938 71 K CB 0.076 32.578 32.500 0.003 0.000 0.718 71 K HN 0.645 nan 8.250 nan 0.000 0.442 72 D N 0.526 120.933 120.400 0.012 0.000 2.323 72 D HA -0.071 4.570 4.640 0.001 0.000 0.239 72 D C -0.064 176.252 176.300 0.026 0.000 1.129 72 D CA 0.529 54.538 54.000 0.016 0.000 0.865 72 D CB 0.242 41.048 40.800 0.011 0.000 0.913 72 D HN 0.253 nan 8.370 nan 0.000 0.517 73 D N 0.351 120.771 120.400 0.034 0.000 2.469 73 D HA 0.076 4.716 4.640 0.001 0.000 0.213 73 D C 0.939 177.289 176.300 0.083 0.000 1.135 73 D CA -0.262 53.770 54.000 0.054 0.000 0.834 73 D CB 1.195 42.019 40.800 0.040 0.000 1.009 73 D HN 0.350 nan 8.370 nan 0.000 0.507 74 I N -0.390 120.218 120.570 0.062 0.000 2.581 74 I HA 0.234 4.405 4.170 0.001 0.000 0.288 74 I C -0.284 175.874 176.117 0.068 0.000 1.047 74 I CA -0.142 61.203 61.300 0.074 0.000 1.374 74 I CB 1.024 39.044 38.000 0.034 0.000 1.423 74 I HN -0.339 nan 8.210 nan 0.000 0.549 75 Q N 3.982 123.843 119.800 0.102 0.000 2.342 75 Q HA 0.343 4.684 4.340 0.001 0.000 0.267 75 Q C -0.702 175.274 176.000 -0.039 0.000 1.038 75 Q CA -0.630 55.181 55.803 0.013 0.000 0.832 75 Q CB 1.955 30.685 28.738 -0.014 0.000 1.323 75 Q HN 0.896 nan 8.270 nan 0.000 0.448 76 S N 2.007 117.514 115.700 -0.322 0.000 2.457 76 S HA 0.182 4.653 4.470 0.001 0.000 0.294 76 S C 0.497 174.841 174.600 -0.427 0.000 1.201 76 S CA -0.432 57.371 58.200 -0.663 0.000 1.112 76 S CB -0.020 62.030 63.200 -1.915 0.000 1.018 76 S HN 0.676 nan 8.310 nan 0.000 0.511 77 M N 3.898 123.585 119.600 0.145 0.000 2.245 77 M HA 0.063 4.544 4.480 0.001 0.000 0.312 77 M C -0.230 176.275 176.300 0.342 0.000 1.070 77 M CA 0.576 56.180 55.300 0.507 0.000 1.162 77 M CB 0.241 32.960 32.600 0.198 0.000 1.448 77 M HN 0.663 nan 8.290 nan 0.000 0.446 78 N N 3.219 122.162 118.700 0.405 0.000 2.466 78 N HA 0.560 5.300 4.740 0.001 0.000 0.294 78 N C -2.640 172.980 175.510 0.184 0.000 1.129 78 N CA -1.207 52.046 53.050 0.338 0.000 0.931 78 N CB 0.902 39.531 38.487 0.236 0.000 1.193 78 N HN 0.415 nan 8.380 nan 0.000 0.500 79 P HA 0.200 nan 4.420 nan 0.000 0.274 79 P C -1.836 175.223 177.300 -0.403 0.000 1.231 79 P CA -1.079 61.628 63.100 -0.656 0.000 0.790 79 P CB 0.051 31.643 31.700 -0.180 0.000 0.951 80 P HA -0.171 nan 4.420 nan 0.000 0.227 80 P C 1.311 178.534 177.300 -0.128 0.000 1.145 80 P CA 1.331 64.289 63.100 -0.236 0.000 0.769 80 P CB -0.035 31.520 31.700 -0.242 0.000 0.769 81 K N -0.413 119.887 120.400 -0.167 0.000 2.152 81 K HA -0.110 4.211 4.320 0.001 0.000 0.206 81 K C 0.490 176.825 176.600 -0.443 0.000 1.048 81 K CA 1.108 57.220 56.287 -0.293 0.000 0.933 81 K CB -0.319 31.968 32.500 -0.354 0.000 0.721 81 K HN 0.091 nan 8.250 nan 0.000 0.447 82 F N 1.764 121.714 119.950 -0.000 0.000 2.975 82 F HA 0.244 4.771 4.527 0.001 0.000 0.311 82 F C 0.125 175.977 175.800 0.088 0.000 1.239 82 F CA -0.649 57.380 58.000 0.048 0.000 1.282 82 F CB 0.375 39.414 39.000 0.065 0.000 1.071 82 F HN -0.079 nan 8.300 nan 0.000 0.516 83 E N 1.759 122.059 120.200 0.165 0.000 2.338 83 E HA 0.040 4.390 4.350 0.001 0.000 0.272 83 E C 0.519 177.210 176.600 0.151 0.000 1.029 83 E CA -0.004 56.506 56.400 0.182 0.000 0.872 83 E CB 0.583 30.354 29.700 0.117 0.000 1.015 83 E HN 0.364 nan 8.360 nan 0.000 0.417 84 K N 2.163 122.650 120.400 0.146 0.000 3.003 84 K HA -0.198 4.123 4.320 0.001 0.000 0.257 84 K C 0.549 177.218 176.600 0.115 0.000 0.958 84 K CA 0.317 56.661 56.287 0.095 0.000 0.707 84 K CB -1.362 31.171 32.500 0.054 0.000 1.279 84 K HN 0.363 nan 8.250 nan 0.000 0.479 85 L N -0.732 120.592 121.223 0.168 0.000 2.559 85 L HA -0.001 4.339 4.340 0.001 0.000 0.282 85 L C 1.238 178.203 176.870 0.159 0.000 1.232 85 L CA 0.905 55.860 54.840 0.191 0.000 0.885 85 L CB 0.488 42.723 42.059 0.294 0.000 1.131 85 L HN 0.064 nan 8.230 nan 0.000 0.498 86 E N 1.348 121.649 120.200 0.168 0.000 2.107 86 E HA -0.053 4.298 4.350 0.001 0.000 0.191 86 E C 0.056 176.799 176.600 0.238 0.000 0.982 86 E CA 1.014 57.534 56.400 0.201 0.000 0.809 86 E CB 0.246 30.078 29.700 0.219 0.000 0.756 86 E HN 0.807 nan 8.360 nan 0.000 0.459 87 D N 0.138 120.662 120.400 0.207 0.000 2.471 87 D HA 0.097 4.738 4.640 0.001 0.000 0.245 87 D C 0.957 177.348 176.300 0.152 0.000 1.116 87 D CA -0.255 53.862 54.000 0.196 0.000 0.853 87 D CB 0.956 41.849 40.800 0.155 0.000 1.123 87 D HN -0.196 nan 8.370 nan 0.000 0.540 88 M N 2.230 121.901 119.600 0.117 0.000 2.460 88 M HA -0.033 4.448 4.480 0.001 0.000 0.263 88 M C 1.895 178.209 176.300 0.023 0.000 1.071 88 M CA 0.478 55.816 55.300 0.064 0.000 1.096 88 M CB -0.810 31.816 32.600 0.042 0.000 1.408 88 M HN 0.431 nan 8.290 nan 0.000 0.463 89 A N 0.931 123.782 122.820 0.052 0.000 2.121 89 A HA -0.105 4.216 4.320 0.001 0.000 0.218 89 A C 1.740 179.322 177.584 -0.004 0.000 1.154 89 A CA 1.140 53.194 52.037 0.027 0.000 0.679 89 A CB -0.586 18.446 19.000 0.054 0.000 0.795 89 A HN 0.499 nan 8.150 nan 0.000 0.458 90 N N -0.195 118.521 118.700 0.028 0.000 2.398 90 N HA 0.069 4.810 4.740 0.001 0.000 0.188 90 N C 0.131 175.542 175.510 -0.164 0.000 1.122 90 N CA 0.342 53.427 53.050 0.059 0.000 0.866 90 N CB 0.002 38.621 38.487 0.220 0.000 0.970 90 N HN 0.418 nan 8.380 nan 0.000 0.462 91 M N 0.165 119.531 119.600 -0.391 0.000 2.255 91 M HA 0.085 4.566 4.480 0.001 0.000 0.336 91 M C 2.006 177.904 176.300 -0.670 0.000 1.135 91 M CA 0.100 54.844 55.300 -0.926 0.000 1.145 91 M CB 0.578 32.897 32.600 -0.468 0.000 1.473 91 M HN 0.002 nan 8.290 nan 0.000 0.462 92 T N -0.721 113.386 114.554 -0.746 0.000 2.701 92 T HA -0.087 4.264 4.350 0.001 0.000 0.263 92 T C 0.314 174.664 174.700 -0.583 0.000 1.040 92 T CA 1.140 62.934 62.100 -0.510 0.000 1.147 92 T CB -0.239 68.416 68.868 -0.355 0.000 0.865 92 T HN 0.501 nan 8.240 nan 0.000 0.426 93 Y N 0.671 120.859 120.300 -0.187 0.000 2.328 93 Y HA 0.588 5.138 4.550 0.001 0.000 0.337 93 Y C 0.023 175.821 175.900 -0.170 0.000 0.966 93 Y CA -1.266 56.749 58.100 -0.140 0.000 1.136 93 Y CB 1.572 39.970 38.460 -0.104 0.000 1.170 93 Y HN 0.087 nan 8.280 nan 0.000 0.470 94 L N 5.423 126.643 121.223 -0.006 0.000 2.843 94 L HA 0.317 4.657 4.340 0.001 0.000 0.234 94 L C -0.819 176.011 176.870 -0.068 0.000 1.264 94 L CA -0.307 54.503 54.840 -0.050 0.000 1.052 94 L CB -0.344 41.695 42.059 -0.033 0.000 1.372 94 L HN 0.757 nan 8.230 nan 0.000 0.466 95 N N -2.396 116.213 118.700 -0.152 0.000 2.384 95 N HA 0.196 4.937 4.740 0.001 0.000 0.301 95 N C 0.615 175.894 175.510 -0.386 0.000 1.133 95 N CA -0.825 52.092 53.050 -0.222 0.000 0.853 95 N CB 1.008 39.346 38.487 -0.247 0.000 1.241 95 N HN -0.070 nan 8.380 nan 0.000 0.502 96 E N 0.220 120.213 120.200 -0.344 0.000 2.324 96 E HA -0.293 4.058 4.350 0.001 0.000 0.205 96 E C 1.187 177.294 176.600 -0.822 0.000 1.031 96 E CA 1.603 57.768 56.400 -0.392 0.000 0.836 96 E CB -0.327 29.274 29.700 -0.164 0.000 0.742 96 E HN 0.747 nan 8.360 nan 0.000 0.491 97 A N 0.456 122.471 122.820 -1.341 0.000 2.115 97 A HA 0.005 4.325 4.320 0.001 0.000 0.211 97 A C 2.281 178.834 177.584 -1.719 0.000 1.169 97 A CA 0.896 51.845 52.037 -1.813 0.000 0.787 97 A CB 0.026 17.719 19.000 -2.179 0.000 0.858 97 A HN 0.285 nan 8.150 nan 0.000 0.474 98 S N 0.396 115.405 115.700 -1.153 0.000 2.388 98 S HA -0.107 4.364 4.470 0.001 0.000 0.223 98 S C 1.910 176.362 174.600 -0.247 0.000 1.034 98 S CA 1.275 59.096 58.200 -0.632 0.000 0.963 98 S CB -1.280 61.714 63.200 -0.343 0.000 0.827 98 S HN 0.898 nan 8.310 nan 0.000 0.481 99 V N 1.061 120.821 119.914 -0.256 0.000 2.229 99 V HA -0.020 4.100 4.120 0.001 0.000 0.243 99 V C 2.485 178.536 176.094 -0.071 0.000 1.042 99 V CA 1.532 63.762 62.300 -0.117 0.000 1.000 99 V CB -1.436 30.318 31.823 -0.114 0.000 0.637 99 V HN 0.465 nan 8.190 nan 0.000 0.446 100 L N -1.052 120.103 121.223 -0.112 0.000 2.081 100 L HA -0.216 4.124 4.340 0.001 0.000 0.212 100 L C 2.677 179.593 176.870 0.077 0.000 1.080 100 L CA 2.679 57.512 54.840 -0.012 0.000 0.754 100 L CB -0.603 41.472 42.059 0.027 0.000 0.893 100 L HN 0.564 nan 8.230 nan 0.000 0.433 101 Y N 0.743 121.036 120.300 -0.010 0.000 2.220 101 Y HA -0.228 4.322 4.550 0.001 0.000 0.291 101 Y C 2.245 178.236 175.900 0.152 0.000 1.129 101 Y CA 2.011 60.237 58.100 0.210 0.000 1.161 101 Y CB -0.268 38.502 38.460 0.516 0.000 0.997 101 Y HN 0.223 nan 8.280 nan 0.000 0.522 102 N N 0.021 118.826 118.700 0.175 0.000 2.058 102 N HA -0.216 4.525 4.740 0.001 0.000 0.191 102 N C 1.839 177.344 175.510 -0.009 0.000 1.037 102 N CA 1.539 54.645 53.050 0.094 0.000 0.848 102 N CB -0.276 38.285 38.487 0.123 0.000 1.021 102 N HN 0.280 nan 8.380 nan 0.000 0.422 103 L N 0.952 122.173 121.223 -0.004 0.000 1.933 103 L HA -0.219 4.122 4.340 0.001 0.000 0.220 103 L C 2.550 179.420 176.870 0.001 0.000 1.078 103 L CA 1.385 56.221 54.840 -0.007 0.000 0.773 103 L CB -0.458 41.590 42.059 -0.019 0.000 0.890 103 L HN 0.199 nan 8.230 nan 0.000 0.434 104 R N -0.537 119.949 120.500 -0.023 0.000 2.204 104 R HA -0.212 4.129 4.340 0.001 0.000 0.253 104 R C 2.305 178.584 176.300 -0.035 0.000 1.172 104 R CA 1.875 57.969 56.100 -0.011 0.000 0.994 104 R CB -0.083 30.201 30.300 -0.026 0.000 0.874 104 R HN 0.373 nan 8.270 nan 0.000 0.462 105 S N -0.248 115.350 115.700 -0.170 0.000 2.345 105 S HA -0.092 4.378 4.470 0.001 0.000 0.220 105 S C 1.724 176.290 174.600 -0.056 0.000 1.031 105 S CA 1.199 59.278 58.200 -0.201 0.000 0.996 105 S CB -0.143 62.865 63.200 -0.320 0.000 0.882 105 S HN 0.408 nan 8.310 nan 0.000 0.445 106 R N 0.116 120.601 120.500 -0.024 0.000 2.088 106 R HA -0.130 4.210 4.340 0.001 0.000 0.232 106 R C 2.248 178.548 176.300 0.001 0.000 1.136 106 R CA 1.806 57.900 56.100 -0.010 0.000 0.926 106 R CB -0.882 29.418 30.300 -0.000 0.000 0.837 106 R HN 0.422 nan 8.270 nan 0.000 0.429 107 Y N 2.271 122.531 120.300 -0.067 0.000 2.029 107 Y HA -0.346 4.205 4.550 0.001 0.000 0.269 107 Y C 2.356 178.238 175.900 -0.031 0.000 1.201 107 Y CA 2.349 60.419 58.100 -0.049 0.000 1.115 107 Y CB -0.784 37.655 38.460 -0.035 0.000 0.945 107 Y HN 0.244 nan 8.280 nan 0.000 0.497 108 T N -2.802 111.798 114.554 0.076 0.000 3.320 108 T HA 0.003 4.353 4.350 0.001 0.000 0.258 108 T C 0.991 175.641 174.700 -0.083 0.000 1.176 108 T CA 0.931 63.024 62.100 -0.012 0.000 1.037 108 T CB -0.497 68.424 68.868 0.087 0.000 0.958 108 T HN 0.311 nan 8.240 nan 0.000 0.545 109 S N -0.760 114.864 115.700 -0.126 0.000 2.847 109 S HA 0.554 5.024 4.470 0.001 0.000 0.254 109 S C 1.582 176.103 174.600 -0.132 0.000 1.039 109 S CA -0.205 57.938 58.200 -0.095 0.000 1.113 109 S CB 0.714 63.877 63.200 -0.062 0.000 1.092 109 S HN 0.838 nan 8.310 nan 0.000 0.620 110 G N 1.692 110.360 108.800 -0.219 0.000 2.279 110 G HA2 -0.204 3.757 3.960 0.001 0.000 0.223 110 G HA3 -0.204 3.757 3.960 0.001 0.000 0.223 110 G C 0.008 174.679 174.900 -0.381 0.000 1.015 110 G CA -0.420 44.550 45.100 -0.217 0.000 0.621 110 G HN 0.425 nan 8.290 nan 0.000 0.506 111 L N 2.667 123.703 121.223 -0.312 0.000 2.385 111 L HA 0.354 4.694 4.340 0.001 0.000 0.281 111 L C 1.848 178.604 176.870 -0.191 0.000 1.106 111 L CA -0.087 54.565 54.840 -0.314 0.000 0.856 111 L CB 0.608 42.571 42.059 -0.161 0.000 1.186 111 L HN 0.480 nan 8.230 nan 0.000 0.453 112 I N 2.047 122.496 120.570 -0.202 0.000 4.082 112 I HA 0.113 4.284 4.170 0.001 0.000 0.337 112 I C -0.416 175.717 176.117 0.028 0.000 1.352 112 I CA 0.101 61.393 61.300 -0.013 0.000 1.097 112 I CB -0.013 38.006 38.000 0.031 0.000 1.048 112 I HN 0.357 nan 8.210 nan 0.000 0.393 113 Y N 2.254 122.476 120.300 -0.129 0.000 2.352 113 Y HA 0.668 5.219 4.550 0.001 0.000 0.339 113 Y C -0.998 174.819 175.900 -0.138 0.000 0.992 113 Y CA -0.272 57.740 58.100 -0.147 0.000 1.100 113 Y CB 1.579 39.954 38.460 -0.141 0.000 1.192 113 Y HN 0.046 nan 8.280 nan 0.000 0.458 114 T N 5.511 119.488 114.554 -0.961 0.000 3.041 114 T HA 0.304 4.655 4.350 0.001 0.000 0.321 114 T C -1.716 172.527 174.700 -0.761 0.000 1.184 114 T CA -0.669 61.082 62.100 -0.582 0.000 1.050 114 T CB 0.511 69.247 68.868 -0.219 0.000 1.159 114 T HN 0.412 nan 8.240 nan 0.000 0.469 115 Y N 1.657 121.819 120.300 -0.229 0.000 2.310 115 Y HA 0.452 5.003 4.550 0.001 0.000 0.326 115 Y C 1.215 177.109 175.900 -0.010 0.000 1.151 115 Y CA -0.659 57.386 58.100 -0.092 0.000 1.195 115 Y CB 1.242 39.727 38.460 0.042 0.000 1.210 115 Y HN 0.637 nan 8.280 nan 0.000 0.483 116 S N 1.460 117.275 115.700 0.192 0.000 2.222 116 S HA 0.630 5.100 4.470 0.001 0.000 0.173 116 S C 0.478 175.205 174.600 0.212 0.000 1.466 116 S CA -0.168 58.126 58.200 0.157 0.000 1.184 116 S CB -0.153 63.121 63.200 0.123 0.000 1.168 116 S HN 1.337 nan 8.310 nan 0.000 0.475 117 G N 2.599 111.513 108.800 0.190 0.000 2.509 117 G HA2 -0.269 3.692 3.960 0.001 0.000 0.256 117 G HA3 -0.269 3.692 3.960 0.001 0.000 0.256 117 G C 0.434 175.434 174.900 0.167 0.000 1.152 117 G CA -0.025 45.168 45.100 0.155 0.000 0.951 117 G HN 0.676 nan 8.290 nan 0.000 0.559 118 L N 0.190 121.487 121.223 0.122 0.000 2.465 118 L HA 0.301 4.642 4.340 0.001 0.000 0.224 118 L C 0.805 177.527 176.870 -0.247 0.000 1.145 118 L CA 0.638 55.425 54.840 -0.087 0.000 0.834 118 L CB -0.297 41.591 42.059 -0.285 0.000 0.944 118 L HN 0.280 nan 8.230 nan 0.000 0.451 119 F N -1.566 118.563 119.950 0.299 0.000 2.575 119 F HA 0.340 4.868 4.527 0.001 0.000 0.330 119 F C 0.562 176.518 175.800 0.261 0.000 1.056 119 F CA -1.314 56.897 58.000 0.351 0.000 0.964 119 F CB 0.846 40.117 39.000 0.453 0.000 1.258 119 F HN -0.167 nan 8.300 nan 0.000 0.484 120 C N 1.341 120.863 119.300 0.370 0.000 2.364 120 C HA 0.898 5.359 4.460 0.001 0.000 0.356 120 C C -0.271 174.646 174.990 -0.122 0.000 1.201 120 C CA -0.970 57.998 59.018 -0.082 0.000 2.227 120 C CB 0.278 28.076 27.740 0.097 0.000 2.387 120 C HN 0.724 nan 8.230 nan 0.000 0.546 121 I N 0.709 120.997 120.570 -0.470 0.000 2.418 121 I HA 0.775 4.946 4.170 0.001 0.000 0.287 121 I C -0.168 175.797 176.117 -0.254 0.000 1.008 121 I CA -0.808 60.335 61.300 -0.262 0.000 1.104 121 I CB 1.202 39.085 38.000 -0.196 0.000 1.264 121 I HN 1.044 nan 8.210 nan 0.000 0.438 122 A N 6.485 129.241 122.820 -0.106 0.000 2.287 122 A HA 0.741 5.062 4.320 0.001 0.000 0.317 122 A C -0.388 177.193 177.584 -0.004 0.000 1.220 122 A CA -0.504 51.519 52.037 -0.024 0.000 0.835 122 A CB 1.161 20.161 19.000 -0.001 0.000 1.180 122 A HN 1.422 nan 8.150 nan 0.000 0.500 123 V N 1.954 121.893 119.914 0.042 0.000 2.328 123 V HA 0.379 4.500 4.120 0.001 0.000 0.278 123 V C 0.167 176.349 176.094 0.147 0.000 1.021 123 V CA -0.762 61.575 62.300 0.061 0.000 0.838 123 V CB 0.364 32.232 31.823 0.075 0.000 0.999 123 V HN 0.971 nan 8.190 nan 0.000 0.447 124 N N 5.291 124.057 118.700 0.110 0.000 2.236 124 N HA 0.022 4.763 4.740 0.001 0.000 0.274 124 N C -1.783 173.899 175.510 0.286 0.000 1.339 124 N CA -0.650 52.493 53.050 0.156 0.000 0.845 124 N CB 0.585 39.143 38.487 0.119 0.000 1.091 124 N HN 0.469 nan 8.380 nan 0.000 0.489 125 P HA -0.126 nan 4.420 nan 0.000 0.224 125 P C -0.005 177.485 177.300 0.317 0.000 1.157 125 P CA 0.458 63.724 63.100 0.276 0.000 0.799 125 P CB -0.139 31.677 31.700 0.194 0.000 0.809 126 Y N 0.425 120.798 120.300 0.121 0.000 3.305 126 Y HA -0.291 4.260 4.550 0.001 0.000 0.212 126 Y C 0.019 175.966 175.900 0.079 0.000 1.248 126 Y CA 0.928 59.082 58.100 0.091 0.000 1.359 126 Y CB -1.653 36.867 38.460 0.099 0.000 1.407 126 Y HN 0.083 nan 8.280 nan 0.000 0.572 127 R N 1.038 121.500 120.500 -0.064 0.000 2.824 127 R HA 0.365 4.706 4.340 0.001 0.000 0.267 127 R C -1.370 174.930 176.300 0.001 0.000 1.035 127 R CA -0.655 55.398 56.100 -0.078 0.000 0.887 127 R CB 0.969 31.276 30.300 0.012 0.000 1.262 127 R HN 0.364 nan 8.270 nan 0.000 0.487 128 R N 3.796 124.295 120.500 -0.001 0.000 2.390 128 R HA 0.294 4.635 4.340 0.001 0.000 0.291 128 R C -0.617 175.733 176.300 0.082 0.000 1.070 128 R CA -0.443 55.685 56.100 0.048 0.000 1.014 128 R CB 0.562 30.891 30.300 0.047 0.000 1.007 128 R HN 0.403 nan 8.270 nan 0.000 0.466 129 L N 3.863 125.155 121.223 0.116 0.000 2.365 129 L HA 0.589 4.929 4.340 0.001 0.000 0.273 129 L C -2.618 174.208 176.870 -0.074 0.000 1.000 129 L CA -2.919 51.919 54.840 -0.003 0.000 0.819 129 L CB 1.054 43.103 42.059 -0.016 0.000 1.284 129 L HN 0.514 nan 8.230 nan 0.000 0.418 130 P HA 0.125 nan 4.420 nan 0.000 0.254 130 P C 0.747 177.788 177.300 -0.432 0.000 1.631 130 P CA 0.279 63.188 63.100 -0.320 0.000 0.861 130 P CB 0.049 31.623 31.700 -0.210 0.000 1.663 131 I N -0.927 119.366 120.570 -0.462 0.000 3.956 131 I HA 0.032 4.203 4.170 0.001 0.000 0.333 131 I C 1.002 177.208 176.117 0.149 0.000 1.302 131 I CA -0.431 60.699 61.300 -0.283 0.000 1.122 131 I CB -0.452 37.231 38.000 -0.530 0.000 1.013 131 I HN -0.046 nan 8.210 nan 0.000 0.405 132 Y N -0.375 120.002 120.300 0.130 0.000 2.467 132 Y HA 0.448 4.999 4.550 0.001 0.000 0.250 132 Y C 1.274 177.222 175.900 0.080 0.000 1.155 132 Y CA -0.256 58.030 58.100 0.310 0.000 1.249 132 Y CB -1.786 36.851 38.460 0.296 0.000 1.146 132 Y HN 0.117 nan 8.280 nan 0.000 0.524 133 T N -0.574 113.605 114.554 -0.624 0.000 2.716 133 T HA -0.127 4.223 4.350 0.001 0.000 0.335 133 T C 1.018 175.553 174.700 -0.275 0.000 1.081 133 T CA 0.303 62.123 62.100 -0.466 0.000 1.073 133 T CB 0.495 69.112 68.868 -0.417 0.000 0.993 133 T HN 0.549 nan 8.240 nan 0.000 0.547 134 D N 0.135 120.416 120.400 -0.198 0.000 2.277 134 D HA -0.123 4.518 4.640 0.001 0.000 0.208 134 D C 2.175 178.347 176.300 -0.214 0.000 0.962 134 D CA 1.163 55.053 54.000 -0.182 0.000 0.865 134 D CB -0.615 40.119 40.800 -0.110 0.000 0.939 134 D HN 0.640 nan 8.370 nan 0.000 0.510 135 S N 1.753 117.333 115.700 -0.201 0.000 2.348 135 S HA -0.202 4.269 4.470 0.001 0.000 0.221 135 S C 2.446 176.915 174.600 -0.218 0.000 1.033 135 S CA 1.970 60.066 58.200 -0.173 0.000 1.010 135 S CB -1.231 61.883 63.200 -0.144 0.000 0.891 135 S HN 0.292 nan 8.310 nan 0.000 0.442 136 V N 2.087 121.832 119.914 -0.281 0.000 2.407 136 V HA -0.089 4.032 4.120 0.001 0.000 0.248 136 V C 2.553 178.323 176.094 -0.540 0.000 1.055 136 V CA 1.419 63.507 62.300 -0.353 0.000 1.049 136 V CB -1.554 30.036 31.823 -0.387 0.000 0.662 136 V HN 0.660 nan 8.190 nan 0.000 0.455 137 I N 1.632 121.792 120.570 -0.682 0.000 2.361 137 I HA 0.027 4.198 4.170 0.001 0.000 0.251 137 I C 2.506 178.305 176.117 -0.531 0.000 1.133 137 I CA 1.989 62.739 61.300 -0.917 0.000 1.413 137 I CB -1.132 36.423 38.000 -0.741 0.000 1.073 137 I HN 0.197 nan 8.210 nan 0.000 0.424 138 A N 1.030 123.662 122.820 -0.314 0.000 1.908 138 A HA -0.255 4.065 4.320 0.001 0.000 0.218 138 A C 2.503 180.027 177.584 -0.099 0.000 1.181 138 A CA 2.187 54.121 52.037 -0.170 0.000 0.627 138 A CB -0.796 18.119 19.000 -0.141 0.000 0.818 138 A HN 0.578 nan 8.150 nan 0.000 0.445 139 K N -1.368 118.962 120.400 -0.117 0.000 2.217 139 K HA -0.149 4.172 4.320 0.001 0.000 0.202 139 K C 1.787 178.406 176.600 0.031 0.000 1.051 139 K CA 1.442 57.689 56.287 -0.065 0.000 0.952 139 K CB -0.243 32.208 32.500 -0.083 0.000 0.736 139 K HN 0.701 nan 8.250 nan 0.000 0.453 140 Y N 0.609 120.795 120.300 -0.190 0.000 2.523 140 Y HA 0.196 4.746 4.550 0.001 0.000 0.279 140 Y C 0.084 175.932 175.900 -0.087 0.000 1.139 140 Y CA -0.263 57.764 58.100 -0.121 0.000 1.296 140 Y CB -0.701 37.681 38.460 -0.129 0.000 1.045 140 Y HN -0.189 nan 8.280 nan 0.000 0.538 141 R N 1.301 122.214 120.500 0.688 0.000 2.502 141 R HA 0.208 4.549 4.340 0.001 0.000 0.292 141 R C 1.313 177.562 176.300 -0.086 0.000 0.998 141 R CA 1.206 57.430 56.100 0.206 0.000 1.056 141 R CB -0.370 30.010 30.300 0.134 0.000 0.939 141 R HN 0.745 nan 8.270 nan 0.000 0.411 142 G N 2.989 111.669 108.800 -0.200 0.000 2.187 142 G HA2 -0.338 3.623 3.960 0.001 0.000 0.261 142 G HA3 -0.338 3.623 3.960 0.001 0.000 0.261 142 G C -0.225 174.593 174.900 -0.137 0.000 1.000 142 G CA 0.611 45.628 45.100 -0.138 0.000 0.718 142 G HN 0.477 nan 8.290 nan 0.000 0.519 143 K N 0.364 120.652 120.400 -0.186 0.000 2.205 143 K HA 0.501 4.822 4.320 0.001 0.000 0.279 143 K C 0.956 177.482 176.600 -0.123 0.000 1.027 143 K CA -0.590 55.620 56.287 -0.128 0.000 0.932 143 K CB 0.529 32.969 32.500 -0.101 0.000 1.032 143 K HN 0.586 nan 8.250 nan 0.000 0.466 144 R N 2.529 122.978 120.500 -0.086 0.000 2.265 144 R HA 0.180 4.521 4.340 0.001 0.000 0.314 144 R C 0.087 176.342 176.300 -0.076 0.000 1.053 144 R CA -0.358 55.694 56.100 -0.080 0.000 0.931 144 R CB 0.638 30.898 30.300 -0.067 0.000 1.024 144 R HN 0.499 nan 8.270 nan 0.000 0.457 145 K N 0.967 121.308 120.400 -0.099 0.000 2.206 145 K HA -0.292 4.029 4.320 0.001 0.000 0.211 145 K C 1.674 178.191 176.600 -0.137 0.000 1.047 145 K CA 2.728 58.922 56.287 -0.155 0.000 0.933 145 K CB -0.363 31.977 32.500 -0.267 0.000 0.721 145 K HN 0.895 nan 8.250 nan 0.000 0.471 146 T N -1.429 113.069 114.554 -0.093 0.000 3.043 146 T HA 0.016 4.367 4.350 0.001 0.000 0.263 146 T C 1.576 176.271 174.700 -0.008 0.000 1.094 146 T CA 0.360 62.432 62.100 -0.047 0.000 1.127 146 T CB 0.154 69.001 68.868 -0.035 0.000 0.905 146 T HN 0.079 nan 8.240 nan 0.000 0.490 147 E N 1.535 121.726 120.200 -0.015 0.000 2.152 147 E HA 0.087 4.438 4.350 0.001 0.000 0.192 147 E C 1.222 177.836 176.600 0.022 0.000 0.983 147 E CA 0.619 57.017 56.400 -0.004 0.000 0.818 147 E CB 0.008 29.693 29.700 -0.026 0.000 0.758 147 E HN 0.719 nan 8.360 nan 0.000 0.467 148 I N -1.742 118.853 120.570 0.041 0.000 2.865 148 I HA 0.418 4.588 4.170 0.001 0.000 0.302 148 I C -2.849 173.357 176.117 0.149 0.000 1.140 148 I CA -2.655 58.697 61.300 0.086 0.000 1.021 148 I CB 1.604 39.647 38.000 0.072 0.000 1.233 148 I HN -0.320 nan 8.210 nan 0.000 0.427 149 P HA 0.083 nan 4.420 nan 0.000 0.271 149 P C -2.655 174.873 177.300 0.380 0.000 1.197 149 P CA -0.258 62.993 63.100 0.253 0.000 0.777 149 P CB -0.952 30.885 31.700 0.227 0.000 0.827 150 P HA 0.178 nan 4.420 nan 0.000 0.276 150 P C -0.363 177.164 177.300 0.379 0.000 1.230 150 P CA 0.833 64.539 63.100 1.011 0.000 0.776 150 P CB 0.399 32.752 31.700 1.087 0.000 0.888 151 H N 2.094 120.790 119.070 -0.625 0.000 3.037 151 H HA 0.192 4.748 4.556 0.001 0.000 0.336 151 H C 0.282 175.056 175.328 -0.923 0.000 1.323 151 H CA -0.553 55.049 56.048 -0.743 0.000 1.159 151 H CB 1.256 31.072 29.762 0.090 0.000 1.882 151 H HN 0.174 nan 8.280 nan 0.000 0.535 152 L N 1.948 122.614 121.223 -0.929 0.000 2.141 152 L HA -0.141 4.200 4.340 0.001 0.000 0.209 152 L C 1.852 178.723 176.870 0.003 0.000 1.094 152 L CA 1.050 55.616 54.840 -0.458 0.000 0.763 152 L CB -0.314 41.429 42.059 -0.525 0.000 0.908 152 L HN 0.468 nan 8.230 nan 0.000 0.437 153 F N -0.098 120.243 119.950 0.651 0.000 2.126 153 F HA -0.240 4.288 4.527 0.001 0.000 0.299 153 F C 2.756 179.014 175.800 0.764 0.000 1.096 153 F CA 1.565 60.135 58.000 0.950 0.000 1.255 153 F CB -0.769 38.798 39.000 0.946 0.000 0.997 153 F HN -0.008 nan 8.300 nan 0.000 0.479 154 S N -0.041 116.032 115.700 0.622 0.000 2.370 154 S HA -0.174 4.297 4.470 0.001 0.000 0.226 154 S C 2.312 177.059 174.600 0.245 0.000 1.033 154 S CA 1.404 59.758 58.200 0.257 0.000 1.011 154 S CB -0.699 62.670 63.200 0.281 0.000 0.852 154 S HN 0.155 nan 8.310 nan 0.000 0.457 155 V N 1.913 122.015 119.914 0.314 0.000 2.295 155 V HA -0.210 3.911 4.120 0.001 0.000 0.246 155 V C 2.640 178.915 176.094 0.302 0.000 1.049 155 V CA 1.755 64.241 62.300 0.310 0.000 1.024 155 V CB -1.262 30.744 31.823 0.305 0.000 0.648 155 V HN 0.552 nan 8.190 nan 0.000 0.447 156 A N -0.359 122.667 122.820 0.343 0.000 1.855 156 A HA -0.279 4.042 4.320 0.001 0.000 0.215 156 A C 2.234 180.249 177.584 0.719 0.000 1.191 156 A CA 1.828 54.114 52.037 0.416 0.000 0.613 156 A CB -0.798 18.113 19.000 -0.149 0.000 0.829 156 A HN 0.561 nan 8.150 nan 0.000 0.442 157 D N -0.213 120.567 120.400 0.634 0.000 2.133 157 D HA -0.195 4.446 4.640 0.001 0.000 0.195 157 D C 1.535 177.884 176.300 0.082 0.000 0.997 157 D CA 1.468 55.515 54.000 0.078 0.000 0.840 157 D CB -0.193 40.136 40.800 -0.784 0.000 0.947 157 D HN 0.389 nan 8.370 nan 0.000 0.452 158 N N 0.384 119.121 118.700 0.061 0.000 2.142 158 N HA -0.104 4.637 4.740 0.001 0.000 0.186 158 N C 1.897 177.386 175.510 -0.035 0.000 1.023 158 N CA 1.088 54.135 53.050 -0.006 0.000 0.852 158 N CB -0.321 38.152 38.487 -0.023 0.000 0.998 158 N HN 0.195 nan 8.380 nan 0.000 0.424 159 A N 0.473 123.280 122.820 -0.022 0.000 1.978 159 A HA -0.204 4.116 4.320 0.001 0.000 0.220 159 A C 2.101 179.665 177.584 -0.034 0.000 1.170 159 A CA 1.075 53.004 52.037 -0.181 0.000 0.636 159 A CB -0.884 18.031 19.000 -0.143 0.000 0.810 159 A HN 0.434 nan 8.150 nan 0.000 0.448 160 Y N -0.016 120.286 120.300 0.004 0.000 2.089 160 Y HA -0.250 4.301 4.550 0.001 0.000 0.282 160 Y C 2.649 178.454 175.900 -0.158 0.000 1.139 160 Y CA 2.391 60.461 58.100 -0.051 0.000 1.123 160 Y CB -0.355 38.099 38.460 -0.011 0.000 0.980 160 Y HN 0.352 nan 8.280 nan 0.000 0.493 