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 2hwg_1_A DATA FIRST_RESID 2 DATA SEQUENCE ISGILASPGI AFGKALLLKE DEIVIDRKKI SADQVDQEVE RFLSGRAKAS DATA SEQUENCE AQLETIKTKA GETFGEEKEA IFEGHIXLLE DEELEQEIIA LIKDKHXTAD DATA SEQUENCE AAAHEVIEGQ ASALEELDDE YLKERAADVR DIGKRLLRNI LGLKIIDLSA DATA SEQUENCE IQDEVILVAA DLTPSETAQL NLKKVLGFIT DAGGRTSXTS IXARSLELPA DATA SEQUENCE IVGTGSVTSQ VKNDDYLILD AVNNQVYVNP TNEVIDKXRA VQEQVASEKA DATA SEQUENCE ELAKLKDLPA ITLDGHQVEV CANIGTVRDV EGAERNGAEG VGLYRTEFLF DATA SEQUENCE XDRDALPTEE EQFAAYKAVA EACGSQAVIV RTXDIGGDKE LPYXNFPKEE DATA SEQUENCE NPFLGWRAIR IAXDRREILR DQLRAILRAS AFGKLRIXFP XIISVEEVRA DATA SEQUENCE LRKEIEIYKQ ELRDEGKAFD ESIEIGVXVE TPAAATIARH LAKEVDFFSI DATA SEQUENCE GTNDLTQYTL AVDRGNDXIS HLYQPXSPSV LNLIKQVIDA SHAEGKWTGX DATA SEQUENCE CGELAGDERA TLLLLGXGLD EFSXSAISIP RIKKIIRNTN FEDAKVLAEQ DATA SEQUENCE ALAQPTTDEL XTLVNKFIEE KT 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.037 176.117 -0.133 0.000 1.063 2 I CA 0.000 61.229 61.300 -0.118 0.000 1.566 2 I CB 0.000 37.946 38.000 -0.091 0.000 1.214 3 S N 2.985 118.629 115.700 -0.093 0.000 2.634 3 S HA 1.011 5.422 4.470 -0.099 0.000 0.296 3 S C -0.268 174.300 174.600 -0.054 0.000 1.104 3 S CA -0.016 58.134 58.200 -0.083 0.000 0.920 3 S CB 2.796 65.950 63.200 -0.076 0.000 1.111 3 S HN 0.987 nan 8.310 nan 0.000 0.493 4 G N 0.237 109.007 108.800 -0.049 0.000 3.508 4 G HA2 0.556 4.457 3.960 -0.099 0.000 0.172 4 G HA3 0.556 4.457 3.960 -0.099 0.000 0.172 4 G C -1.490 173.396 174.900 -0.024 0.000 1.231 4 G CA -0.646 44.436 45.100 -0.029 0.000 1.218 4 G HN 0.725 nan 8.290 nan 0.000 0.709 5 I N 2.337 122.893 120.570 -0.023 0.000 2.418 5 I HA 0.372 4.482 4.170 -0.099 0.000 0.287 5 I C 0.009 176.104 176.117 -0.036 0.000 1.008 5 I CA -0.741 60.548 61.300 -0.019 0.000 1.104 5 I CB 2.011 40.006 38.000 -0.009 0.000 1.264 5 I HN 0.483 nan 8.210 nan 0.000 0.438 6 L N 3.536 124.736 121.223 -0.037 0.000 2.426 6 L HA 0.721 5.002 4.340 -0.099 0.000 0.271 6 L C 0.440 177.281 176.870 -0.048 0.000 1.169 6 L CA -0.021 54.787 54.840 -0.054 0.000 0.836 6 L CB 0.966 43.000 42.059 -0.042 0.000 1.112 6 L HN 0.761 nan 8.230 nan 0.000 0.465 7 A N 2.355 125.129 122.820 -0.077 0.000 1.853 7 A HA 0.264 4.525 4.320 -0.099 0.000 0.204 7 A C 0.924 178.471 177.584 -0.061 0.000 1.724 7 A CA 0.351 52.351 52.037 -0.062 0.000 1.105 7 A CB 0.376 19.326 19.000 -0.084 0.000 1.101 7 A HN 0.686 nan 8.150 nan 0.000 0.495 8 S N 1.739 117.371 115.700 -0.113 0.000 2.561 8 S HA 0.620 5.030 4.470 -0.099 0.000 0.303 8 S C -3.076 171.474 174.600 -0.084 0.000 1.110 8 S CA -1.840 56.308 58.200 -0.088 0.000 1.034 8 S CB 1.718 64.843 63.200 -0.124 0.000 1.010 8 S HN 0.196 nan 8.310 nan 0.000 0.482 9 P HA 0.544 nan 4.420 nan 0.000 0.272 9 P C 0.216 177.498 177.300 -0.030 0.000 1.230 9 P CA 0.282 63.363 63.100 -0.032 0.000 0.788 9 P CB 0.705 32.399 31.700 -0.009 0.000 0.949 10 G N 0.367 109.154 108.800 -0.022 0.000 2.351 10 G HA2 0.290 4.191 3.960 -0.099 0.000 0.353 10 G HA3 0.290 4.191 3.960 -0.099 0.000 0.353 10 G C -2.036 172.857 174.900 -0.013 0.000 1.358 10 G CA -0.775 44.321 45.100 -0.007 0.000 0.995 10 G HN 0.452 nan 8.290 nan 0.000 0.611 11 I N 0.624 121.204 120.570 0.015 0.000 2.534 11 I HA 0.683 4.794 4.170 -0.099 0.000 0.288 11 I C 0.329 176.462 176.117 0.027 0.000 1.077 11 I CA -0.661 60.632 61.300 -0.011 0.000 1.051 11 I CB 2.079 40.107 38.000 0.046 0.000 1.234 11 I HN 1.068 nan 8.210 nan 0.000 0.425 12 A N 5.909 128.677 122.820 -0.087 0.000 2.380 12 A HA 0.911 5.172 4.320 -0.099 0.000 0.315 12 A C -1.454 176.025 177.584 -0.176 0.000 1.101 12 A CA -0.386 51.650 52.037 -0.002 0.000 0.771 12 A CB 0.991 19.976 19.000 -0.025 0.000 1.287 12 A HN 0.527 nan 8.150 nan 0.000 0.436 13 F N 0.608 120.527 119.950 -0.052 0.000 2.518 13 F HA 0.691 5.159 4.527 -0.100 0.000 0.323 13 F C 0.728 176.395 175.800 -0.223 0.000 1.129 13 F CA 0.313 58.242 58.000 -0.119 0.000 0.920 13 F CB 2.830 41.877 39.000 0.079 0.000 1.160 13 F HN 1.004 nan 8.300 nan 0.000 0.440 14 G N 2.245 110.779 108.800 -0.444 0.000 2.328 14 G HA2 0.366 4.266 3.960 -0.099 0.000 0.295 14 G HA3 0.366 4.266 3.960 -0.099 0.000 0.295 14 G C -2.108 172.545 174.900 -0.413 0.000 1.413 14 G CA -1.298 43.614 45.100 -0.313 0.000 0.817 14 G HN 0.406 nan 8.290 nan 0.000 0.546 15 K N 0.363 120.690 120.400 -0.122 0.000 2.249 15 K HA 0.650 4.911 4.320 -0.099 0.000 0.280 15 K C 0.493 177.067 176.600 -0.044 0.000 1.033 15 K CA 0.035 56.296 56.287 -0.044 0.000 0.946 15 K CB 1.735 34.270 32.500 0.059 0.000 1.005 15 K HN 0.817 nan 8.250 nan 0.000 0.469 16 A N 2.743 125.544 122.820 -0.032 0.000 2.540 16 A HA 0.135 4.396 4.320 -0.099 0.000 0.239 16 A C -0.586 176.999 177.584 0.002 0.000 1.061 16 A CA -0.198 51.830 52.037 -0.016 0.000 0.758 16 A CB -0.064 18.932 19.000 -0.006 0.000 0.991 16 A HN 0.531 nan 8.150 nan 0.000 0.502 17 L N 4.353 125.578 121.223 0.004 0.000 2.316 17 L HA 0.407 4.688 4.340 -0.099 0.000 0.280 17 L C -0.708 176.165 176.870 0.006 0.000 1.006 17 L CA -0.592 54.252 54.840 0.006 0.000 0.836 17 L CB 1.132 43.194 42.059 0.006 0.000 1.221 17 L HN 0.595 nan 8.230 nan 0.000 0.418 18 L N 5.144 126.369 121.223 0.005 0.000 2.349 18 L HA 0.255 4.535 4.340 -0.099 0.000 0.275 18 L C -0.365 176.503 176.870 -0.003 0.000 1.115 18 L CA -0.395 54.447 54.840 0.003 0.000 0.820 18 L CB 1.422 43.484 42.059 0.004 0.000 1.135 18 L HN 0.539 nan 8.230 nan 0.000 0.445 19 L N 5.324 126.543 121.223 -0.007 0.000 2.262 19 L HA 0.253 4.533 4.340 -0.099 0.000 0.288 19 L C 0.207 177.070 176.870 -0.011 0.000 1.035 19 L CA -0.279 54.552 54.840 -0.015 0.000 0.820 19 L CB 0.623 42.664 42.059 -0.029 0.000 1.204 19 L HN 0.345 nan 8.230 nan 0.000 0.424 20 K N 3.696 124.091 120.400 -0.009 0.000 2.378 20 K HA 0.058 4.319 4.320 -0.099 0.000 0.288 20 K C 0.839 177.434 176.600 -0.008 0.000 1.057 20 K CA -0.105 56.178 56.287 -0.006 0.000 0.971 20 K CB 0.741 33.239 32.500 -0.005 0.000 0.975 20 K HN 0.472 nan 8.250 nan 0.000 0.475 21 E N 0.551 120.747 120.200 -0.007 0.000 2.333 21 E HA -0.118 4.173 4.350 -0.099 0.000 0.198 21 E C -0.199 176.398 176.600 -0.006 0.000 1.007 21 E CA 0.471 56.867 56.400 -0.007 0.000 0.845 21 E CB -0.134 29.564 29.700 -0.005 0.000 0.766 21 E HN 0.402 nan 8.360 nan 0.000 0.507 22 D N 2.339 122.736 120.400 -0.004 0.000 3.167 22 D HA -0.094 4.487 4.640 -0.099 0.000 0.232 22 D C -0.258 176.040 176.300 -0.004 0.000 1.231 22 D CA 0.866 54.864 54.000 -0.004 0.000 0.845 22 D CB 0.202 41.001 40.800 -0.002 0.000 1.157 22 D HN 0.057 nan 8.370 nan 0.000 0.576 23 E N 2.064 122.261 120.200 -0.006 0.000 2.146 23 E HA 0.250 4.541 4.350 -0.099 0.000 0.282 23 E C -0.118 176.476 176.600 -0.011 0.000 0.989 23 E CA -0.803 55.592 56.400 -0.007 0.000 0.799 23 E CB 0.616 30.311 29.700 -0.008 0.000 1.088 23 E HN 0.280 nan 8.360 nan 0.000 0.397 24 I N 3.465 124.029 120.570 -0.011 0.000 2.919 24 I HA -0.102 4.008 4.170 -0.099 0.000 0.299 24 I C -0.206 175.891 176.117 -0.033 0.000 1.221 24 I CA 0.392 61.682 61.300 -0.016 0.000 1.424 24 I CB -0.141 37.853 38.000 -0.010 0.000 1.358 24 I HN 0.108 nan 8.210 nan 0.000 0.551 25 V N 7.496 127.391 119.914 -0.032 0.000 2.448 25 V HA 0.392 4.452 4.120 -0.099 0.000 0.295 25 V C 0.272 176.337 176.094 -0.049 0.000 1.025 25 V CA -0.711 61.563 62.300 -0.043 0.000 0.859 25 V CB 1.646 33.452 31.823 -0.029 0.000 0.988 25 V HN 0.401 nan 8.190 nan 0.000 0.431 26 I N 3.179 123.701 120.570 -0.080 0.000 2.428 26 I HA 0.273 4.384 4.170 -0.099 0.000 0.289 26 I C 0.163 176.251 176.117 -0.047 0.000 1.019 26 I CA -0.021 61.232 61.300 -0.079 0.000 1.351 26 I CB 1.353 39.255 38.000 -0.162 0.000 1.412 26 I HN 0.629 nan 8.210 nan 0.000 0.513 27 D N 6.457 126.843 120.400 -0.024 0.000 2.441 27 D HA 0.177 4.758 4.640 -0.099 0.000 0.221 27 D C 1.137 177.433 176.300 -0.007 0.000 1.156 27 D CA -0.212 53.780 54.000 -0.013 0.000 0.896 27 D CB 0.640 41.437 40.800 -0.006 0.000 1.028 27 D HN 0.346 nan 8.370 nan 0.000 0.509 28 R N 2.480 122.975 120.500 -0.009 0.000 2.161 28 R HA 0.036 4.317 4.340 -0.099 0.000 0.213 28 R C 0.432 176.737 176.300 0.009 0.000 1.055 28 R CA 0.231 56.332 56.100 0.001 0.000 0.996 28 R CB 0.176 30.474 30.300 -0.003 0.000 0.901 28 R HN 0.292 nan 8.270 nan 0.000 0.456 29 K N 2.521 122.925 120.400 0.007 0.000 2.472 29 K HA -0.003 4.257 4.320 -0.099 0.000 0.280 29 K C 0.125 176.737 176.600 0.020 0.000 1.028 29 K CA 0.357 56.651 56.287 0.012 0.000 1.045 29 K CB 0.417 32.922 32.500 0.008 0.000 0.902 29 K HN -0.134 nan 8.250 nan 0.000 0.478 30 K N 3.403 123.822 120.400 0.033 0.000 2.524 30 K HA -0.033 4.227 4.320 -0.099 0.000 0.279 30 K C 0.791 177.417 176.600 0.042 0.000 0.993 30 K CA 0.239 56.560 56.287 0.057 0.000 1.030 30 K CB 0.091 32.641 32.500 0.083 0.000 0.891 30 K HN 0.580 nan 8.250 nan 0.000 0.488 31 I N -1.957 118.625 120.570 0.019 0.000 2.886 31 I HA 0.196 4.306 4.170 -0.099 0.000 0.299 31 I C 0.660 176.753 176.117 -0.041 0.000 1.044 31 I CA -0.489 60.787 61.300 -0.041 0.000 1.310 31 I CB 1.310 39.246 38.000 -0.106 0.000 1.441 31 I HN 0.277 nan 8.210 nan 0.000 0.578 32 S N 1.603 117.273 115.700 -0.051 0.000 2.645 32 S HA 0.537 4.948 4.470 -0.099 0.000 0.266 32 S C 1.099 175.635 174.600 -0.108 0.000 1.258 32 S CA -0.061 58.130 58.200 -0.015 0.000 0.990 32 S CB 1.393 64.593 63.200 0.001 0.000 0.967 32 S HN 0.822 nan 8.310 nan 0.000 0.556 33 A N 1.721 124.551 122.820 0.017 0.000 2.014 33 A HA -0.044 4.217 4.320 -0.099 0.000 0.218 33 A C 1.602 179.171 177.584 -0.024 0.000 1.163 33 A CA 1.480 53.537 52.037 0.034 0.000 0.652 33 A CB -0.583 18.536 19.000 0.197 0.000 0.808 33 A HN 0.903 nan 8.150 nan 0.000 0.449 34 D N 0.312 120.701 120.400 -0.018 0.000 2.117 34 D HA -0.198 4.382 4.640 -0.099 0.000 0.198 34 D C 1.441 177.718 176.300 -0.039 0.000 0.982 34 D CA 1.242 55.232 54.000 -0.018 0.000 0.828 34 D CB -0.720 40.075 40.800 -0.008 0.000 0.967 34 D HN 0.619 nan 8.370 nan 0.000 0.464 35 Q N 0.804 120.569 119.800 -0.059 0.000 2.585 35 Q HA -0.070 4.211 4.340 -0.099 0.000 0.219 35 Q C 2.112 178.062 176.000 -0.082 0.000 0.984 35 Q CA 0.073 55.836 55.803 -0.066 0.000 0.915 35 Q CB -0.022 28.673 28.738 -0.073 0.000 0.967 35 Q HN 0.197 nan 8.270 nan 0.000 0.530 36 V N 0.996 120.852 119.914 -0.096 0.000 2.256 36 V HA -0.225 3.836 4.120 -0.099 0.000 0.240 36 V C 1.477 177.556 176.094 -0.025 0.000 1.036 36 V CA 1.977 64.225 62.300 -0.087 0.000 1.008 36 V CB -0.294 31.476 31.823 -0.087 0.000 0.648 36 V HN 0.344 nan 8.190 nan 0.000 0.453 37 D N -0.478 119.917 120.400 -0.009 0.000 2.133 37 D HA -0.205 4.375 4.640 -0.099 0.000 0.195 37 D C 2.214 178.522 176.300 0.013 0.000 0.997 37 D CA 1.173 55.178 54.000 0.009 0.000 0.840 37 D CB -0.365 40.440 40.800 0.008 0.000 0.947 37 D HN 0.423 nan 8.370 nan 0.000 0.452 38 Q N 0.357 120.158 119.800 0.002 0.000 1.967 38 Q HA -0.184 4.097 4.340 -0.099 0.000 0.210 38 Q C 2.105 178.117 176.000 0.019 0.000 1.005 38 Q CA 1.252 57.058 55.803 0.005 0.000 0.862 38 Q CB -0.215 28.520 28.738 -0.005 0.000 0.939 38 Q HN 0.445 nan 8.270 nan 0.000 0.417 39 E N 0.044 120.252 120.200 0.014 0.000 2.110 39 E HA -0.126 4.165 4.350 -0.099 0.000 0.193 39 E C 2.257 178.911 176.600 0.091 0.000 0.988 39 E CA 0.887 57.309 56.400 0.037 0.000 0.804 39 E CB -0.229 29.476 29.700 0.008 0.000 0.745 39 E HN 0.169 nan 8.360 nan 0.000 0.458 40 V N 2.032 121.995 119.914 0.082 0.000 2.252 40 V HA -0.258 3.803 4.120 -0.099 0.000 0.249 40 V C 2.541 178.737 176.094 0.170 0.000 1.056 40 V CA 2.093 64.481 62.300 0.147 0.000 1.022 40 V CB -0.510 31.371 31.823 0.097 0.000 0.641 40 V HN 0.262 nan 8.190 nan 0.000 0.445 41 E N 0.280 120.529 120.200 0.083 0.000 2.072 41 E HA -0.229 4.061 4.350 -0.099 0.000 0.191 41 E C 2.465 179.077 176.600 0.021 0.000 0.985 41 E CA 1.219 57.641 56.400 0.037 0.000 0.801 41 E CB -0.127 29.584 29.700 0.018 0.000 0.750 41 E HN 0.465 nan 8.360 nan 0.000 0.452 42 R N -0.337 120.190 120.500 0.045 0.000 2.113 42 R HA -0.218 4.062 4.340 -0.099 0.000 0.244 42 R C 2.489 178.832 176.300 0.072 0.000 1.142 42 R CA 2.147 58.275 56.100 0.046 0.000 0.953 42 R CB -0.617 29.717 30.300 0.056 0.000 0.860 42 R HN 0.231 nan 8.270 nan 0.000 0.438 43 F N 1.081 121.031 119.950 0.000 0.000 2.069 43 F HA -0.195 4.271 4.527 -0.100 0.000 0.298 43 F C 1.806 177.609 175.800 0.005 0.000 1.113 43 F CA 1.605 59.607 58.000 0.004 0.000 1.214 43 F CB -0.645 38.358 39.000 0.005 0.000 0.978 43 F HN -0.017 nan 8.300 nan 0.000 0.474 44 L N 0.453 121.343 121.223 -0.554 0.000 2.079 44 L HA -0.224 4.056 4.340 -0.099 0.000 0.210 44 L C 2.823 179.463 176.870 -0.384 0.000 1.081 44 L CA 1.629 56.068 54.840 -0.668 0.000 0.752 44 L CB -0.936 40.950 42.059 -0.288 0.000 0.896 44 L HN 0.487 nan 8.230 nan 0.000 0.433 45 S N -0.515 115.057 115.700 -0.214 0.000 2.371 45 S HA -0.039 4.371 4.470 -0.099 0.000 0.221 45 S C 2.176 176.707 174.600 -0.116 0.000 1.036 45 S CA 0.591 58.713 58.200 -0.130 0.000 0.965 45 S CB -0.845 62.312 63.200 -0.071 0.000 0.845 45 S HN 0.357 nan 8.310 nan 0.000 0.475 46 G N 2.639 111.381 108.800 -0.096 0.000 2.547 46 G HA2 -0.318 3.583 3.960 -0.099 0.000 0.221 46 G HA3 -0.318 3.583 3.960 -0.099 0.000 0.221 46 G C 1.656 176.507 174.900 -0.082 0.000 1.140 46 G CA 1.046 46.114 45.100 -0.055 0.000 0.760 46 G HN 0.507 nan 8.290 nan 0.000 0.583 47 R N 0.862 121.248 120.500 -0.190 0.000 2.062 47 R HA 0.070 4.351 4.340 -0.099 0.000 0.229 47 R C 2.927 179.147 176.300 -0.134 0.000 1.128 47 R CA 1.495 57.482 56.100 -0.189 0.000 0.960 47 R CB -0.696 29.359 30.300 -0.408 0.000 0.855 47 R HN 0.273 nan 8.270 nan 0.000 0.432 48 A N 1.807 124.537 122.820 -0.152 0.000 1.892 48 A HA -0.229 4.032 4.320 -0.099 0.000 0.218 48 A C 2.198 179.746 177.584 -0.061 0.000 1.188 48 A CA 1.889 53.868 52.037 -0.096 0.000 0.631 48 A CB -0.518 18.427 19.000 -0.092 0.000 0.822 48 A HN 0.367 nan 8.150 nan 0.000 0.447 49 K N -0.755 119.611 120.400 -0.057 0.000 2.020 49 K HA -0.163 4.098 4.320 -0.099 0.000 0.212 49 K C 2.395 178.979 176.600 -0.026 0.000 1.050 49 K CA 1.306 57.571 56.287 -0.036 0.000 0.929 49 K CB -0.396 32.086 32.500 -0.029 0.000 0.714 49 K HN 0.470 nan 8.250 nan 0.000 0.443 50 A N 0.715 123.521 122.820 -0.024 0.000 1.865 50 A HA -0.237 4.023 4.320 -0.099 0.000 0.217 50 A C 2.221 179.804 177.584 -0.002 0.000 1.191 50 A CA 2.303 54.337 52.037 -0.006 0.000 0.623 50 A CB -0.958 18.045 19.000 0.005 0.000 0.826 50 A HN 0.332 nan 8.150 nan 0.000 0.444 51 S N -0.703 114.990 115.700 -0.011 0.000 2.370 51 S HA -0.106 4.304 4.470 -0.099 0.000 0.226 51 S C 2.174 176.769 174.600 -0.009 0.000 1.033 51 S CA 1.768 59.966 58.200 -0.003 0.000 1.011 51 S CB -0.545 62.645 63.200 -0.017 0.000 0.852 51 S HN 0.851 nan 8.310 nan 0.000 0.457 52 A N 2.231 125.039 122.820 -0.020 0.000 1.835 52 A HA -0.190 4.070 4.320 -0.099 0.000 0.215 52 A C 2.173 179.741 177.584 -0.027 0.000 1.199 52 A CA 1.837 53.860 52.037 -0.023 0.000 0.615 52 A CB -1.069 17.916 19.000 -0.025 0.000 0.838 52 A HN 0.824 nan 8.150 nan 0.000 0.444 53 Q N -0.231 119.553 119.800 -0.027 0.000 2.234 53 Q HA -0.110 4.171 4.340 -0.099 0.000 0.206 53 Q C 1.937 177.903 176.000 -0.058 0.000 0.980 53 Q CA 1.590 57.371 55.803 -0.037 0.000 0.869 53 Q CB -0.546 28.175 28.738 -0.028 0.000 0.912 53 Q HN 0.636 nan 8.270 nan 0.000 0.436 54 L N 0.555 121.753 121.223 -0.043 0.000 2.291 54 L HA -0.074 4.206 4.340 -0.099 0.000 0.214 54 L C 2.427 179.245 176.870 -0.087 0.000 1.120 54 L CA 0.581 55.381 54.840 -0.067 0.000 0.799 54 L CB -0.192 41.883 42.059 0.026 0.000 0.925 54 L HN 0.164 nan 8.230 nan 0.000 0.446 55 E N -0.140 120.031 120.200 -0.048 0.000 2.106 55 E HA -0.180 4.111 4.350 -0.099 0.000 0.192 55 E C 2.265 178.829 176.600 -0.059 0.000 0.984 55 E CA 1.836 58.214 56.400 -0.037 0.000 0.806 55 E CB -0.152 29.536 29.700 -0.020 0.000 0.750 55 E HN 0.532 nan 8.360 nan 0.000 0.458 56 T N -0.972 113.537 114.554 -0.074 0.000 2.812 56 T HA -0.042 4.248 4.350 -0.099 0.000 0.264 56 T C 2.186 176.811 174.700 -0.125 0.000 1.042 56 T CA 0.814 62.867 62.100 -0.079 0.000 1.140 56 T CB -0.415 68.412 68.868 -0.068 0.000 0.870 56 T HN 0.051 nan 8.240 nan 0.000 0.445 57 I N 1.196 121.645 120.570 -0.202 0.000 2.208 57 I HA -0.119 3.991 4.170 -0.099 0.000 0.245 57 I C 2.947 178.796 176.117 -0.446 0.000 1.097 57 I CA 1.503 62.583 61.300 -0.368 0.000 1.363 57 I CB -0.350 37.339 38.000 -0.518 0.000 1.051 57 I HN 0.277 nan 8.210 nan 0.000 0.413 58 K N 0.580 120.792 120.400 -0.315 0.000 2.097 58 K HA -0.182 4.078 4.320 -0.099 0.000 0.205 58 K C 2.112 178.716 176.600 0.007 0.000 1.050 58 K CA 2.017 58.261 56.287 -0.072 0.000 0.938 58 K CB -0.053 32.472 32.500 0.042 0.000 0.718 58 K HN 0.462 nan 8.250 nan 0.000 0.442 59 T N -1.782 112.754 114.554 -0.030 0.000 2.978 59 T HA -0.009 4.282 4.350 -0.099 0.000 0.262 59 T C 1.780 176.472 174.700 -0.013 0.000 1.063 59 T CA 0.661 62.756 62.100 -0.009 0.000 1.140 59 T CB -0.012 68.847 68.868 -0.015 0.000 0.886 59 T HN 0.145 nan 8.240 nan 0.000 0.470 60 K N 1.059 121.435 120.400 -0.040 0.000 2.442 60 K HA 0.203 4.463 4.320 -0.099 0.000 0.198 60 K C 2.148 178.751 176.600 0.006 0.000 1.042 60 K CA 0.710 56.975 56.287 -0.037 0.000 0.958 60 K CB -0.285 32.179 32.500 -0.061 0.000 0.766 60 K HN 0.488 nan 8.250 nan 0.000 0.474 61 A N -0.153 122.707 122.820 0.068 0.000 1.956 61 A HA 0.116 4.376 4.320 -0.099 0.000 0.212 61 A C 2.034 179.720 177.584 0.170 0.000 1.188 61 A CA 0.856 53.019 52.037 0.210 0.000 0.675 61 A CB -0.270 18.944 19.000 0.357 0.000 0.845 61 A HN 0.371 nan 8.150 nan 0.000 0.455 62 G N -0.955 107.906 108.800 0.101 0.000 2.848 62 G HA2 0.113 4.014 3.960 -0.099 0.000 0.208 62 G HA3 0.113 4.014 3.960 -0.099 0.000 0.208 62 G C 1.124 176.043 174.900 0.032 0.000 1.152 62 G CA 0.582 45.723 45.100 0.069 0.000 0.789 62 G HN 0.359 nan 8.290 nan 0.000 0.531 63 E N -0.140 120.065 120.200 0.008 0.000 2.192 63 E HA 0.012 4.302 4.350 -0.099 0.000 0.196 63 E C 2.566 179.108 176.600 -0.097 0.000 0.922 63 E CA 0.857 57.235 56.400 -0.037 0.000 0.924 63 E CB -0.381 29.292 29.700 -0.045 0.000 0.911 63 E HN 0.214 nan 8.360 nan 0.000 0.478 64 T N 0.350 114.800 114.554 -0.174 0.000 3.035 64 T HA 0.039 4.329 4.350 -0.099 0.000 0.268 64 T C 1.040 175.323 174.700 -0.694 0.000 1.109 64 T CA 0.919 62.752 62.100 -0.444 0.000 1.119 64 T CB 0.022 68.567 68.868 -0.537 0.000 0.900 64 T HN -0.011 nan 8.240 nan 0.000 0.503 65 F N 0.124 120.079 119.950 0.009 0.000 2.455 65 F HA 0.523 5.008 4.527 -0.071 0.000 0.278 65 F C 1.384 177.179 175.800 -0.008 0.000 0.887 65 F CA 0.243 58.242 58.000 -0.001 0.000 1.104 65 F CB 0.320 39.321 39.000 0.001 0.000 0.949 65 F HN 0.318 nan 8.300 nan 0.000 0.750 66 G N 0.180 109.088 108.800 0.181 0.000 2.353 66 G HA2 -0.078 3.823 3.960 -0.099 0.000 0.424 66 G HA3 -0.078 3.823 3.960 -0.099 0.000 0.424 66 G C 0.092 175.039 174.900 0.078 0.000 1.320 66 G CA -0.183 44.975 45.100 0.096 0.000 0.995 66 G HN 0.075 nan 8.290 nan 0.000 0.580 67 E N -0.485 119.741 120.200 0.043 0.000 2.209 67 E HA -0.165 4.126 4.350 -0.099 0.000 0.196 67 E C 1.891 178.497 176.600 0.010 0.000 0.993 67 E CA 1.604 58.021 56.400 0.028 0.000 0.819 67 E CB 0.017 29.727 29.700 0.016 0.000 0.745 67 E HN 0.552 nan 8.360 nan 0.000 0.477 68 E N 0.209 120.408 120.200 -0.003 0.000 2.158 68 E HA -0.120 4.171 4.350 -0.099 0.000 0.191 68 E C 1.409 177.959 176.600 -0.083 0.000 0.982 68 E CA 0.577 56.953 56.400 -0.041 0.000 0.823 68 E CB 0.257 29.928 29.700 -0.048 0.000 0.766 68 E HN 0.075 nan 8.360 nan 0.000 0.468 69 K N 0.553 120.919 120.400 -0.057 0.000 2.379 69 K HA -0.024 4.236 4.320 -0.099 0.000 0.194 69 K C 1.854 178.443 176.600 -0.018 0.000 1.031 69 K CA 0.467 56.687 56.287 -0.111 0.000 1.037 69 K CB 0.372 32.811 32.500 -0.103 0.000 0.824 69 K HN 0.312 nan 8.250 nan 0.000 0.516 70 E N 1.507 121.748 120.200 0.068 0.000 2.076 70 E HA -0.063 4.227 4.350 -0.099 0.000 0.190 70 E C 1.876 178.512 176.600 0.060 0.000 0.979 70 E CA 0.801 57.289 56.400 0.147 0.000 0.807 70 E CB -0.023 29.742 29.700 0.109 0.000 0.761 70 E HN 0.103 nan 8.360 nan 0.000 0.454 71 A N 1.638 124.446 122.820 -0.020 0.000 2.024 71 A HA -0.129 4.132 4.320 -0.099 0.000 0.220 71 A C 2.167 179.664 177.584 -0.144 0.000 1.164 71 A CA 1.199 53.206 52.037 -0.049 0.000 0.643 71 A CB -0.692 18.283 19.000 -0.042 0.000 0.806 71 A HN 0.380 nan 8.150 nan 0.000 0.451 72 I N -1.496 118.891 120.570 -0.304 0.000 2.091 72 I HA -0.320 3.790 4.170 -0.099 0.000 0.239 72 I C 2.195 177.872 176.117 -0.733 0.000 1.061 72 I CA 1.862 62.810 61.300 -0.585 0.000 1.317 72 I CB -0.597 36.871 38.000 -0.887 0.000 1.031 72 I HN 0.351 nan 8.210 nan 0.000 0.401 73 F N 0.499 120.226 119.950 -0.371 0.000 2.293 73 F HA -0.133 4.347 4.527 -0.079 0.000 0.300 73 F C 2.526 178.279 175.800 -0.079 0.000 1.086 73 F CA 0.855 58.689 58.000 -0.276 0.000 1.375 73 F CB -0.692 38.227 39.000 -0.135 0.000 1.045 73 F HN 0.059 nan 8.300 nan 0.000 0.516 74 E N 0.841 121.094 120.200 0.088 0.000 2.085 74 E HA -0.157 4.133 4.350 -0.099 0.000 0.194 74 E C 2.519 179.161 176.600 0.070 0.000 0.994 74 E CA 1.412 57.856 56.400 0.073 0.000 0.801 74 E CB -0.816 28.908 29.700 0.040 0.000 0.743 74 E HN 0.352 nan 8.360 nan 0.000 0.453 75 G N -0.421 108.403 108.800 0.040 0.000 2.394 75 G HA2 -0.237 3.663 3.960 -0.099 0.000 0.214 75 G HA3 -0.237 3.663 3.960 -0.099 0.000 0.214 75 G C 1.365 176.374 174.900 0.182 0.000 1.176 75 G CA 0.839 45.989 45.100 0.084 0.000 0.786 75 G HN 0.302 nan 8.290 nan 0.000 0.533 76 H N 0.700 119.788 119.070 0.031 0.000 2.265 76 H HA -0.040 4.458 4.556 -0.097 0.000 0.293 76 H C 1.770 177.141 175.328 0.072 0.000 1.089 76 H CA 0.537 56.622 56.048 0.063 0.000 1.244 76 H CB -0.829 29.016 29.762 0.139 0.000 1.355 76 H HN 0.283 nan 8.280 nan 0.000 0.485 80 L N 1.173 122.434 121.223 0.064 0.000 2.056 80 L HA -0.050 4.231 4.340 -0.099 0.000 0.207 80 L C 1.834 178.749 176.870 0.076 0.000 1.078 80 L CA 2.261 57.143 54.840 0.069 0.000 0.749 80 L CB -0.223 41.876 42.059 0.066 0.000 0.901 80 L HN 0.215 nan 8.230 nan 0.000 0.433 81 E N -0.787 119.451 120.200 0.063 0.000 2.474 81 E HA -0.049 4.242 4.350 -0.099 0.000 0.194 81 E C 0.055 176.695 176.600 0.065 0.000 1.041 81 E CA -0.006 56.427 56.400 0.056 0.000 0.874 81 E CB -0.050 29.672 29.700 0.037 0.000 0.914 81 E HN 0.460 nan 8.360 nan 0.000 0.498 82 D N 1.689 122.128 120.400 0.064 0.000 2.752 82 D HA -0.151 4.429 4.640 -0.099 0.000 0.225 82 D C 0.428 176.770 176.300 0.069 0.000 1.104 82 D CA 0.748 54.783 54.000 0.058 0.000 0.832 82 D CB 0.669 41.499 40.800 0.050 0.000 1.161 82 D HN 0.073 nan 8.370 nan 0.000 0.505 83 E N 2.280 122.514 120.200 0.057 0.000 2.442 83 E HA -0.075 4.216 4.350 -0.099 0.000 0.195 83 E C 1.283 177.912 176.600 0.049 0.000 1.030 83 E CA 0.142 56.580 56.400 0.064 0.000 0.869 83 E CB 0.188 29.919 29.700 0.051 0.000 0.857 83 E HN 0.617 nan 8.360 nan 0.000 0.505 84 E N 0.918 121.140 120.200 0.036 0.000 2.204 84 E HA -0.175 4.115 4.350 -0.099 0.000 0.195 84 E C 2.030 178.637 176.600 0.012 0.000 0.990 84 E CA 0.847 57.259 56.400 0.020 0.000 0.821 84 E CB 0.067 29.776 29.700 0.016 0.000 0.750 84 E HN 0.370 nan 8.360 nan 0.000 0.477 85 L N -1.092 120.147 121.223 0.026 0.000 2.298 85 L HA 0.156 4.437 4.340 -0.099 0.000 0.209 85 L C 2.323 179.192 176.870 -0.002 0.000 1.084 85 L CA 1.048 55.892 54.840 0.007 0.000 0.816 85 L CB -0.447 41.626 42.059 0.022 0.000 0.967 85 L HN 0.023 nan 8.230 nan 0.000 0.460 86 E N 0.266 120.530 120.200 0.105 0.000 2.049 86 E HA -0.312 3.979 4.350 -0.099 0.000 0.198 86 E C 2.053 178.666 176.600 0.021 0.000 1.007 86 E CA 1.920 58.435 56.400 0.192 0.000 0.809 86 E CB -0.153 29.710 29.700 0.272 0.000 0.749 86 E HN 0.548 nan 8.360 nan 0.000 0.450 87 Q N 0.742 120.557 119.800 0.025 0.000 2.030 87 Q HA -0.183 4.097 4.340 -0.099 0.000 0.204 87 Q C 2.102 178.076 176.000 -0.044 0.000 0.986 87 Q CA 1.923 57.726 55.803 0.000 0.000 0.843 87 Q CB -0.435 28.309 28.738 0.011 0.000 0.904 87 Q HN 0.519 nan 8.270 nan 0.000 0.420 88 E N 0.124 120.290 120.200 -0.057 0.000 2.038 88 E HA -0.159 4.132 4.350 -0.099 0.000 0.195 88 E C 2.193 178.712 176.600 -0.135 0.000 1.000 88 E CA 0.968 57.322 56.400 -0.077 0.000 0.803 88 E CB -0.217 29.444 29.700 -0.067 0.000 0.750 88 E HN 0.303 nan 8.360 nan 0.000 0.448 89 I N 0.909 121.337 120.570 -0.237 0.000 2.163 89 I HA -0.304 3.806 4.170 -0.099 0.000 0.243 89 I C 2.458 178.374 176.117 -0.335 0.000 1.085 89 I CA 1.086 62.148 61.300 -0.397 0.000 1.347 89 I CB -0.230 37.248 38.000 -0.870 0.000 1.044 89 I HN 0.113 nan 8.210 nan 0.000 0.408 90 I N 0.680 121.080 120.570 -0.283 0.000 2.118 90 I HA -0.362 3.749 4.170 -0.099 0.000 0.241 90 I C 2.797 178.876 176.117 -0.063 0.000 1.070 90 I CA 1.583 62.812 61.300 -0.119 0.000 1.327 90 I CB -0.462 37.534 38.000 -0.007 0.000 1.034 90 I HN 0.225 nan 8.210 nan 0.000 0.405 91 A N 0.654 123.442 122.820 -0.054 0.000 1.927 91 A HA -0.224 4.037 4.320 -0.099 0.000 0.220 91 A C 2.234 179.808 177.584 -0.018 0.000 1.185 91 A CA 1.758 53.779 52.037 -0.025 0.000 0.639 91 A CB -0.975 18.009 19.000 -0.026 0.000 0.820 91 A HN 0.471 nan 8.150 nan 0.000 0.451 92 L N -1.063 120.135 121.223 -0.041 0.000 2.395 92 L HA -0.005 4.276 4.340 -0.099 0.000 0.218 92 L C 2.242 179.112 176.870 0.001 0.000 1.130 92 L CA 0.449 55.276 54.840 -0.021 0.000 0.826 92 L CB -0.409 41.626 42.059 -0.040 0.000 0.941 92 L HN 0.399 nan 8.230 nan 0.000 0.451 93 I N -0.292 120.266 120.570 -0.020 0.000 2.339 93 I HA -0.197 3.913 4.170 -0.099 0.000 0.245 93 I C 2.459 178.597 176.117 0.035 0.000 1.096 93 I CA 1.104 62.396 61.300 -0.012 0.000 1.408 93 I CB -0.006 37.973 38.000 -0.035 0.000 1.092 93 I HN 0.174 nan 8.210 nan 0.000 0.423 94 K N 0.622 121.053 120.400 0.053 0.000 1.995 94 K HA -0.108 4.152 4.320 -0.099 0.000 0.207 94 K C 1.726 178.440 176.600 0.191 0.000 1.041 94 K CA 1.372 57.723 56.287 0.106 0.000 0.942 94 K CB -0.172 32.364 32.500 0.060 0.000 0.731 94 K HN 0.188 nan 8.250 nan 0.000 0.439 95 D N 0.733 121.189 120.400 0.094 0.000 2.123 95 D HA -0.088 4.493 4.640 -0.099 0.000 0.200 95 D C 1.413 177.730 176.300 0.028 0.000 0.976 95 D CA 1.291 55.318 54.000 0.044 0.000 0.831 95 D CB 0.127 40.935 40.800 0.013 0.000 0.974 95 D HN 0.103 nan 8.370 nan 0.000 0.469 96 K N -0.770 119.668 120.400 0.063 0.000 2.358 96 K HA 0.053 4.314 4.320 -0.099 0.000 0.200 96 K C -0.444 176.236 176.600 0.134 0.000 1.030 96 K CA -0.263 56.052 56.287 0.047 0.000 1.097 96 K CB 0.678 33.191 32.500 0.021 0.000 0.862 96 K HN 0.047 nan 8.250 nan 0.000 0.534 100 A N 1.036 123.871 122.820 0.023 0.000 1.978 100 A HA -0.072 4.189 4.320 -0.099 0.000 0.220 100 A C 1.950 179.562 177.584 0.046 0.000 1.170 100 A CA 2.206 54.273 52.037 0.049 0.000 0.636 100 A CB -1.029 18.049 19.000 0.131 0.000 0.810 100 A HN 0.962 nan 8.150 nan 0.000 0.448 101 D N 0.047 120.476 120.400 0.048 0.000 2.137 101 D HA 0.017 4.598 4.640 -0.099 0.000 0.202 101 D C 1.973 178.310 176.300 0.062 0.000 0.970 101 D CA 1.205 55.239 54.000 0.056 0.000 0.837 101 D CB -0.609 40.216 40.800 0.041 0.000 0.981 101 D HN 0.367 nan 8.370 nan 0.000 0.475 102 A N 1.452 124.298 122.820 0.042 0.000 1.969 102 A HA 0.130 4.390 4.320 -0.099 0.000 0.218 102 A C 2.446 180.069 177.584 0.065 0.000 1.169 102 A CA 1.986 54.061 52.037 0.063 0.000 0.635 102 A CB -0.645 18.376 19.000 0.035 0.000 0.810 102 A HN 0.366 nan 8.150 nan 0.000 0.445 103 A N 0.033 122.858 122.820 0.008 0.000 1.841 103 A HA 0.221 4.482 4.320 -0.099 0.000 0.214 103 A C 2.548 180.095 177.584 -0.061 0.000 1.195 103 A CA 1.985 53.995 52.037 -0.045 0.000 0.611 103 A CB -1.280 17.659 19.000 -0.101 0.000 0.835 103 A HN 1.111 nan 8.150 nan 0.000 0.443 104 A N -0.630 122.151 122.820 -0.064 0.000 1.958 104 A HA -0.289 3.972 4.320 -0.099 0.000 0.221 104 A C 2.023 179.622 177.584 0.024 0.000 1.178 104 A CA 2.558 54.576 52.037 -0.033 0.000 0.642 104 A CB -1.020 18.007 19.000 0.045 0.000 0.816 104 A HN 0.849 nan 8.150 nan 0.000 0.453 105 H N -0.405 118.653 119.070 -0.020 0.000 2.321 105 H HA -0.129 4.368 4.556 -0.099 0.000 0.300 105 H C 2.010 177.327 175.328 -0.019 0.000 1.087 105 H CA 2.141 58.182 56.048 -0.012 0.000 1.319 105 H CB -0.258 29.499 29.762 -0.008 0.000 1.379 105 H HN 0.616 nan 8.280 nan 0.000 0.501 106 E N -0.362 119.757 120.200 -0.134 0.000 2.051 106 E HA -0.136 4.154 4.350 -0.099 0.000 0.192 106 E C 2.319 178.818 176.600 -0.168 0.000 0.991 106 E CA 1.496 57.782 56.400 -0.190 0.000 0.799 106 E CB 0.041 29.708 29.700 -0.055 0.000 0.748 106 E HN 0.386 nan 8.360 nan 0.000 0.449 107 V N 1.732 121.575 119.914 -0.119 0.000 2.343 107 V HA -0.262 3.798 4.120 -0.099 0.000 0.247 107 V C 2.424 178.462 176.094 -0.094 0.000 1.051 107 V CA 1.076 63.316 62.300 -0.100 0.000 1.036 107 V CB -0.417 31.345 31.823 -0.102 0.000 0.654 107 V HN 0.339 nan 8.190 nan 0.000 0.451 108 I N 0.261 120.774 120.570 -0.096 0.000 2.076 108 I HA -0.228 3.883 4.170 -0.099 0.000 0.237 108 I C 2.669 178.719 176.117 -0.113 0.000 1.059 108 I CA 1.917 63.167 61.300 -0.082 0.000 1.317 108 I CB -1.305 36.662 38.000 -0.056 0.000 1.037 108 I HN 0.369 nan 8.210 nan 0.000 0.398 109 E N 1.171 121.252 120.200 -0.198 0.000 2.147 109 E HA -0.192 4.099 4.350 -0.099 0.000 0.199 109 E C 2.166 178.692 176.600 -0.122 0.000 1.005 109 E CA 1.690 57.974 56.400 -0.193 0.000 0.810 109 E CB -0.714 28.780 29.700 -0.344 0.000 0.736 109 E HN 0.500 nan 8.360 nan 0.000 0.460 110 G N 0.053 108.784 108.800 -0.116 0.000 2.434 110 G HA2 -0.295 3.605 3.960 -0.099 0.000 0.214 110 G HA3 -0.295 3.605 3.960 -0.099 0.000 0.214 110 G C 1.495 176.363 174.900 -0.054 0.000 1.202 110 G CA 0.805 45.859 45.100 -0.076 0.000 0.788 110 G HN 0.353 nan 8.290 nan 0.000 0.539 111 Q N 0.289 120.058 119.800 -0.051 0.000 2.135 111 Q HA -0.044 4.236 4.340 -0.099 0.000 0.204 111 Q C 2.931 178.912 176.000 -0.032 0.000 0.981 111 Q CA 1.247 57.030 55.803 -0.034 0.000 0.856 111 Q CB -0.251 28.470 28.738 -0.028 0.000 0.902 111 Q HN 0.489 nan 8.270 nan 0.000 0.425 112 A N 1.161 123.956 122.820 -0.043 0.000 1.897 112 A HA -0.158 4.103 4.320 -0.099 0.000 0.215 112 A C 2.290 179.855 177.584 -0.030 0.000 1.181 112 A CA 1.578 53.592 52.037 -0.038 0.000 0.620 112 A CB -0.541 18.433 19.000 -0.044 0.000 0.821 112 A HN 0.434 nan 8.150 nan 0.000 0.443 113 S N 0.159 115.838 115.700 -0.034 0.000 2.406 113 S HA 0.100 4.510 4.470 -0.099 0.000 0.228 113 S C 2.088 176.677 174.600 -0.018 0.000 1.020 113 S CA 1.197 59.382 58.200 -0.026 0.000 0.965 113 S CB -0.587 62.595 63.200 -0.030 0.000 0.798 113 S HN 0.845 nan 8.310 nan 0.000 0.488 114 A N 2.340 125.148 122.820 -0.020 0.000 1.883 114 A HA 0.055 4.315 4.320 -0.099 0.000 0.217 114 A C 2.316 179.897 177.584 -0.005 0.000 1.186 114 A CA 1.661 53.691 52.037 -0.012 0.000 0.624 114 A CB -0.973 18.020 19.000 -0.012 0.000 0.822 114 A HN 0.566 nan 8.150 nan 0.000 0.444 115 L N -0.940 120.280 121.223 -0.005 0.000 2.083 115 L HA -0.192 4.088 4.340 -0.099 0.000 0.209 115 L C 2.495 179.368 176.870 0.005 0.000 1.083 115 L CA 1.663 56.505 54.840 0.003 0.000 0.752 115 L CB -0.577 41.482 42.059 -0.000 0.000 0.899 115 L HN 0.431 nan 8.230 nan 0.000 0.433 116 E N -0.442 119.756 120.200 -0.003 0.000 2.204 116 E HA -0.205 4.085 4.350 -0.099 0.000 0.194 116 E C 1.998 178.599 176.600 0.002 0.000 0.989 116 E CA 0.504 56.904 56.400 -0.001 0.000 0.824 116 E CB 0.047 29.744 29.700 -0.006 0.000 0.756 116 E HN 0.233 nan 8.360 nan 0.000 0.477 117 E N 0.445 120.646 120.200 0.000 0.000 2.268 117 E HA -0.043 4.248 4.350 -0.099 0.000 0.195 117 E C 0.104 176.707 176.600 0.005 0.000 0.995 117 E CA 0.457 56.857 56.400 0.000 0.000 0.836 117 E CB 0.068 29.766 29.700 -0.003 0.000 0.763 117 E HN 0.192 nan 8.360 nan 0.000 0.491 118 L N 0.813 122.042 121.223 0.009 0.000 2.350 118 L HA 0.200 4.480 4.340 -0.099 0.000 0.275 118 L C 0.354 177.235 176.870 0.019 0.000 1.099 118 L CA -0.403 54.446 54.840 0.014 0.000 0.808 118 L CB 0.735 42.806 42.059 0.021 0.000 1.149 118 L HN -0.193 nan 8.230 nan 0.000 0.442 119 D N 1.489 121.901 120.400 0.019 0.000 2.896 119 D HA 0.125 4.706 4.640 -0.099 0.000 0.240 119 D C -0.900 175.418 176.300 0.030 0.000 1.193 119 D CA -0.075 53.937 54.000 0.020 0.000 0.983 119 D CB 0.047 40.855 40.800 0.015 0.000 1.074 119 D HN 0.469 nan 8.370 nan 0.000 0.496 120 D N 0.619 121.043 120.400 0.041 0.000 2.473 120 D HA 0.112 4.692 4.640 -0.099 0.000 0.253 120 D C 0.940 177.287 176.300 0.078 0.000 1.233 120 D CA -0.478 53.560 54.000 0.064 0.000 0.908 120 D CB 1.068 41.915 40.800 0.079 0.000 1.170 120 D HN -0.094 nan 8.370 nan 0.000 0.558 121 E N 1.817 122.063 120.200 0.077 0.000 2.169 121 E HA -0.280 4.011 4.350 -0.099 0.000 0.202 121 E C 1.162 177.803 176.600 0.068 0.000 1.016 121 E CA 1.153 57.594 56.400 0.068 0.000 0.817 121 E CB -0.194 29.550 29.700 0.074 0.000 0.736 121 E HN 0.699 nan 8.360 nan 0.000 0.462 122 Y N 0.574 120.875 120.300 0.002 0.000 2.242 122 Y HA -0.118 4.356 4.550 -0.125 0.000 0.291 122 Y C 2.233 178.131 175.900 -0.004 0.000 1.137 122 Y CA 1.267 59.364 58.100 -0.004 0.000 1.181 122 Y CB -0.056 38.400 38.460 -0.008 0.000 0.989 122 Y HN -0.047 nan 8.280 nan 0.000 0.527 123 L N -0.233 121.064 121.223 0.122 0.000 2.270 123 L HA -0.103 4.177 4.340 -0.099 0.000 0.210 123 L C 2.126 178.985 176.870 -0.019 0.000 1.104 123 L CA 0.633 55.506 54.840 0.055 0.000 0.804 123 L CB -0.352 41.766 42.059 0.097 0.000 0.937 123 L HN 0.047 nan 8.230 nan 0.000 0.450 124 K N 0.392 120.783 120.400 -0.015 0.000 2.280 124 K HA -0.161 4.100 4.320 -0.099 