161 Q N 0.734 120.523 119.800 -0.018 0.000 2.112 161 Q HA -0.245 4.096 4.340 0.001 0.000 0.206 161 Q C 1.788 177.618 176.000 -0.283 0.000 0.987 161 Q CA 2.065 57.788 55.803 -0.133 0.000 0.858 161 Q CB -0.410 28.292 28.738 -0.060 0.000 0.905 161 Q HN 0.618 nan 8.270 nan 0.000 0.420 162 N N -0.072 118.460 118.700 -0.281 0.000 2.084 162 N HA -0.131 4.610 4.740 0.001 0.000 0.190 162 N C 1.996 177.231 175.510 -0.459 0.000 1.030 162 N CA 1.479 54.328 53.050 -0.336 0.000 0.849 162 N CB -0.415 37.877 38.487 -0.324 0.000 1.012 162 N HN 0.351 nan 8.380 nan 0.000 0.423 163 M N 0.575 119.833 119.600 -0.571 0.000 2.108 163 M HA -0.130 4.351 4.480 0.001 0.000 0.261 163 M C 2.162 177.814 176.300 -1.080 0.000 1.066 163 M CA 1.211 55.971 55.300 -0.900 0.000 1.107 163 M CB -0.431 31.469 32.600 -1.167 0.000 1.356 163 M HN -0.076 nan 8.290 nan 0.000 0.406 164 V N 0.579 119.936 119.914 -0.929 0.000 2.216 164 V HA -0.272 3.849 4.120 0.001 0.000 0.242 164 V C 2.725 178.591 176.094 -0.379 0.000 1.042 164 V CA 2.587 64.513 62.300 -0.624 0.000 0.991 164 V CB -1.445 30.059 31.823 -0.531 0.000 0.633 164 V HN 0.624 nan 8.190 nan 0.000 0.449 165 T N -1.740 112.631 114.554 -0.305 0.000 2.684 165 T HA -0.257 4.094 4.350 0.001 0.000 0.267 165 T C 1.543 176.113 174.700 -0.217 0.000 1.036 165 T CA 1.919 63.892 62.100 -0.212 0.000 1.148 165 T CB -0.579 68.183 68.868 -0.177 0.000 0.863 165 T HN 0.491 nan 8.240 nan 0.000 0.436 166 D N 1.299 121.534 120.400 -0.274 0.000 2.317 166 D HA 0.032 4.673 4.640 0.001 0.000 0.211 166 D C 0.398 176.551 176.300 -0.244 0.000 0.966 166 D CA 0.230 54.073 54.000 -0.261 0.000 0.876 166 D CB -0.163 40.427 40.800 -0.349 0.000 0.927 166 D HN 0.478 nan 8.370 nan 0.000 0.519 167 R N 1.339 121.661 120.500 -0.297 0.000 2.992 167 R HA -0.166 4.175 4.340 0.001 0.000 0.263 167 R C -0.079 176.106 176.300 -0.191 0.000 0.902 167 R CA 0.649 56.604 56.100 -0.243 0.000 0.667 167 R CB -1.263 28.964 30.300 -0.122 0.000 1.504 167 R HN 0.280 nan 8.270 nan 0.000 0.489 168 E N 1.078 121.116 120.200 -0.269 0.000 2.416 168 E HA 0.187 4.538 4.350 0.001 0.000 0.280 168 E C -1.369 175.124 176.600 -0.178 0.000 1.055 168 E CA -0.893 55.426 56.400 -0.136 0.000 0.825 168 E CB 1.045 30.705 29.700 -0.066 0.000 1.312 168 E HN 0.167 nan 8.360 nan 0.000 0.452 169 N N 1.916 120.548 118.700 -0.114 0.000 2.530 169 N HA 0.157 4.898 4.740 0.001 0.000 0.273 169 N C -0.028 175.435 175.510 -0.078 0.000 1.173 169 N CA -0.132 52.754 53.050 -0.275 0.000 0.967 169 N CB 0.838 38.968 38.487 -0.595 0.000 1.109 169 N HN 0.406 nan 8.380 nan 0.000 0.453 170 Q N 0.361 120.154 119.800 -0.011 0.000 2.286 170 Q HA 0.617 4.957 4.340 0.001 0.000 0.250 170 Q C -0.635 175.593 176.000 0.380 0.000 1.021 170 Q CA -0.539 55.401 55.803 0.229 0.000 0.930 170 Q CB 1.644 30.504 28.738 0.205 0.000 1.266 170 Q HN 0.515 nan 8.270 nan 0.000 0.491 171 S N -0.051 116.050 115.700 0.667 0.000 2.604 171 S HA 0.238 4.709 4.470 0.001 0.000 0.296 171 S C -1.216 173.098 174.600 -0.476 0.000 1.097 171 S CA -0.862 57.448 58.200 0.183 0.000 0.883 171 S CB 0.520 63.874 63.200 0.256 0.000 1.081 171 S HN 0.740 nan 8.310 nan 0.000 0.448 172 C N 2.488 121.512 119.300 -0.461 0.000 2.319 172 C HA 0.820 5.281 4.460 0.001 0.000 0.323 172 C C -0.420 174.472 174.990 -0.163 0.000 1.277 172 C CA -0.859 57.878 59.018 -0.469 0.000 1.517 172 C CB -0.835 26.649 27.740 -0.427 0.000 2.206 172 C HN 0.847 nan 8.230 nan 0.000 0.486 173 L N 4.857 126.047 121.223 -0.054 0.000 2.262 173 L HA 0.475 4.816 4.340 0.001 0.000 0.288 173 L C -0.036 176.697 176.870 -0.228 0.000 1.035 173 L CA -0.454 54.385 54.840 -0.001 0.000 0.820 173 L CB 1.237 43.410 42.059 0.190 0.000 1.204 173 L HN 0.875 nan 8.230 nan 0.000 0.424 174 I N 2.264 122.689 120.570 -0.241 0.000 2.291 174 I HA 0.435 4.605 4.170 0.001 0.000 0.290 174 I C 0.385 176.344 176.117 -0.263 0.000 1.050 174 I CA 0.204 61.283 61.300 -0.369 0.000 1.245 174 I CB 1.325 39.184 38.000 -0.234 0.000 1.405 174 I HN 0.485 nan 8.210 nan 0.000 0.478 175 T N 2.597 116.934 114.554 -0.360 0.000 2.949 175 T HA 1.029 5.380 4.350 0.001 0.000 0.287 175 T C 0.128 174.819 174.700 -0.015 0.000 1.034 175 T CA -0.352 61.725 62.100 -0.038 0.000 1.018 175 T CB 1.560 70.587 68.868 0.266 0.000 1.135 175 T HN 1.466 nan 8.240 nan 0.000 0.532 176 G N 0.283 109.116 108.800 0.054 0.000 2.337 176 G HA2 0.407 4.368 3.960 0.001 0.000 0.298 176 G HA3 0.407 4.368 3.960 0.001 0.000 0.298 176 G C -1.130 173.836 174.900 0.110 0.000 1.335 176 G CA -0.450 44.688 45.100 0.064 0.000 0.875 176 G HN 0.975 nan 8.290 nan 0.000 0.579 177 E N -0.065 120.206 120.200 0.118 0.000 2.405 177 E HA 0.517 4.868 4.350 0.001 0.000 0.253 177 E C -0.108 176.555 176.600 0.104 0.000 1.257 177 E CA -0.385 56.110 56.400 0.158 0.000 0.960 177 E CB 0.481 30.262 29.700 0.135 0.000 1.077 177 E HN 0.337 nan 8.360 nan 0.000 0.512 178 S N -0.512 115.247 115.700 0.098 0.000 2.455 178 S HA 0.460 4.931 4.470 0.001 0.000 0.278 178 S C 0.834 175.458 174.600 0.040 0.000 1.216 178 S CA 0.215 58.447 58.200 0.052 0.000 1.055 178 S CB 0.243 63.459 63.200 0.026 0.000 0.939 178 S HN 0.817 nan 8.310 nan 0.000 0.494 179 G N 2.021 110.842 108.800 0.036 0.000 2.163 179 G HA2 -0.186 3.774 3.960 0.001 0.000 0.213 179 G HA3 -0.186 3.774 3.960 0.001 0.000 0.213 179 G C 0.726 175.651 174.900 0.043 0.000 0.991 179 G CA 0.206 45.330 45.100 0.041 0.000 0.653 179 G HN 0.867 nan 8.290 nan 0.000 0.518 180 A N -0.350 122.491 122.820 0.035 0.000 1.855 180 A HA 0.577 4.898 4.320 0.001 0.000 0.213 180 A C 2.333 179.933 177.584 0.026 0.000 1.195 180 A CA 2.529 54.583 52.037 0.028 0.000 0.610 180 A CB -0.225 18.788 19.000 0.023 0.000 0.837 180 A HN 2.231 nan 8.150 nan 0.000 0.444 181 G N -1.952 106.854 108.800 0.010 0.000 3.784 181 G HA2 -0.036 3.925 3.960 0.001 0.000 0.220 181 G HA3 -0.036 3.925 3.960 0.001 0.000 0.220 181 G C 0.811 175.691 174.900 -0.034 0.000 0.895 181 G CA 0.510 45.609 45.100 -0.003 0.000 0.939 181 G HN 0.258 nan 8.290 nan 0.000 0.708 182 K N 0.604 120.982 120.400 -0.037 0.000 2.015 182 K HA -0.197 4.124 4.320 0.001 0.000 0.216 182 K C 2.944 179.506 176.600 -0.064 0.000 1.052 182 K CA 2.511 58.761 56.287 -0.061 0.000 0.937 182 K CB -0.348 32.124 32.500 -0.045 0.000 0.719 182 K HN 0.507 nan 8.250 nan 0.000 0.446 183 T N -0.233 114.293 114.554 -0.046 0.000 2.643 183 T HA -0.137 4.214 4.350 0.001 0.000 0.264 183 T C 1.769 176.443 174.700 -0.045 0.000 1.045 183 T CA 1.000 63.075 62.100 -0.042 0.000 1.155 183 T CB -0.300 68.553 68.868 -0.024 0.000 0.863 183 T HN 0.117 nan 8.240 nan 0.000 0.420 184 E N 1.853 122.029 120.200 -0.039 0.000 2.114 184 E HA -0.164 4.186 4.350 0.001 0.000 0.199 184 E C 2.274 178.826 176.600 -0.080 0.000 1.008 184 E CA 1.344 57.713 56.400 -0.053 0.000 0.810 184 E CB -0.501 29.176 29.700 -0.038 0.000 0.739 184 E HN 0.611 nan 8.360 nan 0.000 0.456 185 N N 0.229 118.876 118.700 -0.088 0.000 2.270 185 N HA -0.092 4.649 4.740 0.001 0.000 0.181 185 N C 2.052 177.476 175.510 -0.142 0.000 1.016 185 N CA 1.697 54.671 53.050 -0.126 0.000 0.870 185 N CB -0.387 38.026 38.487 -0.123 0.000 0.979 185 N HN 0.355 nan 8.380 nan 0.000 0.431 186 T N -0.666 113.819 114.554 -0.114 0.000 2.777 186 T HA -0.104 4.246 4.350 0.001 0.000 0.266 186 T C 1.932 176.571 174.700 -0.102 0.000 1.040 186 T CA 1.079 63.111 62.100 -0.114 0.000 1.141 186 T CB -0.061 68.756 68.868 -0.085 0.000 0.868 186 T HN 0.118 nan 8.240 nan 0.000 0.444 187 K N 1.211 121.566 120.400 -0.075 0.000 2.026 187 K HA -0.062 4.258 4.320 0.001 0.000 0.208 187 K C 2.553 179.114 176.600 -0.064 0.000 1.048 187 K CA 1.337 57.593 56.287 -0.052 0.000 0.929 187 K CB -0.211 32.266 32.500 -0.039 0.000 0.713 187 K HN 0.378 nan 8.250 nan 0.000 0.439 188 K N 0.283 120.621 120.400 -0.105 0.000 2.211 188 K HA -0.110 4.210 4.320 0.001 0.000 0.204 188 K C 1.707 178.210 176.600 -0.162 0.000 1.047 188 K CA 1.153 57.367 56.287 -0.122 0.000 0.935 188 K CB 0.145 32.520 32.500 -0.208 0.000 0.728 188 K HN 0.032 nan 8.250 nan 0.000 0.452 189 V N 1.610 121.384 119.914 -0.234 0.000 2.323 189 V HA -0.241 3.880 4.120 0.001 0.000 0.244 189 V C 2.194 178.098 176.094 -0.317 0.000 1.041 189 V CA 1.732 63.781 62.300 -0.418 0.000 1.025 189 V CB -0.488 31.113 31.823 -0.369 0.000 0.656 189 V HN 0.475 nan 8.190 nan 0.000 0.451 190 I N -1.196 119.314 120.570 -0.100 0.000 2.163 190 I HA -0.203 3.968 4.170 0.001 0.000 0.240 190 I C 2.327 178.546 176.117 0.171 0.000 1.081 190 I CA 1.987 63.311 61.300 0.039 0.000 1.353 190 I CB -0.702 37.304 38.000 0.011 0.000 1.054 190 I HN 0.098 nan 8.210 nan 0.000 0.407 191 M N 0.569 120.249 119.600 0.133 0.000 2.144 191 M HA -0.187 4.294 4.480 0.001 0.000 0.260 191 M C 2.531 179.024 176.300 0.322 0.000 1.067 191 M CA 2.188 57.597 55.300 0.182 0.000 1.095 191 M CB -1.661 31.024 32.600 0.142 0.000 1.365 191 M HN 0.662 nan 8.290 nan 0.000 0.406 192 Y N 1.294 121.693 120.300 0.165 0.000 2.092 192 Y HA -0.102 4.449 4.550 0.001 0.000 0.282 192 Y C 2.131 178.145 175.900 0.190 0.000 1.126 192 Y CA 1.231 59.483 58.100 0.253 0.000 1.111 192 Y CB -1.472 37.180 38.460 0.320 0.000 0.987 192 Y HN 0.186 nan 8.280 nan 0.000 0.489 193 L N 0.673 123.599 121.223 2.839 0.000 2.189 193 L HA -0.135 4.206 4.340 0.001 0.000 0.214 193 L C 2.331 179.432 176.870 0.385 0.000 1.097 193 L CA 1.795 57.168 54.840 0.888 0.000 0.764 193 L CB -0.691 42.107 42.059 1.232 0.000 0.900 193 L HN 0.452 nan 8.230 nan 0.000 0.436 194 A N -0.134 122.880 122.820 0.323 0.000 1.929 194 A HA -0.216 4.104 4.320 0.001 0.000 0.216 194 A C 2.313 179.958 177.584 0.101 0.000 1.176 194 A CA 1.493 53.633 52.037 0.172 0.000 0.628 194 A CB -0.350 18.731 19.000 0.136 0.000 0.816 194 A HN 0.453 nan 8.150 nan 0.000 0.444 195 K N -0.173 120.276 120.400 0.082 0.000 2.486 195 K HA 0.070 4.390 4.320 0.001 0.000 0.194 195 K C 0.374 176.939 176.600 -0.060 0.000 1.033 195 K CA 0.828 57.119 56.287 0.007 0.000 1.004 195 K CB -0.182 32.314 32.500 -0.006 0.000 0.798 195 K HN 0.471 nan 8.250 nan 0.000 0.495 217 D N 2.695 123.101 120.400 0.011 0.000 2.149 217 D HA -0.227 4.414 4.640 0.001 0.000 0.198 217 D C 1.964 178.272 176.300 0.015 0.000 0.990 217 D CA 2.013 56.022 54.000 0.015 0.000 0.839 217 D CB -0.310 40.495 40.800 0.009 0.000 0.948 217 D HN 0.412 nan 8.370 nan 0.000 0.460 218 Q N 1.657 121.457 119.800 -0.000 0.000 2.083 218 Q HA -0.116 4.225 4.340 0.001 0.000 0.198 218 Q C 2.728 178.736 176.000 0.012 0.000 0.969 218 Q CA 1.008 56.809 55.803 -0.002 0.000 0.838 218 Q CB -0.977 27.739 28.738 -0.037 0.000 0.900 218 Q HN 0.533 nan 8.270 nan 0.000 0.436 219 I N 1.402 121.976 120.570 0.006 0.000 2.052 219 I HA -0.279 3.892 4.170 0.001 0.000 0.235 219 I C 2.596 178.729 176.117 0.028 0.000 1.046 219 I CA 2.026 63.332 61.300 0.011 0.000 1.308 219 I CB -1.067 36.937 38.000 0.006 0.000 1.031 219 I HN 0.200 nan 8.210 nan 0.000 0.395 220 I N 0.047 120.637 120.570 0.034 0.000 2.236 220 I HA -0.288 3.883 4.170 0.001 0.000 0.249 220 I C 2.053 178.197 176.117 0.046 0.000 1.102 220 I CA 1.855 63.179 61.300 0.041 0.000 1.365 220 I CB -1.174 36.852 38.000 0.044 0.000 1.051 220 I HN 0.421 nan 8.210 nan 0.000 0.420 221 Q N 0.997 120.826 119.800 0.049 0.000 2.472 221 Q HA 0.174 4.514 4.340 0.001 0.000 0.208 221 Q C 2.228 178.278 176.000 0.082 0.000 0.958 221 Q CA 1.046 56.887 55.803 0.064 0.000 0.932 221 Q CB -0.037 28.742 28.738 0.068 0.000 1.007 221 Q HN 0.785 nan 8.270 nan 0.000 0.508 222 A N 0.888 123.751 122.820 0.072 0.000 2.072 222 A HA -0.080 4.241 4.320 0.001 0.000 0.216 222 A C 1.745 179.379 177.584 0.084 0.000 1.156 222 A CA 0.505 52.590 52.037 0.079 0.000 0.701 222 A CB -0.042 18.990 19.000 0.053 0.000 0.816 222 A HN 0.251 nan 8.150 nan 0.000 0.458 223 N N 0.565 119.315 118.700 0.084 0.000 2.106 223 N HA -0.089 4.652 4.740 0.001 0.000 0.188 223 N C -0.921 174.652 175.510 0.105 0.000 1.029 223 N CA 1.565 54.676 53.050 0.102 0.000 0.848 223 N CB -1.496 37.037 38.487 0.077 0.000 1.007 223 N HN 0.300 nan 8.380 nan 0.000 0.423 224 P HA -0.113 nan 4.420 nan 0.000 0.216 224 P C 1.911 179.273 177.300 0.103 0.000 1.150 224 P CA 1.216 64.358 63.100 0.071 0.000 0.843 224 P CB -0.169 31.569 31.700 0.064 0.000 0.787 225 V N -3.655 116.338 119.914 0.133 0.000 2.446 225 V HA -0.071 4.050 4.120 0.001 0.000 0.244 225 V C 2.427 178.708 176.094 0.313 0.000 1.039 225 V CA 1.093 63.517 62.300 0.207 0.000 1.045 225 V CB -1.765 30.133 31.823 0.126 0.000 0.681 225 V HN -0.040 nan 8.190 nan 0.000 0.459 226 L N -0.074 121.263 121.223 0.190 0.000 2.141 226 L HA -0.053 4.288 4.340 0.001 0.000 0.209 226 L C 3.021 180.095 176.870 0.341 0.000 1.094 226 L CA 1.573 56.528 54.840 0.192 0.000 0.763 226 L CB -0.456 41.659 42.059 0.093 0.000 0.908 226 L HN 0.392 nan 8.230 nan 0.000 0.437 227 E N -0.105 120.270 120.200 0.291 0.000 2.208 227 E HA -0.121 4.229 4.350 0.001 0.000 0.193 227 E C 2.186 178.928 176.600 0.236 0.000 0.988 227 E CA 1.081 57.647 56.400 0.278 0.000 0.828 227 E CB 0.017 29.782 29.700 0.108 0.000 0.763 227 E HN 0.440 nan 8.360 nan 0.000 0.478 228 A N 0.285 123.211 122.820 0.176 0.000 1.930 228 A HA -0.141 4.179 4.320 0.001 0.000 0.217 228 A C 1.724 179.410 177.584 0.170 0.000 1.175 228 A CA 1.022 53.122 52.037 0.105 0.000 0.627 228 A CB -0.591 18.356 19.000 -0.087 0.000 0.815 228 A HN 0.222 nan 8.150 nan 0.000 0.443 229 Y N -0.904 119.580 120.300 0.307 0.000 2.517 229 Y HA 0.270 4.821 4.550 0.001 0.000 0.281 229 Y C 1.961 178.107 175.900 0.409 0.000 1.125 229 Y CA 0.562 58.849 58.100 0.312 0.000 1.283 229 Y CB 0.268 38.840 38.460 0.186 0.000 1.042 229 Y HN 0.337 nan 8.280 nan 0.000 0.547 230 G N -0.283 108.842 108.800 0.542 0.000 4.432 230 G HA2 0.306 4.267 3.960 0.001 0.000 0.294 230 G HA3 0.306 4.267 3.960 0.001 0.000 0.294 230 G C -0.708 174.547 174.900 0.591 0.000 1.141 230 G CA -0.277 45.111 45.100 0.480 0.000 0.895 230 G HN 0.194 nan 8.290 nan 0.000 0.548 231 N N -0.939 118.085 118.700 0.539 0.000 2.610 231 N HA 0.794 5.535 4.740 0.001 0.000 0.264 231 N C -0.955 174.625 175.510 0.117 0.000 1.348 231 N CA -0.591 52.750 53.050 0.485 0.000 0.819 231 N CB 2.455 41.368 38.487 0.711 0.000 1.521 231 N HN 0.301 nan 8.380 nan 0.000 0.497 232 A N 0.526 123.265 122.820 -0.135 0.000 2.583 232 A HA 0.418 4.739 4.320 0.001 0.000 0.292 232 A C -1.571 175.855 177.584 -0.263 0.000 1.045 232 A CA -0.717 51.070 52.037 -0.416 0.000 0.672 232 A CB 1.111 19.996 19.000 -0.192 0.000 1.283 232 A HN 0.591 nan 8.150 nan 0.000 0.419 233 K N 0.497 120.718 120.400 -0.298 0.000 2.295 233 K HA 0.554 4.875 4.320 0.001 0.000 0.270 233 K C 0.133 176.652 176.600 -0.135 0.000 1.011 233 K CA 0.906 57.089 56.287 -0.173 0.000 0.953 233 K CB 0.459 32.836 32.500 -0.204 0.000 0.956 233 K HN 1.044 nan 8.250 nan 0.000 0.477 234 T N -1.038 113.463 114.554 -0.089 0.000 2.841 234 T HA 0.156 4.507 4.350 0.001 0.000 0.296 234 T C 1.156 175.838 174.700 -0.031 0.000 1.166 234 T CA -0.257 61.799 62.100 -0.074 0.000 1.007 234 T CB 1.196 70.029 68.868 -0.058 0.000 1.253 234 T HN 0.680 nan 8.240 nan 0.000 0.511 235 T N -0.575 113.980 114.554 0.003 0.000 2.746 235 T HA -0.103 4.247 4.350 0.001 0.000 0.267 235 T C 1.874 176.598 174.700 0.041 0.000 1.039 235 T CA 1.075 63.206 62.100 0.051 0.000 1.142 235 T CB -0.400 68.561 68.868 0.155 0.000 0.866 235 T HN 0.661 nan 8.240 nan 0.000 0.444 236 R N 1.693 122.218 120.500 0.041 0.000 2.062 236 R HA 0.121 4.462 4.340 0.001 0.000 0.231 236 R C 0.149 176.466 176.300 0.028 0.000 1.136 236 R CA 1.170 57.288 56.100 0.030 0.000 0.948 236 R CB -0.069 30.247 30.300 0.026 0.000 0.845 236 R HN 0.495 nan 8.270 nan 0.000 0.430 237 N N 0.031 118.744 118.700 0.022 0.000 2.354 237 N HA 0.053 4.794 4.740 0.001 0.000 0.287 237 N C -0.634 174.893 175.510 0.028 0.000 1.016 237 N CA -0.425 52.646 53.050 0.034 0.000 0.871 237 N CB 1.657 40.166 38.487 0.036 0.000 1.299 237 N HN 0.041 nan 8.380 nan 0.000 0.482 238 N N 2.058 120.785 118.700 0.045 0.000 2.381 238 N HA -0.056 4.684 4.740 0.001 0.000 0.182 238 N C -0.620 174.936 175.510 0.077 0.000 1.025 238 N CA 1.224 54.294 53.050 0.034 0.000 0.888 238 N CB 0.082 38.598 38.487 0.048 0.000 0.965 238 N HN 0.534 nan 8.380 nan 0.000 0.438 239 N N -0.646 118.127 118.700 0.120 0.000 2.679 239 N HA 0.186 4.927 4.740 0.001 0.000 0.302 239 N C -1.472 174.141 175.510 0.170 0.000 1.941 239 N CA -0.243 52.948 53.050 0.235 0.000 0.875 239 N CB 0.920 39.519 38.487 0.185 0.000 1.278 239 N HN -0.078 nan 8.380 nan 0.000 0.490 240 S N 0.620 116.381 115.700 0.102 0.000 2.516 240 S HA 0.038 4.509 4.470 0.001 0.000 0.282 240 S C 0.439 175.090 174.600 0.086 0.000 1.286 240 S CA -0.145 58.091 58.200 0.061 0.000 1.066 240 S CB 0.932 64.140 63.200 0.012 0.000 0.884 240 S HN 0.309 nan 8.310 nan 0.000 0.491 241 S N 2.506 118.224 115.700 0.030 0.000 2.528 241 S HA 0.211 4.681 4.470 0.001 0.000 0.277 241 S C 0.655 175.226 174.600 -0.049 0.000 1.297 241 S CA -0.547 57.630 58.200 -0.038 0.000 1.052 241 S CB 0.170 63.228 63.200 -0.235 0.000 0.917 241 S HN 0.655 nan 8.310 nan 0.000 0.492 242 R N 3.203 123.740 120.500 0.063 0.000 2.633 242 R HA 0.285 4.626 4.340 0.001 0.000 0.348 242 R C -0.869 175.527 176.300 0.161 0.000 1.100 242 R CA -0.130 56.024 56.100 0.090 0.000 1.068 242 R CB -0.005 30.366 30.300 0.119 0.000 1.351 242 R HN 0.668 nan 8.270 nan 0.000 0.575 243 F N -3.612 116.359 119.950 0.036 0.000 2.693 243 F HA 0.670 5.197 4.527 0.001 0.000 0.309 243 F C -0.369 175.525 175.800 0.156 0.000 1.129 243 F CA -1.634 56.393 58.000 0.044 0.000 0.948 243 F CB 0.590 39.562 39.000 -0.046 0.000 1.315 243 F HN -0.131 nan 8.300 nan 0.000 0.447 244 G N 1.556 110.547 108.800 0.319 0.000 2.377 244 G HA2 0.558 4.518 3.960 0.001 0.000 0.299 244 G HA3 0.558 4.518 3.960 0.001 0.000 0.299 244 G C -1.469 173.660 174.900 0.381 0.000 1.150 244 G CA -0.903 44.341 45.100 0.241 0.000 0.847 244 G HN 0.676 nan 8.290 nan 0.000 0.501 245 K N 1.212 121.742 120.400 0.217 0.000 2.463 245 K HA 0.311 4.632 4.320 0.001 0.000 0.255 245 K C -1.874 174.891 176.600 0.274 0.000 0.942 245 K CA -0.613 55.874 56.287 0.334 0.000 0.814 245 K CB 2.241 34.916 32.500 0.291 0.000 1.122 245 K HN 0.413 nan 8.250 nan 0.000 0.425 246 F N 6.126 126.157 119.950 0.134 0.000 2.445 246 F HA 0.403 4.931 4.527 0.001 0.000 0.348 246 F C -0.615 175.216 175.800 0.051 0.000 1.125 246 F CA -1.117 56.922 58.000 0.064 0.000 0.983 246 F CB 0.712 39.739 39.000 0.046 0.000 1.198 246 F HN 0.320 nan 8.300 nan 0.000 0.436 247 I N 5.184 125.466 120.570 -0.481 0.000 2.389 247 I HA 0.591 4.762 4.170 0.001 0.000 0.288 247 I C -1.111 174.702 176.117 -0.508 0.000 0.999 247 I CA -0.692 60.407 61.300 -0.335 0.000 1.129 247 I CB 1.520 39.427 38.000 -0.154 0.000 1.288 247 I HN 0.487 nan 8.210 nan 0.000 0.444 248 R N 6.702 126.964 120.500 -0.397 0.000 2.368 248 R HA 0.534 4.875 4.340 0.001 0.000 0.302 248 R C -0.457 175.659 176.300 -0.307 0.000 1.002 248 R CA -0.765 55.101 56.100 -0.390 0.000 0.929 248 R CB 2.019 32.004 30.300 -0.525 0.000 1.073 248 R HN 0.879 nan 8.270 nan 0.000 0.464 249 I N -0.281 120.161 120.570 -0.214 0.000 2.405 249 I HA 0.301 4.472 4.170 0.001 0.000 0.280 249 I C -0.090 175.806 176.117 -0.367 0.000 1.027 249 I CA -0.401 60.756 61.300 -0.239 0.000 1.161 249 I CB 0.900 38.821 38.000 -0.132 0.000 1.300 249 I HN 0.330 nan 8.210 nan 0.000 0.463 250 H N 5.364 124.270 119.070 -0.272 0.000 2.707 250 H HA 0.374 4.931 4.556 0.001 0.000 0.359 250 H C -1.156 173.795 175.328 -0.628 0.000 1.113 250 H CA 0.423 56.316 56.048 -0.259 0.000 1.422 250 H CB 0.939 30.621 29.762 -0.134 0.000 1.443 250 H HN 0.508 nan 8.280 nan 0.000 0.591 251 F N -0.467 119.417 119.950 -0.110 0.000 2.551 251 F HA 0.396 4.924 4.527 0.001 0.000 0.316 251 F C 0.908 176.607 175.800 -0.168 0.000 1.089 251 F CA -0.628 57.238 58.000 -0.224 0.000 0.915 251 F CB 1.845 40.474 39.000 -0.618 0.000 1.186 251 F HN 0.567 nan 8.300 nan 0.000 0.456 252 G N 1.229 110.120 108.800 0.153 0.000 2.537 252 G HA2 0.418 4.379 3.960 0.001 0.000 0.297 252 G HA3 0.418 4.379 3.960 0.001 0.000 0.297 252 G C -2.127 172.849 174.900 0.127 0.000 1.310 252 G CA -1.508 43.656 45.100 0.106 0.000 1.027 252 G HN 0.393 nan 8.290 nan 0.000 0.505 253 P HA -0.031 nan 4.420 nan 0.000 0.234 253 P C 1.257 178.616 177.300 0.098 0.000 1.162 253 P CA 1.504 64.663 63.100 0.097 0.000 0.759 253 P CB 0.079 31.821 31.700 0.070 0.000 0.813 254 T N -6.417 108.205 114.554 0.114 0.000 3.132 254 T HA 0.437 4.788 4.350 0.001 0.000 0.274 254 T C 1.210 176.007 174.700 0.162 0.000 1.011 254 T CA 0.213 62.380 62.100 0.111 0.000 0.899 254 T CB -0.599 68.323 68.868 0.090 0.000 1.089 254 T HN 0.166 nan 8.240 nan 0.000 0.543 255 G N 1.582 110.507 108.800 0.208 0.000 2.221 255 G HA2 -0.263 3.698 3.960 0.001 0.000 0.265 255 G HA3 -0.263 3.698 3.960 0.001 0.000 0.265 255 G C -0.240 174.913 174.900 0.422 0.000 1.041 255 G CA 0.505 45.787 45.100 0.303 0.000 0.807 255 G HN 0.876 nan 8.290 nan 0.000 0.502 256 K N 0.117 120.753 120.400 0.393 0.000 2.281 256 K HA 0.671 4.992 4.320 0.001 0.000 0.242 256 K C 1.322 178.168 176.600 0.410 0.000 0.971 256 K CA -1.439 55.084 56.287 0.394 0.000 0.834 256 K CB 0.950 33.567 32.500 0.196 0.000 1.181 256 K HN 0.392 nan 8.250 nan 0.000 0.435 257 I N 1.395 122.115 120.570 0.251 0.000 2.664 257 I HA 0.142 4.312 4.170 0.001 0.000 0.284 257 I C -0.324 175.754 176.117 -0.066 0.000 1.154 257 I CA 0.629 61.859 61.300 -0.116 0.000 1.402 257 I CB 0.330 38.271 38.000 -0.098 0.000 1.395 257 I HN 0.683 nan 8.210 nan 0.000 0.545 258 A N 5.328 128.079 122.820 -0.114 0.000 2.676 258 A HA 0.737 5.057 4.320 0.001 0.000 0.297 258 A C 0.583 178.120 177.584 -0.079 0.000 1.132 258 A CA 0.187 52.189 52.037 -0.059 0.000 0.972 258 A CB -0.401 18.585 19.000 -0.023 0.000 1.197 258 A HN 1.585 nan 8.150 nan 0.000 0.524 259 G N -1.614 107.137 108.800 -0.081 0.000 2.361 259 G HA2 0.637 4.598 3.960 0.001 0.000 0.331 259 G HA3 0.637 4.598 3.960 0.001 0.000 0.331 259 G C -0.793 174.128 174.900 0.034 0.000 1.324 259 G CA -0.021 45.048 45.100 -0.052 0.000 0.984 259 G HN 2.041 nan 8.290 nan 0.000 0.586 260 A N -0.268 122.613 122.820 0.101 0.000 2.594 260 A HA 0.697 5.017 4.320 0.001 0.000 0.301 260 A C -1.619 175.997 177.584 0.053 0.000 1.022 260 A CA 0.335 52.428 52.037 0.092 0.000 0.738 260 A CB 1.566 20.550 19.000 -0.026 0.000 1.263 260 A HN 1.295 nan 8.150 nan 0.000 0.409 261 D N 1.053 121.469 120.400 0.026 0.000 2.581 261 D HA 0.657 5.298 4.640 0.001 0.000 0.232 261 D C -1.005 175.291 176.300 -0.008 0.000 1.143 261 D CA -0.222 53.785 54.000 0.012 0.000 0.881 261 D CB 1.986 42.816 40.800 0.051 0.000 1.500 261 D HN 0.912 nan 8.370 nan 0.000 0.458 262 I N -0.775 119.801 120.570 0.010 0.000 2.608 262 I HA 0.593 4.763 4.170 0.001 0.000 0.295 262 I C -1.166 175.003 176.117 0.087 0.000 1.049 262 I CA -0.530 60.794 61.300 0.041 0.000 1.063 262 I CB 2.132 40.144 38.000 0.021 0.000 1.248 262 I HN 0.241 nan 8.210 nan 0.000 0.424 263 E N 4.302 124.609 120.200 0.179 0.000 2.293 263 E HA 0.542 4.893 4.350 0.001 0.000 0.270 263 E C -0.739 176.041 176.600 0.301 0.000 0.879 263 E CA -0.398 56.133 56.400 0.218 0.000 0.756 263 E CB 2.752 32.612 29.700 0.266 0.000 1.208 263 E HN 0.834 nan 8.360 nan 0.000 0.428 264 T N -0.907 113.836 114.554 0.316 0.000 2.916 264 T HA 0.657 5.008 4.350 0.001 0.000 0.292 264 T C -1.110 173.881 174.700 0.485 0.000 1.055 264 T CA -0.763 61.624 62.100 0.480 0.000 1.009 264 T CB 1.481 70.641 68.868 0.486 0.000 1.118 264 T HN 0.434 nan 8.240 nan 0.000 0.497 265 Y N 2.123 122.653 120.300 0.384 0.000 2.457 265 Y HA 0.537 5.088 4.550 0.001 0.000 0.343 265 Y C -0.107 175.943 175.900 0.251 0.000 0.994 265 Y CA -1.646 56.624 58.100 0.283 0.000 1.031 265 Y CB 1.328 39.919 38.460 0.218 0.000 1.246 265 Y HN 0.987 nan 8.280 nan 0.000 0.449 266 L N 6.456 127.230 121.223 -0.748 0.000 3.798 266 L HA -0.263 4.077 4.340 0.001 0.000 0.582 266 L C -0.940 175.844 176.870 -0.143 0.000 1.096 266 L CA 0.510 55.017 54.840 -0.555 0.000 0.892 266 L CB -0.585 41.023 42.059 -0.752 0.000 1.181 266 L HN 0.564 nan 8.230 nan 0.000 0.772 267 L N 3.014 124.180 121.223 -0.095 0.000 2.380 267 L HA 0.122 4.463 4.340 0.001 0.000 0.273 267 L C 1.311 178.160 176.870 -0.035 0.000 1.138 267 L CA -0.193 54.589 54.840 -0.096 0.000 0.832 267 L CB 1.043 42.877 42.059 -0.376 0.000 1.124 267 L HN 0.397 nan 8.230 nan 0.000 0.454 268 E N 5.237 125.437 120.200 0.001 0.000 1.896 268 E HA -0.077 4.274 4.350 0.001 0.000 0.276 268 E C 0.517 177.121 176.600 0.006 0.000 1.171 268 E CA 0.126 56.528 56.400 0.004 0.000 1.118 268 E CB 0.154 29.855 29.700 0.002 0.000 1.077 268 E HN 0.539 nan 8.360 nan 0.000 0.452 269 K N 1.196 121.611 120.400 0.025 0.000 2.127 269 K HA -0.223 4.098 4.320 0.001 0.000 0.208 269 K C 2.009 178.604 176.600 -0.009 0.000 1.047 269 K CA 