0.000 0.202 124 K C 1.592 178.155 176.600 -0.061 0.000 1.047 124 K CA 1.081 57.353 56.287 -0.025 0.000 0.942 124 K CB -0.021 32.476 32.500 -0.005 0.000 0.739 124 K HN 0.477 nan 8.250 nan 0.000 0.457 125 E N 0.725 120.854 120.200 -0.118 0.000 2.086 125 E HA -0.093 4.197 4.350 -0.099 0.000 0.190 125 E C 2.162 178.656 176.600 -0.176 0.000 0.975 125 E CA 0.283 56.583 56.400 -0.167 0.000 0.813 125 E CB 0.037 29.572 29.700 -0.275 0.000 0.768 125 E HN 0.196 nan 8.360 nan 0.000 0.457 126 R N 1.042 121.421 120.500 -0.202 0.000 2.120 126 R HA -0.133 4.148 4.340 -0.099 0.000 0.234 126 R C 2.148 178.396 176.300 -0.087 0.000 1.123 126 R CA 1.185 57.205 56.100 -0.134 0.000 0.975 126 R CB -0.132 30.121 30.300 -0.079 0.000 0.866 126 R HN 0.101 nan 8.270 nan 0.000 0.446 127 A N 1.057 123.836 122.820 -0.069 0.000 1.851 127 A HA -0.160 4.101 4.320 -0.099 0.000 0.216 127 A C 2.440 179.987 177.584 -0.062 0.000 1.195 127 A CA 1.874 53.880 52.037 -0.052 0.000 0.622 127 A CB -1.178 17.800 19.000 -0.037 0.000 0.831 127 A HN 0.533 nan 8.150 nan 0.000 0.444 128 A N 0.025 122.806 122.820 -0.064 0.000 1.927 128 A HA -0.287 3.973 4.320 -0.099 0.000 0.220 128 A C 1.746 179.274 177.584 -0.094 0.000 1.185 128 A CA 2.297 54.297 52.037 -0.062 0.000 0.639 128 A CB -0.847 18.122 19.000 -0.053 0.000 0.820 128 A HN 0.523 nan 8.150 nan 0.000 0.451 129 D N -0.477 119.841 120.400 -0.136 0.000 2.117 129 D HA -0.093 4.488 4.640 -0.099 0.000 0.197 129 D C 2.061 178.229 176.300 -0.221 0.000 0.987 129 D CA 1.342 55.187 54.000 -0.258 0.000 0.829 129 D CB -0.654 39.971 40.800 -0.291 0.000 0.961 129 D HN 0.216 nan 8.370 nan 0.000 0.460 130 V N 1.095 120.931 119.914 -0.130 0.000 2.255 130 V HA -0.270 3.790 4.120 -0.099 0.000 0.247 130 V C 2.530 178.583 176.094 -0.068 0.000 1.051 130 V CA 1.753 64.003 62.300 -0.083 0.000 1.018 130 V CB -0.347 31.444 31.823 -0.053 0.000 0.641 130 V HN 0.160 nan 8.190 nan 0.000 0.445 131 R N -0.271 120.193 120.500 -0.060 0.000 2.081 131 R HA -0.214 4.066 4.340 -0.099 0.000 0.235 131 R C 2.157 178.437 176.300 -0.034 0.000 1.131 131 R CA 1.893 57.971 56.100 -0.036 0.000 0.960 131 R CB -0.645 29.639 30.300 -0.026 0.000 0.856 131 R HN 0.629 nan 8.270 nan 0.000 0.436 132 D N 0.832 121.195 120.400 -0.061 0.000 2.106 132 D HA -0.183 4.398 4.640 -0.099 0.000 0.191 132 D C 1.655 177.930 176.300 -0.041 0.000 0.997 132 D CA 1.488 55.456 54.000 -0.054 0.000 0.834 132 D CB -0.062 40.682 40.800 -0.093 0.000 0.956 132 D HN 0.197 nan 8.370 nan 0.000 0.448 133 I N -0.191 120.336 120.570 -0.071 0.000 2.876 133 I HA 0.069 4.179 4.170 -0.099 0.000 0.264 133 I C 2.432 178.554 176.117 0.008 0.000 1.204 133 I CA 0.590 61.872 61.300 -0.030 0.000 1.485 133 I CB -0.269 37.703 38.000 -0.046 0.000 1.103 133 I HN 0.115 nan 8.210 nan 0.000 0.446 134 G N 1.486 110.289 108.800 0.005 0.000 2.491 134 G HA2 -0.246 3.655 3.960 -0.099 0.000 0.218 134 G HA3 -0.246 3.655 3.960 -0.099 0.000 0.218 134 G C 1.723 176.650 174.900 0.044 0.000 1.180 134 G CA 0.677 45.795 45.100 0.031 0.000 0.774 134 G HN 0.170 nan 8.290 nan 0.000 0.562 135 K N 0.368 120.787 120.400 0.032 0.000 2.034 135 K HA -0.160 4.101 4.320 -0.099 0.000 0.214 135 K C 2.410 179.031 176.600 0.034 0.000 1.051 135 K CA 1.421 57.729 56.287 0.035 0.000 0.931 135 K CB -0.567 31.948 32.500 0.024 0.000 0.715 135 K HN 0.370 nan 8.250 nan 0.000 0.446 136 R N 0.882 121.400 120.500 0.031 0.000 2.073 136 R HA -0.139 4.142 4.340 -0.099 0.000 0.234 136 R C 2.452 178.774 176.300 0.035 0.000 1.134 136 R CA 1.149 57.267 56.100 0.030 0.000 0.952 136 R CB -0.395 29.924 30.300 0.031 0.000 0.850 136 R HN 0.077 nan 8.270 nan 0.000 0.433 137 L N 1.363 122.615 121.223 0.048 0.000 1.990 137 L HA -0.201 4.080 4.340 -0.099 0.000 0.213 137 L C 2.192 179.106 176.870 0.074 0.000 1.072 137 L CA 1.783 56.665 54.840 0.069 0.000 0.755 137 L CB -0.559 41.563 42.059 0.106 0.000 0.889 137 L HN 0.263 nan 8.230 nan 0.000 0.432 138 L N -1.170 120.096 121.223 0.072 0.000 2.131 138 L HA -0.182 4.099 4.340 -0.099 0.000 0.210 138 L C 2.727 179.624 176.870 0.045 0.000 1.092 138 L CA 1.064 55.945 54.840 0.067 0.000 0.759 138 L CB -0.498 41.602 42.059 0.068 0.000 0.903 138 L HN 0.252 nan 8.230 nan 0.000 0.435 139 R N -0.277 120.243 120.500 0.034 0.000 2.090 139 R HA -0.073 4.207 4.340 -0.099 0.000 0.228 139 R C 2.002 178.314 176.300 0.020 0.000 1.110 139 R CA 1.027 57.140 56.100 0.022 0.000 0.973 139 R CB -0.372 29.938 30.300 0.016 0.000 0.869 139 R HN 0.467 nan 8.270 nan 0.000 0.440 140 N N 0.986 119.699 118.700 0.022 0.000 2.188 140 N HA -0.096 4.584 4.740 -0.099 0.000 0.184 140 N C 1.956 177.478 175.510 0.020 0.000 1.018 140 N CA 1.048 54.106 53.050 0.014 0.000 0.858 140 N CB -0.053 38.438 38.487 0.006 0.000 0.989 140 N HN 0.199 nan 8.380 nan 0.000 0.426 141 I N 1.177 121.771 120.570 0.041 0.000 2.179 141 I HA -0.217 3.893 4.170 -0.099 0.000 0.242 141 I C 1.422 177.561 176.117 0.037 0.000 1.088 141 I CA 1.069 62.401 61.300 0.055 0.000 1.357 141 I CB -0.114 37.943 38.000 0.095 0.000 1.051 141 I HN 0.014 nan 8.210 nan 0.000 0.409 142 L N 0.758 121.999 121.223 0.030 0.000 2.645 142 L HA 0.219 4.499 4.340 -0.099 0.000 0.234 142 L C 1.504 178.381 176.870 0.012 0.000 1.165 142 L CA 0.225 55.077 54.840 0.019 0.000 0.944 142 L CB -0.655 41.412 42.059 0.014 0.000 1.149 142 L HN 0.442 nan 8.230 nan 0.000 0.446 143 G N 0.690 109.497 108.800 0.012 0.000 2.244 143 G HA2 -0.314 3.587 3.960 -0.099 0.000 0.274 143 G HA3 -0.314 3.587 3.960 -0.099 0.000 0.274 143 G C 0.411 175.314 174.900 0.004 0.000 1.002 143 G CA 0.222 45.325 45.100 0.006 0.000 0.740 143 G HN 0.363 nan 8.290 nan 0.000 0.516 144 L N 0.647 121.874 121.223 0.006 0.000 2.456 144 L HA 0.289 4.569 4.340 -0.099 0.000 0.272 144 L C 1.178 178.049 176.870 0.002 0.000 1.189 144 L CA -0.624 54.218 54.840 0.004 0.000 0.846 144 L CB 0.357 42.419 42.059 0.004 0.000 1.111 144 L HN 0.124 nan 8.230 nan 0.000 0.475 145 K N 3.181 123.581 120.400 0.000 0.000 2.295 145 K HA 0.384 4.644 4.320 -0.099 0.000 0.270 145 K C -0.666 175.933 176.600 -0.002 0.000 1.011 145 K CA -0.311 55.975 56.287 -0.001 0.000 0.953 145 K CB 0.893 33.392 32.500 -0.002 0.000 0.956 145 K HN 0.393 nan 8.250 nan 0.000 0.477 146 I N 1.606 122.174 120.570 -0.004 0.000 2.466 146 I HA 0.243 4.354 4.170 -0.099 0.000 0.279 146 I C -0.486 175.625 176.117 -0.009 0.000 1.033 146 I CA -0.830 60.467 61.300 -0.005 0.000 1.123 146 I CB 0.900 38.898 38.000 -0.005 0.000 1.237 146 I HN 0.339 nan 8.210 nan 0.000 0.460 147 I N 4.119 124.682 120.570 -0.011 0.000 2.312 147 I HA 0.200 4.311 4.170 -0.099 0.000 0.291 147 I C 0.055 176.161 176.117 -0.018 0.000 1.031 147 I CA -0.025 61.266 61.300 -0.015 0.000 1.293 147 I CB 1.026 39.016 38.000 -0.017 0.000 1.403 147 I HN 0.576 nan 8.210 nan 0.000 0.484 148 D N 7.095 127.483 120.400 -0.021 0.000 2.441 148 D HA 0.194 4.775 4.640 -0.099 0.000 0.221 148 D C 1.182 177.467 176.300 -0.025 0.000 1.156 148 D CA -0.284 53.701 54.000 -0.024 0.000 0.896 148 D CB 0.693 41.473 40.800 -0.034 0.000 1.028 148 D HN 0.425 nan 8.370 nan 0.000 0.509 149 L N 2.430 123.637 121.223 -0.026 0.000 2.137 149 L HA -0.257 4.024 4.340 -0.099 0.000 0.213 149 L C 2.331 179.188 176.870 -0.022 0.000 1.085 149 L CA 1.550 56.373 54.840 -0.029 0.000 0.760 149 L CB -0.580 41.454 42.059 -0.042 0.000 0.893 149 L HN 0.411 nan 8.230 nan 0.000 0.434 150 S N -0.555 115.133 115.700 -0.020 0.000 2.436 150 S HA 0.085 4.495 4.470 -0.099 0.000 0.228 150 S C 1.332 175.918 174.600 -0.022 0.000 1.014 150 S CA 0.369 58.559 58.200 -0.017 0.000 0.950 150 S CB -0.073 63.121 63.200 -0.011 0.000 0.784 150 S HN 0.286 nan 8.310 nan 0.000 0.504 151 A N 1.923 124.726 122.820 -0.027 0.000 3.257 151 A HA 0.564 4.824 4.320 -0.099 0.000 0.308 151 A C -0.070 177.502 177.584 -0.020 0.000 1.175 151 A CA -0.681 51.340 52.037 -0.027 0.000 1.018 151 A CB -0.295 18.682 19.000 -0.037 0.000 1.088 151 A HN 0.368 nan 8.150 nan 0.000 0.567 152 I N 1.491 122.053 120.570 -0.014 0.000 2.396 152 I HA 0.037 4.147 4.170 -0.099 0.000 0.289 152 I C 1.732 177.846 176.117 -0.005 0.000 1.056 152 I CA 0.182 61.477 61.300 -0.008 0.000 1.365 152 I CB 0.849 38.847 38.000 -0.004 0.000 1.407 152 I HN 0.666 nan 8.210 nan 0.000 0.509 153 Q N 5.504 125.302 119.800 -0.003 0.000 1.927 153 Q HA -0.209 4.072 4.340 -0.099 0.000 0.210 153 Q C 0.001 176.005 176.000 0.005 0.000 1.001 153 Q CA 1.942 57.745 55.803 -0.000 0.000 0.862 153 Q CB 0.127 28.866 28.738 0.001 0.000 0.934 153 Q HN 0.765 nan 8.270 nan 0.000 0.420 154 D N -0.248 120.158 120.400 0.011 0.000 2.299 154 D HA 0.125 4.706 4.640 -0.099 0.000 0.243 154 D C -1.032 175.281 176.300 0.021 0.000 0.982 154 D CA -0.380 53.631 54.000 0.018 0.000 0.924 154 D CB 1.018 41.833 40.800 0.024 0.000 1.238 154 D HN 0.126 nan 8.370 nan 0.000 0.484 155 E N 0.849 121.066 120.200 0.028 0.000 2.924 155 E HA 0.118 4.409 4.350 -0.099 0.000 0.236 155 E C -0.017 176.600 176.600 0.028 0.000 1.028 155 E CA 0.191 56.610 56.400 0.032 0.000 0.952 155 E CB -0.115 29.611 29.700 0.044 0.000 0.918 155 E HN 0.314 nan 8.360 nan 0.000 0.536 156 V N 0.672 120.598 119.914 0.020 0.000 3.046 156 V HA 0.617 4.678 4.120 -0.099 0.000 0.316 156 V C -0.193 175.905 176.094 0.007 0.000 1.104 156 V CA -1.152 61.154 62.300 0.010 0.000 1.006 156 V CB 1.859 33.689 31.823 0.011 0.000 1.058 156 V HN 0.425 nan 8.190 nan 0.000 0.440 157 I N 2.649 123.213 120.570 -0.011 0.000 2.339 157 I HA 0.358 4.468 4.170 -0.099 0.000 0.290 157 I C -0.177 175.955 176.117 0.025 0.000 0.994 157 I CA -0.494 60.806 61.300 -0.001 0.000 1.191 157 I CB 1.556 39.524 38.000 -0.053 0.000 1.343 157 I HN 0.491 nan 8.210 nan 0.000 0.458 158 L N 7.322 128.589 121.223 0.074 0.000 2.367 158 L HA 0.395 4.676 4.340 -0.099 0.000 0.275 158 L C -0.655 176.270 176.870 0.091 0.000 1.129 158 L CA -0.161 54.724 54.840 0.074 0.000 0.839 158 L CB 1.237 43.343 42.059 0.078 0.000 1.133 158 L HN 0.317 nan 8.230 nan 0.000 0.453 159 V N 3.385 123.327 119.914 0.046 0.000 2.577 159 V HA 0.837 4.897 4.120 -0.099 0.000 0.303 159 V C -0.273 175.834 176.094 0.022 0.000 1.042 159 V CA -0.552 61.774 62.300 0.043 0.000 0.872 159 V CB 1.597 33.434 31.823 0.022 0.000 0.998 159 V HN 0.918 nan 8.190 nan 0.000 0.423 160 A N 2.910 125.746 122.820 0.026 0.000 2.612 160 A HA 0.881 5.142 4.320 -0.099 0.000 0.293 160 A C 0.625 178.215 177.584 0.011 0.000 1.075 160 A CA 0.107 52.145 52.037 0.002 0.000 0.680 160 A CB 1.308 20.289 19.000 -0.031 0.000 1.279 160 A HN 1.362 nan 8.150 nan 0.000 0.411 161 A N -0.080 122.740 122.820 0.001 0.000 1.883 161 A HA 0.281 4.542 4.320 -0.099 0.000 0.217 161 A C 0.808 178.398 177.584 0.010 0.000 1.186 161 A CA 2.717 54.757 52.037 0.005 0.000 0.624 161 A CB -0.302 18.697 19.000 -0.001 0.000 0.822 161 A HN 0.999 nan 8.150 nan 0.000 0.444 162 D N -4.324 116.074 120.400 -0.003 0.000 2.713 162 D HA 0.546 5.127 4.640 -0.099 0.000 0.306 162 D C -1.986 174.284 176.300 -0.050 0.000 1.299 162 D CA -0.402 53.595 54.000 -0.004 0.000 0.823 162 D CB 0.992 41.790 40.800 -0.003 0.000 1.353 162 D HN 0.101 nan 8.370 nan 0.000 0.447 163 L N 1.378 122.558 121.223 -0.073 0.000 2.639 163 L HA 0.454 4.734 4.340 -0.099 0.000 0.264 163 L C -0.571 176.226 176.870 -0.123 0.000 0.948 163 L CA -0.245 54.497 54.840 -0.164 0.000 0.912 163 L CB 1.517 43.348 42.059 -0.381 0.000 1.294 163 L HN 0.559 nan 8.230 nan 0.000 0.412 164 T N 2.122 116.613 114.554 -0.105 0.000 2.909 164 T HA 0.483 4.773 4.350 -0.099 0.000 0.289 164 T C -1.999 172.651 174.700 -0.083 0.000 1.005 164 T CA -1.621 60.438 62.100 -0.069 0.000 1.084 164 T CB 1.339 70.175 68.868 -0.054 0.000 0.975 164 T HN 0.439 nan 8.240 nan 0.000 0.509 165 P HA -0.218 nan 4.420 nan 0.000 0.217 165 P C 1.821 179.047 177.300 -0.123 0.000 1.162 165 P CA 1.763 64.816 63.100 -0.078 0.000 0.901 165 P CB -0.182 31.534 31.700 0.026 0.000 0.793 166 S N -0.099 115.560 115.700 -0.068 0.000 2.359 166 S HA -0.255 4.155 4.470 -0.099 0.000 0.222 166 S C 1.784 176.347 174.600 -0.061 0.000 1.038 166 S CA 1.574 59.745 58.200 -0.049 0.000 1.051 166 S CB -1.312 61.872 63.200 -0.027 0.000 0.944 166 S HN 0.331 nan 8.310 nan 0.000 0.433 167 E N 1.010 121.165 120.200 -0.075 0.000 2.068 167 E HA -0.196 4.095 4.350 -0.099 0.000 0.207 167 E C 2.285 178.807 176.600 -0.130 0.000 1.032 167 E CA 1.854 58.197 56.400 -0.096 0.000 0.839 167 E CB -0.736 28.891 29.700 -0.122 0.000 0.758 167 E HN 0.526 nan 8.360 nan 0.000 0.457 168 T N 0.855 115.302 114.554 -0.179 0.000 2.803 168 T HA -0.187 4.103 4.350 -0.099 0.000 0.269 168 T C 1.942 176.565 174.700 -0.130 0.000 1.052 168 T CA 1.185 63.170 62.100 -0.192 0.000 1.136 168 T CB -0.277 68.474 68.868 -0.195 0.000 0.864 168 T HN 0.311 nan 8.240 nan 0.000 0.467 169 A N 1.421 124.162 122.820 -0.132 0.000 1.933 169 A HA -0.125 4.136 4.320 -0.099 0.000 0.218 169 A C 2.047 179.616 177.584 -0.025 0.000 1.175 169 A CA 1.196 53.178 52.037 -0.092 0.000 0.628 169 A CB -0.464 18.492 19.000 -0.073 0.000 0.814 169 A HN 0.577 nan 8.150 nan 0.000 0.444 170 Q N -0.463 119.324 119.800 -0.022 0.000 2.247 170 Q HA 0.328 4.608 4.340 -0.099 0.000 0.205 170 Q C -0.727 175.264 176.000 -0.015 0.000 0.896 170 Q CA -0.292 55.513 55.803 0.003 0.000 0.950 170 Q CB 0.094 28.839 28.738 0.012 0.000 1.054 170 Q HN 0.558 nan 8.270 nan 0.000 0.482 171 L N 2.027 123.232 121.223 -0.029 0.000 2.315 171 L HA 0.122 4.403 4.340 -0.099 0.000 0.283 171 L C 0.430 177.298 176.870 -0.005 0.000 1.089 171 L CA -0.665 54.162 54.840 -0.023 0.000 0.833 171 L CB 0.153 42.197 42.059 -0.025 0.000 1.170 171 L HN 0.132 nan 8.230 nan 0.000 0.442 172 N N 3.821 122.518 118.700 -0.005 0.000 2.292 172 N HA -0.104 4.576 4.740 -0.099 0.000 0.284 172 N C 0.941 176.456 175.510 0.009 0.000 1.387 172 N CA 0.411 53.461 53.050 -0.001 0.000 0.961 172 N CB 0.508 38.993 38.487 -0.005 0.000 1.356 172 N HN 0.594 nan 8.380 nan 0.000 0.491 173 L N 3.207 124.437 121.223 0.011 0.000 2.265 173 L HA -0.179 4.102 4.340 -0.099 0.000 0.215 173 L C 1.980 178.862 176.870 0.020 0.000 1.117 173 L CA 1.014 55.866 54.840 0.020 0.000 0.782 173 L CB -0.156 41.915 42.059 0.019 0.000 0.914 173 L HN 0.512 nan 8.230 nan 0.000 0.441 174 K N -0.499 119.909 120.400 0.012 0.000 2.366 174 K HA -0.036 4.224 4.320 -0.099 0.000 0.198 174 K C 1.410 178.020 176.600 0.017 0.000 1.044 174 K CA 0.592 56.887 56.287 0.012 0.000 0.973 174 K CB 0.198 32.701 32.500 0.005 0.000 0.767 174 K HN 0.232 nan 8.250 nan 0.000 0.475 175 K N 0.564 120.974 120.400 0.018 0.000 2.443 175 K HA 0.073 4.334 4.320 -0.099 0.000 0.200 175 K C 0.745 177.360 176.600 0.026 0.000 1.278 175 K CA 0.203 56.502 56.287 0.019 0.000 0.925 175 K CB 0.393 32.900 32.500 0.012 0.000 1.225 175 K HN 0.071 nan 8.250 nan 0.000 0.514 176 V N 2.160 122.092 119.914 0.030 0.000 2.432 176 V HA 0.261 4.321 4.120 -0.099 0.000 0.271 176 V C 0.685 176.813 176.094 0.057 0.000 1.046 176 V CA -0.141 62.185 62.300 0.045 0.000 0.945 176 V CB 0.350 32.204 31.823 0.051 0.000 0.992 176 V HN 0.142 nan 8.190 nan 0.000 0.471 177 L N 5.544 126.798 121.223 0.052 0.000 2.616 177 L HA 0.667 4.947 4.340 -0.099 0.000 0.229 177 L C 1.090 177.983 176.870 0.038 0.000 1.110 177 L CA 0.606 55.473 54.840 0.045 0.000 0.884 177 L CB -0.040 42.043 42.059 0.040 0.000 1.115 177 L HN 1.006 nan 8.230 nan 0.000 0.481 178 G N 0.275 109.114 108.800 0.066 0.000 2.321 178 G HA2 0.354 4.254 3.960 -0.099 0.000 0.298 178 G HA3 0.354 4.254 3.960 -0.099 0.000 0.298 178 G C -1.837 173.152 174.900 0.147 0.000 1.385 178 G CA -0.560 44.561 45.100 0.036 0.000 0.856 178 G HN -0.051 nan 8.290 nan 0.000 0.584 179 F N -1.481 118.451 119.950 -0.031 0.000 2.685 179 F HA 0.900 5.368 4.527 -0.098 0.000 0.315 179 F C -1.108 174.671 175.800 -0.034 0.000 1.126 179 F CA -1.680 56.301 58.000 -0.032 0.000 0.950 179 F CB 1.562 40.547 39.000 -0.026 0.000 1.360 179 F HN 0.536 nan 8.300 nan 0.000 0.469 180 I N 1.521 122.239 120.570 0.248 0.000 2.610 180 I HA 0.556 4.666 4.170 -0.099 0.000 0.289 180 I C -0.985 175.232 176.117 0.166 0.000 1.163 180 I CA -0.729 60.636 61.300 0.108 0.000 1.044 180 I CB 2.490 40.502 38.000 0.021 0.000 1.251 180 I HN 0.915 nan 8.210 nan 0.000 0.424 181 T N -1.001 113.640 114.554 0.145 0.000 2.916 181 T HA 0.399 4.690 4.350 -0.099 0.000 0.292 181 T C 0.128 174.861 174.700 0.054 0.000 1.064 181 T CA -0.640 61.522 62.100 0.104 0.000 1.011 181 T CB 2.531 71.476 68.868 0.128 0.000 1.152 181 T HN 0.422 nan 8.240 nan 0.000 0.510 182 D N 0.938 121.359 120.400 0.036 0.000 2.091 182 D HA 0.200 4.780 4.640 -0.099 0.000 0.199 182 D C 1.218 177.532 176.300 0.023 0.000 0.980 182 D CA 1.363 55.376 54.000 0.022 0.000 0.831 182 D CB -0.420 40.389 40.800 0.016 0.000 0.987 182 D HN 0.856 nan 8.370 nan 0.000 0.460 183 A N -0.737 