1.936 58.247 56.287 0.041 0.000 0.927 269 K CB -0.179 32.345 32.500 0.041 0.000 0.716 269 K HN 0.542 nan 8.250 nan 0.000 0.450 270 S N 0.959 116.655 115.700 -0.008 0.000 2.419 270 S HA -0.170 4.300 4.470 0.001 0.000 0.233 270 S C 2.005 176.598 174.600 -0.013 0.000 1.016 270 S CA 1.030 59.227 58.200 -0.004 0.000 0.974 270 S CB -0.185 63.028 63.200 0.021 0.000 0.786 270 S HN 0.243 nan 8.310 nan 0.000 0.492 271 R N 1.183 121.648 120.500 -0.058 0.000 2.148 271 R HA -0.030 4.310 4.340 0.001 0.000 0.227 271 R C 2.337 178.494 176.300 -0.237 0.000 1.103 271 R CA 1.220 57.248 56.100 -0.120 0.000 0.983 271 R CB -0.773 29.452 30.300 -0.124 0.000 0.874 271 R HN 0.548 nan 8.270 nan 0.000 0.451 272 V N -1.635 118.120 119.914 -0.265 0.000 2.250 272 V HA -0.291 3.830 4.120 0.001 0.000 0.250 272 V C 1.991 177.860 176.094 -0.375 0.000 1.060 272 V CA 2.453 64.537 62.300 -0.358 0.000 1.030 272 V CB -1.505 30.162 31.823 -0.261 0.000 0.643 272 V HN 0.543 nan 8.190 nan 0.000 0.445 273 T N -4.547 109.904 114.554 -0.172 0.000 3.037 273 T HA 0.210 4.560 4.350 0.001 0.000 0.252 273 T C 0.320 174.995 174.700 -0.041 0.000 1.073 273 T CA 0.377 62.427 62.100 -0.083 0.000 1.091 273 T CB -0.191 68.691 68.868 0.023 0.000 0.935 273 T HN 0.662 nan 8.240 nan 0.000 0.488 274 Y N 1.274 121.468 120.300 -0.178 0.000 2.499 274 Y HA 0.613 5.164 4.550 0.002 0.000 0.347 274 Y C -1.490 174.305 175.900 -0.175 0.000 0.987 274 Y CA -1.130 56.881 58.100 -0.148 0.000 1.044 274 Y CB 1.778 40.177 38.460 -0.102 0.000 1.245 274 Y HN -0.034 nan 8.280 nan 0.000 0.461 275 Q N 5.832 124.898 119.800 -1.223 0.000 2.406 275 Q HA 0.133 4.474 4.340 0.001 0.000 0.244 275 Q C -1.181 174.257 176.000 -0.937 0.000 0.884 275 Q CA -0.860 54.449 55.803 -0.825 0.000 0.813 275 Q CB 2.091 30.543 28.738 -0.476 0.000 1.368 275 Q HN 0.848 nan 8.270 nan 0.000 0.439 276 Q N 0.611 120.025 119.800 -0.644 0.000 2.450 276 Q HA 0.061 4.402 4.340 0.001 0.000 0.294 276 Q C 0.133 175.982 176.000 -0.252 0.000 1.129 276 Q CA 0.233 55.845 55.803 -0.320 0.000 0.970 276 Q CB 0.015 28.593 28.738 -0.265 0.000 1.294 276 Q HN 0.597 nan 8.270 nan 0.000 0.453 277 S N -0.116 115.514 115.700 -0.117 0.000 2.560 277 S HA 0.287 4.758 4.470 0.001 0.000 0.276 277 S C 0.923 175.492 174.600 -0.051 0.000 1.350 277 S CA 0.272 58.432 58.200 -0.067 0.000 1.024 277 S CB 0.270 63.475 63.200 0.007 0.000 0.864 277 S HN 1.856 nan 8.310 nan 0.000 0.536 278 A N -0.949 121.844 122.820 -0.046 0.000 2.861 278 A HA -0.173 4.148 4.320 0.001 0.000 0.261 278 A C 0.407 177.947 177.584 -0.073 0.000 1.351 278 A CA 1.493 53.509 52.037 -0.036 0.000 0.904 278 A CB -2.338 16.672 19.000 0.017 0.000 1.076 278 A HN 1.319 nan 8.150 nan 0.000 0.729 279 E N -0.054 120.071 120.200 -0.125 0.000 2.336 279 E HA 0.723 5.074 4.350 0.001 0.000 0.267 279 E C -0.417 176.070 176.600 -0.188 0.000 0.906 279 E CA -0.767 55.536 56.400 -0.162 0.000 0.781 279 E CB 1.304 30.883 29.700 -0.200 0.000 1.261 279 E HN 0.557 nan 8.360 nan 0.000 0.436 280 R N 1.410 121.782 120.500 -0.212 0.000 2.923 280 R HA 0.383 4.724 4.340 0.001 0.000 0.252 280 R C 0.326 176.514 176.300 -0.187 0.000 1.130 280 R CA -0.487 55.485 56.100 -0.213 0.000 1.043 280 R CB 1.013 31.045 30.300 -0.447 0.000 1.205 280 R HN 0.842 nan 8.270 nan 0.000 0.495 281 N N -0.643 118.004 118.700 -0.088 0.000 2.418 281 N HA 0.062 4.803 4.740 0.001 0.000 0.283 281 N C -0.628 174.764 175.510 -0.196 0.000 1.267 281 N CA -0.831 52.046 53.050 -0.288 0.000 0.975 281 N CB 0.105 38.150 38.487 -0.736 0.000 1.167 281 N HN 0.466 nan 8.380 nan 0.000 0.581 282 Y N -1.648 118.569 120.300 -0.139 0.000 2.757 282 Y HA -0.054 4.496 4.550 0.001 0.000 0.344 282 Y C 1.623 177.600 175.900 0.129 0.000 1.263 282 Y CA -0.179 57.900 58.100 -0.034 0.000 1.493 282 Y CB -0.058 38.409 38.460 0.011 0.000 1.342 282 Y HN 0.482 nan 8.280 nan 0.000 0.627 283 H N 2.460 121.697 119.070 0.279 0.000 2.353 283 H HA -0.186 4.371 4.556 0.001 0.000 0.298 283 H C 2.014 177.510 175.328 0.281 0.000 1.103 283 H CA 2.312 58.499 56.048 0.232 0.000 1.293 283 H CB -0.075 29.795 29.762 0.180 0.000 1.372 283 H HN 0.760 nan 8.280 nan 0.000 0.501 284 I N 0.702 121.614 120.570 0.570 0.000 2.065 284 I HA -0.342 3.829 4.170 0.001 0.000 0.236 284 I C 2.483 178.838 176.117 0.397 0.000 1.028 284 I CA 1.590 63.170 61.300 0.467 0.000 1.299 284 I CB -0.685 37.561 38.000 0.409 0.000 1.015 284 I HN 0.068 nan 8.210 nan 0.000 0.396 285 F N 0.283 120.271 119.950 0.063 0.000 2.127 285 F HA -0.384 4.144 4.527 0.002 0.000 0.299 285 F C 2.179 177.792 175.800 -0.310 0.000 1.068 285 F CA 1.962 59.803 58.000 -0.265 0.000 1.263 285 F CB -0.505 37.992 39.000 -0.838 0.000 1.016 285 F HN 0.122 nan 8.300 nan 0.000 0.491 286 Y N -0.633 119.639 120.300 -0.047 0.000 2.420 286 Y HA -0.084 4.467 4.550 0.001 0.000 0.292 286 Y C 2.459 178.317 175.900 -0.070 0.000 1.119 286 Y CA 0.746 58.803 58.100 -0.072 0.000 1.229 286 Y CB -0.571 37.906 38.460 0.029 0.000 1.026 286 Y HN 0.063 nan 8.280 nan 0.000 0.554 287 Q N 0.453 120.369 119.800 0.193 0.000 2.016 287 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 287 Q C 2.442 178.415 176.000 -0.046 0.000 0.978 287 Q CA 1.780 57.723 55.803 0.232 0.000 0.833 287 Q CB -0.878 28.154 28.738 0.491 0.000 0.895 287 Q HN 0.718 nan 8.270 nan 0.000 0.427 288 I N -0.474 120.082 120.570 -0.024 0.000 2.502 288 I HA -0.190 3.981 4.170 0.001 0.000 0.258 288 I C 1.828 177.699 176.117 -0.409 0.000 1.172 288 I CA 1.476 62.634 61.300 -0.237 0.000 1.430 288 I CB -0.600 37.338 38.000 -0.102 0.000 1.086 288 I HN 0.204 nan 8.210 nan 0.000 0.440 289 C N 0.032 119.097 119.300 -0.392 0.000 2.548 289 C HA 0.651 5.112 4.460 0.001 0.000 0.297 289 C C 1.994 176.856 174.990 -0.213 0.000 1.422 289 C CA -0.142 58.680 59.018 -0.326 0.000 1.785 289 C CB -1.881 25.631 27.740 -0.381 0.000 2.593 289 C HN 0.622 nan 8.230 nan 0.000 0.545 290 S N -0.437 115.121 115.700 -0.237 0.000 2.514 290 S HA 0.188 4.659 4.470 0.001 0.000 0.223 290 S C 0.750 175.259 174.600 -0.152 0.000 1.046 290 S CA 0.744 58.856 58.200 -0.148 0.000 0.914 290 S CB -0.712 62.429 63.200 -0.098 0.000 0.807 290 S HN 0.828 nan 8.310 nan 0.000 0.497 291 N N -0.112 118.445 118.700 -0.238 0.000 3.069 291 N HA -0.150 4.590 4.740 0.001 0.000 0.246 291 N C 0.709 176.131 175.510 -0.146 0.000 1.121 291 N CA 0.442 53.380 53.050 -0.187 0.000 0.772 291 N CB -1.440 36.983 38.487 -0.107 0.000 1.108 291 N HN 0.540 nan 8.380 nan 0.000 0.548 292 A N 0.514 123.213 122.820 -0.202 0.000 1.968 292 A HA 0.078 4.399 4.320 0.001 0.000 0.217 292 A C 1.190 178.794 177.584 0.033 0.000 1.169 292 A CA 1.327 53.355 52.037 -0.015 0.000 0.638 292 A CB 0.009 19.116 19.000 0.179 0.000 0.812 292 A HN 0.552 nan 8.150 nan 0.000 0.446 293 I N -3.671 116.858 120.570 -0.069 0.000 2.714 293 I HA 0.357 4.528 4.170 0.001 0.000 0.276 293 I C -2.702 173.364 176.117 -0.084 0.000 1.196 293 I CA -2.144 59.159 61.300 0.006 0.000 1.068 293 I CB 1.026 39.130 38.000 0.173 0.000 1.291 293 I HN -0.149 nan 8.210 nan 0.000 0.530 294 P HA -0.175 nan 4.420 nan 0.000 0.216 294 P C 1.297 178.561 177.300 -0.059 0.000 1.150 294 P CA 1.453 64.509 63.100 -0.073 0.000 0.843 294 P CB 0.317 31.988 31.700 -0.047 0.000 0.787 295 E N -0.281 119.897 120.200 -0.038 0.000 2.147 295 E HA -0.175 4.176 4.350 0.001 0.000 0.199 295 E C 2.102 178.679 176.600 -0.037 0.000 1.005 295 E CA 0.953 57.337 56.400 -0.028 0.000 0.810 295 E CB -0.814 28.877 29.700 -0.014 0.000 0.736 295 E HN 0.364 nan 8.360 nan 0.000 0.460 296 L N 1.295 122.483 121.223 -0.058 0.000 2.291 296 L HA -0.133 4.207 4.340 0.001 0.000 0.214 296 L C 2.199 179.028 176.870 -0.068 0.000 1.120 296 L CA 0.816 55.613 54.840 -0.071 0.000 0.799 296 L CB -0.549 41.444 42.059 -0.109 0.000 0.925 296 L HN 0.273 nan 8.230 nan 0.000 0.446 297 N N 0.188 118.838 118.700 -0.083 0.000 2.060 297 N HA -0.309 4.432 4.740 0.001 0.000 0.195 297 N C 1.292 176.782 175.510 -0.034 0.000 1.028 297 N CA 1.762 54.769 53.050 -0.072 0.000 0.861 297 N CB -0.535 37.909 38.487 -0.071 0.000 1.029 297 N HN 0.468 nan 8.380 nan 0.000 0.428 298 D N 1.357 121.741 120.400 -0.027 0.000 2.317 298 D HA -0.102 4.539 4.640 0.001 0.000 0.211 298 D C 2.180 178.482 176.300 0.002 0.000 0.966 298 D CA 1.175 55.164 54.000 -0.017 0.000 0.876 298 D CB -0.128 40.660 40.800 -0.019 0.000 0.927 298 D HN 0.492 nan 8.370 nan 0.000 0.519 299 V N -1.713 118.209 119.914 0.012 0.000 2.591 299 V HA -0.057 4.063 4.120 0.001 0.000 0.249 299 V C 2.392 178.532 176.094 0.077 0.000 1.053 299 V CA 0.834 63.161 62.300 0.046 0.000 1.068 299 V CB -0.613 31.227 31.823 0.029 0.000 0.689 299 V HN 0.039 nan 8.190 nan 0.000 0.462 300 M N -0.738 118.898 119.600 0.060 0.000 2.492 300 M HA 0.397 4.878 4.480 0.001 0.000 0.255 300 M C 0.828 177.195 176.300 0.112 0.000 1.139 300 M CA 0.306 55.664 55.300 0.097 0.000 1.096 300 M CB 0.399 33.045 32.600 0.077 0.000 1.360 300 M HN 0.263 nan 8.290 nan 0.000 0.480 301 L N 1.483 122.743 121.223 0.061 0.000 3.754 301 L HA -0.135 4.206 4.340 0.001 0.000 0.410 301 L C -0.392 176.566 176.870 0.146 0.000 1.230 301 L CA -0.418 54.459 54.840 0.061 0.000 0.901 301 L CB -1.708 40.356 42.059 0.007 0.000 1.982 301 L HN 0.268 nan 8.230 nan 0.000 0.822 302 V N -2.843 117.116 119.914 0.074 0.000 2.667 302 V HA 0.821 4.942 4.120 0.001 0.000 0.308 302 V C 0.673 176.785 176.094 0.030 0.000 1.048 302 V CA 0.170 62.507 62.300 0.060 0.000 0.928 302 V CB 1.789 33.560 31.823 -0.086 0.000 1.004 302 V HN 0.322 nan 8.190 nan 0.000 0.444 303 T N 1.192 115.793 114.554 0.078 0.000 2.744 303 T HA 0.502 4.853 4.350 0.001 0.000 0.291 303 T C -2.189 172.512 174.700 0.002 0.000 0.957 303 T CA -1.991 60.120 62.100 0.018 0.000 1.002 303 T CB 1.013 69.881 68.868 -0.000 0.000 0.919 303 T HN 0.714 nan 8.240 nan 0.000 0.468 304 P HA 0.151 nan 4.420 nan 0.000 0.233 304 P C -0.673 176.596 177.300 -0.052 0.000 1.576 304 P CA 0.451 63.503 63.100 -0.080 0.000 0.962 304 P CB -0.326 31.322 31.700 -0.087 0.000 1.859 305 D N 0.303 120.693 120.400 -0.016 0.000 2.575 305 D HA 0.085 4.725 4.640 0.001 0.000 0.250 305 D C 0.958 177.297 176.300 0.064 0.000 1.279 305 D CA -0.206 53.798 54.000 0.006 0.000 0.925 305 D CB 1.719 42.511 40.800 -0.013 0.000 1.261 305 D HN 0.004 nan 8.370 nan 0.000 0.567 306 S N 1.725 117.460 115.700 0.058 0.000 2.395 306 S HA -0.012 4.458 4.470 0.001 0.000 0.225 306 S C 1.868 176.630 174.600 0.270 0.000 1.027 306 S CA 0.897 59.179 58.200 0.136 0.000 0.965 306 S CB -0.153 63.132 63.200 0.142 0.000 0.812 306 S HN 0.446 nan 8.310 nan 0.000 0.482 307 G N 0.769 109.667 108.800 0.162 0.000 3.028 307 G HA2 0.207 4.167 3.960 0.001 0.000 0.205 307 G HA3 0.207 4.167 3.960 0.001 0.000 0.205 307 G C 1.017 175.947 174.900 0.049 0.000 1.182 307 G CA 0.144 45.314 45.100 0.117 0.000 0.860 307 G HN 0.508 nan 8.290 nan 0.000 0.507 308 L N -1.490 119.747 121.223 0.024 0.000 2.470 308 L HA 0.316 4.656 4.340 0.001 0.000 0.219 308 L C 0.020 176.691 176.870 -0.331 0.000 1.071 308 L CA 0.031 54.754 54.840 -0.194 0.000 0.850 308 L CB 0.330 42.181 42.059 -0.347 0.000 1.040 308 L HN 0.147 nan 8.230 nan 0.000 0.475 309 Y N -0.190 120.141 120.300 0.051 0.000 2.353 309 Y HA 0.080 4.630 4.550 0.001 0.000 0.340 309 Y C 1.597 177.538 175.900 0.069 0.000 0.972 309 Y CA -0.352 57.766 58.100 0.029 0.000 1.157 309 Y CB 1.434 39.922 38.460 0.047 0.000 1.157 309 Y HN 0.000 nan 8.280 nan 0.000 0.495 310 S N 3.852 119.639 115.700 0.145 0.000 2.369 310 S HA -0.318 4.153 4.470 0.001 0.000 0.225 310 S C 1.924 176.632 174.600 0.180 0.000 1.043 310 S CA 1.691 59.965 58.200 0.122 0.000 1.074 310 S CB -0.918 62.337 63.200 0.093 0.000 0.962 310 S HN 0.756 nan 8.310 nan 0.000 0.433 311 F N 2.027 121.921 119.950 -0.093 0.000 2.380 311 F HA 0.123 4.650 4.527 0.001 0.000 0.299 311 F C 1.234 176.742 175.800 -0.487 0.000 1.064 311 F CA 0.406 58.270 58.000 -0.227 0.000 1.432 311 F CB -0.677 38.195 39.000 -0.213 0.000 1.089 311 F HN 0.368 nan 8.300 nan 0.000 0.562 312 I N 0.885 121.602 120.570 0.246 0.000 4.219 312 I HA 0.220 4.391 4.170 0.001 0.000 0.329 312 I C 0.421 176.489 176.117 -0.081 0.000 1.427 312 I CA -0.053 60.910 61.300 -0.562 0.000 1.151 312 I CB -1.049 35.952 38.000 -1.665 0.000 1.369 312 I HN 0.276 nan 8.210 nan 0.000 0.521 313 N N -0.899 117.823 118.700 0.037 0.000 2.197 313 N HA 0.007 4.747 4.740 0.001 0.000 0.228 313 N C 1.163 176.678 175.510 0.007 0.000 1.212 313 N CA -0.208 52.895 53.050 0.088 0.000 0.883 313 N CB 0.115 38.675 38.487 0.122 0.000 1.107 313 N HN 0.237 nan 8.380 nan 0.000 0.519 314 Q N 1.550 121.308 119.800 -0.071 0.000 1.975 314 Q HA -0.087 4.254 4.340 0.001 0.000 0.205 314 Q C 1.264 177.188 176.000 -0.127 0.000 0.990 314 Q CA 2.216 57.944 55.803 -0.125 0.000 0.845 314 Q CB -0.967 27.620 28.738 -0.252 0.000 0.913 314 Q HN 0.301 nan 8.270 nan 0.000 0.420 315 G N 0.907 109.610 108.800 -0.162 0.000 2.908 315 G HA2 0.101 4.062 3.960 0.001 0.000 0.188 315 G HA3 0.101 4.062 3.960 0.001 0.000 0.188 315 G C 0.121 174.981 174.900 -0.068 0.000 1.903 315 G CA 0.302 45.321 45.100 -0.135 0.000 0.883 315 G HN 0.550 nan 8.290 nan 0.000 0.515 316 C N -0.587 118.668 119.300 -0.076 0.000 2.403 316 C HA 0.723 5.184 4.460 0.001 0.000 0.361 316 C C 1.658 176.643 174.990 -0.008 0.000 1.274 316 C CA -0.574 58.407 59.018 -0.062 0.000 2.433 316 C CB 0.123 27.791 27.740 -0.121 0.000 2.323 316 C HN 0.497 nan 8.230 nan 0.000 0.614 317 L N 0.949 122.168 121.223 -0.007 0.000 2.666 317 L HA 0.210 4.551 4.340 0.001 0.000 0.184 317 L C 1.445 178.268 176.870 -0.077 0.000 1.092 317 L CA 0.622 55.527 54.840 0.108 0.000 0.857 317 L CB -0.281 41.863 42.059 0.142 0.000 1.281 317 L HN 0.888 nan 8.230 nan 0.000 0.489 318 T N -1.182 113.332 114.554 -0.066 0.000 2.884 318 T HA 0.488 4.839 4.350 0.001 0.000 0.277 318 T C -0.341 174.284 174.700 -0.126 0.000 0.976 318 T CA -0.395 61.658 62.100 -0.079 0.000 0.956 318 T CB 1.803 70.658 68.868 -0.021 0.000 1.113 318 T HN 0.025 nan 8.240 nan 0.000 0.554 319 V N -0.648 119.215 119.914 -0.084 0.000 2.637 319 V HA 0.334 4.455 4.120 0.001 0.000 0.274 319 V C -0.534 175.548 176.094 -0.019 0.000 1.004 319 V CA -1.297 60.962 62.300 -0.069 0.000 0.894 319 V CB 0.605 32.373 31.823 -0.090 0.000 1.046 319 V HN 1.071 nan 8.190 nan 0.000 0.467 320 D N 3.548 123.944 120.400 -0.006 0.000 3.061 320 D HA -0.185 4.456 4.640 0.001 0.000 0.226 320 D C 0.647 176.959 176.300 0.020 0.000 1.168 320 D CA 1.709 55.717 54.000 0.014 0.000 0.822 320 D CB -0.124 40.693 40.800 0.029 0.000 1.152 320 D HN 1.084 nan 8.370 nan 0.000 0.555 321 N N 0.965 119.675 118.700 0.016 0.000 2.869 321 N HA -0.136 4.605 4.740 0.001 0.000 0.249 321 N C -1.074 174.447 175.510 0.017 0.000 1.104 321 N CA 0.048 53.106 53.050 0.012 0.000 0.760 321 N CB -0.423 38.068 38.487 0.006 0.000 1.108 321 N HN 0.433 nan 8.380 nan 0.000 0.555 322 I N 1.108 121.692 120.570 0.022 0.000 2.529 322 I HA 0.173 4.344 4.170 0.001 0.000 0.284 322 I C -0.508 175.632 176.117 0.039 0.000 1.088 322 I CA -0.372 60.950 61.300 0.037 0.000 1.062 322 I CB 1.389 39.420 38.000 0.052 0.000 1.218 322 I HN 0.060 nan 8.210 nan 0.000 0.442 323 D N 6.232 126.659 120.400 0.045 0.000 2.411 323 D HA 0.122 4.763 4.640 0.001 0.000 0.225 323 D C 0.634 176.980 176.300 0.077 0.000 1.156 323 D CA -0.172 53.858 54.000 0.051 0.000 0.874 323 D CB 1.290 42.117 40.800 0.045 0.000 1.034 323 D HN 0.406 nan 8.370 nan 0.000 0.502 324 D N 2.621 123.072 120.400 0.086 0.000 2.221 324 D HA -0.127 4.514 4.640 0.001 0.000 0.204 324 D C 2.029 178.415 176.300 0.143 0.000 0.982 324 D CA 0.750 54.827 54.000 0.127 0.000 0.857 324 D CB 0.716 41.591 40.800 0.125 0.000 0.934 324 D HN 0.309 nan 8.370 nan 0.000 0.475 325 V N 1.850 121.822 119.914 0.097 0.000 2.223 325 V HA -0.208 3.913 4.120 0.001 0.000 0.244 325 V C 2.447 178.633 176.094 0.154 0.000 1.045 325 V CA 1.577 63.933 62.300 0.094 0.000 1.000 325 V CB -0.385 31.469 31.823 0.052 0.000 0.635 325 V HN 0.095 nan 8.190 nan 0.000 0.445 326 E N -0.297 119.971 120.200 0.113 0.000 2.153 326 E HA -0.209 4.142 4.350 0.001 0.000 0.194 326 E C 2.235 178.904 176.600 0.116 0.000 0.988 326 E CA 0.823 57.285 56.400 0.105 0.000 0.811 326 E CB -0.267 29.475 29.700 0.070 0.000 0.746 326 E HN 0.566 nan 8.360 nan 0.000 0.466 327 E N 0.190 120.467 120.200 0.128 0.000 2.106 327 E HA -0.133 4.218 4.350 0.001 0.000 0.192 327 E C 1.897 178.587 176.600 0.150 0.000 0.984 327 E CA 0.312 56.780 56.400 0.114 0.000 0.806 327 E CB -0.186 29.580 29.700 0.109 0.000 0.750 327 E HN 0.195 nan 8.360 nan 0.000 0.458 328 F N 1.983 121.977 119.950 0.074 0.000 2.102 328 F HA -0.182 4.345 4.527 0.001 0.000 0.298 328 F C 2.490 178.345 175.800 0.091 0.000 1.105 328 F CA 2.034 60.091 58.000 0.096 0.000 1.239 328 F CB -0.176 38.864 39.000 0.067 0.000 0.991 328 F HN -0.094 nan 8.300 nan 0.000 0.474 329 K N 0.507 121.019 120.400 0.188 0.000 2.001 329 K HA -0.214 4.107 4.320 0.001 0.000 0.214 329 K C 2.218 178.816 176.600 -0.003 0.000 1.050 329 K CA 2.143 58.478 56.287 0.081 0.000 0.934 329 K CB -0.619 31.954 32.500 0.122 0.000 0.718 329 K HN 0.395 nan 8.250 nan 0.000 0.443 330 L N 1.194 122.435 121.223 0.030 0.000 2.127 330 L HA -0.257 4.084 4.340 0.001 0.000 0.211 330 L C 2.922 179.803 176.870 0.018 0.000 1.089 330 L CA 1.524 56.382 54.840 0.030 0.000 0.757 330 L CB -0.641 41.442 42.059 0.040 0.000 0.899 330 L HN 0.648 nan 8.230 nan 0.000 0.434 331 C N -1.798 117.488 119.300 -0.023 0.000 2.457 331 C HA -0.096 4.365 4.460 0.001 0.000 0.278 331 C C 2.193 177.189 174.990 0.010 0.000 1.309 331 C CA 0.194 59.205 59.018 -0.012 0.000 1.735 331 C CB -0.744 26.965 27.740 -0.053 0.000 1.992 331 C HN 0.480 nan 8.230 nan 0.000 0.493 332 D N 1.015 121.344 120.400 -0.118 0.000 2.084 332 D HA -0.110 4.531 4.640 0.001 0.000 0.196 332 D C 2.208 178.567 176.300 0.098 0.000 0.985 332 D CA 1.358 55.324 54.000 -0.056 0.000 0.826 332 D CB -0.387 40.247 40.800 -0.276 0.000 0.978 332 D HN 0.580 nan 8.370 nan 0.000 0.456 333 E N 1.067 121.301 120.200 0.055 0.000 2.130 333 E HA -0.173 4.178 4.350 0.001 0.000 0.196 333 E C 2.044 178.717 176.600 0.122 0.000 0.998 333 E CA 0.794 57.244 56.400 0.084 0.000 0.806 333 E CB -0.214 29.520 29.700 0.058 0.000 0.738 333 E HN 0.215 nan 8.360 nan 0.000 0.459 334 A N 0.280 123.177 122.820 0.129 0.000 2.066 334 A HA -0.102 4.219 4.320 0.001 0.000 0.218 334 A C 1.924 179.648 177.584 0.233 0.000 1.157 334 A CA 0.585 52.712 52.037 0.149 0.000 0.670 334 A CB -0.566 18.508 19.000 0.122 0.000 0.804 334 A HN 0.246 nan 8.150 nan 0.000 0.453 335 F N 1.034 121.050 119.950 0.110 0.000 2.259 335 F HA -0.094 4.434 4.527 0.001 0.000 0.298 335 F C 1.797 177.869 175.800 0.454 0.000 1.088 335 F CA 1.544 59.638 58.000 0.156 0.000 1.358 335 F CB -0.011 38.984 39.000 -0.009 0.000 1.040 335 F HN 0.253 nan 8.300 nan 0.000 0.505 336 D N 0.841 121.407 120.400 0.277 0.000 2.077 336 D HA -0.188 4.453 4.640 0.001 0.000 0.196 336 D C 2.292 178.615 176.300 0.040 0.000 0.986 336 D CA 2.142 56.228 54.000 0.142 0.000 0.829 336 D CB -0.638 40.247 40.800 0.141 0.000 0.983 336 D HN 0.479 nan 8.370 nan 0.000 0.453 337 I N -0.437 120.171 120.570 0.062 0.000 2.315 337 I HA -0.209 3.962 4.170 0.001 0.000 0.251 337 I C 2.114 178.209 176.117 -0.036 0.000 1.125 337 I CA 1.351 62.661 61.300 0.017 0.000 1.392 337 I CB -0.537 37.489 38.000 0.042 0.000 1.065 337 I HN -0.058 nan 8.210 nan 0.000 0.424 338 L N 1.273 122.496 121.223 0.001 0.000 2.465 338 L HA 0.146 4.487 4.340 0.001 0.000 0.224 338 L C 1.395 177.901 176.870 -0.606 0.000 1.145 338 L CA 0.807 55.562 54.840 -0.141 0.000 0.834 338 L CB -0.884 41.462 42.059 0.479 0.000 0.944 338 L HN 0.740 nan 8.230 nan 0.000 0.451 339 G N 0.279 108.792 108.800 -0.477 0.000 2.452 339 G HA2 -0.274 3.687 3.960 0.001 0.000 0.275 339 G HA3 -0.274 3.687 3.960 0.001 0.000 0.275 339 G C -0.419 174.000 174.900 -0.801 0.000 1.131 339 G CA -0.541 44.258 45.100 -0.502 0.000 1.031 339 G HN 0.127 nan 8.290 nan 0.000 0.511 340 F N 1.502 121.072 119.950 -0.634 0.000 2.411 340 F HA 0.551 5.079 4.527 0.001 0.000 0.352 340 F C 1.377 177.070 175.800 -0.179 0.000 1.123 340 F CA -0.102 57.376 58.000 -0.871 0.000 1.044 340 F CB 1.524 38.237 39.000 -3.810 0.000 1.135 340 F HN 0.325 nan 8.300 nan 0.000 0.461 341 T N 0.173 114.840 114.554 0.188 0.000 2.855 341 T HA 0.053 4.404 4.350 0.001 0.000 0.322 341 T C 1.303 176.244 174.700 0.402 0.000 1.088 341 T CA -0.771 61.462 62.100 0.222 0.000 1.104 341 T CB 0.799 69.763 68.868 0.159 0.000 0.996 341 T HN 0.515 nan 8.240 nan 0.000 0.549 342 K N 1.098 121.664 120.400 0.278 0.000 2.211 342 K HA -0.096 4.225 4.320 0.001 0.000 0.204 342 K C 2.163 178.887 176.600 0.207 0.000 1.047 342 K CA 1.211 57.651 56.287 0.256 0.000 0.935 342 K CB -0.129 32.462 32.500 0.152 0.000 0.728 342 K HN 0.678 nan 8.250 nan 0.000 0.452 343 E N 1.013 121.321 120.200 0.180 0.000 2.028 343 E HA -0.124 4.226 4.350 0.001 0.000 0.190 343 E C 1.929 178.618 176.600 0.149 0.000 0.984 343 E CA 0.639 57.116 56.400 0.128 0.000 0.800 343 E CB -0.021 29.737 29.700 0.097 0.000 0.758 343 E HN 0.264 nan 8.360 nan 0.000 0.448 344 E N 1.032 121.380 120.200 0.247 0.000 2.065 344 E HA -0.233 4.117 4.350 0.001 0.000 0.201 344 E C 1.966 178.668 176.600 0.171 0.000 1.016 344 E CA 1.211 57.803 56.400 0.321 0.000 0.818 344 E CB -0.287 29.771 29.700 0.595 0.000 0.749 344 E HN 0.158 nan 8.360 nan 0.000 0.453 345 K N 0.293 120.711 120.400 0.031 0.000 2.555 345 K HA -0.078 4.242 4.320 0.001 0.000 0.193 345 K C 1.647 178.138 176.600 -0.181 0.000 1.032 345 K CA 0.499 56.120 56.287 -1.109 0.000 1.004 345 K CB 0.304 31.440 32.500 -2.274 0.000 0.804 345 K HN -0.009 nan 8.250 nan 0.000 0.496 346 Q N -0.998 118.815 119.800 0.022 0.000 2.350 346 Q HA 0.114 4.455 4.340 0.001 0.000 0.225 346 Q C 1.597 177.656 176.000 0.098 0.000 0.878 346 Q CA 0.349 56.231 55.803 0.131 0.000 0.935 346 Q CB 1.008 29.792 28.738 0.077 0.000 1.099 346 Q HN 0.174 nan 8.270 nan 0.000 0.527 347 S N 0.869 116.579 115.700 0.018 0.000 2.371 347 S HA -0.041 4.430 4.470 0.001 0.000 0.224 347 S C 1.973 176.536 174.600 -0.061 0.000 1.029 347 S CA 0.838 59.022 58.200 -0.027 0.000 0.978 347 S CB 0.008 63.175 63.200 -0.055 0.000 0.833 347 S HN 0.256 nan 8.310 nan 0.000 0.466 348 M N 0.891 120.406 119.600 -0.142 0.000 2.200 348 M HA -0.072 4.409 4.480 0.001 0.000 0.261 348 M C 1.947 178.170 176.300 -0.128 0.000 1.074 348 M CA 1.676 56.828 55.300 -0.246 0.000 1.098 348 M CB -1.790 30.501 32.600 -0.515 0.000 1.268 348 M HN 0.237 nan 8.290 nan 0.000 0.432 349 F N 0.747 120.678 119.950 -0.032 0.000 2.176 349 F HA -0.269 4.259 4.527 0.001 0.000 0.301 349 F C 2.656 178.494 175.800 0.064 0.000 1.071 349 F CA 1.921 59.951 58.000 0.051 0.000 1.289 349 F CB -0.802 38.219 39.000 0.036 0.000 1.028 349 F HN 0.258 nan 8.300 nan 0.000 0.494 350 K N 0.242 120.767 120.400 0.209 0.000 2.067 350 K HA -0.123 4.198 4.320 0.001 0.000 0.203 350 K C 2.374 179.046 176.600 0.119 0.000 1.048 350 K CA 1.302 57.681 56.287 0.152 0.000 0.954 350 K CB -0.364 32.200 32.500 0.106 0.000 0.737 350 K HN 0.431 nan 8.250 nan 0.000 0.444 351 C N 0.553 119.894 119.300 0.068 0.000 2.413 351 C HA -0.072 4.389 4.460 0.001 0.000 0.277 351 C C 2.787 177.846 174.990 0.115 0.000 1.265 351 C CA 1.260 60.312 59.018 0.056 0.000 1.752 351 C CB -1.652 26.082 27.740 -0.010 0.000 1.998 351 C HN 0.626 nan 8.230 nan 0.000 0.489 352 T N -0.548 114.091 114.554 0.141 0.000 2.942 352 T HA 0.210 4.560 4.350 0.001 0.000 0.265 352 T C 1.954 176.783 174.700 0.216 0.000 1.062 352 T CA 1.367 63.595 62.100 0.215 0.000 1.139 352 T CB -0.554 68.456 68.868 0.236 0.000 0.883 352 T HN 0.737 nan 8.240 nan 0.000 0.468 353 A N 1.334 124.256 122.820 0.169 0.000 2.067 353 A HA 0.183 4.504 4.320 0.001 0.000 0.217 353 A C 2.593 180.291 177.584 0.191 0.000 1.156 353 A CA 1.227 53.315 52.037 0.084 0.000 0.683 353 A CB -0.755 18.311 19.000 0.110 0.000 0.808 353 A HN 0.517 nan 8.150 nan 0.000 0.455 354 S N 0.140 115.989 115.700 0.247 0.000 2.368 354 S HA -0.141 4.330 4.470 0.001 0.000 0.225 354 S C 1.735 176.491 174.600 0.261 0.000 1.030 354 S CA 1.522 59.904 58.200 0.305 0.000 0.999 354 S CB -0.428 62.862 63.200 0.151 0.000 0.844 354 S HN 0.492 nan 8.310 nan 0.000 0.459 355 I N 1.549 122.219 120.570 0.167 0.000 2.163 355 I HA -0.185 3.985 4.170 0.001 0.000 0.243 355 I C 1.722 177.799 176.117 -0.067 0.000 1.085 355 I CA 0.954 62.340 61.300 0.144 0.000 1.347 355 I CB -0.561 37.600 38.000 0.268 0.000 1.044 355 I HN 0.171 nan 8.210 nan 0.000 0.408 356 L N -0.088 120.925 121.223 -0.350 0.000 2.357 356 L HA -0.270 4.071 4.340 0.001 0.000 0.220 356 L C 2.201 178.777 176.870 -0.490 0.000 1.123 356 L CA 1.819 56.121 54.840 -0.895 0.000 0.782 356 L CB -1.197 40.191 42.059 -1.120 0.000 0.910 356 L HN 0.419 nan 8.230 nan 0.000 0.442 357 H N -2.964 116.084 119.070 -0.037 0.000 2.557 357 H HA 0.129 4.685 4.556 0.001 0.000 0.281 357 H C 2.146 177.520 175.328 0.076 0.000 0.990 357 H CA 0.520 56.617 56.048 0.082 0.000 1.278 357 H CB 0.054 29.862 29.762 0.077 0.000 1.451 357 H HN 0.262 nan 8.280 nan 0.000 0.516 358 M N 1.141 120.854 119.600 0.189 0.000 2.192 358 M HA -0.107 4.373 4.480 0.001 0.000 0.259 358 M C 1.879 178.259 176.300 0.133 0.000 1.071 358 M CA 1.795 57.182 55.300 0.145 0.000 1.082 358 M CB -0.080 32.598 32.600 0.131 0.000 1.373 358 M HN 0.223 nan 8.290 nan 0.000 0.408 359 G N -1.133 107.744 108.800 0.129 0.000 2.985 359 G HA2 -0.025 3.935 3.960 0.001 0.000 0.209 359 G HA3 -0.025 3.935 3.960 0.001 0.000 0.209 359 G C 1.019 175.990 174.900 0.119 0.000 1.165 359 G CA -0.025 45.154 45.100 0.132 0.000 0.776 359 G HN 0.415 nan 8.290 nan 0.000 0.541 360 E N -0.311 119.961 120.200 0.120 0.000 2.460 360 E HA 0.115 4.466 4.350 0.001 0.000 0.200 360 E C 1.025 177.679 176.600 0.091 0.000 1.011 360 E CA -0.338 56.116 56.400 0.089 0.000 0.912 360 E CB 0.221 29.977 29.700 0.094 0.000 0.953 360 E HN 0.430 nan 8.360 nan 0.000 0.494 361 M N 2.506 122.176 119.600 0.116 0.000 2.522 361 M HA 0.001 4.482 4.480 0.001 0.000 0.333 361 M C 0.187 176.574 176.300 0.145 0.000 1.632 361 M CA 0.371 55.741 55.300 0.116 0.000 1.293 361 M CB 0.106 32.778 32.600 0.119 0.000 1.857 361 M HN -0.254 nan 8.290 nan 0.000 0.456 362 K N 4.668 125.130 120.400 0.102 0.000 2.102 362 K HA 0.556 4.877 4.320 0.001 0.000 0.244 362 K C -0.862 175.829 176.600 0.151 0.000 1.021 362 K CA -0.440 55.889 56.287 0.071 0.000 0.913 362 K CB 0.753 33.224 32.500 -0.048 0.000 1.062 362 K HN 0.608 nan 8.250 nan 0.000 0.485 363 F N -1.146 118.813 119.950 0.015 0.000 2.754 363 F HA 0.667 5.195 4.527 0.001 0.000 0.320 363 F C -1.153 174.653 175.800 0.010 0.000 1.156 363 F CA -1.083 56.925 58.000 0.014 0.000 0.950 363 F CB 1.238 40.247 39.000 0.016 0.000 1.388 363 F HN 0.500 nan 8.300 nan 0.000 0.485 364 K N -0.240 120.323 120.400 0.272 0.000 2.571 364 K HA 0.309 4.630 4.320 0.001 0.000 0.289 364 K C -0.636 176.119 176.600 0.258 0.000 1.028 364 K CA -0.527 55.848 56.287 0.147 0.000 0.895 364 K CB 1.786 34.301 32.500 0.024 0.000 1.534 364 K HN 0.865 nan 8.250 nan 0.000 0.421 365 Q N 1.465 121.362 119.800 0.161 0.000 2.496 365 Q HA 0.283 4.624 4.340 0.001 0.000 0.299 365 Q C -0.402 175.642 176.000 0.073 0.000 1.044 365 Q CA 0.198 56.075 55.803 0.122 0.000 0.700 365 Q CB 0.270 29.071 28.738 0.105 0.000 3.313 365 Q HN 0.630 nan 8.270 nan 0.000 0.449 366 R N 0.917 121.449 120.500 0.053 0.000 2.106 366 R HA 0.003 4.344 4.340 0.001 0.000 0.272 366 R C -2.673 173.645 176.300 0.030 0.000 0.947 366 R CA -0.135 55.986 56.100 0.036 0.000 0.724 366 R CB -1.026 29.294 30.300 0.034 0.000 1.577 366 R HN 0.362 nan 8.270 nan 0.000 0.316 367 P HA -0.166 nan 4.420 nan 0.000 0.246 367 P C 0.009 177.321 177.300 0.020 0.000 1.092 367 P CA 1.054 64.168 63.100 0.023 0.000 0.795 367 P CB 0.303 32.014 31.700 0.018 0.000 0.700 368 R N 2.920 123.432 120.500 0.020 0.000 3.836 368 R HA -0.041 4.300 4.340 0.001 0.000 0.029 368 R C 0.524 176.834 176.300 0.017 0.000 0.820 368 R CA -0.137 55.973 56.100 0.017 0.000 2.871 368 R CB -0.481 29.829 30.300 0.016 0.000 0.930 368 R HN 0.214 nan 8.270 nan 0.000 0.519 369 E N 0.223 120.434 120.200 0.018 0.000 2.399 369 E HA 0.093 4.444 4.350 0.001 0.000 0.205 369 E C 0.242 176.854 176.600 0.019 0.000 0.906 369 E CA 0.547 56.957 56.400 0.016 0.000 0.998 369 E CB 0.984 30.693 29.700 0.014 0.000 1.002 369 E HN 0.427 nan 8.360 nan 0.000 0.501 370 E N 0.791 121.006 120.200 0.025 0.000 4.756 370 E HA -0.229 4.121 4.350 0.001 0.000 0.242 370 E C 0.952 177.569 176.600 0.028 0.000 0.834 370 E CA 1.311 57.730 56.400 0.032 0.000 2.024 370 E CB -1.029 28.690 29.700 0.030 0.000 1.768 370 E HN 0.321 nan 8.360 nan 0.000 0.481 371 Q N 1.427 121.237 119.800 0.017 0.000 2.714 371 Q HA -0.076 4.264 4.340 0.001 0.000 0.374 371 Q C -0.459 175.553 176.000 0.021 0.000 1.145 371 Q CA 1.982 57.792 55.803 0.011 0.000 0.953 371 Q CB -0.432 28.313 28.738 0.012 0.000 3.317 371 Q HN 0.693 nan 8.270 nan 0.000 0.718 372 A N 0.430 123.263 122.820 0.022 0.000 2.539 372 A HA 0.687 5.008 4.320 0.001 0.000 0.296 372 A C -1.094 176.525 177.584 0.059 0.000 1.073 372 A CA -0.678 51.389 52.037 0.051 0.000 0.700 372 A CB 1.773 20.790 19.000 0.029 0.000 1.296 372 A HN 0.608 nan 8.150 nan 0.000 0.405 373 E N 0.272 120.525 120.200 0.089 0.000 2.281 373 E HA 0.530 4.881 4.350 0.001 0.000 0.262 373 E C -0.144 176.523 176.600 0.111 0.000 0.933 373 E CA -0.554 55.893 56.400 0.078 0.000 0.809 373 E CB 2.035 31.770 29.700 0.058 0.000 1.242 373 E HN 0.567 nan 8.360 nan 0.000 0.418 374 S N 0.091 115.843 115.700 0.086 0.000 2.634 374 S HA 0.062 4.532 4.470 0.001 0.000 0.261 374 S C -0.067 174.574 174.600 0.068 0.000 1.271 374 S CA -0.174 58.083 58.200 0.094 0.000 0.985 374 S CB 0.417 63.657 63.200 0.066 0.000 0.968 374 S HN 0.513 nan 8.310 nan 0.000 0.568 375 D N 0.367 120.799 120.400 0.052 0.000 2.945 375 D HA 0.429 5.070 4.640 0.001 0.000 0.369 375 D C 0.077 176.381 176.300 0.007 0.000 1.294 375 D CA 0.481 54.486 54.000 0.008 0.000 0.778 375 D CB -0.154 40.622 40.800 -0.040 0.000 1.188 375 D HN 0.881 nan 8.370 nan 0.000 0.479 376 G N -0.380 108.430 108.800 0.017 0.000 2.318 376 G HA2 -0.098 3.863 3.960 0.001 0.000 0.367 376 G HA3 -0.098 3.863 3.960 0.001 0.000 0.367 376 G C 0.124 175.037 174.900 0.023 0.000 1.260 376 G CA 0.168 45.276 45.100 0.013 0.000 1.055 376 G HN 0.085 nan 8.290 nan 0.000 0.484 377 T N -0.550 114.016 114.554 0.020 0.000 3.339 377 T HA 0.418 4.769 4.350 0.001 0.000 0.280 377 T C 2.112 176.823 174.700 0.019 0.000 0.857 377 T CA 1.466 63.580 62.100 0.024 0.000 0.838 377 T CB -0.182 68.698 68.868 0.020 0.000 1.241 377 T HN 1.773 nan 8.240 nan 0.000 0.713 378 A N 2.768 125.594 122.820 0.011 0.000 1.869 378 A HA -0.228 4.093 4.320 0.001 0.000 0.218 378 A C 2.222 179.812 177.584 0.010 0.000 1.203 378 A CA 2.275 54.313 52.037 0.002 0.000 0.638 378 A CB -0.466 18.532 19.000 -0.002 0.000 0.831 378 A HN 0.618 nan 8.150 nan 0.000 0.450 379 E N 0.145 120.368 120.200 0.038 0.000 2.152 379 E HA 0.018 4.369 4.350 0.001 0.000 0.192 379 E C 1.870 178.510 176.600 0.066 0.000 0.983 379 E CA 1.186 57.632 56.400 0.077 0.000 0.818 379 E CB -0.763 29.003 29.700 0.111 0.000 0.758 379 E HN 0.537 nan 8.360 nan 0.000 0.467 380 A N 1.182 124.035 122.820 0.056 0.000 2.168 380 A HA -0.095 4.225 4.320 0.001 0.000 0.215 380 A C 2.057 179.664 177.584 0.039 0.000 1.152 380 A CA 1.046 53.117 52.037 0.055 0.000 0.716 380 A CB -0.267 18.767 19.000 0.056 0.000 0.794 380 A HN 0.177 nan 8.150 nan 0.000 0.465 381 E N 0.627 120.841 120.200 0.023 0.000 2.075 381 E HA -0.070 4.281 4.350 0.001 0.000 0.190 381 E C 1.620 178.238 176.600 0.031 0.000 0.969 381 E CA 0.769 57.186 56.400 0.029 0.000 0.815 381 E CB -0.161 29.546 29.700 0.012 0.000 0.776 381 E HN 0.607 nan 8.360 nan 0.000 0.457 382 K N 0.725 121.093 120.400 -0.053 0.000 2.173 382 K HA -0.178 4.143 4.320 0.001 0.000 0.207 382 K C 2.231 178.776 176.600 -0.092 0.000 1.046 382 K CA 1.806 58.000 56.287 -0.154 0.000 0.929 382 K CB -0.363 31.906 32.500 -0.385 0.000 0.720 382 K HN 0.162 nan 8.250 nan 0.000 0.453 383 V N -1.639 118.245 119.914 -0.050 0.000 2.255 383 V HA -0.088 4.032 4.120 0.001 0.000 0.243 383 V C 2.310 178.433 176.094 0.047 0.000 1.038 383 V CA 1.610 63.918 62.300 0.013 0.000 1.008 383 V CB -1.110 30.746 31.823 0.055 0.000 0.645 383 V HN 0.209 nan 8.190 nan 0.000 0.449 384 A N -0.079 122.774 122.820 0.056 0.000 1.940 384 A HA -0.134 4.187 4.320 0.001 0.000 0.219 384 A C 2.092 179.705 177.584 0.049 0.000 1.176 384 A CA 2.035 54.100 52.037 0.046 0.000 0.631 384 A CB -0.920 18.109 19.000 0.048 0.000 0.814 384 A HN 0.698 nan 8.150 nan 0.000 0.446 385 F N 0.455 120.376 119.950 -0.047 0.000 2.026 385 F HA -0.182 4.345 4.527 0.001 0.000 0.296 385 F C 1.791 177.564 175.800 -0.044 0.000 1.133 385 F CA 2.006 59.978 58.000 -0.048 0.000 1.188 385 F CB -0.444 38.518 39.000 -0.064 0.000 0.968 385 F HN 0.140 nan 8.300 nan 0.000 0.476 386 L N 0.627 121.921 121.223 0.118 0.000 2.187 386 L HA -0.222 4.119 4.340 0.001 0.000 0.213 386 L C 2.507 179.329 176.870 -0.080 0.000 1.100 386 L CA 1.678 56.530 54.840 0.020 0.000 0.765 386 L CB -1.595 40.524 42.059 0.100 0.000 0.904 386 L HN 0.618 nan 8.230 nan 0.000 0.437 387 C N -2.325 116.934 119.300 -0.069 0.000 2.791 387 C HA 0.648 5.108 4.460 0.001 0.000 0.270 387 C C 1.566 176.490 174.990 -0.110 0.000 1.257 387 C CA -0.499 58.475 59.018 -0.074 0.000 1.699 387 C CB -1.096 26.624 27.740 -0.033 0.000 1.904 387 C HN 0.659 nan 8.230 nan 0.000 0.603 388 G N 1.885 110.580 108.800 -0.174 0.000 2.338 388 G HA2 -0.178 3.783 3.960 0.001 0.000 0.296 388 G HA3 -0.178 3.783 3.960 0.001 0.000 0.296 388 G C -0.463 174.372 174.900 -0.108 0.000 1.040 388 G CA 0.889 45.880 45.100 -0.183 0.000 1.004 388 G HN 1.598 nan 8.290 nan 0.000 0.509 389 I N -3.277 117.248 120.570 -0.075 0.000 3.074 389 I HA 0.775 4.946 4.170 0.001 0.000 0.310 389 I C -0.438 175.669 176.117 -0.017 0.000 1.153 389 I CA -2.309 58.968 61.300 -0.040 0.000 0.993 389 I CB 1.737 39.721 38.000 -0.028 0.000 1.237 389 I HN 0.014 nan 8.210 nan 0.000 0.443 390 N N 3.182 121.878 118.700 -0.007 0.000 2.452 390 N HA 0.374 5.115 4.740 0.001 0.000 0.266 390 N C 0.975 176.496 175.510 0.018 0.000 1.175 390 N CA 0.686 53.741 53.050 0.008 0.000 0.945 390 N CB 1.499 39.990 38.487 0.006 0.000 1.063 390 N HN 0.883 nan 8.380 nan 0.000 0.472 391 A N 3.410 126.248 122.820 0.030 0.000 2.024 391 A HA -0.084 4.236 4.320 0.001 0.000 0.220 391 A C 1.884 179.483 177.584 0.026 0.000 1.164 391 A CA 1.889 53.946 52.037 0.033 0.000 0.643 391 A CB -1.064 17.961 19.000 0.041 0.000 0.806 391 A HN 0.745 nan 8.150 nan 0.000 0.451 392 G N -0.222 108.591 108.800 0.022 0.000 2.505 392 G HA2 -0.210 3.751 3.960 0.001 0.000 0.214 392 G HA3 -0.210 3.751 3.960 0.001 0.000 0.214 392 G C 1.138 176.047 174.900 0.015 0.000 1.237 392 G CA 0.924 46.035 45.100 0.018 0.000 0.802 392 G HN 0.478 nan 8.290 nan 0.000 0.549 393 D N 0.316 120.723 120.400 0.012 0.000 2.280 393 D HA -0.097 4.544 4.640 0.001 0.000 0.206 393 D C 2.395 178.701 176.300 0.009 0.000 0.988 393 D CA 0.476 54.481 54.000 0.008 0.000 0.886 393 D CB 0.093 40.895 40.800 0.004 0.000 0.914 393 D HN 0.243 nan 8.370 nan 0.000 0.473 394 L N 0.471 121.702 121.223 0.013 0.000 1.947 394 L HA -0.081 4.259 4.340 0.001 0.000 0.211 394 L C 2.612 179.493 176.870 0.018 0.000 1.098 394 L CA 0.476 55.325 54.840 0.016 0.000 0.767 394 L CB -0.642 41.429 42.059 0.021 0.000 0.891 394 L HN 0.026 nan 8.230 nan 0.000 0.436 395 L N 0.280 121.517 121.223 0.024 0.000 2.283 395 L HA -0.323 4.018 4.340 0.001 0.000 0.217 395 L C 2.539 179.421 176.870 0.020 0.000 1.104 395 L CA 1.541 56.397 54.840 0.026 0.000 0.772 395 L CB -0.224 41.854 42.059 0.032 0.000 0.899 395 L HN 0.338 nan 8.230 nan 0.000 0.439 396 K N 0.156 120.566 120.400 0.016 0.000 1.980 396 K HA -0.099 4.221 4.320 0.001 0.000 0.208 396 K C 1.802 178.407 176.600 0.008 0.000 1.043 396 K CA 1.228 57.522 56.287 0.012 0.000 0.938 396 K CB -0.276 32.231 32.500 0.010 0.000 0.724 396 K HN 0.362 nan 8.250 nan 0.000 0.438 397 A N 0.784 123.608 122.820 0.007 0.000 2.264 397 A HA 0.021 4.342 4.320 0.001 0.000 0.207 397 A C 1.622 179.207 177.584 0.002 0.000 1.196 397 A CA 0.707 52.746 52.037 0.004 0.000 0.778 397 A CB -0.366 18.636 19.000 0.003 0.000 0.779 397 A HN 0.388 nan 8.150 nan 0.000 0.483 398 L N -2.043 119.183 121.223 0.005 0.000 2.642 398 L HA 0.262 4.603 4.340 0.001 0.000 0.233 398 L C 1.792 178.659 176.870 -0.006 0.000 1.077 398 L CA 0.305 55.146 54.840 0.001 0.000 0.879 398 L CB 0.205 42.270 42.059 0.009 0.000 1.151 398 L HN 0.368 nan 8.230 nan 0.000 0.495 399 L N -0.673 120.550 121.223 -0.000 0.000 2.638 399 L HA 0.111 4.452 4.340 0.001 0.000 0.232 399 L C 0.724 177.592 176.870 -0.003 0.000 1.099 399 L CA 0.416 55.254 54.840 -0.003 0.000 0.883 399 L CB 0.562 42.627 42.059 0.010 0.000 1.136 399 L HN 0.063 nan 8.230 nan 0.000 0.492 400 K N 0.920 121.319 120.400 -0.001 0.000 3.429 400 K HA 0.213 4.534 4.320 0.001 0.000 0.166 400 K C -2.586 174.013 176.600 -0.001 0.000 1.079 400 K CA -1.309 54.977 56.287 -0.001 0.000 0.750 400 K CB 0.891 33.392 32.500 0.003 0.000 0.883 400 K HN -0.223 nan 8.250 nan 0.000 0.549 401 P HA -0.135 nan 4.420 nan 0.000 0.263 401 P C -0.716 176.582 177.300 -0.002 0.000 1.168 401 P CA 0.410 63.508 63.100 -0.004 0.000 0.759 401 P CB 0.683 32.379 31.700 -0.006 0.000 0.782 411 T N 0.738 115.292 114.554 0.000 0.000 2.701 411 T HA 0.582 4.933 4.350 0.001 0.000 0.303 411 T C -0.043 174.657 174.700 -0.000 0.000 1.030 411 T CA 0.414 62.514 62.100 0.000 0.000 1.010 411 T CB 1.304 70.173 68.868 0.001 0.000 1.007 411 T HN 1.532 nan 8.240 nan 0.000 0.532 412 K N 0.248 120.647 120.400 -0.001 0.000 2.536 412 K HA 0.353 4.674 4.320 0.001 0.000 0.335 412 K C 0.128 176.726 176.600 -0.003 0.000 1.390 412 K CA -0.319 55.967 56.287 -0.001 0.000 1.083 412 K CB 0.085 32.584 32.500 -0.002 0.000 1.416 412 K HN 1.066 nan 8.250 nan 0.000 0.509 413 G N 2.242 111.040 108.800 -0.002 0.000 2.630 413 G HA2 0.123 4.084 3.960 0.001 0.000 0.236 413 G HA3 0.123 4.084 3.960 0.001 0.000 0.236 413 G C -0.550 174.345 174.900 -0.009 0.000 1.248 413 G CA -0.093 45.005 45.100 -0.004 0.000 0.844 413 G HN 0.443 nan 8.290 nan 0.000 0.588 414 Q N -0.336 119.454 119.800 -0.015 0.000 2.345 414 Q HA 0.202 4.542 4.340 0.001 0.000 0.268 414 Q C 0.412 176.392 176.000 -0.034 0.000 1.054 414 Q CA -0.696 55.091 55.803 -0.027 0.000 0.835 414 Q CB 2.081 30.796 28.738 -0.038 0.000 1.339 414 Q HN 0.866 nan 8.270 nan 0.000 0.447 415 N N -0.355 118.321 118.700 -0.041 0.000 2.332 415 N HA 0.112 4.853 4.740 0.001 0.000 0.282 415 N C 0.971 176.424 175.510 -0.094 0.000 1.288 415 N CA -0.300 52.724 53.050 -0.043 0.000 0.949 415 N CB 0.582 39.050 38.487 -0.032 0.000 1.108 415 N HN 0.432 nan 8.380 nan 0.000 0.542 416 M N -0.573 118.967 119.600 -0.101 0.000 2.319 416 M HA -0.069 4.412 4.480 0.001 0.000 0.265 416 M C 1.360 177.354 176.300 -0.510 0.000 1.068 416 M CA 1.057 56.203 55.300 -0.258 0.000 1.118 416 M CB -0.711 31.874 32.600 -0.026 0.000 1.395 416 M HN 0.694 nan 8.290 nan 0.000 0.435 417 N N -0.949 117.591 118.700 -0.267 0.000 2.482 417 N HA -0.107 4.634 4.740 0.001 0.000 0.179 417 N C 1.726 177.130 175.510 -0.177 0.000 1.039 417 N CA 0.137 53.045 53.050 -0.237 0.000 0.884 417 N CB -0.351 38.073 38.487 -0.105 0.000 1.113 417 N HN 0.215 nan 8.380 nan 0.000 0.440 418 Q N 1.723 121.447 119.800 -0.127 0.000 2.248 418 Q HA -0.106 4.235 4.340 0.001 0.000 0.208 418 Q C 2.231 178.169 176.000 -0.102 0.000 0.984 418 Q CA 1.569 57.320 55.803 -0.088 0.000 0.875 418 Q CB -0.136 28.565 28.738 -0.062 0.000 0.910 418 Q HN 0.557 nan 8.270 nan 0.000 0.433 419 V N -2.085 117.735 119.914 -0.158 0.000 2.283 419 V HA -0.104 4.017 4.120 0.001 0.000 0.239 419 V C 2.389 178.391 176.094 -0.153 0.000 1.035 419 V CA 1.572 63.781 62.300 -0.151 0.000 1.018 419 V CB -1.777 29.929 31.823 -0.194 0.000 0.658 419 V HN 0.144 nan 8.190 nan 0.000 0.459 420 V N -0.077 119.681 119.914 -0.260 0.000 2.794 420 V HA -0.207 3.914 4.120 0.001 0.000 0.260 420 V C 2.126 178.178 176.094 -0.069 0.000 1.103 420 V CA 2.587 64.790 62.300 -0.162 0.000 1.125 420 V CB -1.652 30.039 31.823 -0.221 0.000 0.702 420 V HN 0.657 nan 8.190 nan 0.000 0.494 421 N N 1.062 119.714 118.700 -0.080 0.000 2.405 421 N HA 0.006 4.747 4.740 0.001 0.000 0.175 421 N C 1.971 177.461 175.510 -0.032 0.000 1.051 421 N CA 1.380 54.403 53.050 -0.045 0.000 0.899 421 N CB 0.292 38.749 38.487 -0.050 0.000 1.000 421 N HN 0.795 nan 8.380 nan 0.000 0.451 422 S N 0.290 115.968 115.700 -0.038 0.000 2.528 422 S HA -0.013 4.458 4.470 0.001 0.000 0.219 422 S C 2.123 176.721 174.600 -0.004 0.000 0.985 422 S CA 0.421 58.608 58.200 -0.022 0.000 0.914 422 S CB -0.539 62.645 63.200 -0.027 0.000 0.776 422 S HN 0.111 nan 8.310 nan 0.000 0.526 423 V N 0.751 120.664 119.914 -0.001 0.000 2.283 423 V HA 0.177 4.298 4.120 0.001 0.000 0.243 423 V C 2.538 178.656 176.094 0.040 0.000 1.039 423 V CA 1.735 64.050 62.300 0.026 0.000 1.016 423 V CB -1.851 29.994 31.823 0.035 0.000 0.650 423 V HN 0.427 nan 8.190 nan 0.000 0.449 424 G N 0.086 108.905 108.800 0.033 0.000 2.442 424 G HA2 -0.174 3.787 3.960 0.001 0.000 0.219 424 G HA3 -0.174 3.787 3.960 0.001 0.000 0.219 424 G C 1.747 176.663 174.900 0.028 0.000 1.141 424 G CA 1.402 46.525 45.100 0.038 0.000 0.763 424 G HN 0.956 nan 8.290 nan 0.000 0.554 425 A N 0.245 123.071 122.820 0.011 0.000 1.978 425 A HA 0.088 4.409 4.320 0.001 0.000 0.220 425 A C 2.405 180.002 177.584 0.021 0.000 1.170 425 A CA 1.202 53.242 52.037 0.005 0.000 0.636 425 A CB -0.301 18.694 19.000 -0.008 0.000 0.810 425 A HN 0.384 nan 8.150 nan 0.000 0.448 426 L N -1.295 119.946 121.223 0.030 0.000 2.068 426 L HA -0.105 4.236 4.340 0.001 0.000 0.204 426 L C 3.143 180.052 176.870 0.066 0.000 1.076 426 L CA 0.930 55.794 54.840 0.041 0.000 0.753 426 L CB -0.640 41.443 42.059 0.040 0.000 0.910 426 L HN 0.456 nan 8.230 nan 0.000 0.439 427 A N 0.635 123.503 122.820 0.080 0.000 1.849 427 A HA -0.286 4.035 4.320 0.001 0.000 0.217 427 A C 2.240 179.897 177.584 0.121 0.000 1.202 427 A CA 2.161 54.267 52.037 0.114 0.000 0.629 427 A CB -0.576 18.501 19.000 0.128 0.000 0.834 427 A HN 0.322 nan 8.150 nan 0.000 0.447 428 K N 0.137 120.588 120.400 0.086 0.000 2.034 428 K HA -0.206 4.115 4.320 0.001 0.000 0.214 428 K C 2.425 179.098 176.600 0.121 0.000 1.051 428 K CA 2.047 58.388 56.287 0.089 0.000 0.931 428 K CB -0.428 32.097 32.500 0.042 0.000 0.715 428 K HN 0.694 nan 8.250 nan 0.000 0.446 429 S N 1.241 116.989 115.700 0.079 0.000 2.399 429 S HA -0.109 4.362 4.470 0.001 0.000 0.231 429 S C 2.037 176.681 174.600 0.074 0.000 1.022 429 S CA 0.799 59.038 58.200 0.065 0.000 0.983 429 S CB -0.455 62.768 63.200 0.037 0.000 0.803 429 S HN 0.192 nan 8.310 nan 0.000 0.480 430 L N -0.435 120.843 121.223 0.090 0.000 1.988 430 L HA -0.030 4.310 4.340 0.001 0.000 0.207 430 L C 2.607 179.531 176.870 0.089 0.000 1.071 430 L CA 2.006 56.891 54.840 0.074 0.000 0.744 430 L CB -0.725 41.385 42.059 0.084 0.000 0.893 430 L HN 0.347 nan 8.230 nan 0.000 0.433 431 Y N 1.132 121.447 120.300 0.025 0.000 2.241 431 Y HA -0.337 4.213 4.550 0.001 0.000 0.286 431 Y C 2.310 178.237 175.900 0.045 0.000 1.166 431 Y CA 1.839 59.951 58.100 0.021 0.000 1.203 431 Y CB -0.264 38.197 38.460 0.002 0.000 0.977 431 Y HN 0.314 nan 8.280 nan 0.000 0.529 432 D N -0.394 120.059 120.400 0.090 0.000 2.178 432 D HA -0.164 4.477 4.640 0.001 0.000 0.202 432 D C 2.177 178.483 176.300 0.010 0.000 0.974 432 D CA 1.114 55.136 54.000 0.035 0.000 0.841 432 D CB -0.251 40.597 40.800 0.082 0.000 0.953 432 D HN 0.419 nan 8.370 nan 0.000 0.478 433 R N 0.367 120.872 120.500 0.008 0.000 2.073 433 R HA -0.026 4.315 4.340 0.001 0.000 0.229 433 R C 2.336 178.636 176.300 -0.001 0.000 1.120 433 R CA 0.560 56.676 56.100 0.027 0.000 0.967 433 R CB -0.155 30.158 30.300 0.021 0.000 0.862 433 R HN 0.081 nan 8.270 nan 0.000 0.436 434 M N -0.065 119.479 119.600 -0.095 0.000 2.065 434 M HA -0.225 4.256 4.480 0.001 0.000 0.259 434 M C 1.929 178.100 176.300 -0.215 0.000 1.071 434 M CA 1.979 57.175 55.300 -0.172 0.000 1.109 434 M CB -0.378 32.085 32.600 -0.228 0.000 1.313 434 M HN 0.225 nan 8.290 nan 0.000 0.408 435 F N 1.452 121.114 119.950 -0.480 0.000 2.120 435 F HA -0.313 4.215 4.527 0.001 0.000 0.300 435 F C 1.995 177.640 175.800 -0.259 0.000 1.095 435 F CA 2.070 59.789 58.000 -0.468 0.000 1.249 435 F CB -0.513 38.148 39.000 -0.565 0.000 0.995 435 F HN 0.330 nan 8.300 nan 0.000 0.480 436 N N -0.090 118.569 118.700 -0.068 0.000 2.106 436 N HA -0.245 4.495 4.740 0.001 0.000 0.188 436 N C 1.950 177.389 175.510 -0.120 0.000 1.029 436 N CA 1.441 54.439 53.050 -0.087 0.000 0.848 436 N CB -1.144 37.369 38.487 0.044 0.000 1.007 436 N HN 0.515 nan 8.380 nan 0.000 0.423 437 W N 3.021 124.198 121.300 -0.205 0.000 2.355 437 W HA -0.081 4.580 4.660 0.001 0.000 0.309 437 W C 2.049 178.435 176.519 -0.221 0.000 1.206 437 W CA 0.603 57.845 57.345 -0.171 0.000 1.284 437 W CB -0.672 28.707 29.460 -0.135 0.000 1.145 437 W HN 0.045 nan 8.180 nan 0.000 0.502 438 L N 1.470 122.664 121.223 -0.048 0.000 2.051 438 L HA -0.290 4.051 4.340 0.001 0.000 0.214 438 L C 2.401 179.110 176.870 -0.268 0.000 1.076 438 L CA 2.761 57.475 54.840 -0.210 0.000 0.758 438 L CB -0.882 40.862 42.059 -0.524 0.000 0.890 438 L HN -0.049 nan 8.230 nan 0.000 0.433 439 V N -2.294 117.363 119.914 -0.428 0.000 2.358 439 V HA -0.219 3.902 4.120 0.001 0.000 0.246 439 V C 2.551 178.505 176.094 -0.233 0.000 1.047 439 V CA 1.642 63.723 62.300 -0.365 0.000 1.035 439 V CB -1.019 30.532 31.823 -0.454 0.000 0.658 439 V HN 0.451 nan 8.190 nan 0.000 0.452 440 R N 0.174 120.516 120.500 -0.262 0.000 2.091 440 R HA -0.147 4.194 4.340 0.001 0.000 0.238 440 R C 2.684 178.832 176.300 -0.254 0.000 1.136 440 R CA 2.150 58.082 56.100 -0.279 0.000 0.959 440 R CB -0.515 29.532 30.300 -0.421 0.000 0.856 440 R HN 0.514 nan 8.270 nan 0.000 0.437 441 R N 0.849 121.213 120.500 -0.226 0.000 2.066 441 R HA -0.100 4.241 4.340 0.001 0.000 0.232 441 R C 2.250 178.520 176.300 -0.050 0.000 1.131 441 R CA 1.655 57.697 56.100 -0.096 0.000 0.955 441 R CB -0.129 30.255 30.300 0.139 0.000 0.851 441 R HN 0.256 nan 8.270 nan 0.000 0.432 442 V N -0.905 119.013 119.914 0.008 0.000 3.078 442 V HA -0.092 4.029 4.120 0.001 0.000 0.265 442 V C 1.584 177.639 176.094 -0.066 0.000 1.122 442 V CA 1.942 64.254 62.300 0.019 0.000 1.141 442 V CB -0.766 31.085 31.823 0.046 0.000 0.735 442 V HN 0.386 nan 8.190 nan 0.000 0.498 443 N N 0.749 119.391 118.700 -0.096 0.000 2.405 443 N HA -0.086 4.655 4.740 0.001 0.000 0.175 443 N C 1.876 177.319 175.510 -0.112 0.000 1.051 443 N CA 0.711 53.705 53.050 -0.094 0.000 0.899 443 N CB 0.162 38.592 38.487 -0.095 0.000 1.000 443 N HN 0.633 nan 8.380 nan 0.000 0.451 444 K N 0.668 120.985 120.400 -0.138 0.000 2.002 444 K HA -0.111 4.210 4.320 0.001 0.000 0.209 444 K C 2.052 178.558 176.600 -0.157 0.000 1.048 444 K CA 2.002 58.198 56.287 -0.150 0.000 0.930 444 K CB -0.284 32.115 32.500 -0.168 0.000 0.714 444 K HN 0.193 nan 8.250 nan 0.000 0.438 445 T N -0.678 113.761 114.554 -0.192 0.000 2.833 445 T HA -0.125 4.226 4.350 0.001 0.000 0.269 445 T C 1.835 176.451 174.700 -0.141 0.000 1.054 445 T CA 1.119 63.093 62.100 -0.209 0.000 1.135 445 T CB -0.118 68.580 68.868 -0.283 0.000 0.869 445 T HN 0.204 nan 8.240 nan 0.000 0.466 446 L N 0.399 121.560 121.223 -0.104 0.000 2.408 446 L HA 0.216 4.556 4.340 0.001 0.000 0.215 446 L C 1.502 178.327 176.870 -0.075 0.000 1.081 446 L CA 0.374 55.168 54.840 -0.077 0.000 0.840 446 L CB -0.020 42.007 42.059 -0.054 0.000 1.002 446 L HN 0.300 nan 8.230 nan 0.000 0.468 447 D N 2.282 122.631 120.400 -0.086 0.000 2.662 447 D HA -0.039 4.602 4.640 0.001 0.000 0.228 447 D C 0.076 176.313 176.300 -0.105 0.000 1.093 447 D CA -0.044 53.897 54.000 -0.097 0.000 1.075 447 D CB 0.143 40.885 40.800 -0.097 0.000 1.122 447 D HN 0.131 nan 8.370 nan 0.000 0.475 448 T N -0.612 113.882 114.554 -0.100 0.000 2.853 448 T HA -0.000 4.351 4.350 0.001 0.000 0.298 448 T C 1.011 175.651 174.700 -0.101 0.000 0.978 448 T CA -0.537 61.508 62.100 -0.091 0.000 1.152 448 T CB 1.471 70.293 68.868 -0.077 0.000 0.914 448 T HN 0.191 nan 8.240 nan 0.000 0.539 449 K N 2.256 122.605 120.400 -0.086 0.000 2.643 449 K HA 0.193 4.514 4.320 0.001 0.000 0.193 449 K C 1.108 177.665 176.600 -0.072 0.000 1.027 449 K CA -0.103 56.135 56.287 -0.082 0.000 1.033 449 K CB -0.717 31.744 32.500 -0.064 0.000 0.827 449 K HN 0.839 nan 8.250 nan 0.000 0.500 450 A N 1.275 124.052 122.820 -0.071 0.000 2.407 450 A HA -0.018 4.303 4.320 0.001 0.000 0.257 450 A C -0.215 177.337 177.584 -0.053 0.000 1.131 450 A CA 0.008 52.013 52.037 -0.052 0.000 0.803 450 A CB 0.094 19.067 19.000 -0.045 0.000 1.083 450 A HN 0.406 nan 8.150 nan 0.000 0.512 451 K N 0.259 120.643 120.400 -0.027 0.000 2.276 451 K HA 0.285 4.606 4.320 0.001 0.000 0.285 451 K C -0.428 176.170 176.600 -0.003 0.000 1.062 451 K CA -0.045 56.234 56.287 -0.013 0.000 0.918 451 K CB 0.315 32.820 32.500 0.009 0.000 1.055 451 K HN 0.629 nan 8.250 nan 0.000 0.477 452 R N 3.526 124.023 120.500 -0.006 0.000 2.407 452 R HA 0.225 4.566 4.340 0.001 0.000 0.303 452 R C -0.068 176.288 176.300 0.094 0.000 0.981 452 R CA -0.500 55.620 56.100 0.034 0.000 0.905 452 R CB 1.311 31.610 30.300 -0.002 0.000 1.099 452 R HN 0.748 nan 8.270 nan 0.000 0.459 453 N N 0.466 119.237 118.700 0.118 0.000 2.648 453 N HA 0.086 4.827 4.740 0.001 0.000 0.234 453 N C -0.584 175.085 175.510 0.265 0.000 1.034 453 N CA 0.036 53.192 