122.100 122.820 0.028 0.000 2.247 183 A HA 0.708 4.968 4.320 -0.099 0.000 0.313 183 A C 0.634 178.239 177.584 0.035 0.000 1.109 183 A CA 0.305 52.358 52.037 0.026 0.000 0.890 183 A CB 1.122 20.135 19.000 0.022 0.000 1.239 183 A HN 0.377 nan 8.150 nan 0.000 0.506 184 G N -2.422 106.395 108.800 0.028 0.000 2.408 184 G HA2 0.532 4.432 3.960 -0.099 0.000 0.682 184 G HA3 0.532 4.432 3.960 -0.099 0.000 0.682 184 G C -0.279 174.621 174.900 0.000 0.000 1.303 184 G CA -0.088 45.031 45.100 0.031 0.000 0.966 184 G HN 2.135 nan 8.290 nan 0.000 0.560 185 G N -1.375 107.415 108.800 -0.017 0.000 2.672 185 G HA2 0.684 4.585 3.960 -0.099 0.000 0.292 185 G HA3 0.684 4.585 3.960 -0.099 0.000 0.292 185 G C 0.550 175.412 174.900 -0.064 0.000 1.375 185 G CA 0.439 45.494 45.100 -0.075 0.000 0.890 185 G HN 1.222 nan 8.290 nan 0.000 0.476 186 R N -0.337 120.117 120.500 -0.078 0.000 2.170 186 R HA -0.056 4.224 4.340 -0.099 0.000 0.242 186 R C 1.571 177.852 176.300 -0.032 0.000 1.145 186 R CA 2.609 58.687 56.100 -0.037 0.000 0.984 186 R CB -0.419 29.877 30.300 -0.008 0.000 0.869 186 R HN 0.424 nan 8.270 nan 0.000 0.455 187 T N -0.421 114.067 114.554 -0.110 0.000 3.084 187 T HA 0.210 4.500 4.350 -0.099 0.000 0.270 187 T C 0.056 174.725 174.700 -0.052 0.000 1.008 187 T CA 0.373 62.423 62.100 -0.083 0.000 0.900 187 T CB -0.046 68.727 68.868 -0.158 0.000 1.084 187 T HN 0.410 nan 8.240 nan 0.000 0.538 191 S N 1.298 117.106 115.700 0.180 0.000 2.365 191 S HA 0.073 4.484 4.470 -0.099 0.000 0.225 191 S C 1.179 175.862 174.600 0.138 0.000 1.039 191 S CA 0.977 59.269 58.200 0.153 0.000 1.033 191 S CB -0.380 62.872 63.200 0.086 0.000 0.887 191 S HN 0.408 nan 8.310 nan 0.000 0.447 195 R N 0.873 121.423 120.500 0.084 0.000 2.073 195 R HA 0.002 4.283 4.340 -0.099 0.000 0.229 195 R C 1.836 178.180 176.300 0.074 0.000 1.120 195 R CA 1.713 57.852 56.100 0.066 0.000 0.967 195 R CB -0.305 30.038 30.300 0.071 0.000 0.862 195 R HN 0.395 nan 8.270 nan 0.000 0.436 196 S N 1.307 117.068 115.700 0.102 0.000 2.481 196 S HA 0.054 4.465 4.470 -0.099 0.000 0.231 196 S C 1.764 176.410 174.600 0.077 0.000 0.996 196 S CA 0.694 58.954 58.200 0.100 0.000 0.942 196 S CB -0.001 63.286 63.200 0.144 0.000 0.768 196 S HN 0.224 nan 8.310 nan 0.000 0.520 197 L N 0.864 122.129 121.223 0.071 0.000 2.591 197 L HA 0.205 4.485 4.340 -0.099 0.000 0.228 197 L C 0.268 177.167 176.870 0.049 0.000 1.133 197 L CA 0.216 55.091 54.840 0.058 0.000 0.880 197 L CB -0.525 41.570 42.059 0.060 0.000 1.033 197 L HN 0.228 nan 8.230 nan 0.000 0.450 198 E N 0.246 120.472 120.200 0.044 0.000 2.513 198 E HA -0.225 4.066 4.350 -0.099 0.000 0.257 198 E C -0.269 176.344 176.600 0.021 0.000 1.098 198 E CA 0.102 56.520 56.400 0.029 0.000 0.752 198 E CB -1.271 28.446 29.700 0.029 0.000 1.324 198 E HN 0.112 nan 8.360 nan 0.000 0.403 199 L N 1.406 122.642 121.223 0.020 0.000 2.262 199 L HA 0.341 4.622 4.340 -0.099 0.000 0.288 199 L C -2.114 174.709 176.870 -0.079 0.000 1.035 199 L CA -2.089 52.756 54.840 0.009 0.000 0.820 199 L CB 0.638 42.745 42.059 0.080 0.000 1.204 199 L HN -0.191 nan 8.230 nan 0.000 0.424 200 P HA 0.276 nan 4.420 nan 0.000 0.268 200 P C -1.356 175.746 177.300 -0.329 0.000 1.204 200 P CA -0.231 62.776 63.100 -0.155 0.000 0.768 200 P CB 0.994 32.633 31.700 -0.101 0.000 0.842 201 A N 3.857 126.434 122.820 -0.406 0.000 2.488 201 A HA 0.698 4.958 4.320 -0.099 0.000 0.298 201 A C -1.012 176.344 177.584 -0.381 0.000 1.044 201 A CA -0.633 50.989 52.037 -0.692 0.000 0.693 201 A CB 1.051 19.305 19.000 -1.243 0.000 1.272 201 A HN 0.428 nan 8.150 nan 0.000 0.402 202 I N 2.867 123.258 120.570 -0.297 0.000 2.418 202 I HA 0.499 4.610 4.170 -0.099 0.000 0.287 202 I C 0.076 176.145 176.117 -0.081 0.000 1.008 202 I CA -0.910 60.298 61.300 -0.152 0.000 1.104 202 I CB 1.971 39.902 38.000 -0.115 0.000 1.264 202 I HN 0.628 nan 8.210 nan 0.000 0.438 203 V N 2.305 122.193 119.914 -0.043 0.000 3.193 203 V HA 0.869 4.930 4.120 -0.099 0.000 0.320 203 V C 0.928 177.026 176.094 0.006 0.000 1.112 203 V CA -0.098 62.212 62.300 0.017 0.000 1.026 203 V CB 1.193 33.041 31.823 0.043 0.000 1.128 203 V HN 1.027 nan 8.190 nan 0.000 0.452 204 G N 0.735 109.547 108.800 0.020 0.000 2.249 204 G HA2 -0.214 3.686 3.960 -0.099 0.000 0.273 204 G HA3 -0.214 3.686 3.960 -0.099 0.000 0.273 204 G C 0.190 175.093 174.900 0.005 0.000 1.036 204 G CA 0.399 45.506 45.100 0.012 0.000 0.824 204 G HN 1.349 nan 8.290 nan 0.000 0.504 205 T N -0.422 114.133 114.554 0.002 0.000 2.856 205 T HA 0.459 4.749 4.350 -0.099 0.000 0.306 205 T C 2.017 176.717 174.700 0.000 0.000 1.062 205 T CA 0.353 62.450 62.100 -0.006 0.000 1.083 205 T CB 1.327 70.189 68.868 -0.010 0.000 0.984 205 T HN 0.839 nan 8.240 nan 0.000 0.542 206 G N 0.731 109.528 108.800 -0.004 0.000 2.604 206 G HA2 -0.047 3.854 3.960 -0.099 0.000 0.216 206 G HA3 -0.047 3.854 3.960 -0.099 0.000 0.216 206 G C 0.338 175.239 174.900 0.002 0.000 1.265 206 G CA 0.395 45.495 45.100 0.000 0.000 0.804 206 G HN 0.656 nan 8.290 nan 0.000 0.579 207 S N -0.735 114.964 115.700 -0.002 0.000 2.479 207 S HA 0.298 4.709 4.470 -0.099 0.000 0.169 207 S C 0.701 175.299 174.600 -0.002 0.000 1.181 207 S CA -0.504 57.696 58.200 0.000 0.000 1.169 207 S CB 1.446 64.646 63.200 0.001 0.000 1.384 207 S HN 0.243 nan 8.310 nan 0.000 0.412 208 V N 0.774 120.687 119.914 -0.001 0.000 2.719 208 V HA -0.100 3.960 4.120 -0.099 0.000 0.252 208 V C 2.669 178.764 176.094 0.002 0.000 1.065 208 V CA 1.813 64.111 62.300 -0.003 0.000 1.086 208 V CB -1.599 30.224 31.823 -0.000 0.000 0.700 208 V HN 0.838 nan 8.190 nan 0.000 0.467 209 T N 0.495 115.052 114.554 0.005 0.000 2.708 209 T HA -0.207 4.084 4.350 -0.099 0.000 0.266 209 T C 1.957 176.659 174.700 0.004 0.000 1.037 209 T CA 1.925 64.028 62.100 0.006 0.000 1.146 209 T CB -0.817 68.055 68.868 0.006 0.000 0.865 209 T HN 0.648 nan 8.240 nan 0.000 0.435 210 S N 0.990 116.693 115.700 0.003 0.000 2.489 210 S HA 0.052 4.462 4.470 -0.099 0.000 0.228 210 S C 2.010 176.612 174.600 0.004 0.000 0.995 210 S CA 0.176 58.378 58.200 0.004 0.000 0.934 210 S CB -0.382 62.820 63.200 0.003 0.000 0.771 210 S HN 0.575 nan 8.310 nan 0.000 0.522 211 Q N 0.244 120.045 119.800 0.002 0.000 2.384 211 Q HA 0.301 4.581 4.340 -0.099 0.000 0.207 211 Q C -0.563 175.440 176.000 0.005 0.000 0.904 211 Q CA 0.167 55.971 55.803 0.002 0.000 0.933 211 Q CB 0.772 29.507 28.738 -0.005 0.000 1.077 211 Q HN 0.368 nan 8.270 nan 0.000 0.522 212 V N 1.538 121.456 119.914 0.005 0.000 2.604 212 V HA 0.269 4.329 4.120 -0.099 0.000 0.305 212 V C -0.557 175.544 176.094 0.012 0.000 1.043 212 V CA -0.792 61.513 62.300 0.009 0.000 0.888 212 V CB 2.000 33.825 31.823 0.003 0.000 0.995 212 V HN 0.055 nan 8.190 nan 0.000 0.429 213 K N 2.473 122.883 120.400 0.018 0.000 2.110 213 K HA 0.398 4.658 4.320 -0.099 0.000 0.263 213 K C -0.138 176.474 176.600 0.020 0.000 0.975 213 K CA -0.590 55.708 56.287 0.019 0.000 0.895 213 K CB 1.178 33.692 32.500 0.023 0.000 1.060 213 K HN 0.623 nan 8.250 nan 0.000 0.448 214 N N 1.870 120.581 118.700 0.017 0.000 2.412 214 N HA -0.128 4.553 4.740 -0.099 0.000 0.258 214 N C -0.521 175.004 175.510 0.026 0.000 1.236 214 N CA 0.670 53.730 53.050 0.017 0.000 0.882 214 N CB 0.245 38.741 38.487 0.014 0.000 1.066 214 N HN 0.606 nan 8.380 nan 0.000 0.465 215 D N 0.583 121.000 120.400 0.029 0.000 3.070 215 D HA -0.172 4.409 4.640 -0.099 0.000 0.210 215 D C -0.968 175.372 176.300 0.065 0.000 1.103 215 D CA 0.777 54.803 54.000 0.044 0.000 0.980 215 D CB -0.856 39.970 40.800 0.043 0.000 1.100 215 D HN 0.602 nan 8.370 nan 0.000 0.423 216 D N -0.453 119.981 120.400 0.056 0.000 2.378 216 D HA 0.078 4.658 4.640 -0.099 0.000 0.238 216 D C 0.180 176.544 176.300 0.108 0.000 1.180 216 D CA 0.197 54.246 54.000 0.081 0.000 0.895 216 D CB 0.182 41.015 40.800 0.055 0.000 1.192 216 D HN 0.149 nan 8.370 nan 0.000 0.438 217 Y N 1.294 121.618 120.300 0.040 0.000 2.367 217 Y HA 0.360 4.851 4.550 -0.099 0.000 0.342 217 Y C -0.992 174.937 175.900 0.049 0.000 0.979 217 Y CA -0.717 57.414 58.100 0.051 0.000 1.161 217 Y CB 0.257 38.754 38.460 0.061 0.000 1.155 217 Y HN 0.101 nan 8.280 nan 0.000 0.503 218 L N 6.870 127.903 121.223 -0.318 0.000 2.333 218 L HA 0.523 4.804 4.340 -0.099 0.000 0.269 218 L C -0.532 176.145 176.870 -0.321 0.000 1.010 218 L CA -1.047 53.682 54.840 -0.186 0.000 0.818 218 L CB 1.685 43.661 42.059 -0.139 0.000 1.306 218 L HN 0.523 nan 8.230 nan 0.000 0.430 219 I N 0.644 121.118 120.570 -0.160 0.000 2.371 219 I HA 0.449 4.559 4.170 -0.099 0.000 0.282 219 I C -0.683 175.312 176.117 -0.205 0.000 1.031 219 I CA -0.547 60.533 61.300 -0.367 0.000 1.180 219 I CB 1.314 39.047 38.000 -0.446 0.000 1.336 219 I HN 0.504 nan 8.210 nan 0.000 0.467 220 L N 6.132 127.200 121.223 -0.259 0.000 2.325 220 L HA 0.345 4.626 4.340 -0.099 0.000 0.284 220 L C -0.518 176.256 176.870 -0.160 0.000 1.089 220 L CA 0.132 54.869 54.840 -0.172 0.000 0.836 220 L CB 0.631 42.599 42.059 -0.153 0.000 1.184 220 L HN 0.663 nan 8.230 nan 0.000 0.444 221 D N 4.796 125.130 120.400 -0.111 0.000 2.473 221 D HA 0.270 4.851 4.640 -0.099 0.000 0.226 221 D C 0.385 176.642 176.300 -0.072 0.000 1.089 221 D CA -0.283 53.678 54.000 -0.064 0.000 0.883 221 D CB 1.790 42.602 40.800 0.019 0.000 1.029 221 D HN 0.598 nan 8.370 nan 0.000 0.517 222 A N 3.160 125.935 122.820 -0.074 0.000 2.370 222 A HA 0.202 4.463 4.320 -0.099 0.000 0.238 222 A C 1.494 179.051 177.584 -0.044 0.000 1.289 222 A CA -0.123 51.869 52.037 -0.075 0.000 0.885 222 A CB 0.207 19.146 19.000 -0.102 0.000 0.961 222 A HN 0.441 nan 8.150 nan 0.000 0.499 223 V N -0.072 119.828 119.914 -0.023 0.000 2.492 223 V HA -0.041 4.019 4.120 -0.099 0.000 0.241 223 V C 1.675 177.767 176.094 -0.004 0.000 1.041 223 V CA 1.418 63.715 62.300 -0.005 0.000 1.057 223 V CB -0.246 31.585 31.823 0.013 0.000 0.711 223 V HN 0.595 nan 8.190 nan 0.000 0.468 224 N N 0.362 119.061 118.700 -0.002 0.000 2.236 224 N HA 0.053 4.734 4.740 -0.099 0.000 0.196 224 N C 0.137 175.631 175.510 -0.026 0.000 1.114 224 N CA 0.195 53.245 53.050 -0.001 0.000 0.859 224 N CB 0.168 38.669 38.487 0.024 0.000 0.982 224 N HN 0.443 nan 8.380 nan 0.000 0.493 225 N N 2.216 120.888 118.700 -0.048 0.000 2.643 225 N HA -0.172 4.509 4.740 -0.099 0.000 0.267 225 N C -1.374 174.071 175.510 -0.109 0.000 1.158 225 N CA 0.575 53.583 53.050 -0.070 0.000 0.684 225 N CB -1.206 37.252 38.487 -0.050 0.000 0.879 225 N HN 0.512 nan 8.380 nan 0.000 0.553 226 Q N -1.169 118.534 119.800 -0.162 0.000 2.403 226 Q HA 0.574 4.855 4.340 -0.099 0.000 0.267 226 Q C -1.498 174.287 176.000 -0.359 0.000 0.991 226 Q CA -1.085 54.537 55.803 -0.302 0.000 0.906 226 Q CB 1.414 29.895 28.738 -0.429 0.000 1.422 226 Q HN 0.018 nan 8.270 nan 0.000 0.400 227 V N 2.533 122.224 119.914 -0.371 0.000 2.409 227 V HA 0.407 4.467 4.120 -0.099 0.000 0.291 227 V C -1.226 174.649 176.094 -0.365 0.000 1.020 227 V CA -0.641 61.488 62.300 -0.285 0.000 0.848 227 V CB 0.711 32.441 31.823 -0.156 0.000 0.990 227 V HN 0.666 nan 8.190 nan 0.000 0.430 228 Y N 3.120 123.381 120.300 -0.065 0.000 2.326 228 Y HA 0.507 4.998 4.550 -0.099 0.000 0.337 228 Y C 0.276 176.167 175.900 -0.016 0.000 1.023 228 Y CA -0.811 57.271 58.100 -0.029 0.000 1.143 228 Y CB 1.457 39.908 38.460 -0.016 0.000 1.183 228 Y HN 0.364 nan 8.280 nan 0.000 0.485 229 V N 4.657 124.648 119.914 0.129 0.000 2.348 229 V HA 0.134 4.194 4.120 -0.099 0.000 0.270 229 V C -0.090 176.079 176.094 0.125 0.000 1.037 229 V CA -1.065 61.291 62.300 0.093 0.000 0.872 229 V CB 0.342 32.195 31.823 0.051 0.000 1.002 229 V HN 0.949 nan 8.190 nan 0.000 0.464 230 N N 3.480 122.272 118.700 0.154 0.000 2.696 230 N HA -0.111 4.569 4.740 -0.099 0.000 0.256 230 N C -2.107 173.490 175.510 0.145 0.000 1.031 230 N CA 0.313 53.462 53.050 0.166 0.000 0.730 230 N CB -0.664 37.890 38.487 0.111 0.000 0.894 230 N HN 0.540 nan 8.380 nan 0.000 0.544 231 P HA -0.006 nan 4.420 nan 0.000 0.265 231 P C 0.265 177.595 177.300 0.050 0.000 1.193 231 P CA 0.350 63.514 63.100 0.107 0.000 0.765 231 P CB 0.480 32.232 31.700 0.088 0.000 0.823 232 T N 3.459 118.025 114.554 0.020 0.000 2.939 232 T HA -0.069 4.221 4.350 -0.099 0.000 0.312 232 T C 1.740 176.429 174.700 -0.018 0.000 1.064 232 T CA 0.225 62.324 62.100 -0.002 0.000 1.136 232 T CB -0.185 68.680 68.868 -0.004 0.000 1.035 232 T HN 0.428 nan 8.240 nan 0.000 0.538 233 N N 2.119 120.805 118.700 -0.023 0.000 2.205 233 N HA -0.122 4.558 4.740 -0.099 0.000 0.186 233 N C 1.965 177.460 175.510 -0.025 0.000 1.015 233 N CA 1.147 54.180 53.050 -0.029 0.000 0.862 233 N CB 0.005 38.469 38.487 -0.039 0.000 0.986 233 N HN 0.840 nan 8.380 nan 0.000 0.429 234 E N 0.038 120.223 120.200 -0.026 0.000 2.358 234 E HA -0.053 4.238 4.350 -0.099 0.000 0.195 234 E C 1.510 178.085 176.600 -0.042 0.000 1.010 234 E CA 0.570 56.954 56.400 -0.027 0.000 0.856 234 E CB -0.005 29.683 29.700 -0.020 0.000 0.795 234 E HN 0.082 nan 8.360 nan 0.000 0.504 235 V N 1.577 121.451 119.914 -0.066 0.000 2.446 235 V HA -0.136 3.925 4.120 -0.099 0.000 0.244 235 V C 2.422 178.462 176.094 -0.090 0.000 1.039 235 V CA 1.029 63.241 62.300 -0.146 0.000 1.045 235 V CB -0.351 31.322 31.823 -0.250 0.000 0.681 235 V HN 0.244 nan 8.190 nan 0.000 0.459 236 I N 0.330 120.900 120.570 -0.001 0.000 2.530 236 I HA -0.216 3.895 4.170 -0.099 0.000 0.257 236 I C 2.056 178.236 176.117 0.105 0.000 1.179 236 I CA 1.270 62.651 61.300 0.136 0.000 1.440 236 I CB -0.366 37.697 38.000 0.104 0.000 1.087 236 I HN 0.370 nan 8.210 nan 0.000 0.440 237 D N 0.962 121.378 120.400 0.025 0.000 2.214 237 D HA 0.007 4.587 4.640 -0.099 0.000 0.217 237 D C 1.166 177.478 176.300 0.021 0.000 0.973 237 D CA 0.540 54.545 54.000 0.009 0.000 0.880 237 D CB 0.074 40.867 40.800 -0.012 0.000 1.031 237 D HN 0.230 nan 8.370 nan 0.000 0.468 241 A N 0.345 123.198 122.820 0.056 0.000 2.016 241 A HA 0.090 4.350 4.320 -0.099 0.000 0.217 241 A C 1.697 179.313 177.584 0.053 0.000 1.162 241 A CA 1.432 53.492 52.037 0.038 0.000 0.662 241 A CB -0.217 18.797 19.000 0.024 0.000 0.812 241 A HN 0.054 nan 8.150 nan 0.000 0.450 242 V N -0.035 119.926 119.914 0.078 0.000 2.427 242 V HA -0.278 3.782 4.120 -0.099 0.000 0.248 242 V C 2.662 178.807 176.094 0.084 0.000 1.051 242 V CA 2.189 64.535 62.300 0.077 0.000 1.048 242 V CB -0.631 31.244 31.823 0.086 0.000 0.666 242 V HN 0.744 nan 8.190 nan 0.000 0.456 243 Q N -0.019 119.854 119.800 0.122 0.000 2.124 243 Q HA -0.297 3.984 4.340 -0.099 0.000 0.202 243 Q C 2.246 178.287 176.000 0.068 0.000 0.977 243 Q CA 2.168 58.044 55.803 0.122 0.000 0.850 243 Q CB -0.023 28.830 28.738 0.191 0.000 0.901 243 Q HN 0.812 nan 8.270 nan 0.000 0.429 244 E N 0.277 120.507 120.200 0.049 0.000 2.058 244 E HA -0.260 4.030 4.350 -0.099 0.000 0.194 244 E C 1.929 178.546 176.600 0.028 0.000 0.997 244 E CA 1.800 58.217 56.400 0.027 0.000 0.801 244 E CB -0.079 29.631 29.700 0.016 0.000 0.746 244 E HN 0.408 nan 8.360 nan 0.000 0.450 245 Q N -0.122 119.698 119.800 0.032 0.000 2.050 245 Q HA -0.130 4.150 4.340 -0.099 0.000 0.202 245 Q C 2.396 178.413 176.000 0.028 0.000 0.980 245 Q CA 1.721 57.540 55.803 0.028 0.000 0.840 245 Q CB -0.063 28.693 28.738 0.030 0.000 0.898 245 Q HN 0.231 nan 8.270 nan 0.000 0.424 246 V N 0.936 120.871 119.914 0.036 0.000 2.282 246 V HA -0.357 3.703 4.120 -0.099 0.000 0.249 246 V C 2.229 178.340 176.094 0.029 0.000 1.057 246 V CA 2.067 64.388 62.300 0.034 0.000 1.032 246 V CB -0.962 30.889 31.823 0.045 0.000 0.645 246 V HN 0.468 nan 8.190 nan 0.000 0.447 247 A N -0.885 121.952 122.820 0.029 0.000 1.930 247 A HA -0.187 4.074 4.320 -0.099 0.000 0.217 247 A C 2.448 180.041 177.584 0.016 0.000 1.175 247 A CA 2.136 54.187 52.037 0.022 0.000 0.627 247 A CB -0.587 18.425 19.000 0.021 0.000 0.815 247 A HN 0.534 nan 8.150 nan 0.000 0.443 248 S N -0.070 115.639 115.700 0.015 0.000 2.383 248 S HA -0.139 4.271 4.470 -0.099 0.000 0.227 248 S C 1.786 176.393 174.600 0.012 0.000 1.026 248 S CA 1.259 59.466 58.200 0.012 0.000 0.981 248 S CB -0.320 62.887 63.200 0.012 0.000 0.818 248 S HN 0.684 nan 8.310 nan 0.000 0.472 249 E N 1.447 121.656 120.200 0.014 0.000 2.097 249 E HA -0.211 4.080 4.350 -0.099 0.000 0.196 249 E C 2.018 178.625 176.600 0.011 0.000 1.000 249 E CA 1.089 57.497 56.400 0.013 0.000 0.804 249 E CB -0.201 29.508 29.700 0.016 0.000 0.740 249 E HN 0.477 nan 8.360 nan 0.000 0.454 250 K N 0.804 121.211 120.400 0.012 0.000 1.985 250 K HA -0.125 4.135 4.320 -0.099 0.000 0.210 250 K C 2.269 178.873 176.600 0.007 0.000 1.047 250 K CA 1.251 57.544 56.287 0.010 0.000 0.932 250 K CB -0.289 32.218 32.500 0.012 0.000 0.716 250 K HN 0.068 nan 8.250 nan 0.000 0.439 251 A N 1.362 124.187 122.820 0.007 0.000 1.927 251 A HA -0.310 