53.050 0.176 0.000 1.205 453 N CB 0.130 38.739 38.487 0.204 0.000 1.573 453 N HN 0.524 nan 8.380 nan 0.000 0.615 454 Y N -0.916 119.517 120.300 0.222 0.000 2.693 454 Y HA 0.670 5.220 4.550 0.001 0.000 0.331 454 Y C -1.154 174.952 175.900 0.343 0.000 1.092 454 Y CA -1.667 56.543 58.100 0.185 0.000 1.131 454 Y CB 0.547 39.017 38.460 0.017 0.000 1.318 454 Y HN 0.224 nan 8.280 nan 0.000 0.510 455 Y N -0.063 120.468 120.300 0.385 0.000 2.677 455 Y HA 0.795 5.346 4.550 0.001 0.000 0.334 455 Y C -2.085 174.065 175.900 0.417 0.000 1.154 455 Y CA -2.087 56.162 58.100 0.248 0.000 1.070 455 Y CB 1.515 39.911 38.460 -0.108 0.000 1.294 455 Y HN 0.716 nan 8.280 nan 0.000 0.475 456 I N 2.170 123.100 120.570 0.601 0.000 2.503 456 I HA 0.757 4.928 4.170 0.001 0.000 0.282 456 I C -0.224 176.099 176.117 0.343 0.000 1.059 456 I CA -0.834 60.754 61.300 0.479 0.000 1.081 456 I CB 0.926 39.254 38.000 0.548 0.000 1.210 456 I HN 0.953 nan 8.210 nan 0.000 0.450 457 G N 5.742 114.730 108.800 0.313 0.000 2.504 457 G HA2 0.617 4.578 3.960 0.001 0.000 0.288 457 G HA3 0.617 4.578 3.960 0.001 0.000 0.288 457 G C -1.283 173.482 174.900 -0.225 0.000 1.182 457 G CA -0.485 44.533 45.100 -0.136 0.000 0.894 457 G HN 0.500 nan 8.290 nan 0.000 0.521 458 V N 0.868 120.502 119.914 -0.467 0.000 2.686 458 V HA 0.397 4.518 4.120 0.001 0.000 0.306 458 V C -0.396 175.536 176.094 -0.271 0.000 1.065 458 V CA -0.576 61.564 62.300 -0.267 0.000 0.894 458 V CB 1.801 33.504 31.823 -0.200 0.000 1.004 458 V HN 0.594 nan 8.190 nan 0.000 0.424 459 L N 5.165 126.349 121.223 -0.066 0.000 2.305 459 L HA 0.617 4.957 4.340 0.001 0.000 0.284 459 L C -0.805 176.076 176.870 0.018 0.000 1.013 459 L CA -0.349 54.547 54.840 0.093 0.000 0.819 459 L CB 1.773 43.957 42.059 0.209 0.000 1.227 459 L HN 0.810 nan 8.230 nan 0.000 0.417 460 D N 6.415 126.832 120.400 0.028 0.000 2.408 460 D HA 0.249 4.890 4.640 0.001 0.000 0.261 460 D C -0.770 175.526 176.300 -0.008 0.000 1.190 460 D CA -0.306 53.684 54.000 -0.017 0.000 0.910 460 D CB 1.739 42.512 40.800 -0.045 0.000 1.097 460 D HN 0.286 nan 8.370 nan 0.000 0.522 461 I N -1.174 119.402 120.570 0.009 0.000 2.499 461 I HA 0.639 4.810 4.170 0.001 0.000 0.288 461 I C 0.043 176.183 176.117 0.038 0.000 1.048 461 I CA -0.787 60.528 61.300 0.025 0.000 1.062 461 I CB 1.365 39.387 38.000 0.038 0.000 1.238 461 I HN 0.306 nan 8.210 nan 0.000 0.426 462 A N 4.646 127.470 122.820 0.006 0.000 2.622 462 A HA 0.348 4.669 4.320 0.001 0.000 0.236 462 A C 0.847 178.463 177.584 0.053 0.000 1.003 462 A CA 1.148 53.182 52.037 -0.006 0.000 0.781 462 A CB -0.673 18.324 19.000 -0.004 0.000 0.902 462 A HN 1.298 nan 8.150 nan 0.000 0.496 463 G N 0.309 109.147 108.800 0.063 0.000 2.606 463 G HA2 0.501 4.462 3.960 0.001 0.000 0.262 463 G HA3 0.501 4.462 3.960 0.001 0.000 0.262 463 G C -0.111 174.895 174.900 0.176 0.000 1.394 463 G CA -0.690 44.498 45.100 0.146 0.000 1.044 463 G HN 0.894 nan 8.290 nan 0.000 0.553 464 F N 0.607 120.643 119.950 0.143 0.000 2.602 464 F HA 0.378 4.906 4.527 0.001 0.000 0.367 464 F C 0.309 176.096 175.800 -0.022 0.000 1.126 464 F CA 0.334 58.357 58.000 0.039 0.000 1.321 464 F CB 0.739 39.716 39.000 -0.040 0.000 1.094 464 F HN 0.234 nan 8.300 nan 0.000 0.594 465 E N 6.815 126.382 120.200 -1.054 0.000 2.321 465 E HA 0.256 4.607 4.350 0.001 0.000 0.281 465 E C -1.621 174.474 176.600 -0.842 0.000 0.910 465 E CA -0.599 55.416 56.400 -0.643 0.000 0.770 465 E CB 1.844 31.381 29.700 -0.272 0.000 1.225 465 E HN 0.649 nan 8.360 nan 0.000 0.417 466 I N 2.394 122.674 120.570 -0.484 0.000 2.418 466 I HA 0.568 4.739 4.170 0.001 0.000 0.287 466 I C -1.259 174.796 176.117 -0.103 0.000 1.008 466 I CA -0.604 60.506 61.300 -0.316 0.000 1.104 466 I CB 0.885 38.793 38.000 -0.154 0.000 1.264 466 I HN 0.394 nan 8.210 nan 0.000 0.438 467 F N 5.425 125.248 119.950 -0.212 0.000 2.629 467 F HA 0.487 5.015 4.527 0.001 0.000 0.386 467 F C 1.291 177.030 175.800 -0.101 0.000 1.135 467 F CA -0.300 57.628 58.000 -0.121 0.000 1.116 467 F CB 1.259 40.216 39.000 -0.071 0.000 1.426 467 F HN 0.525 nan 8.300 nan 0.000 0.501 468 D N 0.414 119.899 120.400 -1.525 0.000 2.117 468 D HA -0.143 4.498 4.640 0.001 0.000 0.197 468 D C -0.335 175.994 176.300 0.049 0.000 0.987 468 D CA 1.891 55.436 54.000 -0.757 0.000 0.829 468 D CB 0.036 40.263 40.800 -0.955 0.000 0.961 468 D HN 0.138 nan 8.370 nan 0.000 0.460 469 F N 1.005 121.238 119.950 0.471 0.000 2.518 469 F HA 0.341 4.868 4.527 0.001 0.000 0.323 469 F C -1.060 174.863 175.800 0.205 0.000 1.129 469 F CA -0.975 57.172 58.000 0.245 0.000 0.920 469 F CB 1.252 40.389 39.000 0.230 0.000 1.160 469 F HN -0.353 nan 8.300 nan 0.000 0.440 470 N N 3.840 122.111 118.700 -0.715 0.000 2.314 470 N HA 0.489 5.230 4.740 0.001 0.000 0.294 470 N C -1.025 174.184 175.510 -0.501 0.000 1.029 470 N CA -0.305 52.467 53.050 -0.464 0.000 0.845 470 N CB 2.170 40.348 38.487 -0.516 0.000 1.321 470 N HN 0.724 nan 8.380 nan 0.000 0.481 471 S N 0.476 116.159 115.700 -0.028 0.000 3.081 471 S HA 0.394 4.864 4.470 0.001 0.000 0.316 471 S C 0.917 175.812 174.600 0.492 0.000 1.089 471 S CA -0.626 57.738 58.200 0.272 0.000 0.897 471 S CB 0.429 63.846 63.200 0.361 0.000 1.358 471 S HN 0.354 nan 8.310 nan 0.000 0.678 472 F N 2.227 122.430 119.950 0.421 0.000 2.115 472 F HA -0.126 4.401 4.527 0.001 0.000 0.300 472 F C 2.437 178.205 175.800 -0.053 0.000 1.092 472 F CA 2.435 60.427 58.000 -0.013 0.000 1.245 472 F CB -0.334 37.983 39.000 -1.140 0.000 0.995 472 F HN 0.576 nan 8.300 nan 0.000 0.481 473 E N 0.070 120.299 120.200 0.048 0.000 2.058 473 E HA -0.284 4.067 4.350 0.001 0.000 0.194 473 E C 2.206 178.757 176.600 -0.081 0.000 0.997 473 E CA 1.419 57.797 56.400 -0.038 0.000 0.801 473 E CB -0.739 28.990 29.700 0.048 0.000 0.746 473 E HN 0.536 nan 8.360 nan 0.000 0.450 474 Q N 0.698 120.517 119.800 0.031 0.000 2.046 474 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 474 Q C 2.507 178.581 176.000 0.124 0.000 0.975 474 Q CA 0.734 56.580 55.803 0.072 0.000 0.836 474 Q CB -0.325 28.487 28.738 0.124 0.000 0.896 474 Q HN 0.314 nan 8.270 nan 0.000 0.428 475 L N 0.057 121.366 121.223 0.144 0.000 2.081 475 L HA -0.308 4.032 4.340 0.001 0.000 0.212 475 L C 2.670 179.545 176.870 0.008 0.000 1.080 475 L CA 1.349 56.192 54.840 0.006 0.000 0.754 475 L CB -0.447 41.574 42.059 -0.063 0.000 0.893 475 L HN 0.367 nan 8.230 nan 0.000 0.433 476 C N -0.312 118.866 119.300 -0.204 0.000 2.453 476 C HA -0.156 4.304 4.460 0.001 0.000 0.277 476 C C 2.671 177.713 174.990 0.087 0.000 1.262 476 C CA 0.693 59.614 59.018 -0.162 0.000 1.718 476 C CB -0.742 26.746 27.740 -0.421 0.000 2.031 476 C HN 0.677 nan 8.230 nan 0.000 0.480 477 I N 1.104 121.714 120.570 0.067 0.000 2.202 477 I HA -0.145 4.025 4.170 0.001 0.000 0.242 477 I C 2.092 178.338 176.117 0.215 0.000 1.091 477 I CA 2.129 63.506 61.300 0.127 0.000 1.368 477 I CB -1.125 36.908 38.000 0.056 0.000 1.058 477 I HN 0.374 nan 8.210 nan 0.000 0.410 478 N N -0.478 118.372 118.700 0.251 0.000 2.084 478 N HA -0.296 4.444 4.740 0.001 0.000 0.190 478 N C 2.201 177.997 175.510 0.478 0.000 1.030 478 N CA 1.541 54.867 53.050 0.460 0.000 0.849 478 N CB -0.331 38.454 38.487 0.497 0.000 1.012 478 N HN 0.517 nan 8.380 nan 0.000 0.423 479 Y N 1.869 122.311 120.300 0.236 0.000 2.193 479 Y HA -0.229 4.321 4.550 0.001 0.000 0.285 479 Y C 2.432 178.421 175.900 0.149 0.000 1.166 479 Y CA 1.951 60.151 58.100 0.168 0.000 1.181 479 Y CB -0.654 37.864 38.460 0.097 0.000 0.976 479 Y HN 0.044 nan 8.280 nan 0.000 0.520 480 T N 0.292 114.980 114.554 0.224 0.000 2.674 480 T HA -0.221 4.130 4.350 0.001 0.000 0.265 480 T C 1.497 176.225 174.700 0.045 0.000 1.039 480 T CA 1.950 64.103 62.100 0.089 0.000 1.150 480 T CB -0.519 68.423 68.868 0.124 0.000 0.864 480 T HN 0.468 nan 8.240 nan 0.000 0.427 481 N N 0.613 119.424 118.700 0.186 0.000 2.289 481 N HA -0.085 4.656 4.740 0.001 0.000 0.184 481 N C 1.933 177.499 175.510 0.093 0.000 1.016 481 N CA 0.716 53.896 53.050 0.215 0.000 0.872 481 N CB 0.006 38.790 38.487 0.495 0.000 0.973 481 N HN 0.368 nan 8.380 nan 0.000 0.433 482 E N 1.108 121.368 120.200 0.098 0.000 2.001 482 E HA -0.199 4.151 4.350 0.001 0.000 0.195 482 E C 1.866 178.373 176.600 -0.155 0.000 1.002 482 E CA 0.671 57.013 56.400 -0.097 0.000 0.819 482 E CB -0.463 29.146 29.700 -0.151 0.000 0.769 482 E HN 0.309 nan 8.360 nan 0.000 0.454 483 R N 1.017 121.398 120.500 -0.198 0.000 2.227 483 R HA -0.251 4.090 4.340 0.001 0.000 0.246 483 R C 2.619 178.880 176.300 -0.064 0.000 1.119 483 R CA 2.322 58.308 56.100 -0.191 0.000 0.930 483 R CB -0.920 29.226 30.300 -0.257 0.000 0.912 483 R HN 0.273 nan 8.270 nan 0.000 0.435 484 L N 0.475 121.665 121.223 -0.055 0.000 1.997 484 L HA -0.306 4.035 4.340 0.001 0.000 0.216 484 L C 2.742 179.645 176.870 0.056 0.000 1.074 484 L CA 1.985 56.830 54.840 0.008 0.000 0.763 484 L CB -0.580 41.473 42.059 -0.009 0.000 0.890 484 L HN 0.500 nan 8.230 nan 0.000 0.434 485 Q N -0.069 119.677 119.800 -0.090 0.000 2.062 485 Q HA -0.331 4.010 4.340 0.001 0.000 0.209 485 Q C 2.202 178.218 176.000 0.027 0.000 0.996 485 Q CA 2.375 58.100 55.803 -0.129 0.000 0.859 485 Q CB -0.583 27.938 28.738 -0.362 0.000 0.920 485 Q HN 0.613 nan 8.270 nan 0.000 0.415 486 Q N -0.545 119.267 119.800 0.019 0.000 2.197 486 Q HA -0.179 4.162 4.340 0.001 0.000 0.207 486 Q C 1.991 178.075 176.000 0.141 0.000 0.984 486 Q CA 1.317 57.163 55.803 0.072 0.000 0.869 486 Q CB -0.422 28.344 28.738 0.047 0.000 0.906 486 Q HN 0.396 nan 8.270 nan 0.000 0.426 487 F N 0.121 120.093 119.950 0.036 0.000 2.102 487 F HA -0.245 4.282 4.527 0.001 0.000 0.298 487 F C 2.003 177.849 175.800 0.076 0.000 1.105 487 F CA 1.662 59.695 58.000 0.054 0.000 1.239 487 F CB -0.672 38.348 39.000 0.033 0.000 0.991 487 F HN 0.139 nan 8.300 nan 0.000 0.474 488 F N 1.379 121.331 119.950 0.003 0.000 2.161 488 F HA -0.229 4.298 4.527 0.001 0.000 0.300 488 F C 2.022 177.712 175.800 -0.183 0.000 1.089 488 F CA 2.324 60.185 58.000 -0.231 0.000 1.282 488 F CB -0.947 37.785 39.000 -0.446 0.000 1.010 488 F HN 0.030 nan 8.300 nan 0.000 0.485 489 N N -1.454 117.266 118.700 0.033 0.000 2.120 489 N HA -0.234 4.507 4.740 0.001 0.000 0.188 489 N C 1.796 177.321 175.510 0.026 0.000 1.024 489 N CA 1.212 54.312 53.050 0.084 0.000 0.852 489 N CB -0.377 38.185 38.487 0.126 0.000 1.003 489 N HN 0.494 nan 8.380 nan 0.000 0.424 490 H N -0.178 118.810 119.070 -0.137 0.000 2.261 490 H HA -0.144 4.413 4.556 0.001 0.000 0.301 490 H C 2.198 177.395 175.328 -0.219 0.000 1.067 490 H CA 1.939 57.900 56.048 -0.145 0.000 1.297 490 H CB -0.206 29.452 29.762 -0.173 0.000 1.377 490 H HN 0.328 nan 8.280 nan 0.000 0.492 491 H N -0.947 118.022 119.070 -0.168 0.000 2.489 491 H HA -0.117 4.440 4.556 0.001 0.000 0.293 491 H C 2.313 177.407 175.328 -0.389 0.000 1.066 491 H CA 1.428 57.311 56.048 -0.274 0.000 1.305 491 H CB 0.043 29.482 29.762 -0.540 0.000 1.386 491 H HN 0.443 nan 8.280 nan 0.000 0.551 492 M N -1.227 118.135 119.600 -0.396 0.000 2.325 492 M HA 0.022 4.503 4.480 0.001 0.000 0.265 492 M C 0.620 176.393 176.300 -0.880 0.000 1.094 492 M CA 1.266 56.113 55.300 -0.754 0.000 1.161 492 M CB 0.323 32.086 32.600 -1.396 0.000 1.358 492 M HN 0.256 nan 8.290 nan 0.000 0.446 493 F N -0.541 119.182 119.950 -0.379 0.000 2.539 493 F HA 0.136 4.664 4.527 0.001 0.000 0.277 493 F C 1.936 177.646 175.800 -0.150 0.000 0.925 493 F CA 0.359 58.152 58.000 -0.345 0.000 1.193 493 F CB -0.804 38.000 39.000 -0.326 0.000 1.128 493 F HN 0.074 nan 8.300 nan 0.000 0.740 494 I N 0.043 120.661 120.570 0.081 0.000 2.145 494 I HA -0.276 3.895 4.170 0.001 0.000 0.244 494 I C 1.941 177.978 176.117 -0.133 0.000 1.075 494 I CA 1.916 63.197 61.300 -0.031 0.000 1.332 494 I CB -1.073 36.768 38.000 -0.265 0.000 1.033 494 I HN 0.154 nan 8.210 nan 0.000 0.410 495 L N 0.095 121.184 121.223 -0.223 0.000 1.961 495 L HA -0.141 4.200 4.340 0.001 0.000 0.209 495 L C 2.934 179.684 176.870 -0.200 0.000 1.075 495 L CA 1.627 56.339 54.840 -0.213 0.000 0.749 495 L CB -0.808 41.105 42.059 -0.244 0.000 0.890 495 L HN 0.308 nan 8.230 nan 0.000 0.433 496 E N -0.077 119.990 120.200 -0.221 0.000 2.149 496 E HA -0.357 3.993 4.350 0.001 0.000 0.215 496 E C 1.996 178.587 176.600 -0.014 0.000 1.055 496 E CA 1.742 58.046 56.400 -0.160 0.000 0.870 496 E CB -0.484 29.141 29.700 -0.126 0.000 0.764 496 E HN 0.451 nan 8.360 nan 0.000 0.463 497 Q N 0.233 120.012 119.800 -0.035 0.000 2.167 497 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 497 Q C 1.907 177.871 176.000 -0.059 0.000 0.970 497 Q CA 0.922 56.668 55.803 -0.094 0.000 0.855 497 Q CB 0.125 28.794 28.738 -0.115 0.000 0.911 497 Q HN 0.280 nan 8.270 nan 0.000 0.438 498 E N 0.647 120.797 120.200 -0.082 0.000 2.038 498 E HA -0.185 4.165 4.350 0.001 0.000 0.195 498 E C 1.844 178.348 176.600 -0.159 0.000 1.000 498 E CA 0.913 57.257 56.400 -0.093 0.000 0.803 498 E CB -0.061 29.590 29.700 -0.082 0.000 0.750 498 E HN 0.395 nan 8.360 nan 0.000 0.448 499 E N 0.250 120.293 120.200 -0.262 0.000 2.118 499 E HA -0.178 4.173 4.350 0.001 0.000 0.195 499 E C 2.119 178.295 176.600 -0.707 0.000 0.992 499 E CA 0.804 56.998 56.400 -0.343 0.000 0.804 499 E CB -0.438 29.029 29.700 -0.388 0.000 0.741 499 E HN 0.423 nan 8.360 nan 0.000 0.458 500 Y N 1.256 121.007 120.300 -0.915 0.000 2.207 500 Y HA -0.207 4.344 4.550 0.001 0.000 0.287 500 Y C 2.597 178.112 175.900 -0.641 0.000 1.156 500 Y CA 1.639 58.948 58.100 -1.318 0.000 1.182 500 Y CB -0.258 37.633 38.460 -0.948 0.000 0.979 500 Y HN -0.005 nan 8.280 nan 0.000 0.521 501 K N 0.350 120.628 120.400 -0.202 0.000 2.007 501 K HA -0.186 4.135 4.320 0.001 0.000 0.206 501 K C 2.033 178.628 176.600 -0.010 0.000 1.047 501 K CA 1.362 57.608 56.287 -0.068 0.000 0.937 501 K CB -0.042 32.433 32.500 -0.041 0.000 0.718 501 K HN -0.052 nan 8.250 nan 0.000 0.438 502 K N 1.217 121.608 120.400 -0.015 0.000 2.001 502 K HA -0.185 4.136 4.320 0.001 0.000 0.223 502 K C 2.001 178.694 176.600 0.156 0.000 1.055 502 K CA 2.155 58.475 56.287 0.056 0.000 0.965 502 K CB -0.307 32.222 32.500 0.049 0.000 0.730 502 K HN 0.208 nan 8.250 nan 0.000 0.449 503 E N -0.857 119.537 120.200 0.323 0.000 2.219 503 E HA -0.131 4.220 4.350 0.001 0.000 0.198 503 E C 0.825 177.654 176.600 0.382 0.000 0.998 503 E CA 1.347 58.039 56.400 0.487 0.000 0.818 503 E CB -0.294 30.126 29.700 1.200 0.000 0.741 503 E HN 0.555 nan 8.360 nan 0.000 0.477 504 G N 1.475 110.437 108.800 0.269 0.000 2.303 504 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 504 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 504 G C 0.148 175.154 174.900 0.177 0.000 1.106 504 G CA 0.390 45.593 45.100 0.172 0.000 0.900 504 G HN 0.244 nan 8.290 nan 0.000 0.495 505 I N 0.439 121.121 120.570 0.186 0.000 4.062 505 I HA 0.916 5.087 4.170 0.001 0.000 0.202 505 I C 0.792 176.889 176.117 -0.034 0.000 1.549 505 I CA -0.468 60.903 61.300 0.120 0.000 0.826 505 I CB 0.911 39.033 38.000 0.203 0.000 1.835 505 I HN 1.085 nan 8.210 nan 0.000 0.851 506 A N 0.653 123.338 122.820 -0.225 0.000 2.401 506 A HA 0.754 5.075 4.320 0.001 0.000 0.310 506 A C -1.520 175.870 177.584 -0.322 0.000 1.075 506 A CA -0.356 51.491 52.037 -0.317 0.000 0.746 506 A CB 0.992 19.654 19.000 -0.564 0.000 1.277 506 A HN 0.746 nan 8.150 nan 0.000 0.425 507 W N 0.950 122.016 121.300 -0.390 0.000 3.265 507 W HA 0.277 4.938 4.660 0.001 0.000 0.321 507 W C -2.280 174.155 176.519 -0.141 0.000 1.062 507 W CA -0.259 56.897 57.345 -0.316 0.000 1.059 507 W CB 0.703 29.905 29.460 -0.431 0.000 1.418 507 W HN 0.761 nan 8.180 nan 0.000 0.558 508 E N 3.169 123.168 120.200 -0.335 0.000 2.210 508 E HA 0.273 4.624 4.350 0.001 0.000 0.266 508 E C -0.936 175.753 176.600 0.149 0.000 0.883 508 E CA -0.722 55.633 56.400 -0.074 0.000 0.761 508 E CB 1.671 31.237 29.700 -0.223 0.000 1.156 508 E HN 0.296 nan 8.360 nan 0.000 0.412 509 F N 5.304 125.401 119.950 0.244 0.000 2.586 509 F HA 0.118 4.646 4.527 0.001 0.000 0.344 509 F C 0.297 176.193 175.800 0.159 0.000 1.188 509 F CA 0.104 58.272 58.000 0.280 0.000 1.359 509 F CB 0.472 39.547 39.000 0.123 0.000 1.129 509 F HN 0.334 nan 8.300 nan 0.000 0.609 510 I N 3.309 123.115 120.570 -1.274 0.000 2.548 510 I HA 0.262 4.433 4.170 0.001 0.000 0.287 510 I C -1.818 173.416 176.117 -1.472 0.000 1.103 510 I CA -0.839 59.861 61.300 -1.000 0.000 1.049 510 I CB 1.766 39.377 38.000 -0.649 0.000 1.232 510 I HN 0.599 nan 8.210 nan 0.000 0.429 511 D N 5.748 125.805 120.400 -0.573 0.000 2.411 511 D HA 0.191 4.832 4.640 0.001 0.000 0.225 511 D C 0.127 176.209 176.300 -0.365 0.000 1.156 511 D CA -0.402 53.560 54.000 -0.064 0.000 0.874 511 D CB 0.947 41.892 40.800 0.243 0.000 1.034 511 D HN 0.524 nan 8.370 nan 0.000 0.502 512 F N 1.387 121.171 119.950 -0.276 0.000 2.811 512 F HA 0.187 4.715 4.527 0.001 0.000 0.301 512 F C 2.025 177.608 175.800 -0.362 0.000 1.151 512 F CA 0.163 57.874 58.000 -0.482 0.000 1.412 512 F CB -0.155 38.057 39.000 -1.313 0.000 1.113 512 F HN 0.613 nan 8.300 nan 0.000 0.579 513 G N 2.014 110.772 108.800 -0.070 0.000 2.290 513 G HA2 -0.292 3.669 3.960 0.001 0.000 0.270 513 G HA3 -0.292 3.669 3.960 0.001 0.000 0.270 513 G C -0.153 174.706 174.900 -0.069 0.000 0.891 513 G CA 0.002 45.075 45.100 -0.045 0.000 1.321 513 G HN 0.331 nan 8.290 nan 0.000 0.425 514 M N 1.896 121.452 119.600 -0.073 0.000 1.988 514 M HA 0.258 4.739 4.480 0.001 0.000 0.243 514 M C -1.149 175.148 176.300 -0.006 0.000 0.897 514 M CA -0.512 54.751 55.300 -0.061 0.000 0.935 514 M CB 1.690 34.206 32.600 -0.140 0.000 1.956 514 M HN 0.406 nan 8.290 nan 0.000 0.389 515 D N 2.580 122.984 120.400 0.008 0.000 2.947 515 D HA 0.413 5.054 4.640 0.001 0.000 0.224 515 D C -0.867 175.446 176.300 0.022 0.000 1.230 515 D CA -0.341 53.672 54.000 0.022 0.000 0.871 515 D CB 2.753 43.566 40.800 0.022 0.000 1.671 515 D HN 0.593 nan 8.370 nan 0.000 0.507 516 L N 2.850 124.089 121.223 0.026 0.000 3.135 516 L HA 0.061 4.402 4.340 0.001 0.000 0.279 516 L C 1.991 178.877 176.870 0.026 0.000 1.200 516 L CA -0.143 54.711 54.840 0.023 0.000 1.016 516 L CB 0.513 42.578 42.059 0.009 0.000 1.391 516 L HN 0.457 nan 8.230 nan 0.000 0.588 517 Q N 0.830 120.649 119.800 0.032 0.000 2.224 517 Q HA -0.271 4.070 4.340 0.001 0.000 0.213 517 Q C 1.931 177.960 176.000 0.048 0.000 0.998 517 Q CA 1.995 57.822 55.803 0.040 0.000 0.895 517 Q CB 0.058 28.820 28.738 0.040 0.000 0.926 517 Q HN 0.451 nan 8.270 nan 0.000 0.417 518 M N -0.024 119.603 119.600 0.046 0.000 2.479 518 M HA -0.220 4.261 4.480 0.001 0.000 0.269 518 M C 2.729 179.070 176.300 0.069 0.000 1.076 518 M CA 1.666 56.999 55.300 0.055 0.000 1.086 518 M CB -2.151 30.479 32.600 0.050 0.000 1.230 518 M HN 0.562 nan 8.290 nan 0.000 0.474 519 C N 0.827 120.170 119.300 0.071 0.000 2.344 519 C HA -0.239 4.222 4.460 0.001 0.000 0.267 519 C C 2.590 177.644 174.990 0.106 0.000 1.124 519 C CA 1.240 60.314 59.018 0.092 0.000 1.819 519 C CB -1.875 25.910 27.740 0.075 0.000 2.098 519 C HN 0.567 nan 8.230 nan 0.000 0.442 520 I N 1.828 122.437 120.570 0.066 0.000 2.118 520 I HA -0.229 3.941 4.170 0.001 0.000 0.241 520 I C 2.688 178.922 176.117 0.194 0.000 1.070 520 I CA 2.616 63.960 61.300 0.073 0.000 1.327 520 I CB -0.793 37.208 38.000 0.002 0.000 1.034 520 I HN 0.505 nan 8.210 nan 0.000 0.405 521 D N 0.440 120.914 120.400 0.123 0.000 2.117 521 D HA -0.174 4.466 4.640 0.001 0.000 0.197 521 D C 2.341 178.701 176.300 0.101 0.000 0.987 521 D CA 1.198 55.266 54.000 0.114 0.000 0.829 521 D CB 0.009 40.858 40.800 0.082 0.000 0.961 521 D HN 0.290 nan 8.370 nan 0.000 0.460 522 L N 0.330 121.591 121.223 0.063 0.000 2.081 522 L HA -0.208 4.133 4.340 0.001 0.000 0.212 522 L C 2.561 179.375 176.870 -0.093 0.000 1.080 522 L CA 0.733 55.533 54.840 -0.068 0.000 0.754 522 L CB -0.234 41.778 42.059 -0.079 0.000 0.893 522 L HN 0.183 nan 8.230 nan 0.000 0.433 523 I N -1.161 119.446 120.570 0.062 0.000 2.556 523 I HA -0.131 4.040 4.170 0.001 0.000 0.251 523 I C 2.276 178.385 176.117 -0.013 0.000 1.105 523 I CA 1.475 62.800 61.300 0.043 0.000 1.436 523 I CB -0.292 37.862 38.000 0.257 0.000 1.139 523 I HN 0.113 nan 8.210 nan 0.000 0.438 524 E N 1.032 121.324 120.200 0.153 0.000 2.166 524 E HA -0.059 4.292 4.350 0.001 0.000 0.192 524 E C 0.978 177.634 176.600 0.094 0.000 0.967 524 E CA -0.047 56.412 56.400 0.098 0.000 0.840 524 E CB 0.090 29.989 29.700 0.333 0.000 0.795 524 E HN 0.379 nan 8.360 nan 0.000 0.470 525 K N 1.338 121.803 120.400 0.109 0.000 2.508 525 K HA -0.074 4.247 4.320 0.001 0.000 0.273 525 K C -1.623 175.016 176.600 0.064 0.000 0.964 525 K CA -0.475 55.862 56.287 0.083 0.000 0.948 525 K CB 0.567 33.116 32.500 0.081 0.000 0.917 525 K HN -0.189 nan 8.250 nan 0.000 0.512 526 P HA -0.288 nan 4.420 nan 0.000 0.227 526 P C 0.646 177.963 177.300 0.029 0.000 1.141 526 P CA 2.149 65.270 63.100 0.035 0.000 0.964 526 P CB -0.046 31.669 31.700 0.024 0.000 0.784 527 M N -2.085 117.528 119.600 0.021 0.000 2.383 527 M HA 0.239 4.719 4.480 0.001 0.000 0.247 527 M C 1.352 177.680 176.300 0.046 0.000 1.117 527 M CA -0.049 55.248 55.300 -0.005 0.000 0.995 527 M CB -0.817 31.736 32.600 -0.078 0.000 1.480 527 M HN -0.145 nan 8.290 nan 0.000 0.485 528 G N 1.975 110.836 108.800 0.101 0.000 2.711 528 G HA2 0.020 3.980 3.960 0.001 0.000 0.367 528 G HA3 0.020 3.980 3.960 0.001 0.000 0.367 528 G C 1.133 176.089 174.900 0.092 0.000 1.276 528 G CA 0.278 45.457 45.100 0.131 0.000 1.193 528 G HN 0.475 nan 8.290 nan 0.000 0.704 529 I N -1.645 118.893 120.570 -0.053 0.000 2.163 529 I HA -0.080 4.091 4.170 0.001 0.000 0.240 529 I C 2.415 178.483 176.117 -0.082 0.000 1.081 529 I CA 1.399 62.604 61.300 -0.157 0.000 1.353 529 I CB -0.450 37.375 38.000 -0.292 0.000 1.054 529 I HN 0.395 nan 8.210 nan 0.000 0.407 530 L N 1.014 122.221 121.223 -0.026 0.000 2.056 530 L HA -0.156 4.185 4.340 0.001 0.000 0.207 530 L C 2.935 179.870 176.870 0.109 0.000 1.078 530 L CA 1.824 56.719 54.840 0.092 0.000 0.749 530 L CB -0.628 41.452 42.059 0.035 0.000 0.901 530 L HN 0.612 nan 8.230 nan 0.000 0.433 531 S N -0.079 115.660 115.700 0.066 0.000 2.399 531 S HA -0.158 4.313 4.470 0.001 0.000 0.231 531 S C 1.888 176.543 174.600 0.091 0.000 1.022 531 S CA 0.807 59.053 58.200 0.077 0.000 0.983 531 S CB -0.434 62.799 63.200 0.055 0.000 0.803 531 S HN 0.257 nan 8.310 nan 0.000 0.480 532 I N 1.751 122.363 120.570 0.071 0.000 2.163 532 I HA -0.039 4.131 4.170 0.001 0.000 0.240 532 I C 2.585 178.805 176.117 0.172 0.000 1.081 532 I CA 0.967 62.311 61.300 0.074 0.000 1.353 532 I CB -1.448 36.560 38.000 0.013 0.000 1.054 532 I HN 0.328 nan 8.210 nan 0.000 0.407 533 L N 0.493 121.823 121.223 0.177 0.000 2.042 533 L HA -0.208 4.133 4.340 0.001 0.000 0.210 533 L C 2.765 179.810 176.870 0.293 0.000 1.076 533 L CA 1.392 56.394 54.840 0.269 0.000 0.749 533 L CB -0.432 41.813 42.059 0.310 0.000 0.893 533 L HN 0.284 nan 8.230 nan 0.000 0.432 534 E N -0.040 120.299 120.200 0.231 0.000 2.085 534 E HA -0.211 4.140 4.350 0.001 0.000 0.194 534 E C 1.928 178.653 176.600 0.209 0.000 0.994 534 E CA 1.041 57.553 56.400 0.187 0.000 0.801 534 E CB -0.139 29.647 29.700 0.143 0.000 0.743 534 E HN 0.484 nan 8.360 nan 0.000 0.453 535 E N 0.525 120.864 120.200 0.231 0.000 2.482 535 E HA -0.080 4.271 4.350 0.001 0.000 0.196 535 E C 1.530 178.424 176.600 0.489 0.000 1.047 535 E CA 0.310 56.888 56.400 0.296 0.000 0.869 535 E CB 0.182 30.023 29.700 0.234 0.000 0.836 535 E HN 0.292 nan 8.360 nan 0.000 0.520 536 E N -0.103 120.396 120.200 0.499 0.000 2.318 536 E HA -0.059 4.292 4.350 0.001 0.000 0.193 536 E C 2.253 179.361 176.600 0.847 0.000 0.998 536 E CA 0.543 57.369 56.400 0.710 0.000 0.859 536 E CB -0.165 30.502 29.700 1.612 0.000 0.812 536 E HN 0.373 nan 8.360 nan 0.000 0.492 537 C N 0.345 119.953 119.300 0.513 0.000 2.466 537 C HA 0.083 4.543 4.460 0.001 0.000 0.278 537 C C 2.398 177.509 174.990 0.202 0.000 1.288 537 C CA -0.059 59.131 59.018 0.287 0.000 1.722 537 C CB -0.869 26.943 27.740 0.121 0.000 2.017 537 C HN 0.178 nan 8.230 nan 0.000 0.488 538 M N 0.389 120.053 119.600 0.106 0.000 2.623 538 M HA 0.109 4.589 4.480 0.001 0.000 0.258 538 M C -0.253 175.831 176.300 -0.360 0.000 1.067 538 M CA 0.884 56.087 55.300 -0.161 0.000 1.068 538 M CB -1.279 31.127 32.600 -0.323 0.000 1.409 538 M HN 0.400 nan 8.290 nan 0.000 0.504 539 F N 0.941 120.943 119.950 0.086 0.000 2.411 539 F HA 0.301 4.829 4.527 0.002 0.000 0.352 539 F C -1.460 174.387 175.800 0.077 0.000 1.123 539 F CA -2.096 55.938 58.000 0.056 0.000 1.044 539 F CB 0.575 39.586 39.000 0.018 0.000 1.135 539 F HN -0.101 nan 8.300 nan 0.000 0.461 540 P HA -0.098 nan 4.420 nan 0.000 0.225 540 P C 1.485 178.869 177.300 0.140 0.000 1.156 540 P CA 0.968 64.145 63.100 0.128 0.000 0.787 540 P CB 0.283 32.027 31.700 0.072 0.000 0.802 