3.951 4.320 -0.099 0.000 0.220 251 A C 2.129 179.715 177.584 0.003 0.000 1.185 251 A CA 2.266 54.306 52.037 0.005 0.000 0.639 251 A CB -0.557 18.446 19.000 0.005 0.000 0.820 251 A HN 0.431 nan 8.150 nan 0.000 0.451 252 E N -0.065 120.138 120.200 0.004 0.000 2.028 252 E HA -0.071 4.220 4.350 -0.099 0.000 0.190 252 E C 1.862 178.463 176.600 0.001 0.000 0.984 252 E CA 1.086 57.488 56.400 0.003 0.000 0.800 252 E CB -0.417 29.286 29.700 0.005 0.000 0.758 252 E HN 0.546 nan 8.360 nan 0.000 0.448 253 L N 0.525 121.749 121.223 0.002 0.000 2.081 253 L HA -0.222 4.058 4.340 -0.099 0.000 0.212 253 L C 2.596 179.464 176.870 -0.003 0.000 1.080 253 L CA 1.086 55.926 54.840 -0.001 0.000 0.754 253 L CB -0.734 41.326 42.059 0.001 0.000 0.893 253 L HN 0.286 nan 8.230 nan 0.000 0.433 254 A N -0.122 122.697 122.820 -0.001 0.000 2.009 254 A HA -0.308 3.952 4.320 -0.099 0.000 0.222 254 A C 2.355 179.936 177.584 -0.005 0.000 1.175 254 A CA 2.088 54.123 52.037 -0.003 0.000 0.651 254 A CB -0.564 18.436 19.000 -0.001 0.000 0.815 254 A HN 0.358 nan 8.150 nan 0.000 0.459 255 K N -0.648 119.749 120.400 -0.005 0.000 2.442 255 K HA 0.014 4.275 4.320 -0.099 0.000 0.198 255 K C 1.210 177.805 176.600 -0.009 0.000 1.042 255 K CA 0.806 57.090 56.287 -0.006 0.000 0.958 255 K CB -0.243 32.255 32.500 -0.004 0.000 0.766 255 K HN 0.600 nan 8.250 nan 0.000 0.474 256 L N -0.126 121.090 121.223 -0.011 0.000 2.529 256 L HA 0.027 4.307 4.340 -0.099 0.000 0.223 256 L C 2.020 178.878 176.870 -0.019 0.000 1.113 256 L CA 0.103 54.933 54.840 -0.016 0.000 0.861 256 L CB -0.226 41.821 42.059 -0.019 0.000 1.012 256 L HN 0.059 nan 8.230 nan 0.000 0.461 257 K N 0.943 121.334 120.400 -0.015 0.000 2.137 257 K HA -0.312 3.948 4.320 -0.099 0.000 0.216 257 K C 1.232 177.820 176.600 -0.019 0.000 1.052 257 K CA 2.493 58.771 56.287 -0.015 0.000 0.939 257 K CB -0.023 32.470 32.500 -0.011 0.000 0.724 257 K HN 0.311 nan 8.250 nan 0.000 0.465 258 D N -0.167 120.221 120.400 -0.019 0.000 2.355 258 D HA 0.087 4.667 4.640 -0.099 0.000 0.206 258 D C 0.363 176.647 176.300 -0.027 0.000 1.010 258 D CA 0.144 54.131 54.000 -0.022 0.000 0.875 258 D CB 0.104 40.893 40.800 -0.019 0.000 0.966 258 D HN 0.199 nan 8.370 nan 0.000 0.512 259 L N 2.438 123.645 121.223 -0.026 0.000 2.485 259 L HA 0.142 4.422 4.340 -0.099 0.000 0.275 259 L C -2.002 174.845 176.870 -0.039 0.000 1.207 259 L CA -1.373 53.449 54.840 -0.030 0.000 0.855 259 L CB -0.266 41.778 42.059 -0.026 0.000 1.114 259 L HN -0.225 nan 8.230 nan 0.000 0.485 260 P HA 0.081 nan 4.420 nan 0.000 0.272 260 P C -0.850 176.411 177.300 -0.066 0.000 1.240 260 P CA -0.467 62.598 63.100 -0.059 0.000 0.791 260 P CB 0.600 32.264 31.700 -0.060 0.000 0.978 261 A N 2.452 125.221 122.820 -0.085 0.000 2.923 261 A HA 0.400 4.661 4.320 -0.099 0.000 0.306 261 A C -0.076 177.447 177.584 -0.101 0.000 1.542 261 A CA -0.224 51.752 52.037 -0.102 0.000 1.225 261 A CB -1.192 17.726 19.000 -0.138 0.000 1.147 261 A HN 0.379 nan 8.150 nan 0.000 0.542 262 I N 2.510 123.038 120.570 -0.070 0.000 2.418 262 I HA 0.225 4.336 4.170 -0.099 0.000 0.287 262 I C 0.883 177.000 176.117 -0.000 0.000 1.008 262 I CA -0.584 60.684 61.300 -0.053 0.000 1.104 262 I CB 2.159 40.130 38.000 -0.048 0.000 1.264 262 I HN 0.612 nan 8.210 nan 0.000 0.438 263 T N 3.058 117.641 114.554 0.049 0.000 2.855 263 T HA 0.153 4.444 4.350 -0.099 0.000 0.322 263 T C 1.476 176.227 174.700 0.085 0.000 1.088 263 T CA -0.361 61.802 62.100 0.104 0.000 1.104 263 T CB 0.857 69.850 68.868 0.208 0.000 0.996 263 T HN 0.478 nan 8.240 nan 0.000 0.549 264 L N 0.979 122.254 121.223 0.087 0.000 2.064 264 L HA -0.162 4.118 4.340 -0.099 0.000 0.216 264 L C 2.209 179.124 176.870 0.075 0.000 1.077 264 L CA 2.095 56.976 54.840 0.069 0.000 0.766 264 L CB -0.777 41.322 42.059 0.067 0.000 0.890 264 L HN 0.842 nan 8.230 nan 0.000 0.435 265 D N -0.758 119.709 120.400 0.111 0.000 2.370 265 D HA 0.108 4.689 4.640 -0.099 0.000 0.230 265 D C 1.262 177.633 176.300 0.118 0.000 1.143 265 D CA 0.621 54.690 54.000 0.115 0.000 0.834 265 D CB 0.204 41.091 40.800 0.145 0.000 0.944 265 D HN 0.359 nan 8.370 nan 0.000 0.504 266 G N 0.375 109.229 108.800 0.089 0.000 2.141 266 G HA2 -0.263 3.638 3.960 -0.099 0.000 0.231 266 G HA3 -0.263 3.638 3.960 -0.099 0.000 0.231 266 G C -0.145 174.772 174.900 0.028 0.000 0.984 266 G CA -0.036 45.094 45.100 0.050 0.000 0.660 266 G HN 0.683 nan 8.290 nan 0.000 0.525 267 H N 0.597 119.614 119.070 -0.089 0.000 2.552 267 H HA 0.584 5.080 4.556 -0.099 0.000 0.311 267 H C -0.169 175.043 175.328 -0.193 0.000 1.071 267 H CA -0.101 55.788 56.048 -0.265 0.000 1.307 267 H CB 1.132 30.514 29.762 -0.633 0.000 1.416 267 H HN 0.389 nan 8.280 nan 0.000 0.464 268 Q N 4.490 123.937 119.800 -0.588 0.000 2.245 268 Q HA 0.478 4.758 4.340 -0.099 0.000 0.256 268 Q C -1.182 174.507 176.000 -0.519 0.000 0.942 268 Q CA -0.887 54.658 55.803 -0.430 0.000 0.896 268 Q CB 1.594 30.171 28.738 -0.269 0.000 1.272 268 Q HN 0.558 nan 8.270 nan 0.000 0.442 269 V N -0.469 119.282 119.914 -0.270 0.000 3.040 269 V HA 0.601 4.662 4.120 -0.099 0.000 0.312 269 V C -0.672 175.385 176.094 -0.061 0.000 1.115 269 V CA -1.014 61.223 62.300 -0.104 0.000 0.998 269 V CB 1.945 33.872 31.823 0.174 0.000 1.042 269 V HN 0.851 nan 8.190 nan 0.000 0.433 270 E N 0.538 120.724 120.200 -0.024 0.000 2.319 270 E HA 0.666 4.956 4.350 -0.099 0.000 0.268 270 E C -1.434 175.213 176.600 0.079 0.000 1.050 270 E CA -0.568 55.809 56.400 -0.038 0.000 0.878 270 E CB 2.064 31.687 29.700 -0.129 0.000 1.066 270 E HN 0.581 nan 8.360 nan 0.000 0.406 271 V N 2.962 122.888 119.914 0.021 0.000 2.567 271 V HA 0.240 4.301 4.120 -0.099 0.000 0.298 271 V C -0.735 175.375 176.094 0.026 0.000 1.047 271 V CA -0.550 61.776 62.300 0.043 0.000 0.880 271 V CB 1.323 33.113 31.823 -0.055 0.000 1.009 271 V HN 0.832 nan 8.190 nan 0.000 0.429 272 C N 2.943 122.280 119.300 0.061 0.000 3.213 272 C HA 0.949 5.349 4.460 -0.099 0.000 0.319 272 C C 0.433 175.456 174.990 0.055 0.000 1.386 272 C CA -0.971 58.070 59.018 0.038 0.000 1.494 272 C CB 1.919 29.679 27.740 0.033 0.000 1.905 272 C HN 0.929 nan 8.230 nan 0.000 0.456 273 A N 1.601 124.447 122.820 0.042 0.000 2.306 273 A HA 0.667 4.927 4.320 -0.099 0.000 0.314 273 A C -0.477 177.147 177.584 0.067 0.000 1.164 273 A CA -0.227 51.842 52.037 0.053 0.000 0.822 273 A CB 0.204 19.227 19.000 0.039 0.000 1.130 273 A HN 0.861 nan 8.150 nan 0.000 0.496 274 N N 1.379 120.129 118.700 0.083 0.000 2.514 274 N HA 0.494 5.175 4.740 -0.099 0.000 0.277 274 N C -0.158 175.417 175.510 0.107 0.000 1.126 274 N CA -0.021 53.085 53.050 0.094 0.000 0.978 274 N CB 1.178 39.724 38.487 0.097 0.000 1.106 274 N HN 0.739 nan 8.380 nan 0.000 0.461 275 I N -3.159 117.484 120.570 0.123 0.000 3.145 275 I HA 0.731 4.841 4.170 -0.099 0.000 0.313 275 I C 0.465 176.741 176.117 0.265 0.000 1.122 275 I CA -0.977 60.412 61.300 0.148 0.000 0.987 275 I CB 2.173 40.196 38.000 0.038 0.000 1.236 275 I HN 0.418 nan 8.210 nan 0.000 0.453 276 G N 0.973 109.978 108.800 0.341 0.000 2.833 276 G HA2 0.392 4.292 3.960 -0.099 0.000 0.214 276 G HA3 0.392 4.292 3.960 -0.099 0.000 0.214 276 G C 0.064 175.251 174.900 0.478 0.000 1.075 276 G CA 0.211 45.641 45.100 0.550 0.000 0.799 276 G HN 0.649 nan 8.290 nan 0.000 0.541 277 T N -0.271 114.432 114.554 0.247 0.000 3.289 277 T HA 0.175 4.465 4.350 -0.099 0.000 0.370 277 T C 1.235 175.956 174.700 0.034 0.000 1.546 277 T CA -0.092 62.116 62.100 0.180 0.000 1.144 277 T CB 1.526 70.497 68.868 0.172 0.000 1.379 277 T HN 0.274 nan 8.240 nan 0.000 0.478 278 V N 2.511 122.420 119.914 -0.009 0.000 2.352 278 V HA -0.344 3.716 4.120 -0.099 0.000 0.263 278 V C 2.305 178.392 176.094 -0.012 0.000 1.103 278 V CA 1.916 64.195 62.300 -0.036 0.000 1.099 278 V CB -1.058 30.756 31.823 -0.015 0.000 0.685 278 V HN 0.854 nan 8.190 nan 0.000 0.455 279 R N 0.440 120.950 120.500 0.018 0.000 2.249 279 R HA -0.117 4.163 4.340 -0.099 0.000 0.230 279 R C 1.742 178.055 176.300 0.023 0.000 1.121 279 R CA 1.405 57.517 56.100 0.019 0.000 0.997 279 R CB -0.428 29.890 30.300 0.029 0.000 0.867 279 R HN 0.635 nan 8.270 nan 0.000 0.465 280 D N -0.278 120.139 120.400 0.029 0.000 2.348 280 D HA -0.022 4.558 4.640 -0.099 0.000 0.211 280 D C 1.692 178.000 176.300 0.013 0.000 0.998 280 D CA 0.453 54.475 54.000 0.037 0.000 0.873 280 D CB 0.287 41.128 40.800 0.068 0.000 0.925 280 D HN -0.005 nan 8.370 nan 0.000 0.524 281 V N 1.170 121.078 119.914 -0.010 0.000 2.490 281 V HA -0.195 3.865 4.120 -0.099 0.000 0.250 281 V C 2.437 178.527 176.094 -0.008 0.000 1.061 281 V CA 1.405 63.693 62.300 -0.020 0.000 1.064 281 V CB -0.265 31.536 31.823 -0.036 0.000 0.670 281 V HN 0.207 nan 8.190 nan 0.000 0.461 282 E N 0.548 120.747 120.200 -0.002 0.000 2.017 282 E HA -0.198 4.092 4.350 -0.099 0.000 0.193 282 E C 2.347 178.950 176.600 0.005 0.000 0.997 282 E CA 1.452 57.852 56.400 0.000 0.000 0.804 282 E CB -0.513 29.189 29.700 0.002 0.000 0.757 282 E HN 0.557 nan 8.360 nan 0.000 0.448 283 G N 0.711 109.518 108.800 0.012 0.000 2.503 283 G HA2 -0.322 3.579 3.960 -0.099 0.000 0.221 283 G HA3 -0.322 3.579 3.960 -0.099 0.000 0.221 283 G C 1.608 176.517 174.900 0.014 0.000 1.131 283 G CA 1.273 46.383 45.100 0.017 0.000 0.756 283 G HN 0.432 nan 8.290 nan 0.000 0.572 284 A N 0.765 123.592 122.820 0.012 0.000 1.898 284 A HA 0.024 4.284 4.320 -0.099 0.000 0.216 284 A C 2.189 179.773 177.584 0.001 0.000 1.181 284 A CA 1.863 53.905 52.037 0.009 0.000 0.620 284 A CB -0.311 18.692 19.000 0.005 0.000 0.819 284 A HN 0.471 nan 8.150 nan 0.000 0.442 285 E N -0.790 119.408 120.200 -0.003 0.000 2.107 285 E HA -0.134 4.157 4.350 -0.099 0.000 0.191 285 E C 2.268 178.865 176.600 -0.004 0.000 0.982 285 E CA 0.751 57.147 56.400 -0.006 0.000 0.809 285 E CB -0.172 29.523 29.700 -0.008 0.000 0.756 285 E HN 0.521 nan 8.360 nan 0.000 0.459 286 R N 0.863 121.363 120.500 -0.001 0.000 2.105 286 R HA -0.080 4.200 4.340 -0.099 0.000 0.239 286 R C 1.171 177.471 176.300 0.000 0.000 1.135 286 R CA 1.111 57.211 56.100 0.001 0.000 0.967 286 R CB 0.084 30.386 30.300 0.004 0.000 0.861 286 R HN 0.118 nan 8.270 nan 0.000 0.442 287 N N -1.021 117.680 118.700 0.001 0.000 2.230 287 N HA 0.060 4.740 4.740 -0.099 0.000 0.202 287 N C 0.276 175.782 175.510 -0.006 0.000 1.119 287 N CA 0.857 53.907 53.050 0.001 0.000 0.851 287 N CB 1.548 40.039 38.487 0.007 0.000 0.990 287 N HN 0.426 nan 8.380 nan 0.000 0.497 288 G N 0.799 109.594 108.800 -0.009 0.000 2.132 288 G HA2 -0.265 3.636 3.960 -0.099 0.000 0.234 288 G HA3 -0.265 3.636 3.960 -0.099 0.000 0.234 288 G C 0.301 175.190 174.900 -0.019 0.000 0.989 288 G CA 0.078 45.168 45.100 -0.015 0.000 0.676 288 G HN 0.533 nan 8.290 nan 0.000 0.522 289 A N -0.125 122.687 122.820 -0.012 0.000 2.565 289 A HA 0.490 4.751 4.320 -0.099 0.000 0.237 289 A C 1.064 178.635 177.584 -0.021 0.000 1.053 289 A CA 1.211 53.241 52.037 -0.011 0.000 0.755 289 A CB 0.161 19.160 19.000 -0.002 0.000 0.980 289 A HN 0.607 nan 8.150 nan 0.000 0.506 290 E N 1.205 121.388 120.200 -0.029 0.000 2.479 290 E HA 0.364 4.655 4.350 -0.099 0.000 0.193 290 E C 0.770 177.343 176.600 -0.046 0.000 1.049 290 E CA 0.473 56.848 56.400 -0.042 0.000 0.870 290 E CB 0.261 29.926 29.700 -0.058 0.000 0.944 290 E HN 0.966 nan 8.360 nan 0.000 0.492 291 G N -0.123 108.657 108.800 -0.033 0.000 2.327 291 G HA2 0.158 4.058 3.960 -0.099 0.000 0.291 291 G HA3 0.158 4.058 3.960 -0.099 0.000 0.291 291 G C -1.667 173.224 174.900 -0.014 0.000 1.290 291 G CA -0.920 44.161 45.100 -0.032 0.000 0.857 291 G HN -0.049 nan 8.290 nan 0.000 0.520 292 V N 0.900 120.809 119.914 -0.008 0.000 2.417 292 V HA 0.624 4.685 4.120 -0.099 0.000 0.291 292 V C 1.206 177.320 176.094 0.034 0.000 1.024 292 V CA 0.620 62.928 62.300 0.015 0.000 0.861 292 V CB 1.356 33.182 31.823 0.005 0.000 0.985 292 V HN 1.472 nan 8.190 nan 0.000 0.436 293 G N 4.038 112.872 108.800 0.058 0.000 2.887 293 G HA2 0.319 4.219 3.960 -0.099 0.000 0.211 293 G HA3 0.319 4.219 3.960 -0.099 0.000 0.211 293 G C -0.129 174.834 174.900 0.105 0.000 1.152 293 G CA 0.304 45.453 45.100 0.081 0.000 0.769 293 G HN 0.557 nan 8.290 nan 0.000 0.541 294 L N -0.823 120.461 121.223 0.101 0.000 2.710 294 L HA 0.493 4.773 4.340 -0.099 0.000 0.262 294 L C -2.376 174.579 176.870 0.143 0.000 0.940 294 L CA -1.259 53.641 54.840 0.101 0.000 0.944 294 L CB 1.600 43.700 42.059 0.069 0.000 1.348 294 L HN 0.021 nan 8.230 nan 0.000 0.425 295 Y N 5.043 125.323 120.300 -0.033 0.000 2.587 295 Y HA 0.532 5.021 4.550 -0.101 0.000 0.328 295 Y C -0.182 175.659 175.900 -0.099 0.000 0.980 295 Y CA -1.139 56.938 58.100 -0.038 0.000 1.272 295 Y CB 0.638 39.080 38.460 -0.029 0.000 1.094 295 Y HN 0.655 nan 8.280 nan 0.000 0.503 296 R N 3.685 124.176 120.500 -0.015 0.000 2.435 296 R HA 0.021 4.302 4.340 -0.099 0.000 0.325 296 R C 1.285 177.375 176.300 -0.350 0.000 1.149 296 R CA 0.807 56.706 56.100 -0.336 0.000 0.995 296 R CB 0.228 30.072 30.300 -0.760 0.000 1.008 296 R HN 0.803 nan 8.270 nan 0.000 0.470 297 T N -1.006 113.247 114.554 -0.501 0.000 2.962 297 T HA -0.111 4.180 4.350 -0.099 0.000 0.270 297 T C 1.154 175.622 174.700 -0.386 0.000 1.088 297 T CA 0.738 62.538 62.100 -0.500 0.000 1.127 297 T CB 0.092 68.633 68.868 -0.545 0.000 0.883 297 T HN 0.442 nan 8.240 nan 0.000 0.493 298 E N 1.357 121.303 120.200 -0.423 0.000 2.114 298 E HA -0.103 4.188 4.350 -0.099 0.000 0.199 298 E C 1.611 178.348 176.600 0.229 0.000 1.008 298 E CA 1.231 57.485 56.400 -0.244 0.000 0.810 298 E CB -0.664 28.983 29.700 -0.088 0.000 0.739 298 E HN 0.472 nan 8.360 nan 0.000 0.456 299 F N 0.359 120.344 119.950 0.059 0.000 2.234 299 F HA -0.057 4.408 4.527 -0.103 0.000 0.299 299 F C 2.096 178.044 175.800 0.245 0.000 1.087 299 F CA 0.492 58.582 58.000 0.150 0.000 1.340 299 F CB -0.782 38.312 39.000 0.157 0.000 1.031 299 F HN 0.094 nan 8.300 nan 0.000 0.500 300 L N -1.029 120.507 121.223 0.521 0.000 2.141 300 L HA -0.147 4.133 4.340 -0.099 0.000 0.209 300 L C 0.870 178.076 176.870 0.560 0.000 1.094 300 L CA 1.090 56.243 54.840 0.522 0.000 0.763 300 L CB -0.499 41.905 42.059 0.575 0.000 0.908 300 L HN -0.172 nan 8.230 nan 0.000 0.437 304 R N -0.015 120.611 120.500 0.210 0.000 2.799 304 R HA 0.433 4.713 4.340 -0.099 0.000 0.270 304 R C -0.836 175.463 176.300 -0.003 0.000 1.010 304 R CA -0.710 55.337 56.100 -0.089 0.000 0.916 304 R CB 1.199 31.320 30.300 -0.298 0.000 1.228 304 R HN -0.156 nan 8.270 nan 0.000 0.469 305 D N 0.180 120.464 120.400 -0.193 0.000 2.427 305 D HA 0.337 4.917 4.640 -0.099 0.000 0.224 305 D C -0.929 175.013 176.300 -0.596 0.000 1.157 305 D CA -0.041 53.876 54.000 -0.139 0.000 0.828 305 D CB 0.528 41.358 40.800 0.051 0.000 0.974 305 D HN 0.627 nan 8.370 nan 0.000 0.498 306 A N -0.343 121.881 122.820 -0.993 0.000 2.606 306 A HA 0.469 4.729 4.320 -0.099 0.000 0.293 306 A C -1.267 175.560 177.584 -1.261 0.000 1.082 306 A CA -0.734 50.617 52.037 -1.143 0.000 0.685 306 A CB 0.878 19.498 19.000 -0.634 0.000 1.284 306 A HN 0.184 nan 8.150 nan 0.000 0.408 307 L N 2.450 123.133 121.223 -0.900 0.000 2.462 307 L HA 0.297 4.577 4.340 -0.099 0.000 0.272 307 L C -1.879 174.730 176.870 -0.435 0.000 1.166 307 L CA -1.465 53.116 54.840 -0.431 0.000 0.880 307 L CB 0.965 42.940 42.059 -0.140 0.000 1.142 307 L HN 0.450 nan 8.230 nan 0.000 0.473 308 P HA 0.151 nan 4.420 nan 0.000 0.282 308 P C -0.389 176.731 177.300 -0.299 0.000 1.262 308 P CA -0.446 62.400 63.100 -0.423 0.000 0.773 308 P CB 0.806 32.224 31.700 -0.470 0.000 0.879 309 T N -0.805 113.629 114.554 -0.200 0.000 2.667 309 T HA 0.029 4.320 4.350 -0.099 0.000 0.305 309 T C 1.256 175.906 174.700 -0.084 0.000 1.022 309 T CA -0.333 61.694 62.100 -0.122 0.000 0.995 309 T CB 0.546 69.358 68.868 -0.093 0.000 1.026 309 T HN 0.488 nan 8.240 nan 0.000 0.527 310 E N 0.045 120.217 120.200 -0.046 0.000 2.070 310 E HA -0.272 4.018 4.350 -0.099 0.000 0.197 310 E C 1.998 178.611 176.600 0.021 0.000 1.004 310 E CA 1.712 58.105 56.400 -0.012 0.000 0.805 310 E CB -0.142 29.542 29.700 -0.028 0.000 0.744 310 E HN 0.743 nan 8.360 nan 0.000 0.451 311 E N 0.639 120.848 120.200 0.014 0.000 2.077 311 E HA -0.174 4.116 4.350 -0.099 0.000 0.193 311 E C 1.765 178.408 176.600 0.071 0.000 0.989 311 E CA 1.557 58.005 56.400 0.080 0.000 0.800 311 E CB 0.002 29.726 29.700 0.041 0.000 0.746 311 E HN 0.354 nan 8.360 nan 0.000 0.452 312 E N -0.191 119.991 120.200 -0.030 0.000 2.150 312 E HA -0.173 4.118 4.350 -0.099 0.000 0.193 312 E C 2.193 178.703 176.600 -0.150 0.000 0.985 312 E CA 0.902 57.256 56.400 -0.078 0.000 0.814 312 E CB -0.067 29.560 29.700 -0.122 0.000 0.752 312 E HN 0.354 nan 8.360 nan 0.000 0.466 313 Q N -0.021 119.656 119.800 -0.206 0.000 2.049 313 Q HA -0.145 4.136 