541 K N 0.434 120.927 120.400 0.155 0.000 2.057 541 K HA 0.034 4.355 4.320 0.001 0.000 0.206 541 K C 1.013 177.667 176.600 0.089 0.000 1.050 541 K CA 0.500 56.848 56.287 0.102 0.000 0.935 541 K CB -0.583 31.963 32.500 0.077 0.000 0.715 541 K HN -0.014 nan 8.250 nan 0.000 0.439 542 A N 1.493 124.375 122.820 0.103 0.000 2.645 542 A HA -0.096 4.225 4.320 0.001 0.000 0.233 542 A C 0.108 177.852 177.584 0.267 0.000 1.100 542 A CA 0.967 53.028 52.037 0.040 0.000 0.793 542 A CB -0.020 19.014 19.000 0.057 0.000 1.028 542 A HN 0.635 nan 8.150 nan 0.000 0.516 543 D N -1.751 118.847 120.400 0.329 0.000 2.692 543 D HA 0.059 4.699 4.640 0.001 0.000 0.290 543 D C -0.084 176.555 176.300 0.564 0.000 1.281 543 D CA -0.394 53.840 54.000 0.389 0.000 0.804 543 D CB 0.938 41.840 40.800 0.170 0.000 1.331 543 D HN 0.516 nan 8.370 nan 0.000 0.432 544 D N 0.407 120.996 120.400 0.316 0.000 2.354 544 D HA -0.145 4.495 4.640 0.001 0.000 0.216 544 D C 1.201 177.608 176.300 0.178 0.000 0.970 544 D CA 0.964 55.104 54.000 0.233 0.000 0.905 544 D CB 0.391 41.263 40.800 0.119 0.000 0.903 544 D HN 0.249 nan 8.370 nan 0.000 0.508 545 K N -0.310 120.178 120.400 0.146 0.000 2.287 545 K HA -0.024 4.297 4.320 0.001 0.000 0.199 545 K C 2.184 178.799 176.600 0.024 0.000 1.061 545 K CA 0.633 56.962 56.287 0.071 0.000 0.976 545 K CB 0.151 32.678 32.500 0.046 0.000 0.898 545 K HN -0.017 nan 8.250 nan 0.000 0.492 546 S N -0.211 115.462 115.700 -0.045 0.000 2.428 546 S HA -0.070 4.401 4.470 0.001 0.000 0.230 546 S C 1.701 176.140 174.600 -0.270 0.000 1.014 546 S CA 0.544 58.621 58.200 -0.206 0.000 0.957 546 S CB -0.449 62.540 63.200 -0.351 0.000 0.784 546 S HN 0.204 nan 8.310 nan 0.000 0.499 547 F N 1.868 121.798 119.950 -0.035 0.000 2.128 547 F HA 0.121 4.649 4.527 0.002 0.000 0.295 547 F C 3.071 178.829 175.800 -0.070 0.000 1.100 547 F CA 1.146 59.116 58.000 -0.050 0.000 1.260 547 F CB -0.633 38.351 39.000 -0.026 0.000 1.009 547 F HN 0.196 nan 8.300 nan 0.000 0.476 548 Q N 0.674 120.555 119.800 0.135 0.000 2.124 548 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 548 Q C 1.567 177.615 176.000 0.079 0.000 0.977 548 Q CA 1.775 57.622 55.803 0.074 0.000 0.850 548 Q CB -0.338 28.425 28.738 0.043 0.000 0.901 548 Q HN 0.443 nan 8.270 nan 0.000 0.429 549 D N -0.002 120.425 120.400 0.045 0.000 2.103 549 D HA -0.123 4.517 4.640 0.001 0.000 0.199 549 D C 1.690 178.006 176.300 0.025 0.000 0.978 549 D CA 0.720 54.749 54.000 0.048 0.000 0.829 549 D CB -0.058 40.746 40.800 0.006 0.000 0.981 549 D HN 0.204 nan 8.370 nan 0.000 0.464 550 K N 0.800 121.172 120.400 -0.047 0.000 2.360 550 K HA -0.101 4.220 4.320 0.001 0.000 0.201 550 K C 2.140 178.684 176.600 -0.094 0.000 1.046 550 K CA 0.423 56.655 56.287 -0.092 0.000 0.940 550 K CB 0.053 32.462 32.500 -0.152 0.000 0.748 550 K HN 0.108 nan 8.250 nan 0.000 0.465 551 L N -0.624 120.558 121.223 -0.068 0.000 2.071 551 L HA -0.143 4.197 4.340 0.001 0.000 0.201 551 L C 2.263 179.007 176.870 -0.209 0.000 1.076 551 L CA 1.072 55.816 54.840 -0.160 0.000 0.755 551 L CB -0.540 41.413 42.059 -0.178 0.000 0.915 551 L HN 0.218 nan 8.230 nan 0.000 0.445 552 Y N 0.591 120.817 120.300 -0.124 0.000 2.165 552 Y HA -0.329 4.222 4.550 0.002 0.000 0.286 552 Y C 2.836 178.692 175.900 -0.073 0.000 1.155 552 Y CA 1.667 59.757 58.100 -0.017 0.000 1.164 552 Y CB -0.267 38.276 38.460 0.138 0.000 0.978 552 Y HN 0.185 nan 8.280 nan 0.000 0.513 553 Q N 0.509 120.320 119.800 0.018 0.000 2.197 553 Q HA -0.309 4.032 4.340 0.001 0.000 0.211 553 Q C 1.668 177.530 176.000 -0.229 0.000 0.993 553 Q CA 2.262 58.022 55.803 -0.072 0.000 0.883 553 Q CB -0.436 28.268 28.738 -0.056 0.000 0.916 553 Q HN 0.558 nan 8.270 nan 0.000 0.418 554 N N -1.501 117.006 118.700 -0.322 0.000 2.432 554 N HA -0.044 4.697 4.740 0.001 0.000 0.174 554 N C 0.713 175.848 175.510 -0.625 0.000 1.037 554 N CA 1.046 53.815 53.050 -0.469 0.000 0.892 554 N CB 0.144 38.279 38.487 -0.587 0.000 1.049 554 N HN 0.283 nan 8.380 nan 0.000 0.442 555 H N -1.414 117.383 119.070 -0.455 0.000 3.046 555 H HA 0.353 4.910 4.556 0.001 0.000 0.262 555 H C -0.131 175.016 175.328 -0.302 0.000 1.044 555 H CA -0.344 55.453 56.048 -0.418 0.000 1.209 555 H CB 0.399 29.793 29.762 -0.613 0.000 1.507 555 H HN 0.066 nan 8.280 nan 0.000 0.507 556 M N 1.237 120.603 119.600 -0.389 0.000 2.356 556 M HA 0.101 4.582 4.480 0.001 0.000 0.348 556 M C 1.239 177.389 176.300 -0.249 0.000 1.595 556 M CA 0.855 55.944 55.300 -0.351 0.000 1.095 556 M CB -0.316 30.895 32.600 -2.316 0.000 1.963 556 M HN 0.721 nan 8.290 nan 0.000 0.459 557 G N 3.700 112.514 108.800 0.023 0.000 2.212 557 G HA2 -0.342 3.619 3.960 0.001 0.000 0.266 557 G HA3 -0.342 3.619 3.960 0.001 0.000 0.266 557 G C 0.984 175.885 174.900 0.001 0.000 0.978 557 G CA 0.865 45.979 45.100 0.022 0.000 0.632 557 G HN 0.664 nan 8.290 nan 0.000 0.537 558 K N -0.006 120.382 120.400 -0.019 0.000 2.358 558 K HA 0.199 4.520 4.320 0.001 0.000 0.200 558 K C 0.021 176.644 176.600 0.039 0.000 1.030 558 K CA 0.138 56.413 56.287 -0.020 0.000 1.097 558 K CB 0.187 32.634 32.500 -0.089 0.000 0.862 558 K HN 0.295 nan 8.250 nan 0.000 0.534 559 N N 0.729 119.486 118.700 0.095 0.000 2.578 559 N HA 0.028 4.769 4.740 0.001 0.000 0.282 559 N C -0.803 174.804 175.510 0.162 0.000 1.119 559 N CA -0.332 52.796 53.050 0.130 0.000 0.948 559 N CB 1.625 40.220 38.487 0.180 0.000 1.546 559 N HN 0.011 nan 8.380 nan 0.000 0.525 560 R N 1.893 122.460 120.500 0.112 0.000 2.328 560 R HA 0.102 4.443 4.340 0.001 0.000 0.207 560 R C 0.967 177.347 176.300 0.133 0.000 1.056 560 R CA 0.888 57.049 56.100 0.101 0.000 1.016 560 R CB 0.170 30.487 30.300 0.027 0.000 0.872 560 R HN 0.443 nan 8.270 nan 0.000 0.471 561 M N -0.466 119.250 119.600 0.193 0.000 2.419 561 M HA -0.015 4.465 4.480 0.001 0.000 0.264 561 M C 0.269 176.845 176.300 0.461 0.000 1.082 561 M CA 0.537 56.030 55.300 0.322 0.000 1.119 561 M CB -0.301 32.436 32.600 0.229 0.000 1.398 561 M HN -0.018 nan 8.290 nan 0.000 0.453 562 F N 2.999 123.061 119.950 0.187 0.000 2.375 562 F HA 0.301 4.829 4.527 0.001 0.000 0.362 562 F C 0.198 176.126 175.800 0.215 0.000 1.129 562 F CA -0.552 57.545 58.000 0.161 0.000 1.154 562 F CB 0.478 39.509 39.000 0.052 0.000 1.205 562 F HN -0.015 nan 8.300 nan 0.000 0.513 563 T N 3.302 117.657 114.554 -0.331 0.000 2.881 563 T HA 0.314 4.665 4.350 0.001 0.000 0.290 563 T C -0.541 173.991 174.700 -0.280 0.000 1.000 563 T CA -1.162 60.824 62.100 -0.190 0.000 0.978 563 T CB 1.409 70.324 68.868 0.078 0.000 0.997 563 T HN 0.737 nan 8.240 nan 0.000 0.443 564 K N 3.021 123.335 120.400 -0.142 0.000 2.591 564 K HA 0.065 4.386 4.320 0.001 0.000 0.280 564 K C -2.085 174.468 176.600 -0.077 0.000 0.964 564 K CA -0.827 55.419 56.287 -0.069 0.000 1.014 564 K CB -0.056 32.450 32.500 0.009 0.000 0.877 564 K HN 0.376 nan 8.250 nan 0.000 0.502 565 P HA -0.039 nan 4.420 nan 0.000 0.261 565 P C -0.102 177.154 177.300 -0.073 0.000 1.183 565 P CA 0.058 63.101 63.100 -0.094 0.000 0.761 565 P CB 0.932 32.583 31.700 -0.081 0.000 0.785 566 G N 3.352 112.102 108.800 -0.084 0.000 2.935 566 G HA2 0.172 4.132 3.960 0.001 0.000 0.157 566 G HA3 0.172 4.132 3.960 0.001 0.000 0.157 566 G C -0.549 174.316 174.900 -0.057 0.000 1.712 566 G CA -0.090 44.976 45.100 -0.058 0.000 1.071 566 G HN 0.527 nan 8.290 nan 0.000 0.539 567 K N 0.512 120.880 120.400 -0.053 0.000 2.378 567 K HA 0.456 4.777 4.320 0.001 0.000 0.252 567 K C -2.498 174.066 176.600 -0.060 0.000 0.931 567 K CA -1.671 54.586 56.287 -0.050 0.000 0.794 567 K CB 1.755 34.234 32.500 -0.036 0.000 1.181 567 K HN 0.153 nan 8.250 nan 0.000 0.425 568 P HA -0.108 nan 4.420 nan 0.000 0.260 568 P C -0.206 177.053 177.300 -0.068 0.000 1.147 568 P CA 0.432 63.489 63.100 -0.071 0.000 0.758 568 P CB 0.263 31.927 31.700 -0.060 0.000 0.744 569 T N 0.423 114.928 114.554 -0.082 0.000 3.231 569 T HA 0.413 4.764 4.350 0.001 0.000 0.292 569 T C 0.295 174.941 174.700 -0.090 0.000 1.001 569 T CA -0.642 61.413 62.100 -0.075 0.000 0.920 569 T CB 0.097 68.922 68.868 -0.072 0.000 1.140 569 T HN 0.453 nan 8.240 nan 0.000 0.525 570 R N 1.049 121.488 120.500 -0.101 0.000 2.979 570 R HA 0.386 4.727 4.340 0.001 0.000 0.245 570 R C -3.246 172.983 176.300 -0.118 0.000 1.104 570 R CA -1.205 54.822 56.100 -0.120 0.000 1.056 570 R CB 1.061 31.262 30.300 -0.165 0.000 1.265 570 R HN 0.078 nan 8.270 nan 0.000 0.470 571 P HA -0.029 nan 4.420 nan 0.000 0.271 571 P C -0.164 177.075 177.300 -0.101 0.000 1.233 571 P CA 0.023 63.072 63.100 -0.085 0.000 0.789 571 P CB 0.423 32.082 31.700 -0.070 0.000 0.951 572 N N -1.402 117.257 118.700 -0.068 0.000 2.753 572 N HA -0.204 4.537 4.740 0.001 0.000 0.251 572 N C 0.168 175.643 175.510 -0.058 0.000 1.097 572 N CA 0.077 53.096 53.050 -0.052 0.000 0.786 572 N CB -0.450 38.004 38.487 -0.055 0.000 1.137 572 N HN 0.567 nan 8.380 nan 0.000 0.566 573 Q N 1.478 121.232 119.800 -0.076 0.000 2.388 573 Q HA 0.126 4.467 4.340 0.001 0.000 0.246 573 Q C 0.574 176.578 176.000 0.006 0.000 1.246 573 Q CA 0.731 56.491 55.803 -0.072 0.000 0.895 573 Q CB -0.307 28.373 28.738 -0.096 0.000 1.510 573 Q HN 0.324 nan 8.270 nan 0.000 0.503 574 G N 5.264 114.129 108.800 0.108 0.000 2.794 574 G HA2 0.100 4.061 3.960 0.001 0.000 0.249 574 G HA3 0.100 4.061 3.960 0.001 0.000 0.249 574 G C -2.128 172.892 174.900 0.200 0.000 1.236 574 G CA -0.800 44.422 45.100 0.203 0.000 0.880 574 G HN 0.638 nan 8.290 nan 0.000 0.586 575 P HA 0.274 nan 4.420 nan 0.000 0.266 575 P C -0.396 176.857 177.300 -0.077 0.000 1.180 575 P CA 0.449 63.582 63.100 0.054 0.000 0.765 575 P CB 0.609 32.368 31.700 0.098 0.000 0.806 576 A N 1.815 124.479 122.820 -0.260 0.000 2.455 576 A HA 0.507 4.827 4.320 0.001 0.000 0.300 576 A C -0.327 177.055 177.584 -0.338 0.000 1.040 576 A CA -0.391 51.445 52.037 -0.334 0.000 0.697 576 A CB 0.665 19.504 19.000 -0.267 0.000 1.265 576 A HN 0.641 nan 8.150 nan 0.000 0.407 577 H N 0.790 119.837 119.070 -0.038 0.000 2.729 577 H HA 0.430 4.987 4.556 0.001 0.000 0.263 577 H C -0.202 175.270 175.328 0.239 0.000 0.961 577 H CA 1.203 57.335 56.048 0.142 0.000 1.217 577 H CB 0.612 30.554 29.762 0.301 0.000 1.447 577 H HN 0.730 nan 8.280 nan 0.000 0.496 578 F N -1.322 118.699 119.950 0.117 0.000 2.807 578 F HA 0.466 4.994 4.527 0.001 0.000 0.316 578 F C -1.798 173.968 175.800 -0.056 0.000 1.162 578 F CA -1.401 56.567 58.000 -0.053 0.000 0.910 578 F CB 1.529 40.543 39.000 0.024 0.000 1.314 578 F HN -0.197 nan 8.300 nan 0.000 0.454 579 E N 2.391 122.557 120.200 -0.057 0.000 2.288 579 E HA 0.598 4.949 4.350 0.001 0.000 0.268 579 E C -2.273 174.367 176.600 0.067 0.000 0.885 579 E CA -0.617 55.707 56.400 -0.127 0.000 0.767 579 E CB 2.416 31.961 29.700 -0.258 0.000 1.220 579 E HN 0.912 nan 8.360 nan 0.000 0.427 580 L N 2.855 124.153 121.223 0.124 0.000 2.362 580 L HA 0.377 4.717 4.340 0.001 0.000 0.271 580 L C -0.323 176.554 176.870 0.012 0.000 1.002 580 L CA -0.933 54.036 54.840 0.215 0.000 0.818 580 L CB 1.908 44.265 42.059 0.496 0.000 1.298 580 L HN 0.576 nan 8.230 nan 0.000 0.420 581 H N 2.196 121.371 119.070 0.176 0.000 2.821 581 H HA 0.143 4.700 4.556 0.001 0.000 0.262 581 H C -0.532 174.864 175.328 0.113 0.000 1.402 581 H CA -0.304 55.810 56.048 0.110 0.000 1.293 581 H CB 0.137 29.940 29.762 0.069 0.000 1.533 581 H HN 0.545 nan 8.280 nan 0.000 0.528 582 H N 1.994 121.091 119.070 0.044 0.000 2.562 582 H HA -0.024 4.533 4.556 0.001 0.000 0.352 582 H C 1.229 176.373 175.328 -0.307 0.000 1.125 582 H CA -0.613 55.376 56.048 -0.099 0.000 1.379 582 H CB 0.814 30.464 29.762 -0.188 0.000 1.464 582 H HN 0.549 nan 8.280 nan 0.000 0.563 583 Y N 2.409 122.656 120.300 -0.088 0.000 2.062 583 Y HA -0.335 4.215 4.550 0.001 0.000 0.273 583 Y C 1.779 177.732 175.900 0.088 0.000 1.206 583 Y CA 1.336 59.437 58.100 0.001 0.000 1.125 583 Y CB -1.117 37.277 38.460 -0.110 0.000 0.951 583 Y HN 0.491 nan 8.280 nan 0.000 0.501 584 A N 0.700 123.029 122.820 -0.818 0.000 2.462 584 A HA 0.642 4.963 4.320 0.001 0.000 0.261 584 A C 0.856 177.922 177.584 -0.864 0.000 1.323 584 A CA 0.419 52.062 52.037 -0.656 0.000 0.913 584 A CB -1.000 17.642 19.000 -0.597 0.000 1.028 584 A HN 1.114 nan 8.150 nan 0.000 0.511 585 G N -0.553 107.879 108.800 -0.613 0.000 2.350 585 G HA2 0.171 4.132 3.960 0.001 0.000 0.305 585 G HA3 0.171 4.132 3.960 0.001 0.000 0.305 585 G C -1.462 173.372 174.900 -0.110 0.000 1.479 585 G CA -0.918 43.985 45.100 -0.328 0.000 0.949 585 G HN 0.210 nan 8.290 nan 0.000 0.651 586 N N -0.345 118.340 118.700 -0.026 0.000 2.422 586 N HA 0.519 5.260 4.740 0.001 0.000 0.266 586 N C -0.099 175.359 175.510 -0.087 0.000 1.007 586 N CA -0.462 52.553 53.050 -0.058 0.000 0.941 586 N CB 1.551 39.991 38.487 -0.079 0.000 1.115 586 N HN 0.779 nan 8.380 nan 0.000 0.492 587 V N 2.173 122.022 119.914 -0.108 0.000 2.409 587 V HA 0.601 4.721 4.120 0.001 0.000 0.291 587 V C -2.683 173.042 176.094 -0.615 0.000 1.020 587 V CA -2.461 59.623 62.300 -0.359 0.000 0.848 587 V CB 1.403 32.953 31.823 -0.454 0.000 0.990 587 V HN 0.508 nan 8.190 nan 0.000 0.430 588 P HA 0.407 nan 4.420 nan 0.000 0.284 588 P C -1.329 175.467 177.300 -0.840 0.000 1.343 588 P CA 0.152 62.896 63.100 -0.594 0.000 0.826 588 P CB -0.000 31.462 31.700 -0.397 0.000 0.956 589 Y N 0.549 120.332 120.300 -0.862 0.000 2.320 589 Y HA 0.356 4.906 4.550 0.001 0.000 0.334 589 Y C 1.298 176.863 175.900 -0.560 0.000 1.055 589 Y CA -0.212 57.392 58.100 -0.826 0.000 1.143 589 Y CB 1.470 39.267 38.460 -1.105 0.000 1.193 589 Y HN 0.193 nan 8.280 nan 0.000 0.477 590 S N 4.927 120.524 115.700 -0.172 0.000 2.422 590 S HA 0.287 4.758 4.470 0.001 0.000 0.298 590 S C 0.679 175.635 174.600 0.594 0.000 1.118 590 S CA -0.844 57.486 58.200 0.217 0.000 1.083 590 S CB 0.027 63.258 63.200 0.052 0.000 0.971 590 S HN 0.675 nan 8.310 nan 0.000 0.478 591 I N 3.814 124.867 120.570 0.805 0.000 3.806 591 I HA 0.198 4.369 4.170 0.001 0.000 0.321 591 I C 0.575 176.857 176.117 0.275 0.000 1.315 591 I CA -0.233 61.290 61.300 0.372 0.000 1.148 591 I CB -1.440 36.626 38.000 0.109 0.000 1.028 591 I HN 0.596 nan 8.210 nan 0.000 0.415 592 T N -0.886 113.909 114.554 0.401 0.000 2.799 592 T HA 0.501 4.851 4.350 0.001 0.000 0.296 592 T C 1.221 176.068 174.700 0.244 0.000 0.947 592 T CA 0.379 62.651 62.100 0.286 0.000 1.141 592 T CB 0.934 70.005 68.868 0.338 0.000 0.891 592 T HN 0.792 nan 8.240 nan 0.000 0.533 593 G N 2.788 111.678 108.800 0.149 0.000 2.176 593 G HA2 -0.246 3.715 3.960 0.001 0.000 0.253 593 G HA3 -0.246 3.715 3.960 0.001 0.000 0.253 593 G C 0.651 175.578 174.900 0.045 0.000 0.979 593 G CA 0.221 45.366 45.100 0.075 0.000 0.641 593 G HN 0.800 nan 8.290 nan 0.000 0.530 594 W N 1.905 123.152 121.300 -0.089 0.000 2.468 594 W HA -0.039 4.621 4.660 0.001 0.000 0.262 594 W C 1.983 178.291 176.519 -0.352 0.000 1.241 594 W CA 1.728 58.971 57.345 -0.169 0.000 1.232 594 W CB -0.131 29.285 29.460 -0.074 0.000 1.124 594 W HN 0.489 nan 8.180 nan 0.000 0.597 595 L N -0.404 120.710 121.223 -0.180 0.000 2.131 595 L HA 0.003 4.344 4.340 0.001 0.000 0.206 595 L C 1.776 178.509 176.870 -0.230 0.000 1.087 595 L CA 1.794 56.438 54.840 -0.326 0.000 0.767 595 L CB -1.654 40.172 42.059 -0.388 0.000 0.917 595 L HN -0.172 nan 8.230 nan 0.000 0.441 596 E N 1.025 121.113 120.200 -0.187 0.000 2.170 596 E HA -0.131 4.219 4.350 0.001 0.000 0.191 596 E C 2.073 178.528 176.600 -0.242 0.000 0.981 596 E CA 0.608 56.913 56.400 -0.160 0.000 0.830 596 E CB 0.049 29.687 29.700 -0.103 0.000 0.775 596 E HN 0.585 nan 8.360 nan 0.000 0.470 597 K N 1.026 121.213 120.400 -0.355 0.000 2.209 597 K HA -0.133 4.188 4.320 0.001 0.000 0.204 597 K C 1.651 177.829 176.600 -0.703 0.000 1.048 597 K CA 1.293 57.273 56.287 -0.512 0.000 0.940 597 K CB 0.005 32.101 32.500 -0.673 0.000 0.729 597 K HN -0.053 nan 8.250 nan 0.000 0.451 598 N N -0.132 118.131 118.700 -0.730 0.000 2.325 598 N HA -0.018 4.723 4.740 0.001 0.000 0.182 598 N C 0.954 176.299 175.510 -0.276 0.000 1.088 598 N CA 0.259 52.932 53.050 -0.627 0.000 0.879 598 N CB 0.402 38.535 38.487 -0.590 0.000 0.983 598 N HN -0.016 nan 8.380 nan 0.000 0.471 599 K N 0.423 120.694 120.400 -0.215 0.000 2.414 599 K HA 0.047 4.368 4.320 0.001 0.000 0.204 599 K C -0.668 175.877 176.600 -0.092 0.000 1.026 599 K CA -0.248 55.971 56.287 -0.114 0.000 1.108 599 K CB 0.156 32.611 32.500 -0.076 0.000 0.855 599 K HN 0.132 nan 8.250 nan 0.000 0.517 600 D N 1.740 122.073 120.400 -0.111 0.000 3.245 600 D HA -0.198 4.443 4.640 0.001 0.000 0.107 600 D C -2.812 173.455 176.300 -0.054 0.000 1.142 600 D CA 1.030 54.985 54.000 -0.075 0.000 0.596 600 D CB 0.389 41.158 40.800 -0.052 0.000 0.739 600 D HN 0.286 nan 8.370 nan 0.000 0.379 601 P HA 0.241 nan 4.420 nan 0.000 0.307 601 P C -1.200 176.088 177.300 -0.020 0.000 1.934 601 P CA -0.488 62.595 63.100 -0.029 0.000 1.547 601 P CB 0.193 31.872 31.700 -0.035 0.000 1.624 602 I N 0.987 121.549 120.570 -0.014 0.000 2.465 602 I HA 0.436 4.607 4.170 0.001 0.000 0.291 602 I C 0.107 176.220 176.117 -0.007 0.000 1.014 602 I CA -1.067 60.229 61.300 -0.007 0.000 1.093 602 I CB 2.177 40.177 38.000 0.000 0.000 1.267 602 I HN 0.268 nan 8.210 nan 0.000 0.431 603 N N 5.405 124.101 118.700 -0.006 0.000 2.276 603 N HA -0.098 4.642 4.740 0.001 0.000 0.279 603 N C 0.283 175.790 175.510 -0.004 0.000 1.379 603 N CA -0.229 52.817 53.050 -0.006 0.000 0.886 603 N CB 0.482 38.967 38.487 -0.005 0.000 1.199 603 N HN 0.510 nan 8.380 nan 0.000 0.493 604 E N 2.141 122.338 120.200 -0.006 0.000 2.393 604 E HA -0.215 4.135 4.350 0.001 0.000 0.201 604 E C 0.649 177.247 176.600 -0.004 0.000 1.025 604 E CA 0.643 57.040 56.400 -0.005 0.000 0.856 604 E CB -0.090 29.607 29.700 -0.006 0.000 0.771 604 E HN 0.707 nan 8.360 nan 0.000 0.526 605 N N 0.465 119.163 118.700 -0.003 0.000 2.132 605 N HA -0.111 4.630 4.740 0.001 0.000 0.187 605 N C 2.015 177.524 175.510 -0.002 0.000 1.038 605 N CA 0.882 53.930 53.050 -0.003 0.000 0.846 605 N CB -0.446 38.039 38.487 -0.002 0.000 1.012 605 N HN 0.061 nan 8.380 nan 0.000 0.429 606 V N 2.678 122.591 119.914 -0.001 0.000 2.594 606 V HA -0.143 3.978 4.120 0.001 0.000 0.253 606 V C 2.354 178.447 176.094 -0.002 0.000 1.069 606 V CA 1.409 63.709 62.300 0.001 0.000 1.082 606 V CB -0.440 31.386 31.823 0.004 0.000 0.680 606 V HN 0.244 nan 8.190 nan 0.000 0.469 607 V N -1.021 118.892 119.914 -0.002 0.000 2.913 607 V HA 0.024 4.145 4.120 0.001 0.000 0.260 607 V C 2.413 178.504 176.094 -0.005 0.000 1.098 607 V CA 1.805 64.103 62.300 -0.003 0.000 1.121 607 V CB -1.362 30.460 31.823 -0.002 0.000 0.714 607 V HN 0.503 nan 8.190 nan 0.000 0.487 608 A N 0.335 123.152 122.820 -0.005 0.000 1.903 608 A HA 0.194 4.515 4.320 0.001 0.000 0.213 608 A C 2.184 179.763 177.584 -0.009 0.000 1.185 608 A CA 1.285 53.318 52.037 -0.006 0.000 0.628 608 A CB -0.468 18.529 19.000 -0.004 0.000 0.830 608 A HN 0.469 nan 8.150 nan 0.000 0.446 609 L N -0.401 120.818 121.223 -0.008 0.000 1.971 609 L HA -0.213 4.128 4.340 0.001 0.000 0.215 609 L C 2.576 179.436 176.870 -0.017 0.000 1.072 609 L CA 1.572 56.406 54.840 -0.010 0.000 0.758 609 L CB -0.466 41.589 42.059 -0.007 0.000 0.889 609 L HN 0.388 nan 8.230 nan 0.000 0.433 610 L N -0.747 120.465 121.223 -0.018 0.000 2.275 610 L HA -0.124 4.217 4.340 0.001 0.000 0.215 610 L C 2.506 179.357 176.870 -0.031 0.000 1.119 610 L CA 0.954 55.777 54.840 -0.028 0.000 0.790 610 L CB -0.847 41.197 42.059 -0.025 0.000 0.919 610 L HN 0.364 nan 8.230 nan 0.000 0.443 611 G N -0.330 108.457 108.800 -0.021 0.000 2.450 611 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 611 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 611 G C 1.113 176.001 174.900 -0.021 0.000 1.130 611 G CA 0.745 45.834 45.100 -0.017 0.000 0.760 611 G HN 0.468 nan 8.290 nan 0.000 0.557 612 A N 0.416 123.222 122.820 -0.023 0.000 2.701 612 A HA 0.616 4.937 4.320 0.001 0.000 0.297 612 A C 1.118 178.681 177.584 -0.035 0.000 1.197 612 A CA 0.555 52.577 52.037 -0.025 0.000 0.963 612 A CB -0.195 18.794 19.000 -0.018 0.000 1.175 612 A HN 0.533 nan 8.150 nan 0.000 0.531 613 S N -0.508 115.165 115.700 -0.045 0.000 2.587 613 S HA 0.151 4.622 4.470 0.001 0.000 0.260 613 S C 1.034 175.594 174.600 -0.067 0.000 1.353 613 S CA 0.484 58.649 58.200 -0.058 0.000 0.995 613 S CB 1.055 64.214 63.200 -0.068 0.000 0.912 613 S HN 0.462 nan 8.310 nan 0.000 0.568 614 K N 0.219 120.569 120.400 -0.082 0.000 2.076 614 K HA 0.039 4.360 4.320 0.001 0.000 0.204 614 K C 0.822 177.363 176.600 -0.098 0.000 1.051 614 K CA 0.516 56.749 56.287 -0.089 0.000 0.949 614 K CB -0.146 32.286 32.500 -0.112 0.000 0.726 614 K HN 0.734 nan 8.250 nan 0.000 0.443 615 E N 1.203 121.332 120.200 -0.118 0.000 2.452 615 E HA -0.045 4.306 4.350 0.001 0.000 0.261 615 E C -1.959 174.572 176.600 -0.115 0.000 0.987 615 E CA -1.347 54.981 56.400 -0.120 0.000 0.926 615 E CB 1.190 30.812 29.700 -0.130 0.000 0.934 615 E HN 0.113 nan 8.360 nan 0.000 0.452 616 P HA -0.055 nan 4.420 nan 0.000 0.220 616 P C 1.606 178.789 177.300 -0.195 0.000 1.152 616 P CA 0.681 63.718 63.100 -0.105 0.000 0.812 616 P CB 0.268 31.931 31.700 -0.062 0.000 0.792 617 L N -0.002 121.066 121.223 -0.257 0.000 1.973 617 L HA -0.126 4.215 4.340 0.001 0.000 0.208 617 L C 2.613 179.219 176.870 -0.439 0.000 1.073 617 L CA 1.728 56.281 54.840 -0.479 0.000 0.746 617 L CB -1.207 40.600 42.059 -0.421 0.000 0.891 617 L HN -0.119 nan 8.230 nan 0.000 0.433 618 V N -1.972 117.779 119.914 -0.272 0.000 2.370 618 V HA -0.333 3.788 4.120 0.001 0.000 0.252 618 V C 2.518 178.512 176.094 -0.167 0.000 1.068 618 V CA 1.837 64.020 62.300 -0.194 0.000 1.061 618 V CB -1.587 30.158 31.823 -0.129 0.000 0.656 618 V HN 0.402 nan 8.190 nan 0.000 0.455 619 A N 0.139 122.865 122.820 -0.156 0.000 1.902 619 A HA -0.086 4.234 4.320 0.001 0.000 0.217 619 A C 1.600 179.127 177.584 -0.096 0.000 1.181 619 A CA 1.379 53.355 52.037 -0.103 0.000 0.623 619 A CB -0.483 18.469 19.000 -0.080 0.000 0.818 619 A HN 0.702 nan 8.150 nan 0.000 0.443 644 T N -0.121 114.428 114.554 -0.009 0.000 2.816 644 T HA 0.460 4.810 4.350 0.001 0.000 0.282 644 T C 1.706 176.395 174.700 -0.018 0.000 0.993 644 T CA 0.039 62.134 62.100 -0.009 0.000 0.994 644 T CB 0.413 69.294 68.868 0.022 0.000 1.025 644 T HN 0.731 nan 8.240 nan 0.000 0.529 645 I N -0.174 120.394 120.570 -0.004 0.000 2.179 645 I HA -0.034 4.137 4.170 0.001 0.000 0.242 645 I C 2.373 178.633 176.117 0.239 0.000 1.088 645 I CA 1.414 62.736 61.300 0.038 0.000 1.357 645 I CB -1.232 36.873 38.000 0.175 0.000 1.051 645 I HN 0.600 nan 8.210 nan 0.000 0.409 646 S N 1.303 117.173 115.700 0.284 0.000 2.359 646 S HA -0.198 4.273 4.470 0.001 0.000 0.223 646 S C 2.242 176.970 174.600 0.213 0.000 1.039 646 S CA 1.804 60.199 58.200 0.326 0.000 1.042 646 S CB -0.935 62.428 63.200 0.270 0.000 0.915 646 S HN 0.754 nan 8.310 nan 0.000 0.439 647 A N 0.466 123.360 122.820 0.123 0.000 1.969 647 A HA -0.011 4.310 4.320 0.001 0.000 0.218 647 A C 2.318 179.940 177.584 0.065 0.000 1.169 647 A CA 1.452 53.541 52.037 0.085 0.000 0.635 647 A CB -0.838 18.195 19.000 0.054 0.000 0.810 647 A HN 0.378 nan 8.150 nan 0.000 0.445 648 V N -0.298 119.617 119.914 0.002 0.000 2.307 648 V HA -0.258 3.863 4.120 0.001 0.000 0.245 648 V C 2.238 178.332 176.094 0.001 0.000 1.045 648 V CA 2.762 65.022 62.300 -0.068 0.000 1.024 648 V CB -0.826 30.862 31.823 -0.225 0.000 0.651 648 V HN 0.777 nan 8.190 nan 0.000 0.449 649 H N -0.177 119.002 119.070 0.182 0.000 2.357 649 H HA -0.066 4.491 4.556 0.001 0.000 0.301 649 H C 2.448 177.969 175.328 0.323 0.000 1.082 649 H CA 1.860 58.117 56.048 0.349 0.000 1.342 649 H CB -0.172 29.809 29.762 0.366 0.000 1.389 649 H HN 0.320 nan 8.280 nan 0.000 0.511 650 R N 0.995 121.688 120.500 0.323 0.000 2.117 650 R HA -0.169 4.172 4.340 0.001 0.000 0.243 650 R C 1.579 177.981 176.300 0.171 0.000 1.143 650 R CA 1.573 57.803 56.100 0.217 0.000 0.968 650 R CB 0.104 30.485 30.300 0.134 0.000 0.863 650 R HN 0.383 nan 8.270 nan 0.000 0.444 651 E N 0.234 120.521 120.200 0.145 0.000 2.072 651 E HA -0.137 4.214 4.350 0.001 0.000 0.191 651 E C 2.036 178.700 176.600 0.107 0.000 0.985 651 E CA 1.548 58.009 56.400 0.102 0.000 0.801 651 E CB -0.254 29.489 29.700 0.073 0.000 0.750 651 E HN 0.465 nan 8.360 nan 0.000 0.452 652 S N 1.315 117.116 115.700 0.167 0.000 2.370 652 S HA -0.133 4.338 4.470 0.001 0.000 0.226 652 S C 2.245 176.880 174.600 0.059 0.000 1.033 652 S CA 0.855 59.157 58.200 0.170 0.000 1.011 652 S CB -0.671 62.756 63.200 0.377 0.000 0.852 652 S HN 0.160 nan 8.310 nan 0.000 0.457 653 L N 3.094 124.330 121.223 0.021 0.000 2.046 653 L HA -0.164 4.177 4.340 0.001 0.000 0.208 653 L C 2.940 179.785 176.870 -0.042 0.000 1.077 653 L CA 1.900 56.674 54.840 -0.110 0.000 0.747 653 L CB -0.895 41.120 42.059 -0.074 0.000 0.896 653 L HN 0.678 nan 8.230 nan 0.000 0.432 654 N N -0.191 118.524 118.700 0.025 0.000 2.188 654 N HA -0.246 4.495 4.740 0.001 0.000 0.184 654 N C 1.708 177.214 175.510 -0.008 0.000 1.018 654 N CA 1.071 54.134 53.050 0.022 0.000 0.858 654 N CB -0.131 38.385 38.487 0.050 0.000 0.989 654 N HN 0.184 nan 8.380 nan 0.000 0.426 655 K N 0.931 121.326 120.400 -0.008 0.000 2.097 655 K HA 0.159 4.480 4.320 0.001 0.000 0.205 655 K C 2.190 178.741 176.600 -0.083 0.000 1.050 655 K CA 0.436 56.708 56.287 -0.025 0.000 0.938 655 K CB -0.258 32.237 32.500 -0.008 0.000 0.718 655 K HN 0.155 nan 8.250 nan 0.000 0.442 656 L N 0.076 121.225 121.223 -0.125 0.000 2.017 656 L HA -0.187 4.154 4.340 0.001 0.000 0.208 656 L C 2.455 179.182 176.870 -0.237 0.000 1.073 656 L CA 1.449 56.140 54.840 -0.248 0.000 0.745 656 L CB -0.292 41.610 42.059 -0.262 0.000 0.894 656 L HN 0.328 nan 8.230 nan 0.000 0.432 657 M N -0.063 119.444 119.600 -0.155 0.000 2.108 657 M HA -0.302 4.179 4.480 0.001 0.000 0.261 657 M C 2.306 178.589 176.300 -0.027 0.000 1.066 657 M CA 1.882 57.115 55.300 -0.112 0.000 1.107 657 M CB -0.093 32.482 32.600 -0.041 0.000 1.356 657 M HN 0.049 nan 8.290 nan 0.000 0.406 658 K N 0.001 120.391 120.400 -0.017 0.000 2.097 658 K HA -0.168 4.153 4.320 0.001 0.000 0.206 658 K C 1.471 178.112 176.600 0.068 0.000 1.049 658 K CA 1.741 58.047 56.287 0.032 0.000 0.933 658 K CB -0.073 32.433 32.500 0.010 0.000 0.717 658 K HN 0.462 nan 8.250 nan 0.000 0.442 659 N N 0.719 119.413 118.700 -0.010 0.000 2.270 659 N HA -0.119 4.622 4.740 0.001 0.000 0.181 659 N C 1.786 177.327 175.510 0.051 0.000 1.016 659 N CA 0.813 53.863 53.050 -0.000 0.000 0.870 659 N CB 0.001 38.400 38.487 -0.146 0.000 0.979 659 N HN 0.237 nan 8.380 nan 0.000 0.431 660 L N -0.281 120.929 121.223 -0.022 0.000 2.044 660 L HA -0.145 4.196 4.340 0.001 0.000 0.205 660 L C 2.290 179.253 176.870 0.156 0.000 1.075 660 L CA 0.927 55.753 54.840 -0.023 0.000 0.747 660 L CB -0.502 41.355 42.059 -0.335 0.000 0.903 660 L HN 0.097 nan 8.230 nan 0.000 0.435 661 Y N 1.252 121.636 120.300 0.138 0.000 2.241 661 Y HA -0.290 4.261 4.550 0.001 0.000 0.286 661 Y C 2.462 178.456 175.900 0.158 0.000 1.166 661 Y CA 1.470 59.718 58.100 0.247 0.000 1.203 661 Y CB -0.193 38.354 38.460 0.145 0.000 0.977 661 Y HN 0.240 nan 8.280 nan 0.000 0.529 662 S N -0.006 115.800 115.700 0.177 0.000 2.967 662 S HA 0.172 4.642 4.470 0.001 0.000 0.254 662 S C 0.213 174.843 174.600 0.050 0.000 1.089 662 S CA 0.046 58.303 58.200 0.094 0.000 1.183 662 S CB -1.294 62.014 63.200 0.180 0.000 0.848 662 S HN 0.447 nan 8.310 nan 0.000 0.477 663 T N -2.157 112.397 114.554 -0.000 0.000 2.864 663 T HA 0.477 4.827 4.350 0.001 0.000 0.299 663 T C -1.211 173.494 174.700 0.010 0.000 1.166 663 T CA -0.869 61.276 62.100 0.075 0.000 1.007 663 T CB 0.903 69.891 68.868 0.200 0.000 1.219 663 T HN 0.304 nan 8.240 nan 0.000 0.506 664 H N 2.129 121.283 119.070 0.140 0.000 2.746 664 H HA 0.441 4.997 4.556 0.001 0.000 0.269 664 H C -2.421 173.089 175.328 0.304 0.000 1.248 664 H CA -1.381 54.767 56.048 0.166 0.000 1.258 664 H CB 0.624 30.407 29.762 0.035 0.000 1.441 664 H HN 0.338 nan 8.280 nan 0.000 0.508 665 P HA 0.113 nan 4.420 nan 0.000 0.285 665 P C -0.862 176.786 177.300 0.580 0.000 1.259 665 P CA -0.396 63.002 63.100 0.496 0.000 0.794 665 P CB 0.778 32.668 31.700 0.317 0.000 0.940 666 H N 0.689 119.955 119.070 0.327 0.000 2.589 666 H HA 0.593 5.149 4.556 0.001 0.000 0.335 666 H C -1.199 174.480 175.328 0.585 0.000 1.019 666 H CA -0.970 55.266 56.048 0.313 0.000 1.213 666 H CB 1.106 30.967 29.762 0.165 0.000 1.472 666 H HN 0.258 nan 8.280 nan 0.000 0.508 667 F N 4.167 124.753 119.950 1.061 0.000 2.443 667 F HA 0.457 4.985 4.527 0.001 0.000 0.335 667 F C -0.635 175.400 175.800 0.391 0.000 1.104 667 F CA -1.005 57.371 58.000 0.627 0.000 1.013 667 F CB 1.430 40.450 39.000 0.033 0.000 1.136 667 F HN 0.508 nan 8.300 nan 0.000 0.470 668 V N 4.365 123.671 119.914 -1.013 0.000 2.495 668 V HA 0.639 4.760 4.120 0.001 0.000 0.298 668 V C -0.870 174.503 176.094 -1.202 0.000 1.031 668 V CA -0.905 60.984 62.300 -0.685 0.000 0.871 668 V CB 1.557 33.153 31.823 -0.380 0.000 0.988 668 V HN 0.925 nan 8.190 nan 0.000 0.432 669 R N 4.383 124.621 120.500 -0.437 0.000 2.320 669 R HA 0.611 4.951 4.340 0.001 0.000 0.319 669 R C -0.160 176.092 176.300 -0.079 0.000 0.969 669 R CA -0.359 55.679 56.100 -0.104 0.000 0.857 669 R CB 1.082 31.533 30.300 0.253 0.000 1.160 669 R HN 1.162 nan 8.270 nan 0.000 0.491 670 C N 4.566 123.820 119.300 -0.076 0.000 2.534 670 C HA 0.778 5.239 4.460 0.001 0.000 0.385 670 C C 0.200 175.187 174.990 -0.006 0.000 1.264 670 C CA -0.915 58.079 59.018 -0.040 0.000 2.342 670 C CB -0.389 27.328 27.740 -0.037 0.000 2.564 670 C HN 0.840 nan 8.230 nan 0.000 0.603 671 I N 3.564 124.130 120.570 -0.007 0.000 2.548 671 I HA 0.489 4.660 4.170 0.001 0.000 0.287 671 I C -0.469 175.635 176.117 -0.021 0.000 1.103 671 I CA -0.916 60.378 61.300 -0.010 0.000 1.049 671 I CB 1.491 39.474 38.000 -0.029 0.000 1.232 671 I HN 0.864 nan 8.210 nan 0.000 0.429 672 I N 6.330 126.889 120.570 -0.018 0.000 2.379 672 I HA 0.442 4.613 4.170 0.001 0.000 0.290 672 I C -1.760 174.312 176.117 -0.075 0.000 1.063 672 I CA -1.643 59.639 61.300 -0.029 0.000 1.351 672 I CB 0.785 38.775 38.000 -0.016 0.000 1.410 672 I HN 0.536 nan 8.210 nan 0.000 0.505 673 P HA -0.100 nan 4.420 nan 0.000 0.218 673 P C -0.366 176.850 177.300 -0.141 0.000 1.149 673 P CA 1.167 64.148 63.100 -0.199 0.000 0.817 673 P CB 0.146 31.691 31.700 -0.258 0.000 0.785 674 N N -2.350 116.287 118.700 -0.106 0.000 3.116 674 N HA 0.094 4.834 4.740 0.001 0.000 0.244 674 N C 0.094 175.553 175.510 -0.085 0.000 1.485 674 N CA -0.754 52.240 53.050 -0.093 0.000 0.884 674 N CB 0.120 38.550 38.487 -0.096 0.000 1.415 674 N HN -0.318 nan 8.380 nan 0.000 0.524 675 E N 0.252 120.405 120.200 -0.078 0.000 2.465 675 E HA 0.128 4.479 4.350 0.001 0.000 0.191 675 E C -0.075 176.481 176.600 -0.073 0.000 1.053 675 E CA 0.158 56.517 56.400 -0.069 0.000 0.869 675 E CB -0.035 29.627 29.700 -0.064 0.000 0.977 675 E HN 0.724 nan 8.360 nan 0.000 0.483 676 L N 0.423 121.588 121.223 -0.097 0.000 2.640 676 L HA 0.204 4.544 4.340 0.001 0.000 0.230 676 L C 1.287 178.054 176.870 -0.173 0.000 1.123 676 L CA 0.152 54.926 54.840 -0.111 0.000 0.900 676 L CB -0.033 41.961 42.059 -0.108 0.000 1.146 676 L HN 0.110 nan 8.230 nan 0.000 0.484 677 K N 0.296 120.569 120.400 -0.212 0.000 3.426 677 K HA -0.208 4.113 4.320 0.001 0.000 0.315 677 K C -0.008 176.012 176.600 -0.967 0.000 1.293 677 K CA 0.892 56.983 56.287 -0.326 0.000 0.955 677 K CB -0.304 32.127 32.500 -0.115 0.000 1.238 677 K HN 0.258 nan 8.250 nan 0.000 0.441 678 Q N 0.755 120.080 119.800 -0.791 0.000 2.235 678 Q HA 0.345 4.685 4.340 0.001 0.000 0.250 678 Q C -2.373 173.153 176.000 -0.789 0.000 0.909 678 Q CA -1.915 53.300 55.803 -0.980 0.000 0.910 678 Q CB 1.487 30.047 28.738 -0.297 0.000 1.223 678 Q HN 0.143 nan 8.270 nan 0.000 0.432 679 P HA 0.038 nan 4.420 nan 0.000 0.274 679 P C 0.507 177.971 177.300 0.273 0.000 1.237 679 P CA 0.328 63.710 63.100 0.469 0.000 0.793 679 P CB 0.529 32.803 31.700 0.957 0.000 0.977 680 G N 0.897 109.911 108.800 0.356 0.000 2.200 680 G HA2 -0.262 3.698 3.960 0.001 0.000 0.268 680 G HA3 -0.262 3.698 3.960 0.001 0.000 0.268 680 G C -0.056 175.074 174.900 0.382 0.000 0.986 680 G CA 0.137 45.439 45.100 0.337 0.000 0.677 680 G HN 0.491 nan 8.290 nan 0.000 0.532 681 L N 0.603 121.966 121.223 0.234 0.000 2.295 681 L HA 0.644 4.985 4.340 0.001 0.000 0.285 681 L C 0.691 177.569 176.870 0.014 0.000 1.035 681 L CA -1.112 53.791 54.840 0.105 0.000 0.806 681 L CB 1.822 43.896 42.059 0.026 0.000 1.214 681 L HN 0.168 nan 8.230 nan 0.000 0.426 682 V N -0.392 119.517 119.914 -0.008 0.000 2.667 682 V HA 0.529 4.649 4.120 0.001 0.000 0.308 682 V C -0.671 175.393 176.094 -0.050 0.000 1.048 682 V CA -0.690 61.553 62.300 -0.095 0.000 0.928 682 V CB 2.093 33.855 31.823 -0.100 0.000 1.004 682 V HN 0.750 nan 8.190 nan 0.000 0.444 683 D N 2.810 123.172 120.400 -0.065 0.000 2.438 683 D HA 0.508 5.149 4.640 0.001 0.000 0.257 683 D C 1.016 177.305 176.300 -0.018 0.000 1.148 683 D CA 0.222 54.201 54.000 -0.035 0.000 0.902 683 D CB 1.861 42.632 40.800 -0.048 0.000 1.062 683 D HN 0.836 nan 8.370 nan 0.000 0.518 684 A N 3.898 126.727 122.820 0.016 0.000 1.927 684 A HA -0.242 4.079 4.320 0.001 0.000 0.220 684 A C 1.909 179.535 177.584 0.070 0.000 1.185 684 A CA 1.346 53.417 52.037 0.058 0.000 0.639 684 A CB -0.154 18.906 19.000 0.101 0.000 0.820 684 A HN 0.570 nan 8.150 nan 0.000 0.451 685 E N -0.179 120.049 120.200 0.047 0.000 2.038 685 E HA -0.188 4.163 4.350 0.001 0.000 0.195 685 E C 2.147 178.792 176.600 0.075 0.000 1.000 685 E CA 1.157 57.588 56.400 0.052 0.000 0.803 685 E CB -0.544 29.169 29.700 0.021 0.000 0.750 685 E HN 0.680 nan 8.360 nan 0.000 0.448 686 L N 0.906 122.142 121.223 0.021 0.000 1.994 686 L HA -0.184 4.157 4.340 0.001 0.000 0.208 686 L C 2.767 179.654 176.870 0.029 0.000 1.071 686 L CA 1.493 56.320 54.840 -0.022 0.000 0.745 686 L CB -0.737 41.278 42.059 -0.072 0.000 0.892 686 L HN 0.094 nan 8.230 nan 0.000 0.431 687 V N -1.516 118.407 119.914 0.015 0.000 2.219 687 V HA -0.351 3.770 4.120 0.001 0.000 0.248 687 V C 2.335 178.474 176.094 0.075 0.000 1.053 687 V CA 2.051 64.361 62.300 0.017 0.000 1.009 687 V CB -1.101 30.714 31.823 -0.014 0.000 0.636 687 V HN 0.477 nan 8.190 nan 0.000 0.445 688 L N 0.258 121.547 121.223 0.110 0.000 2.021 688 L HA -0.343 3.998 4.340 0.001 0.000 0.215 688 L C 2.824 179.786 176.870 0.154 0.000 1.074 688 L CA 2.845 57.776 54.840 0.152 0.000 0.760 688 L CB -0.838 41.361 42.059 0.233 0.000 0.889 688 L HN 0.701 nan 8.230 nan 0.000 0.433 689 H N -1.143 117.954 119.070 0.045 0.000 2.390 689 H HA -0.250 4.307 4.556 0.001 0.000 0.298 689 H C 2.357 177.698 175.328 0.022 0.000 1.106 689 H CA 2.017 58.082 56.048 0.028 0.000 1.297 689 H CB 0.115 29.882 29.762 0.008 0.000 1.375 689 H HN 0.443 nan 8.280 nan 0.000 0.509 690 Q N 0.618 120.579 119.800 0.269 0.000 2.096 690 Q HA -0.072 4.269 4.340 0.001 0.000 0.197 690 Q C 2.345 178.398 176.000 0.088 0.000 0.964 690 Q CA 0.786 56.705 55.803 0.194 0.000 0.838 690 Q CB -0.092 28.711 28.738 0.109 0.000 0.906 690 Q HN 0.594 nan 8.270 nan 0.000 0.444 691 L N 1.122 122.381 121.223 0.060 0.000 2.661 691 L HA -0.195 4.146 4.340 0.001 0.000 0.236 691 L C 2.336 179.214 176.870 0.012 0.000 1.176 691 L CA 0.900 55.752 54.840 0.021 0.000 0.836 691 L CB -0.080 41.984 42.059 0.010 0.000 0.960 691 L HN 0.321 nan 8.230 nan 0.000 0.455 692 Q N -1.224 118.583 119.800 0.012 0.000 2.514 692 Q HA -0.038 4.303 4.340 0.001 0.000 0.208 692 Q C 2.148 178.134 176.000 -0.022 0.000 0.938 692 Q CA 0.872 56.662 55.803 -0.022 0.000 0.892 692 Q CB 0.118 28.808 28.738 -0.080 0.000 1.050 692 Q HN 0.467 nan 8.270 nan 0.000 0.595 693 C N 2.188 121.478 119.300 -0.018 0.000 2.491 693 C HA -0.017 4.444 4.460 0.001 0.000 0.277 693 C C 1.997 177.014 174.990 0.046 0.000 1.455 693 C CA 0.925 59.968 59.018 0.042 0.000 1.758 693 C CB -1.730 26.085 27.740 0.127 0.000 1.745 693 C HN 0.637 nan 8.230 nan 0.000 0.558 694 N N -0.180 118.517 118.700 -0.005 0.000 2.356 694 N HA 0.180 4.921 4.740 0.001 0.000 0.178 694 N C 1.240 176.655 175.510 -0.157 0.000 1.075 694 N CA 0.831 53.813 53.050 -0.113 0.000 0.889 694 N CB 0.057 38.479 38.487 -0.109 0.000 0.999 694 N HN 0.329 nan 8.380 nan 0.000 0.464 695 G N 1.193 109.971 108.800 -0.036 0.000 2.160 695 G HA2 -0.325 3.636 3.960 0.001 0.000 0.244 695 G HA3 -0.325 3.636 3.960 0.001 0.000 0.244 695 G C 0.830 175.777 174.900 0.078 0.000 1.022 695 G CA 0.410 45.546 45.100 0.059 0.000 0.741 695 G HN 0.467 nan 8.290 nan 0.000 0.508 696 V N -1.187 118.730 119.914 0.005 0.000 2.214 696 V HA -0.180 3.940 4.120 0.001 0.000 0.245 696 V C 2.632 178.771 176.094 0.075 0.000 1.047 696 V CA 2.334 64.646 62.300 0.020 0.000 0.998 696 V CB -1.120 30.700 31.823 -0.004 0.000 0.633 696 V HN 0.758 nan 8.190 nan 0.000 0.446 697 L N -0.074 121.184 121.223 0.057 0.000 1.976 697 L HA -0.254 4.086 4.340 0.001 0.000 0.223 697 L C 3.065 180.021 176.870 0.143 0.000 1.081 697 L CA 2.716 57.596 54.840 0.067 0.000 0.784 697 L CB -0.678 41.403 42.059 0.038 0.000 0.896 697 L HN 0.444 nan 8.230 nan 0.000 0.438 698 E N 0.164 120.495 120.200 0.218 0.000 2.070 698 E HA -0.221 4.130 4.350 0.001 0.000 0.197 698 E C 2.029 178.850 176.600 0.368 0.000 1.004 698 E CA 1.374 58.017 56.400 0.405 0.000 0.805 698 E CB -0.725 29.242 29.700 0.445 0.000 0.744 698 E HN 0.750 nan 8.360 nan 0.000 0.451 699 G N 0.978 109.952 108.800 0.288 0.000 2.516 699 G HA2 -0.199 3.761 3.960 0.001 0.000 0.221 699 G HA3 -0.199 3.761 3.960 0.001 0.000 0.221 699 G C 1.446 176.395 174.900 0.083 0.000 1.107 699 G CA 0.554 45.729 45.100 0.124 0.000 0.747 699 G HN 0.166 nan 8.290 nan 0.000 0.567 700 I N -0.820 119.817 120.570 0.110 0.000 3.339 700 I HA 0.167 4.338 4.170 0.001 0.000 0.285 700 I C 2.423 178.589 176.117 0.080 0.000 1.201 700 I CA 0.108 61.462 61.300 0.088 0.000 1.434 700 I CB -0.814 37.230 38.000 0.074 0.000 1.152 700 I HN 0.127 nan 8.210 nan 0.000 0.443 701 R N 2.009 122.589 120.500 0.133 0.000 2.094 701 R HA -0.196 4.145 4.340 0.001 0.000 0.239 701 R C 2.458 178.855 176.300 0.161 0.000 1.137 701 R CA 2.262 58.462 56.100 0.168 0.000 0.943 701 R CB -0.281 30.208 30.300 0.314 0.000 0.850 701 R HN 0.378 nan 8.270 nan 0.000 0.433 702 I N 0.457 121.122 120.570 0.157 0.000 2.361 702 I HA -0.245 3.926 4.170 0.001 0.000 0.251 702 I C 2.451 178.593 176.117 0.041 0.000 1.133 702 I CA 1.862 63.221 61.300 0.097 0.000 1.413 702 I CB -1.741 36.162 38.000 -0.161 0.000 1.073 702 I HN 0.415 nan 8.210 nan 0.000 0.424 703 C N 1.065 120.377 119.300 0.020 0.000 2.422 703 C HA -0.038 4.423 4.460 0.001 0.000 0.279 703 C C 2.964 177.971 174.990 0.030 0.000 1.305 703 C CA 1.030 60.066 59.018 0.031 0.000 1.757 703 C CB -1.573 26.194 27.740 0.045 0.000 1.962 703 C HN 0.618 nan 8.230 nan 0.000 0.499 704 R N 0.779 121.295 120.500 0.026 0.000 2.105 704 R HA 0.082 4.423 4.340 0.001 0.000 0.214 704 R C 2.222 178.509 176.300 -0.021 0.000 1.091 704 R CA 0.730 56.829 56.100 -0.001 0.000 1.007 704 R CB -0.152 30.140 30.300 -0.015 0.000 0.912 704 R HN 0.326 nan 8.270 nan 0.000 0.450 705 K N 0.153 120.562 120.400 0.015 0.000 2.057 705 K HA 0.028 4.349 4.320 0.001 0.000 0.207 705 K C 1.065 177.644 176.600 -0.034 0.000 1.049 705 K CA 1.393 57.679 56.287 -0.001 0.000 0.931 705 K CB -0.508 32.062 32.500 0.118 0.000 0.714 705 K HN 0.298 nan 8.250 nan 0.000 0.440 706 G N -1.061 107.771 108.800 0.054 0.000 2.494 706 G HA2 0.316 4.277 3.960 0.001 0.000 0.270 706 G HA3 0.316 4.277 3.960 0.001 0.000 0.270 706 G C -0.863 173.920 174.900 -0.195 0.000 1.423 706 G CA -0.571 44.605 45.100 0.128 0.000 1.055 706 G HN 0.121 nan 8.290 nan 0.000 0.536 707 F N 0.245 120.374 119.950 0.297 0.000 2.453 707 F HA 0.345 4.872 4.527 0.001 0.000 0.358 707 F C -1.549 174.548 175.800 0.495 0.000 1.129 707 F CA -1.739 56.535 58.000 0.456 0.000 1.200 707 F CB 2.328 41.682 39.000 0.590 0.000 1.431 707 F HN 0.164 nan 8.300 nan 0.000 0.503 708 P HA -0.038 nan 4.420 nan 0.000 0.236 708 P C -0.242 177.202 177.300 0.241 0.000 1.172 708 P CA 0.797 64.051 63.100 0.257 0.000 0.759 708 P CB 0.224 32.018 31.700 0.157 0.000 0.843 709 S N -0.132 115.774 115.700 0.343 0.000 2.542 709 S HA 0.612 5.083 4.470 0.001 0.000 0.293 709 S C -0.184 174.543 174.600 0.212 0.000 1.089 709 S CA -0.720 57.629 58.200 0.248 0.000 0.961 709 S CB 2.166 65.538 63.200 0.286 0.000 1.062 709 S HN -0.039 nan 8.310 nan 0.000 0.483 710 R N 1.486 121.991 120.500 0.008 0.000 2.564 710 R HA 0.601 4.942 4.340 0.001 0.000 0.284 710 R C -1.705 174.465 176.300 -0.217 0.000 1.031 710 R CA -0.575 55.354 56.100 -0.286 0.000 0.904 710 R CB 1.601 31.729 30.300 -0.288 0.000 1.199 710 R HN 0.448 nan 8.270 nan 0.000 0.443 711 L N 4.464 125.489 121.223 -0.331 0.000 2.464 711 L HA 0.496 4.837 4.340 0.001 0.000 0.266 711 L C -0.143 176.546 176.870 -0.302 0.000 0.965 711 L CA -1.202 53.527 54.840 -0.185 0.000 0.833 711 L CB 2.357 44.435 42.059 0.031 0.000 1.296 711 L HN 0.619 nan 8.230 nan 0.000 0.405 712 I N 0.585 121.069 120.570 -0.144 0.000 2.452 712 I HA 0.033 4.203 4.170 0.001 0.000 0.287 712 I C 0.504 176.618 176.117 -0.005 0.000 1.079 712 I CA 0.220 61.471 61.300 -0.080 0.000 1.387 712 I CB 0.528 38.531 38.000 0.004 0.000 1.404 712 I HN 0.697 nan 8.210 nan 0.000 0.522 713 Y N 4.524 124.848 120.300 0.040 0.000 2.219 713 Y HA -0.339 4.212 4.550 0.001 0.000 0.283 713 Y C 2.967 178.959 175.900 0.154 0.000 1.191 713 Y CA 2.405 60.572 58.100 0.111 0.000 1.199 713 Y CB -0.700 37.790 38.460 0.050 0.000 0.972 713 Y HN 0.837 nan 8.280 nan 0.000 0.527 714 S N -0.332 115.512 115.700 0.240 0.000 2.368 714 S HA -0.188 4.283 4.470 0.001 0.000 0.225 714 S C 1.692 176.361 174.600 0.114 0.000 1.030 714 S CA 1.495 59.784 58.200 0.148 0.000 0.999 714 S CB -0.265 62.992 63.200 0.095 0.000 0.844 714 S HN 0.445 nan 8.310 nan 0.000 0.459 715 E N 0.016 120.279 120.200 0.105 0.000 2.371 715 E HA 0.149 4.500 4.350 0.001 0.000 0.194 715 E C 1.487 178.146 176.600 0.100 0.000 1.012 715 E CA 0.206 56.645 56.400 0.065 0.000 0.860 715 E CB -0.270 29.453 29.700 0.039 0.000 0.811 715 E HN 0.700 nan 8.360 nan 0.000 0.502 716 F N 2.105 122.078 119.950 0.038 0.000 2.187 716 F HA -0.019 4.509 4.527 0.001 0.000 0.295 716 F C 2.369 178.247 175.800 0.130 0.000 1.091 716 F CA 1.225 59.285 58.000 0.100 0.000 1.308 716 F CB 0.140 39.173 39.000 0.055 0.000 1.030 716 F HN -0.175 nan 8.300 nan 0.000 0.487 717 K N -0.015 120.515 120.400 0.216 0.000 2.032 717 K HA -0.250 4.071 4.320 0.001 0.000 0.209 717 K C 2.309 178.875 176.600 -0.057 0.000 1.048 717 K CA 1.617 57.965 56.287 0.102 0.000 0.927 717 K CB -0.410 32.189 32.500 0.165 0.000 0.712 717 K HN 0.240 nan 8.250 nan 0.000 0.441 718 Q N 0.667 120.438 119.800 -0.048 0.000 2.181 718 Q HA -0.161 4.179 4.340 0.001 0.000 0.205 718 Q C 1.639 177.521 176.000 -0.197 0.000 0.980 718 Q CA 1.611 57.356 55.803 -0.097 0.000 0.862 718 Q CB 0.165 28.862 28.738 -0.069 0.000 0.905 718 Q HN 0.365 nan 8.270 nan 0.000 0.429 719 R N -1.946 118.374 120.500 -0.301 0.000 2.237 719 R HA 0.026 4.367 4.340 0.001 0.000 0.195 719 R C 0.410 176.214 176.300 -0.827 0.000 0.956 719 R CA 0.334 56.118 56.100 -0.526 0.000 1.029 719 R CB 0.541 30.486 30.300 -0.592 0.000 0.972 719 R HN 0.132 nan 8.270 nan 0.000 0.493 720 Y N -0.500 119.477 120.300 -0.538 0.000 2.713 720 Y HA 0.302 4.853 4.550 0.001 0.000 0.269 720 Y C 1.224 176.928 175.900 -0.327 0.000 1.106 720 Y CA -0.350 57.434 58.100 -0.527 0.000 1.174 720 Y CB 1.041 38.931 38.460 -0.949 0.000 1.186 720 Y HN -0.095 nan 8.280 nan 0.000 0.555 721 S N 0.829 116.453 115.700 -0.127 0.000 2.377 721 S HA -0.058 4.413 4.470 0.001 0.000 0.223 721 S C 1.757 176.336 174.600 -0.034 0.000 1.030 721 S CA 0.636 58.809 58.200 -0.046 0.000 0.970 721 S CB -0.153 63.019 63.200 -0.046 0.000 0.830 721 S HN 0.590 nan 8.310 nan 0.000 0.473 722 I N 0.348 120.877 120.570 -0.069 0.000 3.421 722 I HA 0.073 4.243 4.170 0.001 0.000 0.321 722 I C 0.327 176.430 176.117 -0.023 0.000 1.159 722 I CA 1.215 62.482 61.300 -0.055 0.000 1.207 722 I CB -1.104 36.842 38.000 -0.090 0.000 0.988 722 I HN 0.271 nan 8.210 nan 0.000 0.569 723 L N 1.262 122.489 121.223 0.007 0.000 3.217 723 L HA 0.443 4.784 4.340 0.001 0.000 0.288 723 L C 0.602 177.492 176.870 0.033 0.000 1.202 723 L CA 0.388 55.247 54.840 0.032 0.000 1.027 723 L CB 0.493 42.597 42.059 0.075 0.000 1.427 723 L HN 0.487 nan 8.230 nan 0.000 0.600 724 A N -0.315 122.521 122.820 0.027 0.000 2.942 724 A HA 0.317 4.638 4.320 0.001 0.000 0.229 724 A C -2.378 175.220 177.584 0.023 0.000 1.326 724 A CA -0.224 51.830 52.037 0.029 0.000 1.355 724 A CB -0.321 18.704 19.000 0.042 0.000 1.231 724 A HN -0.060 nan 8.150 nan 0.000 0.851 725 P HA -0.043 nan 4.420 nan 0.000 0.233 725 P C 0.520 177.825 177.300 0.008 0.000 1.167 725 P CA 1.061 64.164 63.100 0.006 0.000 0.770 725 P CB -0.505 31.192 31.700 -0.004 0.000 0.837 726 N N -0.439 118.268 118.700 0.011 0.000 2.758 726 N HA 0.406 5.147 4.740 0.001 0.000 0.293 726 N C 0.457 175.976 175.510 0.015 0.000 1.273 726 N CA -0.331 52.725 53.050 0.011 0.000 1.022 726 N CB 0.155 38.648 38.487 0.010 0.000 1.334 726 N HN -0.118 nan 8.380 nan 0.000 0.519 727 A N 0.471 123.302 122.820 0.018 0.000 2.418 727 A HA 0.129 4.450 4.320 0.001 0.000 0.204 727 A C -0.139 177.461 177.584 0.026 0.000 1.744 727 A CA -0.463 51.588 52.037 0.023 0.000 1.159 727 A CB -0.348 18.668 19.000 0.028 0.000 1.020 727 A HN 0.420 nan 8.150 nan 0.000 0.451 728 I N 0.037 120.621 120.570 0.022 0.000 2.460 728 I HA 0.707 4.878 4.170 0.001 0.000 0.277 728 I C -2.033 174.094 176.117 0.016 0.000 1.057 728 I CA -1.827 59.487 61.300 0.024 0.000 1.179 728 I CB 0.150 38.165 38.000 0.025 0.000 1.329 728 I HN -0.041 nan 8.210 nan 0.000 0.478 735 G N 2.722 111.540 108.800 0.028 0.000 2.448 735 G HA2 -0.238 3.723 3.960 0.001 0.000 0.219 735 G HA3 -0.238 3.723 3.960 0.001 0.000 0.219 735 G C 1.254 176.205 174.900 0.084 0.000 1.127 735 G CA 0.679 45.838 45.100 0.098 0.000 0.766 735 G HN 0.456 nan 8.290 nan 0.000 0.552 736 K N 0.033 120.333 120.400 -0.167 0.000 2.366 736 K HA -0.005 4.316 4.320 0.001 0.000 0.198 736 K C 2.634 179.092 176.600 -0.236 0.000 1.044 736 K CA 1.385 57.332 56.287 -0.567 0.000 0.973 736 K CB 0.070 32.132 32.500 -0.730 0.000 0.767 736 K HN 0.487 nan 8.250 nan 0.000 0.475 737 T N -1.870 112.634 114.554 -0.083 0.000 3.039 737 T HA -0.022 4.328 4.350 0.001 0.000 0.250 737 T C 2.157 176.883 174.700 0.043 0.000 1.052 737 T CA 0.500 62.586 62.100 -0.024 0.000 1.125 737 T CB -0.499 68.354 68.868 -0.025 0.000 0.908 737 T HN 0.016 nan 8.240 nan 0.000 0.473 738 V N 2.269 122.227 119.914 0.073 0.000 2.287 738 V HA -0.173 3.947 4.120 0.001 0.000 0.248 738 V C 2.803 179.002 176.094 0.175 0.000 1.053 738 V CA 2.384 64.750 62.300 0.110 0.000 1.027 738 V CB -1.847 30.048 31.823 0.120 0.000 0.646 738 V HN 0.685 nan 8.190 nan 0.000 0.447 739 S N -0.299 115.558 115.700 0.263 0.000 2.406 739 S HA -0.145 4.326 4.470 0.001 0.000 0.228 739 S C 1.880 176.587 174.600 0.177 0.000 1.020 739 S CA 1.119 59.533 58.200 0.356 0.000 0.965 739 S CB -0.596 62.858 63.200 0.423 0.000 0.798 739 S HN 0.680 nan 8.310 nan 0.000 0.488 740 E N 2.010 122.279 120.200 0.116 0.000 2.110 740 E HA -0.091 4.260 4.350 0.001 0.000 0.193 740 E C 1.971 178.597 176.600 0.044 0.000 0.988 740 E CA 1.085 57.514 56.400 0.049 0.000 0.804 740 E CB -0.185 29.530 29.700 0.026 0.000 0.745 740 E HN 0.696 nan 8.360 nan 0.000 0.458 741 K N 0.442 120.883 120.400 0.068 0.000 1.995 741 K HA -0.086 4.235 4.320 0.001 0.000 0.207 741 K C 2.471 179.115 176.600 0.073 0.000 1.041 741 K CA 1.164 57.487 56.287 0.061 0.000 0.942 741 K CB -0.560 31.976 32.500 0.061 0.000 0.731 741 K HN 0.090 nan 8.250 nan 0.000 0.439 742 I N 0.283 120.923 120.570 0.116 0.000 2.091 742 I HA -0.318 3.853 4.170 0.001 0.000 0.240 742 I C 1.943 178.123 176.117 0.104 0.000 1.046 742 I CA 1.866 63.244 61.300 0.130 0.000 1.306 742 I CB -0.751 37.381 38.000 0.220 0.000 1.018 742 I HN 0.069 nan 8.210 nan 0.000 0.404 743 L N 0.103 121.391 121.223 0.108 0.000 2.265 743 L HA -0.122 4.218 4.340 0.001 0.000 0.215 743 L C 2.743 179.582 176.870 -0.051 0.000 1.117 743 L CA 1.145 55.983 54.840 -0.003 0.000 0.782 743 L CB -0.687 41.278 42.059 -0.157 0.000 0.914 743 L HN 0.574 nan 8.230 nan 0.000 0.441 744 A N -0.150 122.664 122.820 -0.010 0.000 1.874 744 A HA 0.003 4.324 4.320 0.001 0.000 0.214 744 A C 2.355 179.956 177.584 0.030 0.000 1.189 744 A CA 1.175 53.218 52.037 0.010 0.000 0.615 744 A CB -1.052 17.962 19.000 0.023 0.000 0.830 744 A HN 0.388 nan 8.150 nan 0.000 0.443 745 G N 0.124 108.945 108.800 0.036 0.000 2.514 745 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 745 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 745 G C 1.389 176.312 174.900 0.038 0.000 1.198 745 G CA 1.039 46.161 45.100 0.037 0.000 0.780 745 G HN 0.405 nan 8.290 nan 0.000 0.565 746 L N 0.364 121.612 121.223 0.041 0.000 2.661 746 L HA -0.091 4.250 4.340 0.001 0.000 0.236 746 L C 0.821 177.720 176.870 0.048 0.000 1.176 746 L CA 0.557 55.422 54.840 0.042 0.000 0.836 746 L CB -0.361 41.723 42.059 0.042 0.000 0.960 746 L HN 0.366 nan 8.230 nan 0.000 0.455 747 Q N -0.154 119.675 119.800 0.049 0.000 2.439 747 Q HA -0.213 4.128 4.340 0.001 0.000 0.325 747 Q C -0.178 175.874 176.000 0.087 0.000 1.372 747 Q CA 1.048 56.888 55.803 0.062 0.000 0.909 747 Q CB -1.239 27.531 28.738 0.053 0.000 1.167 747 Q HN 0.416 nan 8.270 nan 0.000 0.418 748 M N 0.471 120.128 119.600 0.096 0.000 2.200 748 M HA 0.152 4.633 4.480 0.001 0.000 0.355 748 M C 0.738 177.239 