4.340 -0.099 0.000 0.198 313 Q C 2.087 177.685 176.000 -0.670 0.000 0.971 313 Q CA 1.038 56.522 55.803 -0.532 0.000 0.833 313 Q CB -0.229 28.301 28.738 -0.347 0.000 0.896 313 Q HN 0.253 nan 8.270 nan 0.000 0.434 314 F N 1.619 121.388 119.950 -0.302 0.000 2.091 314 F HA -0.273 4.189 4.527 -0.109 0.000 0.299 314 F C 2.103 177.858 175.800 -0.074 0.000 1.103 314 F CA 1.585 59.541 58.000 -0.075 0.000 1.228 314 F CB -0.547 38.461 39.000 0.013 0.000 0.984 314 F HN 0.002 nan 8.300 nan 0.000 0.477 315 A N 0.378 123.036 122.820 -0.271 0.000 1.898 315 A HA 0.023 4.283 4.320 -0.099 0.000 0.216 315 A C 2.464 179.897 177.584 -0.253 0.000 1.181 315 A CA 1.855 53.681 52.037 -0.352 0.000 0.620 315 A CB -1.596 17.316 19.000 -0.146 0.000 0.819 315 A HN 0.550 nan 8.150 nan 0.000 0.442 316 A N -0.946 121.763 122.820 -0.185 0.000 1.877 316 A HA -0.072 4.189 4.320 -0.099 0.000 0.216 316 A C 2.090 179.740 177.584 0.109 0.000 1.186 316 A CA 1.677 53.686 52.037 -0.046 0.000 0.620 316 A CB -0.841 18.136 19.000 -0.039 0.000 0.822 316 A HN 0.562 nan 8.150 nan 0.000 0.443 317 Y N 0.137 120.505 120.300 0.113 0.000 2.181 317 Y HA -0.151 4.347 4.550 -0.087 0.000 0.288 317 Y C 2.313 178.223 175.900 0.017 0.000 1.146 317 Y CA 1.098 59.297 58.100 0.166 0.000 1.164 317 Y CB -0.924 37.671 38.460 0.225 0.000 0.982 317 Y HN 0.426 nan 8.280 nan 0.000 0.515 318 K N 0.459 120.831 120.400 -0.047 0.000 2.002 318 K HA -0.170 4.090 4.320 -0.099 0.000 0.209 318 K C 2.365 178.886 176.600 -0.131 0.000 1.048 318 K CA 1.442 57.596 56.287 -0.223 0.000 0.930 318 K CB -0.367 31.701 32.500 -0.721 0.000 0.714 318 K HN 0.172 nan 8.250 nan 0.000 0.438 319 A N 0.703 123.444 122.820 -0.131 0.000 1.892 319 A HA -0.163 4.098 4.320 -0.099 0.000 0.218 319 A C 2.307 179.867 177.584 -0.040 0.000 1.188 319 A CA 2.015 54.002 52.037 -0.083 0.000 0.631 319 A CB -0.899 18.062 19.000 -0.064 0.000 0.822 319 A HN 0.210 nan 8.150 nan 0.000 0.447 320 V N -0.280 119.626 119.914 -0.014 0.000 2.261 320 V HA -0.250 3.810 4.120 -0.099 0.000 0.246 320 V C 3.083 179.161 176.094 -0.026 0.000 1.047 320 V CA 2.017 64.279 62.300 -0.062 0.000 1.015 320 V CB -1.253 30.462 31.823 -0.181 0.000 0.642 320 V HN 0.646 nan 8.190 nan 0.000 0.446 321 A N -0.796 122.043 122.820 0.033 0.000 1.986 321 A HA -0.289 3.972 4.320 -0.099 0.000 0.220 321 A C 2.160 179.772 177.584 0.046 0.000 1.171 321 A CA 2.240 54.315 52.037 0.064 0.000 0.640 321 A CB -0.420 18.661 19.000 0.134 0.000 0.811 321 A HN 0.682 nan 8.150 nan 0.000 0.451 322 E N -0.998 119.216 120.200 0.023 0.000 2.140 322 E HA 0.135 4.426 4.350 -0.099 0.000 0.191 322 E C 2.120 178.719 176.600 -0.002 0.000 0.973 322 E CA 0.525 56.935 56.400 0.016 0.000 0.829 322 E CB -0.133 29.563 29.700 -0.006 0.000 0.781 322 E HN 0.577 nan 8.360 nan 0.000 0.466 323 A N 0.318 123.128 122.820 -0.018 0.000 2.172 323 A HA -0.112 4.149 4.320 -0.099 0.000 0.216 323 A C 1.945 179.517 177.584 -0.020 0.000 1.154 323 A CA 0.614 52.637 52.037 -0.023 0.000 0.701 323 A CB -0.416 18.564 19.000 -0.033 0.000 0.789 323 A HN 0.304 nan 8.150 nan 0.000 0.465 324 C N -1.654 117.636 119.300 -0.016 0.000 2.791 324 C HA 0.470 4.870 4.460 -0.099 0.000 0.270 324 C C 2.035 177.022 174.990 -0.005 0.000 1.257 324 C CA -0.131 58.879 59.018 -0.015 0.000 1.699 324 C CB -1.371 26.358 27.740 -0.018 0.000 1.904 324 C HN 0.943 nan 8.230 nan 0.000 0.603 325 G N 2.090 110.892 108.800 0.004 0.000 2.596 325 G HA2 -0.406 3.495 3.960 -0.099 0.000 0.304 325 G HA3 -0.406 3.495 3.960 -0.099 0.000 0.304 325 G C 1.288 176.195 174.900 0.011 0.000 1.189 325 G CA 1.131 46.236 45.100 0.008 0.000 0.986 325 G HN 0.854 nan 8.290 nan 0.000 0.548 326 S N 0.469 116.170 115.700 0.002 0.000 2.489 326 S HA 0.175 4.585 4.470 -0.099 0.000 0.228 326 S C 1.108 175.704 174.600 -0.007 0.000 0.995 326 S CA 1.523 59.722 58.200 -0.001 0.000 0.934 326 S CB -0.030 63.164 63.200 -0.009 0.000 0.771 326 S HN 0.796 nan 8.310 nan 0.000 0.522 327 Q N 1.161 120.954 119.800 -0.010 0.000 2.354 327 Q HA 0.588 4.869 4.340 -0.099 0.000 0.244 327 Q C -0.284 175.709 176.000 -0.013 0.000 0.969 327 Q CA -0.228 55.563 55.803 -0.020 0.000 0.885 327 Q CB 0.838 29.561 28.738 -0.024 0.000 1.241 327 Q HN 0.482 nan 8.270 nan 0.000 0.461 328 A N 1.938 124.742 122.820 -0.026 0.000 2.366 328 A HA 0.445 4.706 4.320 -0.099 0.000 0.272 328 A C -0.496 177.083 177.584 -0.008 0.000 1.135 328 A CA -0.488 51.538 52.037 -0.018 0.000 0.804 328 A CB 0.598 19.567 19.000 -0.050 0.000 1.064 328 A HN 0.474 nan 8.150 nan 0.000 0.499 329 V N 4.071 123.996 119.914 0.019 0.000 2.459 329 V HA 0.293 4.354 4.120 -0.099 0.000 0.295 329 V C -0.105 176.026 176.094 0.063 0.000 1.029 329 V CA -0.230 62.092 62.300 0.037 0.000 0.874 329 V CB 1.530 33.376 31.823 0.039 0.000 0.985 329 V HN 0.730 nan 8.190 nan 0.000 0.438 330 I N 5.316 125.931 120.570 0.075 0.000 2.287 330 I HA 0.238 4.348 4.170 -0.099 0.000 0.290 330 I C -0.223 175.960 176.117 0.110 0.000 1.069 330 I CA -0.362 60.995 61.300 0.094 0.000 1.237 330 I CB 1.166 39.226 38.000 0.099 0.000 1.418 330 I HN 0.286 nan 8.210 nan 0.000 0.481 331 V N 7.170 127.119 119.914 0.058 0.000 2.389 331 V HA 0.235 4.296 4.120 -0.099 0.000 0.264 331 V C 0.591 176.580 176.094 -0.175 0.000 1.049 331 V CA -0.459 61.805 62.300 -0.061 0.000 0.932 331 V CB 0.785 32.498 31.823 -0.182 0.000 1.011 331 V HN 0.660 nan 8.190 nan 0.000 0.475 332 R N 3.477 123.851 120.500 -0.211 0.000 2.297 332 R HA 0.414 4.694 4.340 -0.099 0.000 0.308 332 R C 0.763 176.889 176.300 -0.290 0.000 1.029 332 R CA -0.277 55.694 56.100 -0.214 0.000 0.929 332 R CB 1.190 31.402 30.300 -0.145 0.000 1.046 332 R HN 0.906 nan 8.270 nan 0.000 0.461 336 I N 1.345 121.873 120.570 -0.069 0.000 2.437 336 I HA 0.713 4.824 4.170 -0.099 0.000 0.298 336 I C 1.527 177.640 176.117 -0.008 0.000 0.984 336 I CA 0.629 61.923 61.300 -0.010 0.000 1.214 336 I CB 1.962 39.987 38.000 0.041 0.000 1.365 336 I HN 0.622 nan 8.210 nan 0.000 0.469 337 G N 3.233 112.040 108.800 0.013 0.000 2.173 337 G HA2 -0.075 3.825 3.960 -0.099 0.000 0.142 337 G HA3 -0.075 3.825 3.960 -0.099 0.000 0.142 337 G C 0.286 175.147 174.900 -0.065 0.000 1.019 337 G CA -0.132 44.975 45.100 0.012 0.000 0.699 337 G HN 1.061 nan 8.290 nan 0.000 0.495 338 G N 0.801 109.497 108.800 -0.175 0.000 3.198 338 G HA2 0.440 4.340 3.960 -0.099 0.000 0.203 338 G HA3 0.440 4.340 3.960 -0.099 0.000 0.203 338 G C 0.952 175.411 174.900 -0.736 0.000 1.950 338 G CA 0.974 45.686 45.100 -0.647 0.000 0.798 338 G HN 0.443 nan 8.290 nan 0.000 0.720 339 D N 0.517 120.339 120.400 -0.964 0.000 2.363 339 D HA -0.027 4.554 4.640 -0.099 0.000 0.226 339 D C 0.447 176.671 176.300 -0.126 0.000 1.020 339 D CA 0.265 54.032 54.000 -0.389 0.000 0.892 339 D CB -0.248 40.452 40.800 -0.168 0.000 0.900 339 D HN 0.525 nan 8.370 nan 0.000 0.531 340 K N 0.906 121.259 120.400 -0.079 0.000 2.499 340 K HA 0.419 4.680 4.320 -0.099 0.000 0.215 340 K C -0.655 175.949 176.600 0.005 0.000 1.041 340 K CA -0.606 55.691 56.287 0.017 0.000 1.031 340 K CB 0.976 33.551 32.500 0.126 0.000 1.479 340 K HN -0.103 nan 8.250 nan 0.000 0.518 341 E N 1.919 122.110 120.200 -0.014 0.000 2.349 341 E HA 0.182 4.473 4.350 -0.099 0.000 0.265 341 E C -0.564 175.998 176.600 -0.064 0.000 1.064 341 E CA -0.967 55.429 56.400 -0.007 0.000 0.886 341 E CB 0.772 30.472 29.700 -0.000 0.000 1.036 341 E HN 0.385 nan 8.360 nan 0.000 0.413 342 L N 1.367 122.500 121.223 -0.150 0.000 2.277 342 L HA 0.410 4.690 4.340 -0.099 0.000 0.284 342 L C -2.202 174.425 176.870 -0.404 0.000 1.028 342 L CA -2.222 52.404 54.840 -0.356 0.000 0.835 342 L CB 0.401 42.076 42.059 -0.640 0.000 1.215 342 L HN 0.286 nan 8.230 nan 0.000 0.425 343 P HA -0.208 nan 4.420 nan 0.000 0.218 343 P C 0.298 177.529 177.300 -0.114 0.000 1.154 343 P CA 1.601 64.625 63.100 -0.126 0.000 0.872 343 P CB -0.267 31.407 31.700 -0.044 0.000 0.790 347 F N 2.682 122.681 119.950 0.083 0.000 2.589 347 F HA 0.182 4.652 4.527 -0.095 0.000 0.352 347 F C -0.987 174.842 175.800 0.050 0.000 1.168 347 F CA -0.969 57.099 58.000 0.113 0.000 1.353 347 F CB -0.536 38.599 39.000 0.226 0.000 1.116 347 F HN 0.045 nan 8.300 nan 0.000 0.608 348 P HA 0.118 nan 4.420 nan 0.000 0.274 348 P C -0.560 176.789 177.300 0.081 0.000 1.237 348 P CA -0.566 62.586 63.100 0.087 0.000 0.793 348 P CB 0.626 32.325 31.700 -0.001 0.000 0.977 349 K N 1.335 121.763 120.400 0.046 0.000 2.319 349 K HA 0.231 4.492 4.320 -0.099 0.000 0.265 349 K C 0.412 177.025 176.600 0.021 0.000 1.000 349 K CA 0.165 56.474 56.287 0.037 0.000 0.943 349 K CB 0.240 32.753 32.500 0.022 0.000 0.950 349 K HN 0.488 nan 8.250 nan 0.000 0.485 350 E N 1.015 121.230 120.200 0.025 0.000 2.288 350 E HA 0.135 4.425 4.350 -0.099 0.000 0.268 350 E C 0.335 176.947 176.600 0.020 0.000 0.885 350 E CA -0.743 55.669 56.400 0.020 0.000 0.767 350 E CB 1.637 31.360 29.700 0.038 0.000 1.220 350 E HN 0.315 nan 8.360 nan 0.000 0.427 351 E N 0.986 121.198 120.200 0.019 0.000 2.106 351 E HA -0.056 4.235 4.350 -0.099 0.000 0.192 351 E C -0.252 176.371 176.600 0.038 0.000 0.984 351 E CA 1.048 57.462 56.400 0.024 0.000 0.806 351 E CB 0.151 29.863 29.700 0.020 0.000 0.750 351 E HN 0.383 nan 8.360 nan 0.000 0.458 352 N N 0.287 119.018 118.700 0.052 0.000 2.690 352 N HA 0.137 4.817 4.740 -0.099 0.000 0.255 352 N C -2.345 173.219 175.510 0.089 0.000 1.195 352 N CA -1.049 52.051 53.050 0.083 0.000 0.790 352 N CB 1.949 40.503 38.487 0.111 0.000 1.216 352 N HN -0.119 nan 8.380 nan 0.000 0.528 353 P HA -0.101 nan 4.420 nan 0.000 0.216 353 P C 1.147 178.475 177.300 0.046 0.000 1.150 353 P CA 1.052 64.144 63.100 -0.012 0.000 0.843 353 P CB 0.109 31.724 31.700 -0.141 0.000 0.787 354 F N -1.135 118.877 119.950 0.103 0.000 2.451 354 F HA 0.008 4.476 4.527 -0.098 0.000 0.299 354 F C 1.729 177.665 175.800 0.226 0.000 1.101 354 F CA 0.944 59.035 58.000 0.152 0.000 1.436 354 F CB -0.760 38.313 39.000 0.123 0.000 1.074 354 F HN -0.158 nan 8.300 nan 0.000 0.553 355 L N -1.295 120.130 121.223 0.338 0.000 2.928 355 L HA 0.365 4.645 4.340 -0.099 0.000 0.246 355 L C 1.113 178.055 176.870 0.120 0.000 1.239 355 L CA -0.263 54.694 54.840 0.195 0.000 1.035 355 L CB -0.451 41.700 42.059 0.154 0.000 1.360 355 L HN 0.025 nan 8.230 nan 0.000 0.529 356 G N -1.388 107.495 108.800 0.138 0.000 3.175 356 G HA2 0.105 4.006 3.960 -0.099 0.000 0.153 356 G HA3 0.105 4.006 3.960 -0.099 0.000 0.153 356 G C -1.771 173.226 174.900 0.162 0.000 1.216 356 G CA -0.477 44.700 45.100 0.129 0.000 0.943 356 G HN 0.136 nan 8.290 nan 0.000 0.611 357 W N 2.347 123.616 121.300 -0.051 0.000 1.912 357 W HA 0.617 5.216 4.660 -0.103 0.000 0.399 357 W C 0.485 176.951 176.519 -0.088 0.000 0.800 357 W CA -1.025 56.265 57.345 -0.092 0.000 1.593 357 W CB -0.202 29.168 29.460 -0.151 0.000 1.769 357 W HN 0.175 nan 8.180 nan 0.000 0.281 358 R N 3.875 124.305 120.500 -0.117 0.000 2.562 358 R HA 0.623 4.903 4.340 -0.099 0.000 0.298 358 R C 0.817 177.001 176.300 -0.194 0.000 0.961 358 R CA 0.473 56.499 56.100 -0.123 0.000 0.881 358 R CB 1.581 31.897 30.300 0.027 0.000 1.159 358 R HN 0.544 nan 8.270 nan 0.000 0.450 359 A N 3.390 126.097 122.820 -0.188 0.000 5.122 359 A HA -0.341 3.920 4.320 -0.099 0.000 0.315 359 A C 1.050 178.522 177.584 -0.188 0.000 1.926 359 A CA 1.269 53.220 52.037 -0.144 0.000 0.712 359 A CB -1.680 17.280 19.000 -0.067 0.000 1.325 359 A HN 0.738 nan 8.150 nan 0.000 0.371 360 I N 1.343 121.834 120.570 -0.131 0.000 2.614 360 I HA -0.112 3.999 4.170 -0.099 0.000 0.258 360 I C 2.456 178.463 176.117 -0.183 0.000 1.189 360 I CA 1.909 63.134 61.300 -0.126 0.000 1.462 360 I CB -0.309 37.634 38.000 -0.096 0.000 1.092 360 I HN 0.493 nan 8.210 nan 0.000 0.442 361 R N -0.295 120.061 120.500 -0.240 0.000 2.189 361 R HA -0.024 4.257 4.340 -0.099 0.000 0.218 361 R C 2.064 178.078 176.300 -0.476 0.000 1.074 361 R CA 1.184 57.130 56.100 -0.257 0.000 0.991 361 R CB -0.223 29.958 30.300 -0.198 0.000 0.883 361 R HN 0.371 nan 8.270 nan 0.000 0.457 362 I N 0.565 120.683 120.570 -0.752 0.000 2.296 362 I HA -0.028 4.082 4.170 -0.099 0.000 0.242 362 I C 1.496 177.420 176.117 -0.321 0.000 1.087 362 I CA 0.103 60.831 61.300 -0.954 0.000 1.393 362 I CB -0.422 36.938 38.000 -1.066 0.000 1.093 362 I HN 0.068 nan 8.210 nan 0.000 0.421 366 R N 1.214 121.788 120.500 0.125 0.000 2.855 366 R HA 0.352 4.632 4.340 -0.099 0.000 0.261 366 R C 0.742 177.104 176.300 0.103 0.000 1.826 366 R CA -0.462 55.719 56.100 0.134 0.000 1.435 366 R CB 1.247 31.656 30.300 0.181 0.000 1.383 366 R HN -0.141 nan 8.270 nan 0.000 0.583 367 R N 1.275 121.834 120.500 0.098 0.000 2.117 367 R HA -0.207 4.074 4.340 -0.099 0.000 0.243 367 R C 0.859 177.210 176.300 0.085 0.000 1.143 367 R CA 2.051 58.214 56.100 0.106 0.000 0.968 367 R CB 0.183 30.558 30.300 0.125 0.000 0.863 367 R HN 0.459 nan 8.270 nan 0.000 0.444 368 E N 0.478 120.723 120.200 0.074 0.000 2.208 368 E HA -0.213 4.077 4.350 -0.099 0.000 0.202 368 E C 1.844 178.466 176.600 0.037 0.000 1.014 368 E CA 1.330 57.757 56.400 0.046 0.000 0.819 368 E CB -0.425 29.307 29.700 0.053 0.000 0.735 368 E HN 0.426 nan 8.360 nan 0.000 0.469 369 I N -0.233 120.382 120.570 0.074 0.000 2.206 369 I HA -0.165 3.945 4.170 -0.099 0.000 0.239 369 I C 2.188 178.358 176.117 0.088 0.000 1.078 369 I CA 0.472 61.834 61.300 0.104 0.000 1.367 369 I CB -0.163 37.921 38.000 0.140 0.000 1.078 369 I HN 0.110 nan 8.210 nan 0.000 0.413 370 L N 1.195 122.464 121.223 0.076 0.000 2.043 370 L HA -0.255 4.026 4.340 -0.099 0.000 0.212 370 L C 2.637 179.486 176.870 -0.035 0.000 1.075 370 L CA 1.914 56.802 54.840 0.081 0.000 0.752 370 L CB -0.658 41.474 42.059 0.122 0.000 0.891 370 L HN 0.118 nan 8.230 nan 0.000 0.432 371 R N -0.830 119.570 120.500 -0.167 0.000 2.062 371 R HA -0.155 4.126 4.340 -0.099 0.000 0.231 371 R C 1.994 178.037 176.300 -0.428 0.000 1.136 371 R CA 1.732 57.442 56.100 -0.650 0.000 0.948 371 R CB -0.382 29.631 30.300 -0.477 0.000 0.845 371 R HN 0.383 nan 8.270 nan 0.000 0.430 372 D N 0.389 120.686 120.400 -0.171 0.000 2.106 372 D HA -0.256 4.324 4.640 -0.099 0.000 0.191 372 D C 1.839 178.134 176.300 -0.008 0.000 0.997 372 D CA 1.521 55.476 54.000 -0.075 0.000 0.834 372 D CB -0.322 40.469 40.800 -0.014 0.000 0.956 372 D HN 0.404 nan 8.370 nan 0.000 0.448 373 Q N -0.022 119.813 119.800 0.059 0.000 2.020 373 Q HA -0.105 4.175 4.340 -0.099 0.000 0.202 373 Q C 2.488 178.573 176.000 0.143 0.000 0.982 373 Q CA 0.911 56.829 55.803 0.192 0.000 0.838 373 Q CB -0.182 28.699 28.738 0.238 0.000 0.899 373 Q HN 0.255 nan 8.270 nan 0.000 0.423 374 L N 0.165 121.408 121.223 0.033 0.000 2.017 374 L HA -0.221 4.059 4.340 -0.099 0.000 0.208 374 L C 2.765 179.646 176.870 0.017 0.000 1.073 374 L CA 1.321 56.187 54.840 0.044 0.000 0.745 374 L CB -0.460 41.672 42.059 0.122 0.000 0.894 374 L HN 0.257 nan 8.230 nan 0.000 0.432 375 R N -0.193 120.245 120.500 -0.104 0.000 2.136 375 R HA -0.286 3.995 4.340 -0.099 0.000 0.242 375 R C 2.360 178.698 176.300 0.063 0.000 1.131 375 R CA 1.964 58.026 56.100 -0.064 0.000 0.937 375 R CB -0.745 29.473 30.300 -0.137 0.000 0.863 375 R HN 0.426 nan 8.270 nan 0.000 0.435 376 A N 0.962 123.870 122.820 0.146 0.000 1.892 376 A HA -0.197 4.064 4.320 -0.099 0.000 0.218 376 A C 2.200 180.101 177.584 0.528 0.000 1.188 376 A CA 1.641 53.883 52.037 0.341 0.000 0.631 376 A CB -0.630 18.584 19.000 0.356 0.000 0.822 376 A HN 0.276 nan 8.150 nan 0.000 0.447 377 I N -0.607 120.206 120.570 0.404 0.000 2.113 377 I HA -0.284 3.826 4.170 -0.099 0.000 0.238 377 I C 2.469 178.740 176.117 0.257 0.000 1.070 377 I CA 1.385 62.840 61.300 0.258 0.000 1.332 377 I CB -0.539 37.461 38.000 -0.001 0.000 1.044 377 I HN 0.290 nan 8.210 nan 0.000 0.402 378 L N 0.320 121.642 121.223 0.165 0.000 2.021 378 L HA -0.270 4.010 4.340 -0.099 0.000 0.215 378 L C 2.826 179.863 176.870 0.279 0.000 1.074 378 L CA 1.731 56.655 54.840 0.141 0.000 0.760 378 L CB -0.604 41.413 42.059 -0.071 0.000 0.889 378 L HN 0.173 nan 8.230 nan 0.000 0.433 379 R N -0.507 120.165 120.500 0.287 0.000 2.096 379 R HA -0.120 4.161 4.340 -0.099 0.000 0.235 379 R C 2.366 179.097 176.300 0.718 0.000 1.127 379 R CA 1.226 57.528 56.100 0.337 0.000 0.968 379 R CB -0.512 29.760 30.300 -0.047 0.000 0.861 379 R HN 0.383 nan 8.270 nan 0.000 0.440 380 A N 1.016 124.330 122.820 0.823 0.000 2.070 380 A HA -0.152 4.108 4.320 -0.099 0.000 0.220 380 A C 2.076 179.978 177.584 0.531 0.000 1.159 380 A CA 1.650 54.135 52.037 0.748 0.000 0.656 380 A CB -0.469 18.858 19.000 0.547 0.000 0.800 380 A HN 0.421 nan 8.150 nan 0.000 0.453 381 S N -0.291 115.629 115.700 0.367 0.000 2.547 381 S HA 0.210 4.620 4.470 -0.099 0.000 0.235 381 S C 1.589 176.268 174.600 0.131 0.000 0.980 381 S CA 0.853 59.194 58.200 