176.300 0.336 0.000 1.283 748 M CA -0.011 55.388 55.300 0.164 0.000 1.124 748 M CB 0.395 33.032 32.600 0.062 0.000 1.625 748 M HN 0.074 nan 8.290 nan 0.000 0.463 749 D N 5.738 126.323 120.400 0.308 0.000 2.472 749 D HA 0.024 4.665 4.640 0.001 0.000 0.248 749 D C -1.553 174.859 176.300 0.187 0.000 1.174 749 D CA -1.103 53.032 54.000 0.226 0.000 0.883 749 D CB 1.334 42.206 40.800 0.121 0.000 1.149 749 D HN 0.287 nan 8.370 nan 0.000 0.488 750 P HA -0.158 nan 4.420 nan 0.000 0.220 750 P C 0.842 177.611 177.300 -0.886 0.000 1.144 750 P CA 0.932 63.612 63.100 -0.699 0.000 0.800 750 P CB 0.161 31.731 31.700 -0.217 0.000 0.772 751 A N 0.941 123.526 122.820 -0.393 0.000 1.832 751 A HA -0.158 4.163 4.320 0.001 0.000 0.214 751 A C 1.918 179.406 177.584 -0.161 0.000 1.200 751 A CA 1.217 53.112 52.037 -0.236 0.000 0.610 751 A CB -1.259 17.689 19.000 -0.087 0.000 0.842 751 A HN 0.054 nan 8.150 nan 0.000 0.444 752 E N -0.412 119.791 120.200 0.004 0.000 2.499 752 E HA -0.021 4.329 4.350 0.001 0.000 0.207 752 E C -0.619 176.172 176.600 0.318 0.000 1.175 752 E CA 0.585 57.123 56.400 0.230 0.000 0.932 752 E CB -0.877 29.002 29.700 0.299 0.000 0.906 752 E HN 0.775 nan 8.360 nan 0.000 0.556 753 Y N -3.037 117.264 120.300 0.001 0.000 2.774 753 Y HA 0.611 5.161 4.550 0.001 0.000 0.346 753 Y C -0.926 174.804 175.900 -0.284 0.000 1.222 753 Y CA -1.537 56.436 58.100 -0.212 0.000 1.088 753 Y CB 0.865 39.102 38.460 -0.371 0.000 1.354 753 Y HN -0.325 nan 8.280 nan 0.000 0.455 754 R N 1.467 121.951 120.500 -0.028 0.000 2.707 754 R HA 0.438 4.779 4.340 0.001 0.000 0.272 754 R C 0.130 176.516 176.300 0.143 0.000 1.011 754 R CA -0.904 55.197 56.100 0.002 0.000 0.893 754 R CB 2.323 32.553 30.300 -0.117 0.000 1.233 754 R HN 0.951 nan 8.270 nan 0.000 0.464 755 L N 1.082 122.390 121.223 0.142 0.000 2.077 755 L HA -0.163 4.178 4.340 0.001 0.000 0.247 755 L C 0.901 177.943 176.870 0.287 0.000 1.084 755 L CA 2.338 57.283 54.840 0.175 0.000 0.864 755 L CB -0.382 41.746 42.059 0.115 0.000 0.925 755 L HN 0.965 nan 8.230 nan 0.000 0.427 756 G N -2.747 106.216 108.800 0.272 0.000 2.650 756 G HA2 -0.155 3.806 3.960 0.001 0.000 0.686 756 G HA3 -0.155 3.806 3.960 0.001 0.000 0.686 756 G C 0.255 175.313 174.900 0.265 0.000 1.205 756 G CA 0.025 45.343 45.100 0.364 0.000 0.781 756 G HN 0.689 nan 8.290 nan 0.000 0.648 757 T N -3.110 111.567 114.554 0.204 0.000 2.837 757 T HA 0.109 4.459 4.350 0.001 0.000 0.248 757 T C 2.400 177.186 174.700 0.143 0.000 1.033 757 T CA 2.628 64.794 62.100 0.110 0.000 1.150 757 T CB -0.385 68.527 68.868 0.074 0.000 0.865 757 T HN 1.915 nan 8.240 nan 0.000 0.425 758 T N -1.254 113.427 114.554 0.211 0.000 3.040 758 T HA 0.419 4.769 4.350 0.001 0.000 0.250 758 T C 0.375 175.298 174.700 0.372 0.000 1.058 758 T CA -0.473 61.779 62.100 0.253 0.000 0.988 758 T CB -0.020 68.924 68.868 0.127 0.000 0.993 758 T HN 0.410 nan 8.240 nan 0.000 0.519 759 K N 1.035 121.565 120.400 0.216 0.000 2.536 759 K HA 0.598 4.919 4.320 0.001 0.000 0.269 759 K C -1.207 174.949 176.600 -0.741 0.000 0.965 759 K CA -1.102 54.934 56.287 -0.418 0.000 0.860 759 K CB 3.003 35.210 32.500 -0.487 0.000 1.423 759 K HN 0.079 nan 8.250 nan 0.000 0.438 760 V N -0.955 118.305 119.914 -1.091 0.000 2.567 760 V HA 0.589 4.709 4.120 0.001 0.000 0.289 760 V C -0.844 174.685 176.094 -0.941 0.000 1.049 760 V CA -0.434 61.316 62.300 -0.917 0.000 0.969 760 V CB 0.164 31.389 31.823 -0.997 0.000 0.995 760 V HN 0.523 nan 8.190 nan 0.000 0.471 761 F N 4.286 123.951 119.950 -0.476 0.000 2.403 761 F HA 0.684 5.212 4.527 0.001 0.000 0.355 761 F C -0.378 175.228 175.800 -0.324 0.000 1.119 761 F CA -0.513 57.354 58.000 -0.222 0.000 1.007 761 F CB 1.384 40.361 39.000 -0.039 0.000 1.194 761 F HN 0.397 nan 8.300 nan 0.000 0.443 762 F N 2.810 122.916 119.950 0.260 0.000 2.427 762 F HA 0.401 4.929 4.527 0.001 0.000 0.346 762 F C 0.615 176.682 175.800 0.445 0.000 1.120 762 F CA -1.092 57.080 58.000 0.287 0.000 1.033 762 F CB 1.364 40.445 39.000 0.136 0.000 1.126 762 F HN 0.379 nan 8.300 nan 0.000 0.462 763 K N 2.015 122.850 120.400 0.725 0.000 2.256 763 K HA 0.318 4.639 4.320 0.001 0.000 0.255 763 K C 0.231 177.046 176.600 0.358 0.000 1.012 763 K CA -0.081 56.615 56.287 0.682 0.000 0.841 763 K CB 0.313 33.132 32.500 0.531 0.000 1.025 763 K HN 0.770 nan 8.250 nan 0.000 0.527 764 A N 0.489 123.408 122.820 0.165 0.000 2.483 764 A HA 0.369 4.690 4.320 0.001 0.000 0.238 764 A C 1.253 178.906 177.584 0.114 0.000 1.070 764 A CA 0.531 52.638 52.037 0.117 0.000 0.770 764 A CB -0.655 18.368 19.000 0.039 0.000 1.008 764 A HN 1.037 nan 8.150 nan 0.000 0.497 765 G N 0.119 108.976 108.800 0.095 0.000 2.674 765 G HA2 -0.323 3.638 3.960 0.001 0.000 0.236 765 G HA3 -0.323 3.638 3.960 0.001 0.000 0.236 765 G C 1.514 176.459 174.900 0.075 0.000 1.178 765 G CA 1.518 46.662 45.100 0.074 0.000 0.721 765 G HN 2.175 nan 8.290 nan 0.000 0.515 766 V N -0.143 119.838 119.914 0.113 0.000 2.277 766 V HA -0.245 3.876 4.120 0.001 0.000 0.253 766 V C 2.645 178.733 176.094 -0.011 0.000 1.067 766 V CA 2.729 65.089 62.300 0.100 0.000 1.047 766 V CB -0.932 31.030 31.823 0.232 0.000 0.649 766 V HN 0.543 nan 8.190 nan 0.000 0.447 767 L N 0.900 122.104 121.223 -0.031 0.000 2.131 767 L HA -0.027 4.313 4.340 0.001 0.000 0.210 767 L C 2.783 179.640 176.870 -0.022 0.000 1.092 767 L CA 1.619 56.383 54.840 -0.126 0.000 0.759 767 L CB -1.105 40.918 42.059 -0.060 0.000 0.903 767 L HN 0.581 nan 8.230 nan 0.000 0.435 768 G N -0.361 108.447 108.800 0.014 0.000 2.408 768 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 768 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 768 G C 1.330 176.246 174.900 0.027 0.000 1.150 768 G CA 0.402 45.518 45.100 0.027 0.000 0.776 768 G HN 0.349 nan 8.290 nan 0.000 0.542 769 N N 0.292 119.003 118.700 0.018 0.000 2.396 769 N HA 0.040 4.781 4.740 0.001 0.000 0.180 769 N C 2.083 177.602 175.510 0.016 0.000 1.028 769 N CA 0.332 53.394 53.050 0.020 0.000 0.893 769 N CB 0.025 38.526 38.487 0.024 0.000 0.967 769 N HN 0.281 nan 8.380 nan 0.000 0.440 770 L N 0.754 121.968 121.223 -0.015 0.000 2.179 770 L HA 0.007 4.348 4.340 0.001 0.000 0.208 770 L C 2.221 179.254 176.870 0.271 0.000 1.096 770 L CA 0.755 55.594 54.840 -0.003 0.000 0.779 770 L CB -0.065 41.710 42.059 -0.474 0.000 0.922 770 L HN 0.027 nan 8.230 nan 0.000 0.443 771 E N 0.080 120.397 120.200 0.194 0.000 2.347 771 E HA -0.179 4.172 4.350 0.001 0.000 0.196 771 E C 1.720 178.349 176.600 0.047 0.000 1.008 771 E CA 0.514 56.981 56.400 0.111 0.000 0.852 771 E CB 0.314 30.048 29.700 0.056 0.000 0.783 771 E HN 0.373 nan 8.360 nan 0.000 0.505 772 E N 0.387 120.618 120.200 0.051 0.000 2.005 772 E HA -0.101 4.250 4.350 0.001 0.000 0.191 772 E C 1.987 178.605 176.600 0.029 0.000 0.987 772 E CA 0.675 57.092 56.400 0.028 0.000 0.814 772 E CB -0.092 29.624 29.700 0.027 0.000 0.772 772 E HN 0.185 nan 8.360 nan 0.000 0.453 773 M N 0.597 120.223 119.600 0.043 0.000 2.192 773 M HA -0.206 4.275 4.480 0.001 0.000 0.259 773 M C 2.367 178.688 176.300 0.036 0.000 1.071 773 M CA 1.352 56.677 55.300 0.041 0.000 1.082 773 M CB -1.150 31.481 32.600 0.051 0.000 1.373 773 M HN 0.122 nan 8.290 nan 0.000 0.408 774 R N 0.537 121.067 120.500 0.050 0.000 2.081 774 R HA -0.156 4.185 4.340 0.001 0.000 0.235 774 R C 1.596 177.866 176.300 -0.051 0.000 1.131 774 R CA 1.633 57.718 56.100 -0.024 0.000 0.960 774 R CB 0.007 30.237 30.300 -0.117 0.000 0.856 774 R HN 0.365 nan 8.270 nan 0.000 0.436 775 D N 0.163 120.543 120.400 -0.034 0.000 2.120 775 D HA -0.121 4.519 4.640 0.001 0.000 0.202 775 D C 1.813 178.100 176.300 -0.023 0.000 0.972 775 D CA 0.776 54.754 54.000 -0.036 0.000 0.837 775 D CB -0.103 40.681 40.800 -0.027 0.000 0.989 775 D HN 0.220 nan 8.370 nan 0.000 0.469 776 E N 1.304 121.498 120.200 -0.010 0.000 2.068 776 E HA -0.230 4.121 4.350 0.001 0.000 0.207 776 E C 2.194 178.789 176.600 -0.009 0.000 1.032 776 E CA 1.023 57.420 56.400 -0.005 0.000 0.839 776 E CB -0.392 29.311 29.700 0.004 0.000 0.758 776 E HN 0.317 nan 8.360 nan 0.000 0.457 777 R N 0.290 120.783 120.500 -0.011 0.000 2.096 777 R HA -0.098 4.243 4.340 0.001 0.000 0.240 777 R C 2.701 178.986 176.300 -0.025 0.000 1.139 777 R CA 1.074 57.165 56.100 -0.015 0.000 0.952 777 R CB -0.494 29.796 30.300 -0.018 0.000 0.854 777 R HN 0.194 nan 8.270 nan 0.000 0.436 778 L N 0.825 122.025 121.223 -0.039 0.000 2.191 778 L HA -0.191 4.150 4.340 0.001 0.000 0.212 778 L C 2.604 179.455 176.870 -0.031 0.000 1.103 778 L CA 1.489 56.301 54.840 -0.047 0.000 0.769 778 L CB -0.411 41.609 42.059 -0.066 0.000 0.908 778 L HN 0.372 nan 8.230 nan 0.000 0.438 779 S N -0.645 115.043 115.700 -0.021 0.000 2.362 779 S HA -0.215 4.256 4.470 0.001 0.000 0.221 779 S C 1.939 176.540 174.600 0.001 0.000 1.032 779 S CA 0.819 59.014 58.200 -0.010 0.000 0.973 779 S CB -0.174 63.022 63.200 -0.007 0.000 0.849 779 S HN 0.295 nan 8.310 nan 0.000 0.465 780 K N 1.659 122.060 120.400 0.002 0.000 1.977 780 K HA -0.200 4.120 4.320 0.001 0.000 0.218 780 K C 2.265 178.876 176.600 0.019 0.000 1.051 780 K CA 2.050 58.343 56.287 0.010 0.000 0.953 780 K CB -0.826 31.678 32.500 0.007 0.000 0.727 780 K HN 0.532 nan 8.250 nan 0.000 0.445 781 I N 0.319 120.895 120.570 0.010 0.000 2.181 781 I HA -0.313 3.858 4.170 0.001 0.000 0.247 781 I C 1.725 177.871 176.117 0.049 0.000 1.081 781 I CA 1.762 63.073 61.300 0.018 0.000 1.340 781 I CB -0.458 37.535 38.000 -0.012 0.000 1.036 781 I HN 0.212 nan 8.210 nan 0.000 0.417 782 I N 1.663 122.252 120.570 0.032 0.000 2.394 782 I HA -0.183 3.988 4.170 0.001 0.000 0.251 782 I C 2.782 178.959 176.117 0.100 0.000 1.136 782 I CA 1.759 63.094 61.300 0.057 0.000 1.425 782 I CB -1.793 36.218 38.000 0.018 0.000 1.079 782 I HN 0.618 nan 8.210 nan 0.000 0.425 783 S N 1.088 116.827 115.700 0.064 0.000 2.357 783 S HA -0.192 4.279 4.470 0.001 0.000 0.221 783 S C 2.037 176.677 174.600 0.067 0.000 1.031 783 S CA 0.757 58.989 58.200 0.054 0.000 0.982 783 S CB -0.624 62.594 63.200 0.031 0.000 0.853 783 S HN 0.248 nan 8.310 nan 0.000 0.458 784 M N 0.982 120.626 119.600 0.073 0.000 2.267 784 M HA 0.154 4.635 4.480 0.001 0.000 0.263 784 M C 1.570 177.938 176.300 0.113 0.000 1.063 784 M CA 1.124 56.468 55.300 0.073 0.000 1.090 784 M CB -0.871 31.764 32.600 0.058 0.000 1.392 784 M HN 0.488 nan 8.290 nan 0.000 0.422 785 F N -0.991 118.963 119.950 0.006 0.000 2.664 785 F HA 0.030 4.558 4.527 0.001 0.000 0.296 785 F C 2.206 178.029 175.800 0.038 0.000 1.125 785 F CA 0.813 58.830 58.000 0.027 0.000 1.444 785 F CB -0.101 38.895 39.000 -0.006 0.000 1.114 785 F HN 0.146 nan 8.300 nan 0.000 0.576 786 Q N 0.277 120.107 119.800 0.050 0.000 2.250 786 Q HA 0.043 4.383 4.340 0.001 0.000 0.200 786 Q C 2.240 178.181 176.000 -0.099 0.000 0.941 786 Q CA 1.038 56.815 55.803 -0.043 0.000 0.872 786 Q CB 0.049 28.803 28.738 0.026 0.000 0.965 786 Q HN 0.455 nan 8.270 nan 0.000 0.480 787 A N 0.266 123.062 122.820 -0.040 0.000 1.873 787 A HA -0.204 4.116 4.320 0.001 0.000 0.215 787 A C 1.999 179.552 177.584 -0.052 0.000 1.186 787 A CA 1.517 53.537 52.037 -0.028 0.000 0.616 787 A CB -1.067 17.939 19.000 0.010 0.000 0.823 787 A HN 0.563 nan 8.150 nan 0.000 0.442 788 H N 0.075 119.031 119.070 -0.190 0.000 2.422 788 H HA -0.154 4.403 4.556 0.001 0.000 0.298 788 H C 1.971 177.109 175.328 -0.317 0.000 1.098 788 H CA 1.889 57.796 56.048 -0.236 0.000 1.315 788 H CB 0.010 29.581 29.762 -0.319 0.000 1.382 788 H HN 0.579 nan 8.280 nan 0.000 0.523 789 I N -0.837 119.447 120.570 -0.476 0.000 2.617 789 I HA -0.063 4.108 4.170 0.001 0.000 0.256 789 I C 2.379 178.212 176.117 -0.473 0.000 1.167 789 I CA 0.848 61.748 61.300 -0.666 0.000 1.469 789 I CB -0.260 37.374 38.000 -0.609 0.000 1.098 789 I HN -0.068 nan 8.210 nan 0.000 0.436 790 R N 1.161 121.519 120.500 -0.238 0.000 2.073 790 R HA 0.082 4.423 4.340 0.001 0.000 0.229 790 R C 2.403 178.688 176.300 -0.025 0.000 1.120 790 R CA 1.284 57.320 56.100 -0.106 0.000 0.967 790 R CB -0.787 29.474 30.300 -0.065 0.000 0.862 790 R HN 0.578 nan 8.270 nan 0.000 0.436 791 G N 0.620 109.393 108.800 -0.045 0.000 2.443 791 G HA2 -0.282 3.678 3.960 0.001 0.000 0.219 791 G HA3 -0.282 3.678 3.960 0.001 0.000 0.219 791 G C 1.247 176.173 174.900 0.044 0.000 1.131 791 G CA 0.599 45.694 45.100 -0.008 0.000 0.775 791 G HN 0.393 nan 8.290 nan 0.000 0.547 792 Y N 1.065 121.227 120.300 -0.229 0.000 2.153 792 Y HA 0.078 4.629 4.550 0.001 0.000 0.289 792 Y C 2.178 177.999 175.900 -0.131 0.000 1.127 792 Y CA 0.970 58.935 58.100 -0.224 0.000 1.131 792 Y CB -1.123 37.145 38.460 -0.319 0.000 0.995 792 Y HN 0.146 nan 8.280 nan 0.000 0.505 793 L N 0.644 122.965 121.223 1.830 0.000 2.083 793 L HA -0.134 4.206 4.340 0.001 0.000 0.209 793 L C 2.436 179.386 176.870 0.133 0.000 1.083 793 L CA 2.159 57.334 54.840 0.559 0.000 0.752 793 L CB -0.553 41.856 42.059 0.583 0.000 0.899 793 L HN 0.479 nan 8.230 nan 0.000 0.433 794 I N -0.873 119.773 120.570 0.127 0.000 2.072 794 I HA -0.287 3.884 4.170 0.001 0.000 0.235 794 I C 2.552 178.697 176.117 0.047 0.000 1.058 794 I CA 1.535 62.876 61.300 0.068 0.000 1.320 794 I CB -0.844 37.190 38.000 0.056 0.000 1.047 794 I HN 0.069 nan 8.210 nan 0.000 0.397 795 R N 0.674 121.180 120.500 0.010 0.000 2.170 795 R HA -0.229 4.112 4.340 0.001 0.000 0.242 795 R C 2.395 178.674 176.300 -0.035 0.000 1.145 795 R CA 1.890 57.973 56.100 -0.029 0.000 0.984 795 R CB -0.580 29.665 30.300 -0.092 0.000 0.869 795 R HN 0.567 nan 8.270 nan 0.000 0.455 796 K N 0.763 121.092 120.400 -0.118 0.000 2.057 796 K HA -0.058 4.263 4.320 0.001 0.000 0.206 796 K C 0.492 177.061 176.600 -0.052 0.000 1.050 796 K CA 1.326 57.515 56.287 -0.164 0.000 0.935 796 K CB 0.107 32.394 32.500 -0.354 0.000 0.715 796 K HN 0.102 nan 8.250 nan 0.000 0.439 797 A N 0.446 123.260 122.820 -0.010 0.000 3.016 797 A HA 0.167 4.488 4.320 0.001 0.000 0.303 797 A C -0.184 177.447 177.584 0.078 0.000 1.507 797 A CA -0.528 51.518 52.037 0.015 0.000 1.196 797 A CB -0.268 18.735 19.000 0.006 0.000 1.169 797 A HN 0.565 nan 8.150 nan 0.000 0.544 798 Y N 1.079 121.351 120.300 -0.047 0.000 2.572 798 Y HA 0.189 4.740 4.550 0.001 0.000 0.274 798 Y C 1.820 177.701 175.900 -0.031 0.000 1.135 798 Y CA 0.886 58.965 58.100 -0.035 0.000 1.230 798 Y CB 0.254 38.692 38.460 -0.038 0.000 1.293 798 Y HN 0.449 nan 8.280 nan 0.000 0.501 799 K N 1.126 121.548 120.400 0.038 0.000 2.001 799 K HA -0.181 4.139 4.320 0.001 0.000 0.208 799 K C 2.150 178.691 176.600 -0.099 0.000 1.048 799 K CA 1.771 58.042 56.287 -0.027 0.000 0.932 799 K CB -0.152 32.360 32.500 0.020 0.000 0.715 799 K HN 0.148 nan 8.250 nan 0.000 0.437 800 K N 0.532 120.892 120.400 -0.066 0.000 2.173 800 K HA -0.137 4.183 4.320 0.001 0.000 0.207 800 K C 1.720 178.259 176.600 -0.102 0.000 1.046 800 K CA 1.379 57.625 56.287 -0.068 0.000 0.929 800 K CB -0.025 32.449 32.500 -0.044 0.000 0.720 800 K HN 0.230 nan 8.250 nan 0.000 0.453 801 L N 0.305 121.412 121.223 -0.194 0.000 2.592 801 L HA -0.005 4.336 4.340 0.001 0.000 0.227 801 L C 1.774 178.489 176.870 -0.258 0.000 1.127 801 L CA 0.126 54.844 54.840 -0.203 0.000 0.884 801 L CB 0.145 42.084 42.059 -0.200 0.000 1.065 801 L HN 0.269 nan 8.230 nan 0.000 0.457 802 Q N -0.493 119.107 119.800 -0.333 0.000 2.396 802 Q HA -0.063 4.278 4.340 0.001 0.000 0.220 802 Q C 1.507 177.421 176.000 -0.143 0.000 0.900 802 Q CA 0.880 56.520 55.803 -0.273 0.000 0.925 802 Q CB 0.356 28.872 28.738 -0.370 0.000 1.065 802 Q HN 0.642 nan 8.270 nan 0.000 0.535 803 D N 0.021 120.346 120.400 -0.126 0.000 2.137 803 D HA -0.178 4.463 4.640 0.001 0.000 0.202 803 D C 1.694 177.957 176.300 -0.061 0.000 0.970 803 D CA 0.718 54.675 54.000 -0.071 0.000 0.837 803 D CB -0.002 40.766 40.800 -0.052 0.000 0.981 803 D HN 0.025 nan 8.370 nan 0.000 0.475 804 Q N 1.060 120.818 119.800 -0.070 0.000 2.230 804 Q HA -0.090 4.251 4.340 0.001 0.000 0.202 804 Q C 2.260 178.229 176.000 -0.053 0.000 0.963 804 Q CA 0.489 56.260 55.803 -0.054 0.000 0.866 804 Q CB -0.098 28.608 28.738 -0.053 0.000 0.931 804 Q HN 0.327 nan 8.270 nan 0.000 0.452 805 R N 0.499 120.958 120.500 -0.067 0.000 2.148 805 R HA -0.141 4.200 4.340 0.001 0.000 0.227 805 R C 2.309 178.583 176.300 -0.043 0.000 1.103 805 R CA 1.266 57.331 56.100 -0.057 0.000 0.983 805 R CB -0.179 30.078 30.300 -0.072 0.000 0.874 805 R HN 0.344 nan 8.270 nan 0.000 0.451 806 I N -2.488 118.055 120.570 -0.044 0.000 2.270 806 I HA 0.197 4.368 4.170 0.001 0.000 0.239 806 I C 2.115 178.215 176.117 -0.028 0.000 1.080 806 I CA 1.585 62.865 61.300 -0.033 0.000 1.383 806 I CB -1.162 36.820 38.000 -0.031 0.000 1.097 806 I HN -0.022 nan 8.210 nan 0.000 0.420 807 G N 1.197 109.979 108.800 -0.030 0.000 2.516 807 G HA2 -0.156 3.804 3.960 0.001 0.000 0.221 807 G HA3 -0.156 3.804 3.960 0.001 0.000 0.221 807 G C 1.630 176.516 174.900 -0.023 0.000 1.107 807 G CA 1.246 46.330 45.100 -0.026 0.000 0.747 807 G HN 0.486 nan 8.290 nan 0.000 0.567 808 L N 0.612 121.821 121.223 -0.023 0.000 2.253 808 L HA 0.019 4.360 4.340 0.001 0.000 0.205 808 L C 3.179 180.041 176.870 -0.014 0.000 1.078 808 L CA 1.079 55.908 54.840 -0.018 0.000 0.805 808 L CB -0.171 41.876 42.059 -0.020 0.000 0.963 808 L HN 0.410 nan 8.230 nan 0.000 0.459 809 S N -0.100 115.590 115.700 -0.017 0.000 2.402 809 S HA -0.135 4.336 4.470 0.001 0.000 0.229 809 S C 1.880 176.473 174.600 -0.011 0.000 1.021 809 S CA 1.076 59.269 58.200 -0.013 0.000 0.974 809 S CB -0.996 62.194 63.200 -0.016 0.000 0.800 809 S HN 0.296 nan 8.310 nan 0.000 0.484 810 V N 2.788 122.694 119.914 -0.014 0.000 2.214 810 V HA -0.178 3.943 4.120 0.001 0.000 0.244 810 V C 2.524 178.613 176.094 -0.009 0.000 1.045 810 V CA 1.524 63.816 62.300 -0.014 0.000 0.993 810 V CB -1.754 30.058 31.823 -0.018 0.000 0.633 810 V HN 0.583 nan 8.190 nan 0.000 0.449 811 I N -0.458 120.106 120.570 -0.010 0.000 2.181 811 I HA -0.306 3.865 4.170 0.001 0.000 0.247 811 I C 2.536 178.659 176.117 0.010 0.000 1.081 811 I CA 2.724 64.022 61.300 -0.002 0.000 1.340 811 I CB -1.067 36.931 38.000 -0.004 0.000 1.036 811 I HN 0.494 nan 8.210 nan 0.000 0.417 812 Q N 1.180 120.983 119.800 0.006 0.000 2.079 812 Q HA -0.156 4.185 4.340 0.001 0.000 0.200 812 Q C 2.452 178.460 176.000 0.012 0.000 0.974 812 Q CA 1.809 57.618 55.803 0.010 0.000 0.840 812 Q CB -0.060 28.679 28.738 0.002 0.000 0.898 812 Q HN 0.655 nan 8.270 nan 0.000 0.430 813 R N 0.705 121.208 120.500 0.006 0.000 2.119 813 R HA 0.007 4.348 4.340 0.001 0.000 0.222 813 R C 1.799 178.105 176.300 0.011 0.000 1.088 813 R CA 1.202 57.305 56.100 0.005 0.000 0.984 813 R CB -0.202 30.097 30.300 -0.002 0.000 0.884 813 R HN 0.434 nan 8.270 nan 0.000 0.447 814 N N 0.660 119.368 118.700 0.013 0.000 2.383 814 N HA -0.067 4.674 4.740 0.001 0.000 0.192 814 N C 1.189 176.734 175.510 0.059 0.000 1.141 814 N CA 0.431 53.492 53.050 0.019 0.000 0.851 814 N CB 0.363 38.848 38.487 -0.003 0.000 0.976 814 N HN 0.156 nan 8.380 nan 0.000 0.465 815 I N 0.723 121.341 120.570 0.080 0.000 3.883 815 I HA 0.163 4.334 4.170 0.001 0.000 0.305 815 I C 2.179 178.374 176.117 0.130 0.000 1.247 815 I CA 0.004 61.401 61.300 0.161 0.000 1.350 815 I CB -0.220 37.859 38.000 0.132 0.000 1.194 815 I HN -0.094 nan 8.210 nan 0.000 0.441 816 R N 0.719 121.255 120.500 0.059 0.000 2.189 816 R HA -0.165 4.175 4.340 0.001 0.000 0.223 816 R C 2.164 178.468 176.300 0.006 0.000 1.092 816 R CA 1.482 57.595 56.100 0.021 0.000 0.989 816 R CB -0.051 30.255 30.300 0.010 0.000 0.876 816 R HN 0.352 nan 8.270 nan 0.000 0.457 817 K N -0.488 119.927 120.400 0.026 0.000 1.995 817 K HA -0.184 4.137 4.320 0.001 0.000 0.207 817 K C 1.659 178.252 176.600 -0.012 0.000 1.041 817 K CA 1.344 57.629 56.287 -0.004 0.000 0.942 817 K CB -0.443 32.057 32.500 0.000 0.000 0.731 817 K HN 0.206 nan 8.250 nan 0.000 0.439 818 W N 1.831 123.041 121.300 -0.149 0.000 2.389 818 W HA -0.152 4.509 4.660 0.001 0.000 0.267 818 W C 1.193 177.604 176.519 -0.179 0.000 1.219 818 W CA 1.080 58.309 57.345 -0.194 0.000 1.189 818 W CB -0.060 29.331 29.460 -0.116 0.000 1.129 818 W HN 0.147 nan 8.180 nan 0.000 0.581 819 L N -0.139 120.974 121.223 -0.182 0.000 2.102 819 L HA -0.133 4.208 4.340 0.001 0.000 0.202 819 L C 2.475 179.203 176.870 -0.237 0.000 1.076 819 L CA 1.418 56.085 54.840 -0.289 0.000 0.761 819 L CB -1.007 40.972 42.059 -0.133 0.000 0.921 819 L HN -0.030 nan 8.230 nan 0.000 0.444 820 V N -3.265 116.562 119.914 -0.144 0.000 2.871 820 V HA -0.143 3.978 4.120 0.001 0.000 0.256 820 V C 2.084 178.129 176.094 -0.081 0.000 1.082 820 V CA 0.951 63.205 62.300 -0.076 0.000 1.105 820 V CB -0.446 31.366 31.823 -0.017 0.000 0.713 820 V HN 0.318 nan 8.190 nan 0.000 0.473 821 L N -0.343 120.727 121.223 -0.255 0.000 2.217 821 L HA 0.059 4.399 4.340 0.001 0.000 0.211 821 L C 2.909 179.440 176.870 -0.565 0.000 1.107 821 L CA 1.239 55.801 54.840 -0.463 0.000 0.783 821 L CB -0.251 41.325 42.059 -0.806 0.000 0.919 821 L HN 0.270 nan 8.230 nan 0.000 0.442 822 R N -0.392 119.811 120.500 -0.496 0.000 2.275 822 R HA 0.025 4.366 4.340 0.001 0.000 0.199 822 R C 0.527 176.797 176.300 -0.050 0.000 0.989 822 R CA 0.248 56.157 56.100 -0.318 0.000 1.016 822 R CB 0.104 30.168 30.300 -0.392 0.000 0.918 822 R HN 0.318 nan 8.270 nan 0.000 0.473 823 N N -0.061 118.623 118.700 -0.026 0.000 2.380 823 N HA -0.028 4.712 4.740 0.001 0.000 0.255 823 N C -1.153 174.441 175.510 0.139 0.000 1.158 823 N CA 0.109 53.182 53.050 0.038 0.000 0.878 823 N CB 0.415 38.896 38.487 -0.010 0.000 1.138 823 N HN 0.238 nan 8.380 nan 0.000 0.509 824 W N 2.972 124.291 121.300 0.032 0.000 2.394 824 W HA 0.198 4.859 4.660 0.001 0.000 0.312 824 W C 1.073 177.724 176.519 0.219 0.000 0.981 824 W CA -0.507 56.906 57.345 0.113 0.000 1.519 824 W CB 0.513 30.047 29.460 0.123 0.000 1.304 824 W HN 0.143 nan 8.180 nan 0.000 0.412 825 Q N 3.400 123.309 119.800 0.182 0.000 2.191 825 Q HA -0.338 4.003 4.340 0.001 0.000 0.219 825 Q C 1.908 178.124 176.000 0.361 0.000 1.044 825 Q CA 2.937 58.853 55.803 0.189 0.000 0.933 825 Q CB -0.928 27.849 28.738 0.066 0.000 1.049 825 Q HN 0.776 nan 8.270 nan 0.000 0.424 826 W N 0.010 121.521 121.300 0.352 0.000 2.315 826 W HA -0.256 4.404 4.660 0.001 0.000 0.323 826 W C 2.098 178.885 176.519 0.448 0.000 1.233 826 W CA 1.719 59.327 57.345 0.437 0.000 1.267 826 W CB -1.185 28.657 29.460 0.637 0.000 1.160 826 W HN 0.492 nan 8.180 nan 0.000 0.474 827 W N 2.126 123.849 121.300 0.706 0.000 2.358 827 W HA -0.243 4.418 4.660 0.001 0.000 0.303 827 W C 2.432 179.144 176.519 0.322 0.000 1.208 827 W CA 2.374 59.979 57.345 0.432 0.000 1.274 827 W CB -0.646 28.989 29.460 0.292 0.000 1.138 827 W HN -0.021 nan 8.180 nan 0.000 0.515 828 K N 0.422 121.148 120.400 0.544 0.000 1.987 828 K HA -0.247 4.074 4.320 0.001 0.000 0.216 828 K C 2.370 179.079 176.600 0.182 0.000 1.051 828 K CA 2.352 58.837 56.287 0.330 0.000 0.942 828 K CB -0.912 31.728 32.500 0.233 0.000 0.722 828 K HN 0.116 nan 8.250 nan 0.000 0.444 829 L N 0.186 121.486 121.223 0.128 0.000 2.081 829 L HA -0.245 4.096 4.340 0.001 0.000 0.212 829 L C 2.503 179.348 176.870 -0.042 0.000 1.080 829 L CA 1.574 56.419 54.840 0.010 0.000 0.754 829 L CB -0.524 41.505 42.059 -0.050 0.000 0.893 829 L HN 0.393 nan 8.230 nan 0.000 0.433 830 Y N 1.031 121.245 120.300 -0.144 0.000 2.049 830 Y HA -0.375 4.176 4.550 0.001 0.000 0.277 830 Y C 3.017 178.803 175.900 -0.190 0.000 1.143 830 Y CA 2.099 60.069 58.100 -0.216 0.000 1.115 830 Y CB -0.542 37.764 38.460 -0.256 0.000 0.975 830 Y HN 0.311 nan 8.280 nan 0.000 0.487 831 S N 0.080 115.745 115.700 -0.058 0.000 2.400 831 S HA -0.383 4.088 4.470 0.001 0.000 0.234 831 S C 2.103 176.627 174.600 -0.126 0.000 1.049 831 S CA 1.877 60.026 58.200 -0.086 0.000 1.039 831 S CB -0.832 62.420 63.200 0.088 0.000 0.856 831 S HN 0.606 nan 8.310 nan 0.000 0.465 832 K N 1.286 121.634 120.400 -0.088 0.000 1.991 832 K HA -0.132 4.189 4.320 0.001 0.000 0.212 832 K C 2.322 178.834 176.600 -0.148 0.000 1.049 832 K CA 2.072 58.309 56.287 -0.084 0.000 0.932 832 K CB -0.716 31.751 32.500 -0.055 0.000 0.717 832 K HN 0.468 nan 8.250 nan 0.000 0.441 833 V N -0.458 119.323 119.914 -0.222 0.000 2.282 833 V HA -0.318 3.803 4.120 0.001 0.000 0.249 833 V C 2.143 178.078 176.094 -0.265 0.000 1.057 833 V CA 2.360 64.514 62.300 -0.243 0.000 1.032 833 V CB -1.165 30.474 31.823 -0.308 0.000 0.645 833 V HN 0.565 nan 8.190 nan 0.000 0.447 834 K N 1.078 121.243 120.400 -0.392 0.000 2.298 834 K HA -0.267 4.053 4.320 0.001 0.000 0.206 834 K C -0.863 175.628 176.600 -0.182 0.000 0.807 834 K CA 2.776 58.872 56.287 -0.319 0.000 1.023 834 K CB -2.391 29.980 32.500 -0.216 0.000 1.086 834 K HN 0.690 nan 8.250 nan 0.000 0.566 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.050 63.100 -0.084 0.000 0.800 835 P CB 0.000 31.663 31.700 -0.062 0.000 0.726