0.234 0.000 0.941 381 S CB -0.408 62.917 63.200 0.209 0.000 0.763 381 S HN 0.819 nan 8.310 nan 0.000 0.532 382 A N -0.136 122.716 122.820 0.053 0.000 2.235 382 A HA 0.427 4.688 4.320 -0.099 0.000 0.208 382 A C 0.928 178.126 177.584 -0.644 0.000 1.172 382 A CA 0.234 52.070 52.037 -0.335 0.000 0.786 382 A CB -0.603 18.084 19.000 -0.522 0.000 0.804 382 A HN 0.613 nan 8.150 nan 0.000 0.479 383 F N -1.582 118.447 119.950 0.132 0.000 2.798 383 F HA 0.464 4.932 4.527 -0.098 0.000 0.328 383 F C 0.955 176.792 175.800 0.061 0.000 1.098 383 F CA 0.212 58.265 58.000 0.088 0.000 1.172 383 F CB 0.913 39.956 39.000 0.071 0.000 1.072 383 F HN 0.247 nan 8.300 nan 0.000 0.555 384 G N 0.239 109.143 108.800 0.174 0.000 2.355 384 G HA2 0.283 4.183 3.960 -0.099 0.000 0.296 384 G HA3 0.283 4.183 3.960 -0.099 0.000 0.296 384 G C -1.777 173.180 174.900 0.096 0.000 1.507 384 G CA -1.266 43.906 45.100 0.120 0.000 0.823 384 G HN -0.117 nan 8.290 nan 0.000 0.569 385 K N 0.633 121.072 120.400 0.064 0.000 2.382 385 K HA 0.478 4.739 4.320 -0.099 0.000 0.286 385 K C 0.000 176.640 176.600 0.066 0.000 1.062 385 K CA 0.161 56.481 56.287 0.055 0.000 1.000 385 K CB -0.169 32.347 32.500 0.027 0.000 0.954 385 K HN 0.361 nan 8.250 nan 0.000 0.470 386 L N 4.536 125.811 121.223 0.087 0.000 2.342 386 L HA 0.585 4.866 4.340 -0.099 0.000 0.271 386 L C 0.201 177.126 176.870 0.091 0.000 1.008 386 L CA -1.132 53.762 54.840 0.089 0.000 0.818 386 L CB 2.099 44.225 42.059 0.111 0.000 1.296 386 L HN 0.545 nan 8.230 nan 0.000 0.427 387 R N 1.392 121.946 120.500 0.090 0.000 2.832 387 R HA 0.725 5.006 4.340 -0.099 0.000 0.271 387 R C -0.888 175.473 176.300 0.103 0.000 0.996 387 R CA -0.771 55.415 56.100 0.143 0.000 0.977 387 R CB 2.454 32.857 30.300 0.172 0.000 1.168 387 R HN 0.446 nan 8.270 nan 0.000 0.482 394 I N 3.314 123.826 120.570 -0.097 0.000 4.592 394 I HA 0.107 4.217 4.170 -0.099 0.000 0.329 394 I C 0.466 176.530 176.117 -0.087 0.000 1.309 394 I CA 0.613 61.852 61.300 -0.101 0.000 1.243 394 I CB 0.718 38.652 38.000 -0.110 0.000 1.241 394 I HN 0.662 nan 8.210 nan 0.000 0.434 395 S N -2.015 113.634 115.700 -0.084 0.000 2.579 395 S HA 0.410 4.821 4.470 -0.099 0.000 0.272 395 S C 0.471 175.028 174.600 -0.073 0.000 1.141 395 S CA -0.595 57.560 58.200 -0.075 0.000 0.843 395 S CB 1.619 64.772 63.200 -0.078 0.000 1.122 395 S HN -0.225 nan 8.310 nan 0.000 0.468 396 V N 1.455 121.328 119.914 -0.068 0.000 2.427 396 V HA -0.120 3.941 4.120 -0.099 0.000 0.248 396 V C 2.486 178.531 176.094 -0.082 0.000 1.051 396 V CA 2.358 64.619 62.300 -0.066 0.000 1.048 396 V CB -1.269 30.505 31.823 -0.083 0.000 0.666 396 V HN 0.949 nan 8.190 nan 0.000 0.456 397 E N 0.341 120.489 120.200 -0.088 0.000 2.068 397 E HA -0.289 4.001 4.350 -0.099 0.000 0.207 397 E C 2.184 178.722 176.600 -0.103 0.000 1.032 397 E CA 2.143 58.491 56.400 -0.088 0.000 0.839 397 E CB -0.277 29.375 29.700 -0.079 0.000 0.758 397 E HN 0.670 nan 8.360 nan 0.000 0.457 398 E N -0.162 119.970 120.200 -0.114 0.000 2.049 398 E HA -0.220 4.070 4.350 -0.099 0.000 0.198 398 E C 2.183 178.661 176.600 -0.205 0.000 1.007 398 E CA 1.689 57.997 56.400 -0.153 0.000 0.809 398 E CB -0.149 29.460 29.700 -0.152 0.000 0.749 398 E HN 0.099 nan 8.360 nan 0.000 0.450 399 V N 1.036 120.845 119.914 -0.174 0.000 2.287 399 V HA -0.301 3.759 4.120 -0.099 0.000 0.248 399 V C 2.231 178.232 176.094 -0.155 0.000 1.053 399 V CA 2.092 64.284 62.300 -0.181 0.000 1.027 399 V CB -0.596 31.177 31.823 -0.083 0.000 0.646 399 V HN 0.191 nan 8.190 nan 0.000 0.447 400 R N 0.253 120.686 120.500 -0.112 0.000 2.120 400 R HA -0.065 4.216 4.340 -0.099 0.000 0.234 400 R C 2.388 178.622 176.300 -0.111 0.000 1.123 400 R CA 1.392 57.437 56.100 -0.092 0.000 0.975 400 R CB -0.566 29.690 30.300 -0.073 0.000 0.866 400 R HN 0.556 nan 8.270 nan 0.000 0.446 401 A N 0.592 123.332 122.820 -0.133 0.000 2.014 401 A HA -0.048 4.212 4.320 -0.099 0.000 0.218 401 A C 2.014 179.502 177.584 -0.160 0.000 1.163 401 A CA 0.950 52.910 52.037 -0.130 0.000 0.652 401 A CB -0.211 18.717 19.000 -0.119 0.000 0.808 401 A HN 0.170 nan 8.150 nan 0.000 0.449 402 L N -1.424 119.657 121.223 -0.236 0.000 2.162 402 L HA -0.021 4.259 4.340 -0.099 0.000 0.205 402 L C 2.724 179.511 176.870 -0.137 0.000 1.086 402 L CA 0.385 55.043 54.840 -0.302 0.000 0.778 402 L CB -0.371 41.204 42.059 -0.807 0.000 0.928 402 L HN 0.211 nan 8.230 nan 0.000 0.446 403 R N 0.536 120.978 120.500 -0.098 0.000 2.081 403 R HA -0.138 4.143 4.340 -0.099 0.000 0.235 403 R C 2.177 178.447 176.300 -0.050 0.000 1.131 403 R CA 1.137 57.230 56.100 -0.011 0.000 0.960 403 R CB -0.392 29.900 30.300 -0.013 0.000 0.856 403 R HN 0.341 nan 8.270 nan 0.000 0.436 404 K N 0.583 120.931 120.400 -0.087 0.000 2.057 404 K HA -0.184 4.076 4.320 -0.099 0.000 0.207 404 K C 1.989 178.480 176.600 -0.182 0.000 1.049 404 K CA 1.282 57.503 56.287 -0.110 0.000 0.931 404 K CB 0.003 32.441 32.500 -0.105 0.000 0.714 404 K HN -0.015 nan 8.250 nan 0.000 0.440 405 E N 1.058 121.133 120.200 -0.209 0.000 2.038 405 E HA -0.160 4.131 4.350 -0.099 0.000 0.195 405 E C 1.853 178.169 176.600 -0.474 0.000 1.000 405 E CA 1.185 57.349 56.400 -0.393 0.000 0.803 405 E CB -0.248 29.344 29.700 -0.180 0.000 0.750 405 E HN 0.221 nan 8.360 nan 0.000 0.448 406 I N 0.957 121.470 120.570 -0.095 0.000 2.087 406 I HA -0.337 3.773 4.170 -0.099 0.000 0.240 406 I C 2.220 178.279 176.117 -0.098 0.000 1.054 406 I CA 1.510 62.822 61.300 0.020 0.000 1.311 406 I CB -0.349 37.709 38.000 0.097 0.000 1.024 406 I HN 0.134 nan 8.210 nan 0.000 0.402 407 E N 0.593 120.731 120.200 -0.103 0.000 2.130 407 E HA -0.218 4.073 4.350 -0.099 0.000 0.196 407 E C 2.176 178.703 176.600 -0.121 0.000 0.998 407 E CA 1.397 57.746 56.400 -0.086 0.000 0.806 407 E CB -0.356 29.309 29.700 -0.058 0.000 0.738 407 E HN 0.579 nan 8.360 nan 0.000 0.459 408 I N -0.021 120.405 120.570 -0.240 0.000 2.163 408 I HA -0.274 3.836 4.170 -0.099 0.000 0.240 408 I C 2.128 178.159 176.117 -0.143 0.000 1.081 408 I CA 1.011 62.164 61.300 -0.245 0.000 1.353 408 I CB -0.409 37.358 38.000 -0.390 0.000 1.054 408 I HN 0.064 nan 8.210 nan 0.000 0.407 409 Y N 1.334 121.607 120.300 -0.045 0.000 2.333 409 Y HA -0.183 4.313 4.550 -0.090 0.000 0.290 409 Y C 2.465 178.274 175.900 -0.150 0.000 1.144 409 Y CA 0.722 58.780 58.100 -0.070 0.000 1.228 409 Y CB -0.971 37.453 38.460 -0.060 0.000 0.985 409 Y HN 0.103 nan 8.280 nan 0.000 0.542 410 K N -0.507 119.836 120.400 -0.094 0.000 2.057 410 K HA -0.189 4.071 4.320 -0.099 0.000 0.206 410 K C 2.201 178.790 176.600 -0.018 0.000 1.050 410 K CA 1.165 57.251 56.287 -0.335 0.000 0.935 410 K CB -0.090 32.253 32.500 -0.261 0.000 0.715 410 K HN 0.157 nan 8.250 nan 0.000 0.439 411 Q N 1.206 121.035 119.800 0.048 0.000 2.046 411 Q HA -0.156 4.125 4.340 -0.099 0.000 0.200 411 Q C 1.772 177.837 176.000 0.108 0.000 0.975 411 Q CA 1.542 57.406 55.803 0.101 0.000 0.836 411 Q CB -0.059 28.711 28.738 0.054 0.000 0.896 411 Q HN 0.359 nan 8.270 nan 0.000 0.428 412 E N 0.177 120.430 120.200 0.088 0.000 2.049 412 E HA -0.208 4.083 4.350 -0.099 0.000 0.198 412 E C 2.231 178.894 176.600 0.104 0.000 1.007 412 E CA 1.268 57.723 56.400 0.092 0.000 0.809 412 E CB -0.286 29.480 29.700 0.109 0.000 0.749 412 E HN 0.267 nan 8.360 nan 0.000 0.450 413 L N 0.542 121.837 121.223 0.120 0.000 1.971 413 L HA -0.262 4.019 4.340 -0.099 0.000 0.215 413 L C 2.696 179.709 176.870 0.237 0.000 1.072 413 L CA 1.487 56.435 54.840 0.181 0.000 0.758 413 L CB -0.573 41.623 42.059 0.227 0.000 0.889 413 L HN 0.105 nan 8.230 nan 0.000 0.433 414 R N -0.017 120.685 120.500 0.337 0.000 2.140 414 R HA -0.226 4.054 4.340 -0.099 0.000 0.250 414 R C 1.786 178.150 176.300 0.107 0.000 1.150 414 R CA 2.030 58.251 56.100 0.202 0.000 0.966 414 R CB -0.466 29.955 30.300 0.203 0.000 0.869 414 R HN 0.432 nan 8.270 nan 0.000 0.445 415 D N -0.309 120.150 120.400 0.099 0.000 2.277 415 D HA -0.066 4.515 4.640 -0.099 0.000 0.208 415 D C 0.856 177.187 176.300 0.052 0.000 0.962 415 D CA 0.919 54.957 54.000 0.064 0.000 0.865 415 D CB 0.103 40.938 40.800 0.058 0.000 0.939 415 D HN 0.393 nan 8.370 nan 0.000 0.510 416 E N -0.283 119.953 120.200 0.060 0.000 2.463 416 E HA 0.273 4.564 4.350 -0.099 0.000 0.193 416 E C 0.727 177.350 176.600 0.039 0.000 1.041 416 E CA 0.037 56.462 56.400 0.043 0.000 0.879 416 E CB 0.586 30.309 29.700 0.038 0.000 0.997 416 E HN 0.114 nan 8.360 nan 0.000 0.478 417 G N 2.639 111.465 108.800 0.044 0.000 2.298 417 G HA2 -0.306 3.595 3.960 -0.099 0.000 0.287 417 G HA3 -0.306 3.595 3.960 -0.099 0.000 0.287 417 G C -0.254 174.665 174.900 0.033 0.000 1.075 417 G CA 0.214 45.332 45.100 0.030 0.000 0.960 417 G HN 0.122 nan 8.290 nan 0.000 0.502 418 K N 0.214 120.648 120.400 0.056 0.000 2.483 418 K HA 0.633 4.894 4.320 -0.099 0.000 0.256 418 K C 0.606 177.265 176.600 0.098 0.000 0.961 418 K CA -0.143 56.186 56.287 0.070 0.000 0.873 418 K CB 1.700 34.242 32.500 0.070 0.000 1.107 418 K HN 0.584 nan 8.250 nan 0.000 0.432 419 A N 3.431 126.261 122.820 0.017 0.000 2.483 419 A HA 0.428 4.689 4.320 -0.099 0.000 0.238 419 A C -0.315 177.307 177.584 0.063 0.000 1.070 419 A CA 0.318 52.305 52.037 -0.082 0.000 0.770 419 A CB -0.343 18.578 19.000 -0.131 0.000 1.008 419 A HN 0.665 nan 8.150 nan 0.000 0.497 420 F N -0.627 119.317 119.950 -0.009 0.000 2.654 420 F HA 0.532 5.000 4.527 -0.099 0.000 0.308 420 F C -0.744 175.061 175.800 0.008 0.000 1.108 420 F CA -1.741 56.269 58.000 0.017 0.000 0.957 420 F CB 1.039 40.071 39.000 0.054 0.000 1.309 420 F HN 0.429 nan 8.300 nan 0.000 0.446 421 D N 2.226 122.756 120.400 0.217 0.000 2.363 421 D HA 0.055 4.635 4.640 -0.099 0.000 0.263 421 D C 0.850 177.277 176.300 0.212 0.000 1.258 421 D CA 0.430 54.499 54.000 0.115 0.000 0.907 421 D CB 0.838 41.712 40.800 0.123 0.000 1.107 421 D HN 0.615 nan 8.370 nan 0.000 0.495 422 E N 1.902 122.133 120.200 0.052 0.000 2.338 422 E HA -0.087 4.204 4.350 -0.099 0.000 0.197 422 E C 1.068 177.753 176.600 0.142 0.000 1.007 422 E CA 0.373 56.850 56.400 0.128 0.000 0.849 422 E CB 0.156 29.851 29.700 -0.008 0.000 0.774 422 E HN 0.315 nan 8.360 nan 0.000 0.506 423 S N 0.637 116.401 115.700 0.105 0.000 2.603 423 S HA 0.092 4.502 4.470 -0.099 0.000 0.220 423 S C 0.852 175.522 174.600 0.117 0.000 0.967 423 S CA -0.294 57.962 58.200 0.094 0.000 0.920 423 S CB -0.163 63.078 63.200 0.068 0.000 0.773 423 S HN 0.252 nan 8.310 nan 0.000 0.529 424 I N 2.693 123.352 120.570 0.148 0.000 2.618 424 I HA 0.029 4.140 4.170 -0.099 0.000 0.284 424 I C -0.124 176.077 176.117 0.140 0.000 1.146 424 I CA -0.031 61.356 61.300 0.145 0.000 1.425 424 I CB 0.527 38.620 38.000 0.156 0.000 1.383 424 I HN 0.163 nan 8.210 nan 0.000 0.562 425 E N 7.753 128.055 120.200 0.169 0.000 2.277 425 E HA 0.512 4.803 4.350 -0.099 0.000 0.274 425 E C -0.913 175.831 176.600 0.240 0.000 1.022 425 E CA -0.579 55.953 56.400 0.220 0.000 0.853 425 E CB 1.906 31.793 29.700 0.311 0.000 1.086 425 E HN 0.512 nan 8.360 nan 0.000 0.397 426 I N 1.417 122.060 120.570 0.122 0.000 2.465 426 I HA 0.555 4.666 4.170 -0.099 0.000 0.291 426 I C 0.303 176.159 176.117 -0.435 0.000 1.014 426 I CA -0.625 60.633 61.300 -0.070 0.000 1.093 426 I CB 1.971 39.964 38.000 -0.011 0.000 1.267 426 I HN 0.611 nan 8.210 nan 0.000 0.431 427 G N 4.392 112.652 108.800 -0.900 0.000 2.921 427 G HA2 0.830 4.731 3.960 -0.099 0.000 0.291 427 G HA3 0.830 4.731 3.960 -0.099 0.000 0.291 427 G C -1.007 173.528 174.900 -0.607 0.000 1.370 427 G CA -0.520 43.746 45.100 -1.390 0.000 0.847 427 G HN 0.561 nan 8.290 nan 0.000 0.532 431 E N 1.252 121.414 120.200 -0.064 0.000 2.753 431 E HA 0.271 4.561 4.350 -0.099 0.000 0.218 431 E C 0.060 176.711 176.600 0.085 0.000 0.956 431 E CA -0.253 56.149 56.400 0.004 0.000 1.244 431 E CB 1.487 31.205 29.700 0.029 0.000 1.114 431 E HN 0.463 nan 8.360 nan 0.000 0.530 432 T N 2.101 116.664 114.554 0.014 0.000 2.856 432 T HA 0.298 4.589 4.350 -0.099 0.000 0.283 432 T C -2.216 172.463 174.700 -0.036 0.000 1.008 432 T CA -2.028 60.070 62.100 -0.003 0.000 0.997 432 T CB 1.980 70.787 68.868 -0.102 0.000 0.992 432 T HN -0.158 nan 8.240 nan 0.000 0.454 433 P HA 0.020 nan 4.420 nan 0.000 0.221 433 P C 1.222 178.485 177.300 -0.062 0.000 1.150 433 P CA 0.530 63.610 63.100 -0.034 0.000 0.800 433 P CB 0.116 31.811 31.700 -0.008 0.000 0.787 434 A N 0.793 123.567 122.820 -0.077 0.000 1.849 434 A HA -0.195 4.066 4.320 -0.099 0.000 0.217 434 A C 2.401 179.932 177.584 -0.088 0.000 1.202 434 A CA 2.605 54.594 52.037 -0.079 0.000 0.629 434 A CB -1.726 17.220 19.000 -0.092 0.000 0.834 434 A HN 0.195 nan 8.150 nan 0.000 0.447 435 A N -0.365 122.388 122.820 -0.112 0.000 1.917 435 A HA 0.046 4.306 4.320 -0.099 0.000 0.219 435 A C 2.536 180.007 177.584 -0.188 0.000 1.182 435 A CA 2.674 54.618 52.037 -0.155 0.000 0.633 435 A CB -1.165 17.719 19.000 -0.192 0.000 0.819 435 A HN 1.252 nan 8.150 nan 0.000 0.448 436 A N -1.217 121.505 122.820 -0.164 0.000 1.902 436 A HA -0.097 4.163 4.320 -0.099 0.000 0.217 436 A C 2.293 179.807 177.584 -0.117 0.000 1.181 436 A CA 2.315 54.254 52.037 -0.164 0.000 0.623 436 A CB -1.287 17.641 19.000 -0.120 0.000 0.818 436 A HN 0.451 nan 8.150 nan 0.000 0.443 437 T N 0.476 114.982 114.554 -0.081 0.000 2.833 437 T HA -0.073 4.217 4.350 -0.099 0.000 0.269 437 T C 1.429 176.111 174.700 -0.030 0.000 1.054 437 T CA 1.568 63.638 62.100 -0.050 0.000 1.135 437 T CB -0.458 68.388 68.868 -0.036 0.000 0.869 437 T HN 0.740 nan 8.240 nan 0.000 0.466 438 I N -1.266 119.289 120.570 -0.025 0.000 3.927 438 I HA 0.620 4.731 4.170 -0.099 0.000 0.332 438 I C 2.035 178.164 176.117 0.019 0.000 1.485 438 I CA -0.463 60.861 61.300 0.040 0.000 1.131 438 I CB -0.253 37.797 38.000 0.084 0.000 1.092 438 I HN -0.035 nan 8.210 nan 0.000 0.410 439 A N 2.219 125.006 122.820 -0.055 0.000 1.971 439 A HA -0.223 4.038 4.320 -0.099 0.000 0.222 439 A C 2.484 180.132 177.584 0.108 0.000 1.182 439 A CA 1.739 53.744 52.037 -0.052 0.000 0.649 439 A CB -0.478 18.450 19.000 -0.121 0.000 0.818 439 A HN 0.498 nan 8.150 nan 0.000 0.458 440 R N -1.319 119.188 120.500 0.011 0.000 2.070 440 R HA -0.119 4.162 4.340 -0.099 0.000 0.232 440 R C 2.082 178.374 176.300 -0.013 0.000 1.138 440 R CA 1.576 57.657 56.100 -0.032 0.000 0.936 440 R CB -1.024 29.181 30.300 -0.159 0.000 0.839 440 R HN 0.701 nan 8.270 nan 0.000 0.429 441 H N 1.065 120.159 119.070 0.040 0.000 2.353 441 H HA -0.104 4.392 4.556 -0.099 0.000 0.298 441 H C 2.262 177.619 175.328 0.048 0.000 1.103 441 H CA 1.370 57.435 56.048 0.028 0.000 1.293 441 H CB -0.243 29.522 29.762 0.006 0.000 1.372 441 H HN 0.148 nan 8.280 nan 0.000 0.501 442 L N -0.170 121.185 121.223 0.220 0.000 2.109 442 L HA -0.061 4.220 4.340 -0.099 0.000 0.207 442 L C 2.855 179.864 176.870 0.230 0.000 1.086 442 L CA 0.731 55.701 54.840 0.216 0.000 0.760 442 L CB -0.486 41.700 42.059 0.211 0.000 0.910 442 L HN 0.181 nan 8.230 nan 0.000 0.437 443 A N 0.503 123.485 122.820 0.271 0.000 2.024 443 A HA -0.225 4.035 4.320 -0.099 0.000 0.220 443 A C 2.243 179.770 177.584 -0.094 0.000 1.164 443 A CA 1.625 53.626 52.037 -0.060 0.000 0.643 443 A CB -0.345 18.628 19.000 -0.046 0.000 0.806 443 A HN 0.367 nan 8.150 nan 0.000 0.451 444 K N -0.375 120.024 120.400 -0.002 0.000 2.283 444 K HA -0.059 4.202 4.320 -0.099 0.000 0.202 444 K C 1.226 177.817 176.600 -0.014 0.000 1.048 444 K CA 1.202 57.487 56.287 -0.004 0.000 0.948 444 K CB 0.050 32.571 32.500 0.035 0.000 0.742 444 K HN 0.507 nan 8.250 nan 0.000 0.458 445 E N 0.473 120.668 120.200 -0.009 0.000 2.476 445 E HA 0.018 4.309 4.350 -0.099 0.000 0.199 445 E C 0.480 177.056 176.600 -0.039 0.000 1.021 445 E CA 0.267 56.661 56.400 -0.010 0.000 0.907 445 E CB 0.901 30.607 29.700 0.010 0.000 0.974 445 E HN 0.125 nan 8.360 nan 0.000 0.489 446 V N -2.084 117.771 119.914 -0.099 0.000 3.141 446 V HA 0.379 4.439 4.120 -0.099 0.000 0.312 446 V C 0.186 176.133 176.094 -0.245 0.000 1.157 446 V CA -0.856 61.339 62.300 -0.175 0.000 1.041 446 V CB 2.101 33.789 31.823 -0.225 0.000 1.071 446 V HN -0.266 nan 8.190 nan 0.000 0.441 447 D N 0.433 120.684 120.400 -0.248 0.000 2.333 447 D HA 0.240 4.821 4.640 -0.099 0.000 0.208 447 D C 0.082 176.243 176.300 -0.233 0.000 0.984 447 D CA 1.630 55.558 54.000 -0.120 0.000 0.873 447 D CB 0.443 41.321 40.800 0.130 0.000 0.935 447 D HN 0.671 nan 8.370 nan 0.000 0.521 448 F N -1.583 118.005 119.950 -0.602 0.000 2.858 448 F HA 0.569 5.035 4.527 -0.100 0.000 0.319 448 F C -2.070 173.311 175.800 -0.699 0.000 1.166 448 F CA -1.585 55.798 58.000 -1.029 0.000 0.899 448 F CB 0.745 38.760 39.000 -1.641 0.000 1.332 448 F HN -0.387 nan 8.300 nan 0.000 0.461 449 F N 0.880 120.617 119.950 -0.355 0.000 2.588 449 F HA 0.714 5.181 4.527 -0.100 0.000 0.310 449 F C -0.306 175.472 175.800 -0.038 0.000 1.082 449 F CA -1.451 56.426 58.000 -0.204 0.000 0.929 449 F CB 2.021 40.922 39.000 -0.165 0.000 1.254 449 F HN 0.679 nan 8.300 nan 0.000 0.455 450 S N 3.024 118.866 115.700 0.236 0.000 2.561 450 S HA 0.706 5.116 4.470 -0.099 0.000 0.303 450 S C -0.810 173.833 174.600 0.072 0.000 1.110 450 S CA -0.507 57.801 58.200 0.179 0.000 1.034 450 S CB 0.411 63.738 63.200 0.212 0.000 1.010 450 S HN 0.445 nan 8.310 nan 0.000 0.482 451 I N 4.164 124.754 120.570 0.034 0.000 2.396 451 I HA 0.304 4.414 4.170 -0.099 0.000 0.289 451 I C 1.162 177.274 176.117 -0.008 0.000 1.056 451 I CA -0.352 60.932 61.300 -0.026 0.000 1.365 451 I CB 0.860 38.832 38.000 -0.048 0.000 1.407 451 I HN 0.733 nan 8.210 nan 0.000 0.509 452 G N 3.621 112.413 108.800 -0.013 0.000 2.546 452 G HA2 0.253 4.154 3.960 -0.099 0.000 0.320 452 G HA3 0.253 4.154 3.960 -0.099 0.000 0.320 452 G C 1.020 175.912 174.900 -0.013 0.000 0.984 452 G CA -0.353 44.748 45.100 0.001 0.000 1.183 452 G HN 0.783 nan 8.290 nan 0.000 0.443 453 T N 0.124 114.670 114.554 -0.013 0.000 3.055 453 T HA -0.117 4.174 4.350 -0.099 0.000 0.265 453 T C 1.947 176.632 174.700 -0.025 0.000 1.111 453 T CA 0.659 62.739 62.100 -0.035 0.000 1.118 453 T CB -0.008 68.840 68.868 -0.033 0.000 0.909 453 T HN 0.304 nan 8.240 nan 0.000 0.501 454 N N 2.262 120.975 118.700 0.021 0.000 2.058 454 N HA -0.094 4.587 4.740 -0.099 0.000 0.191 454 N C 1.561 177.049 175.510 -0.036 0.000 1.037 454 N CA 1.540 54.635 53.050 0.076 0.000 0.848 454 N CB -0.505 38.008 38.487 0.044 0.000 1.021 454 N HN 0.444 nan 8.380 nan 0.000 0.422 455 D N 0.902 121.238 120.400 -0.107 0.000 2.084 455 D HA -0.079 4.501 4.640 -0.099 0.000 0.196 455 D C 2.161 178.320 176.300 -0.236 0.000 0.985 455 D CA 0.373 54.227 54.000 -0.242 0.000 0.826 455 D CB -0.409 40.376 40.800 -0.026 0.000 0.978 455 D HN 0.033 nan 8.370 nan 0.000 0.456 456 L N 1.215 122.403 121.223 -0.058 0.000 2.051 456 L HA -0.217 4.063 4.340 -0.099 0.000 0.214 456 L C 2.273 179.071 176.870 -0.121 0.000 1.076 456 L CA 1.804 56.626 54.840 -0.030 0.000 0.758 456 L CB -0.934 41.099 42.059 -0.044 0.000 0.890 456 L HN -0.007 nan 8.230 nan 0.000 0.433 457 T N -1.074 113.361 114.554 -0.198 0.000 2.652 457 T HA -0.304 3.987 4.350 -0.099 0.000 0.267 457 T C 1.700 176.223 174.700 -0.295 0.000 1.039 457 T CA 1.701 63.601 62.100 -0.333 0.000 1.153 457 T CB -0.296 68.192 68.868 -0.634 0.000 0.863 457 T HN 0.554 nan 8.240 nan 0.000 0.428 458 Q N -0.194 119.447 119.800 -0.264 0.000 2.062 458 Q HA -0.215 4.066 4.340 -0.099 0.000 0.209 458 Q C 1.911 177.687 176.000 -0.374 0.000 0.996 458 Q CA 1.957 57.563 55.803 -0.329 0.000 0.859 458 Q CB -0.297 28.026 28.738 -0.692 0.000 0.920 458 Q HN 0.647 nan 8.270 nan 0.000 0.415 459 Y N -0.272 119.983 120.300 -0.075 0.000 2.420 459 Y HA 0.040 4.530 4.550 -0.100 0.000 0.292 459 Y C 2.463 178.328 175.900 -0.059 0.000 1.119 459 Y CA 1.251 59.316 58.100 -0.059 0.000 1.229 459 Y CB -0.384 38.043 38.460 -0.055 0.000 1.026 459 Y HN 0.132 nan 8.280 nan 0.000 0.554 460 T N 0.288 114.865 114.554 0.038 0.000 2.812 460 T HA -0.038 4.253 4.350 -0.099 0.000 0.264 460 T C 1.703 176.385 174.700 -0.029 0.000 1.042 460 T CA 1.090 63.188 62.100 -0.002 0.000 1.140 460 T CB -0.317 68.523 68.868 -0.047 0.000 0.870 460 T HN 0.225 nan 8.240 nan 0.000 0.445 461 L N 0.559 121.740 121.223 -0.069 0.000 2.592 461 L HA 0.407 4.688 4.340 -0.099 0.000 0.227 461 L C 1.421 178.271 176.870 -0.034 0.000 1.127 461 L CA -0.028 54.771 54.840 -0.068 0.000 0.884 461 L CB -0.659 41.328 42.059 -0.120 0.000 1.065 461 L HN 0.244 nan 8.230 nan 0.000 0.457 462 A N 1.160 123.974 122.820 -0.010 0.000 2.640 462 A HA -0.172 4.089 4.320 -0.099 0.000 0.300 462 A C 0.224 177.808 177.584 -0.000 0.000 1.499 462 A CA 0.973 53.019 52.037 0.016 0.000 0.759 462 A CB -2.059 16.961 19.000 0.033 0.000 1.048 462 A HN 0.371 nan 8.150 nan 0.000 0.450 463 V N -0.710 119.197 119.914 -0.012 0.000 2.487 463 V HA 0.681 4.741 4.120 -0.099 0.000 0.298 463 V C -0.179 175.915 176.094 0.001 0.000 1.028 463 V CA -0.401 61.909 62.300 0.018 0.000 0.860 463 V CB 1.816 33.661 31.823 0.037 0.000 0.991 463 V HN 0.621 nan 8.190 nan 0.000 0.427 464 D N 4.767 125.153 120.400 -0.023 0.000 2.401 464 D HA 0.178 4.758 4.640 -0.099 0.000 0.254 464 D C 1.258 177.471 176.300 -0.144 0.000 1.192 464 D CA 0.202 54.173 54.000 -0.049 0.000 0.885 464 D CB 1.288 42.128 40.800 0.066 0.000 1.147 464 D HN 0.678 nan 8.370 nan 0.000 0.478 465 R N 2.381 122.699 120.500 -0.303 0.000 2.200 465 R HA -0.067 4.214 4.340 -0.099 0.000 0.234 465 R C 1.891 178.059 176.300 -0.220 0.000 1.127 465 R CA 1.278 57.102 56.100 -0.460 0.000 0.989 465 R CB 0.014 30.049 30.300 -0.442 0.000 0.869 465 R HN 0.536 nan 8.270 nan 0.000 0.459 466 G N -0.017 108.780 108.800 -0.005 0.000 2.683 466 G HA2 -0.123 3.778 3.960 -0.099 0.000 0.213 466 G HA3 -0.123 3.778 3.960 -0.099 0.000 0.213 466 G C 0.373 175.277 174.900 0.006 0.000 1.142 466 G CA -0.307 44.820 45.100 0.046 0.000 0.793 466 G HN 0.108 nan 8.290 nan 0.000 0.534 467 N N 2.064 120.755 118.700 -0.014 0.000 2.469 467 N HA 0.095 4.776 4.740 -0.099 0.000 0.239 467 N C -0.426 175.078 175.510 -0.011 0.000 1.053 467 N CA -0.436 52.614 53.050 0.000 0.000 0.937 467 N CB 0.648 39.142 38.487 0.011 0.000 1.163 467 N HN 0.272 nan 8.380 nan 0.000 0.509 471 S N 1.480 117.166 115.700 -0.024 0.000 2.420 471 S HA -0.275 4.135 4.470 -0.099 0.000 0.237 471 S C 1.997 176.605 174.600 0.014 0.000 1.023 471 S CA 1.890 60.088 58.200 -0.002 0.000 0.991 471 S CB -1.197 62.016 63.200 0.022 0.000 0.792 471 S HN 0.810 nan 8.310 nan 0.000 0.488 472 H N 1.482 120.581 119.070 0.049 0.000 2.518 472 H HA 0.114 4.610 4.556 -0.099 0.000 0.289 472 H C 1.653 177.010 175.328 0.047 0.000 1.051 472 H CA 1.132 57.206 56.048 0.043 0.000 1.280 472 H CB -0.544 29.233 29.762 0.025 0.000 1.380 472 H HN 0.464 nan 8.280 nan 0.000 0.566 473 L N -0.202 120.801 121.223 -0.365 0.000 2.592 473 L HA 0.067 4.348 4.340 -0.099 0.000 0.227 473 L C 0.254 177.086 176.870 -0.063 0.000 1.127 473 L CA -0.251 54.467 54.840 -0.203 0.000 0.884 473 L CB -0.112 41.785 42.059 -0.271 0.000 1.065 473 L HN 0.085 nan 8.230 nan 0.000 0.457 474 Y N 2.242 122.463 120.300 -0.130 0.000 2.600 474 Y HA 0.236 4.727 4.550 -0.099 0.000 0.351 474 Y C 0.003 175.862 175.900 -0.068 0.000 1.042 474 Y CA -0.157 57.882 58.100 -0.101 0.000 1.333 474 Y CB 0.134 38.537 38.460 -0.095 0.000 1.172 474 Y HN 0.014 nan 8.280 nan 0.000 0.517 475 Q N 8.562 128.158 119.800 -0.339 0.000 2.464 475 Q HA 0.337 4.618 4.340 -0.099 0.000 0.256 475 Q C -2.642 173.172 176.000 -0.310 0.000 1.020 475 Q CA -1.984 53.680 55.803 -0.232 0.000 0.716 475 Q CB 1.997 30.665 28.738 -0.115 0.000 1.230 475 Q HN 0.512 nan 8.270 nan 0.000 0.494 479 P HA -0.143 nan 4.420 nan 0.000 0.218 479 P C 1.552 178.828 177.300 -0.039 0.000 1.146 479 P CA 1.741 64.821 63.100 -0.034 0.000 0.813 479 P CB -0.110 31.574 31.700 -0.025 0.000 0.778 480 S N -1.603 114.069 115.700 -0.047 0.000 2.371 480 S HA -0.066 4.344 4.470 -0.099 0.000 0.224 480 S C 1.968 176.532 174.600 -0.060 0.000 1.029 480 S CA 1.068 59.238 58.200 -0.050 0.000 0.978 480 S CB -1.494 61.675 63.200 -0.051 0.000 0.833 480 S HN -0.017 nan 8.310 nan 0.000 0.466 481 V N 1.875 121.743 119.914 -0.076 0.000 2.488 481 V HA 0.040 4.101 4.120 -0.099 0.000 0.246 481 V C 2.503 178.556 176.094 -0.069 0.000 1.046 481 V CA 1.254 63.502 62.300 -0.085 0.000 1.053 481 V CB -0.779 30.971 31.823 -0.122 0.000 0.679 481 V HN 0.407 nan 8.190 nan 0.000 0.458 482 L N 0.070 121.258 121.223 -0.059 0.000 1.994 482 L HA -0.179 4.102 4.340 -0.099 0.000 0.208 482 L C 2.489 179.335 176.870 -0.041 0.000 1.071 482 L CA 1.712 56.524 54.840 -0.046 0.000 0.745 482 L CB -0.870 41.167 42.059 -0.038 0.000 0.892 482 L HN 0.363 nan 8.230 nan 0.000 0.431 483 N N 0.245 118.922 118.700 -0.039 0.000 2.061 483 N HA -0.215 4.466 4.740 -0.099 0.000 0.193 483 N C 1.955 177.441 175.510 -0.041 0.000 1.030 483 N CA 1.591 54.620 53.050 -0.034 0.000 0.856 483 N CB -0.349 38.120 38.487 -0.031 0.000 1.023 483 N HN 0.319 nan 8.380 nan 0.000 0.424 484 L N 0.930 122.124 121.223 -0.049 0.000 2.083 484 L HA -0.128 4.153 4.340 -0.099 0.000 0.209 484 L C 2.324 179.153 176.870 -0.068 0.000 1.083 484 L CA 0.735 55.539 54.840 -0.059 0.000 0.752 484 L CB -0.387 41.633 42.059 -0.064 0.000 0.899 484 L HN 0.112 nan 8.230 nan 0.000 0.433 485 I N -0.123 120.409 120.570 -0.063 0.000 2.163 485 I HA -0.350 3.761 4.170 -0.099 0.000 0.243 485 I C 2.755 178.842 176.117 -0.051 0.000 1.085 485 I CA 1.482 62.745 61.300 -0.061 0.000 1.347 485 I CB -0.370 37.598 38.000 -0.054 0.000 1.044 485 I HN 0.233 nan 8.210 nan 0.000 0.408 486 K N 0.701 121.078 120.400 -0.038 0.000 2.103 486 K HA -0.286 3.975 4.320 -0.099 0.000 0.207 486 K C 2.191 178.772 176.600 -0.031 0.000 1.048 486 K CA 1.864 58.136 56.287 -0.025 0.000 0.930 486 K CB -0.124 32.367 32.500 -0.015 0.000 0.716 486 K HN 0.412 nan 8.250 nan 0.000 0.444 487 Q N 0.313 120.090 119.800 -0.039 0.000 2.172 487 Q HA -0.093 4.188 4.340 -0.099 0.000 0.200 487 Q C 1.800 177.776 176.000 -0.039 0.000 0.964 487 Q CA 1.056 56.837 55.803 -0.036 0.000 0.855 487 Q CB 0.234 28.947 28.738 -0.042 0.000 0.918 487 Q HN 0.135 nan 8.270 nan 0.000 0.444 488 V N 1.076 120.954 119.914 -0.061 0.000 2.323 488 V HA -0.248 3.813 4.120 -0.099 0.000 0.244 488 V C 2.357 178.462 176.094 0.019 0.000 1.041 488 V CA 1.538 63.800 62.300 -0.064 0.000 1.025 488 V CB -0.498 31.230 31.823 -0.160 0.000 0.656 488 V HN 0.382 nan 8.190 nan 0.000 0.451 489 I N 0.411 120.950 120.570 -0.051 0.000 2.118 489 I HA -0.287 3.823 4.170 -0.099 0.000 0.241 489 I C 2.379 178.305 176.117 -0.318 0.000 1.070 489 I CA 1.886 63.080 61.300 -0.178 0.000 1.327 489 I CB -0.606 37.305 38.000 -0.147 0.000 1.034 489 I HN 0.332 nan 8.210 nan 0.000 0.405 490 D N 1.107 121.425 120.400 -0.137 0.000 2.104 490 D HA -0.184 4.397 4.640 -0.099 0.000 0.194 490 D C 2.243 178.537 176.300 -0.011 0.000 0.994 490 D CA 1.664 55.632 54.000 -0.053 0.000 0.830 490 D CB -0.391 40.412 40.800 0.005 0.000 0.959 490 D HN 0.374 nan 8.370 nan 0.000 0.452 491 A N 0.769 123.603 122.820 0.023 0.000 1.869 491 A HA -0.280 3.980 4.320 -0.099 0.000 0.218 491 A C 2.461 180.084 177.584 0.064 0.000 1.203 491 A CA 2.611 54.697 52.037 0.083 0.000 0.638 491 A CB -1.078 18.032 19.000 0.183 0.000 0.831 491 A HN 0.199 nan 8.150 nan 0.000 0.450 492 S N -1.116 114.611 115.700 0.045 0.000 2.380 492 S HA -0.260 4.151 4.470 -0.099 0.000 0.229 492 S C 1.945 176.579 174.600 0.057 0.000 1.050 492 S CA 1.904 60.046 58.200 -0.097 0.000 1.100 492 S CB -0.612 62.520 63.200 -0.112 0.000 0.984 492 S HN 0.751 nan 8.310 nan 0.000 0.434 493 H N 0.718 119.820 119.070 0.053 0.000 2.428 493 H HA 0.231 4.727 4.556 -0.099 0.000 0.296 493 H C 2.293 177.645 175.328 0.040 0.000 1.062 493 H CA 0.891 56.976 56.048 0.061 0.000 1.350 493 H CB -0.931 28.882 29.762 0.084 0.000 1.403 493 H HN 0.430 nan 8.280 nan 0.000 0.533 494 A N 1.090 123.996 122.820 0.144 0.000 1.972 494 A HA -0.120 4.141 4.320 -0.099 0.000 0.219 494 A C 1.911 179.527 177.584 0.054 0.000 1.169 494 A CA 1.346 53.433 52.037 0.083 0.000 0.635 494 A CB 0.003 19.033 19.000 0.050 0.000 0.810 494 A HN 0.201 nan 8.150 nan 0.000 0.446 495 E N -1.117 119.104 120.200 0.035 0.000 2.489 495 E HA 0.191 4.481 4.350 -0.099 0.000 0.193 495 E C 1.185 177.800 176.600 0.024 0.000 1.057 495 E CA 0.589 56.995 56.400 0.009 0.000 0.866 495 E CB -0.300 29.376 29.700 -0.040 0.000 0.916 495 E HN 0.765 nan 8.360 nan 0.000 0.500 496 G N 1.686 110.524 108.800 0.064 0.000 2.160 496 G HA2 -0.326 3.575 3.960 -0.099 0.000 0.251 496 G HA3 -0.326 3.575 3.960 -0.099 0.000 0.251 496 G C 0.378 175.339 174.900 0.101 0.000 1.008 496 G CA 0.948 46.096 45.100 0.079 0.000 0.724 496 G HN 0.224 nan 8.290 nan 0.000 0.514 497 K N -0.703 119.744 120.400 0.079 0.000 2.502 497 K HA 0.836 5.097 4.320 -0.099 0.000 0.252 497 K C 0.543 177.279 176.600 0.227 0.000 1.043 497 K CA -0.343 55.983 56.287 0.065 0.000 0.999 497 K CB 0.728 33.095 32.500 -0.221 0.000 1.343 497 K HN 0.485 nan 8.250 nan 0.000 0.513 498 W N -1.084 120.261 121.300 0.076 0.000 2.962 498 W HA 0.589 5.188 4.660 -0.100 0.000 0.341 498 W C -1.365 175.227 176.519 0.122 0.000 1.155 498 W CA -0.816 56.623 57.345 0.157 0.000 1.165 498 W CB 0.581 30.108 29.460 0.112 0.000 1.435 498 W HN 0.254 nan 8.180 nan 0.000 0.546 499 T N 1.627 116.408 114.554 0.379 0.000 2.807 499 T HA 0.592 4.882 4.350 -0.099 0.000 0.279 499 T C 0.229 175.188 174.700 0.433 0.000 0.993 499 T CA -0.285 61.968 62.100 0.255 0.000 0.970 499 T CB 1.865 70.832 68.868 0.166 0.000 0.950 499 T HN 0.709 nan 8.240 nan 0.000 0.441 503 G N 1.287 110.117 108.800 0.049 0.000 2.690 503 G HA2 0.376 4.277 3.960 -0.099 0.000 0.239 503 G HA3 0.376 4.277 3.960 -0.099 0.000 0.239 503 G C 0.802 175.742 174.900 0.067 0.000 1.233 503 G CA 0.217 45.347 45.100 0.049 0.000 0.847 503 G HN 0.465 nan 8.290 nan 0.000 0.588 504 E N 0.384 120.629 120.200 0.075 0.000 2.338 504 E HA -0.088 4.203 4.350 -0.099 0.000 0.197 504 E C 2.494 179.144 176.600 0.084 0.000 1.007 504 E CA 0.001 56.452 56.400 0.085 0.000 0.849 504 E CB -0.052 29.701 29.700 0.089 0.000 0.774 504 E HN 0.469 nan 8.360 nan 0.000 0.506 505 L N 0.588 121.852 121.223 0.069 0.000 2.079 505 L HA -0.229 4.052 4.340 -0.099 0.000 0.210 505 L C 2.407 179.343 176.870 0.111 0.000 1.081 505 L CA 1.324 56.203 54.840 0.066 0.000 0.752 505 L CB -0.578 41.498 42.059 0.029 0.000 0.896 505 L HN 0.093 nan 8.230 nan 0.000 0.433 506 A N -0.099 122.798 122.820 0.128 0.000 1.917 506 A HA -0.210 4.051 4.320 -0.099 0.000 0.219 506 A C 2.145 179.900 177.584 0.285 0.000 1.182 506 A CA 1.972 54.164 52.037 0.259 0.000 0.633 506 A CB -1.075 18.057 19.000 0.220 0.000 0.819 506 A HN 0.500 nan 8.150 nan 0.000 0.448 507 G N -1.455 107.446 108.800 0.168 0.000 2.985 507 G HA2 0.124 4.024 3.960 -0.099 0.000 0.209 507 G HA3 0.124 4.024 3.960 -0.099 0.000 0.209 507 G C 0.140 175.092 174.900 0.088 0.000 1.165 507 G CA 0.439 45.610 45.100 0.118 0.000 0.776 507 G HN 0.426 nan 8.290 nan 0.000 0.541 508 D N 0.907 121.363 120.400 0.094 0.000 2.347 508 D HA 0.116 4.696 4.640 -0.099 0.000 0.235 508 D C 1.189 177.525 176.300 0.060 0.000 1.149 508 D CA -0.325 53.716 54.000 0.068 0.000 0.850 508 D CB 0.814 41.653 40.800 0.065 0.000 1.061 508 D HN 0.154 nan 8.370 nan 0.000 0.487 509 E N 2.833 123.058 120.200 0.041 0.000 2.339 509 E HA -0.222 4.069 4.350 -0.099 0.000 0.201 509 E C 1.159 177.775 176.600 0.026 0.000 1.015 509 E CA 0.892 57.309 56.400 0.028 0.000 0.841 509 E CB 0.257 29.971 29.700 0.023 0.000 0.754 509 E HN 0.506 nan 8.360 nan 0.000 0.508 510 R N -0.535 119.982 120.500 0.028 0.000 2.290 510 R HA 0.167 4.448 4.340 -0.099 0.000 0.197 510 R C 1.830 178.137 176.300 0.011 0.000 0.913 510 R CA 0.588 56.698 56.100 0.016 0.000 1.040 510 R CB 0.375 30.685 30.300 0.018 0.000 0.992 510 R HN 0.023 nan 8.270 nan 0.000 0.500 511 A N 0.052 122.893 122.820 0.034 0.000 2.197 511 A HA 0.077 4.337 4.320 -0.099 0.000 0.210 511 A C 1.740 179.372 177.584 0.080 0.000 1.180 511 A CA 0.330 52.394 52.037 0.044 0.000 0.846 511 A CB 0.010 19.044 19.000 0.056 0.000 0.884 511 A HN 0.074 nan 8.150 nan 0.000 0.487 512 T N 1.538 116.146 114.554 0.091 0.000 2.624 512 T HA -0.223 4.067 4.350 -0.099 0.000 0.268 512 T C 1.766 176.529 174.700 0.105 0.000 1.041 512 T CA 1.935 64.115 62.100 0.133 0.000 1.159 512 T CB -0.567 68.319 68.868 0.030 0.000 0.863 512 T HN 0.416 nan 8.240 nan 0.000 0.434 513 L N 0.294 121.504 121.223 -0.021 0.000 2.079 513 L HA -0.057 4.223 4.340 -0.099 0.000 0.210 513 L C 2.529 179.352 176.870 -0.077 0.000 1.081 513 L CA 1.097 55.863 54.840 -0.122 0.000 0.752 513 L CB -0.798 41.003 42.059 -0.431 0.000 0.896 513 L HN 0.237 nan 8.230 nan 0.000 0.433 514 L N -0.707 120.487 121.223 -0.048 0.000 2.023 514 L HA -0.167 4.113 4.340 -0.099 0.000 0.205 514 L C 2.569 179.471 176.870 0.054 0.000 1.073 514 L CA 1.058 55.886 54.840 -0.020 0.000 0.745 514 L CB -0.550 41.494 42.059 -0.025 0.000 0.900 514 L HN 0.223 nan 8.230 nan 0.000 0.435 515 L N -0.409 120.876 121.223 0.103 0.000 2.013 515 L HA -0.287 3.994 4.340 -0.099 0.000 0.212 515 L C 2.667 179.669 176.870 0.219 0.000 1.073 515 L CA 1.089 56.000 54.840 0.117 0.000 0.753 515 L CB -0.612 41.548 42.059 0.168 0.000 0.890 515 L HN 0.254 nan 8.230 nan 0.000 0.432 516 L N -0.017 121.426 121.223 0.366 0.000 1.989 516 L HA -0.031 4.250 4.340 -0.099 0.000 0.211 516 L C 1.666 178.764 176.870 0.382 0.000 1.071 516 L CA 1.696 56.803 54.840 0.446 0.000 0.749 516 L CB -1.149 41.144 42.059 0.390 0.000 0.890 516 L HN 0.157 nan 8.230 nan 0.000 0.431 520 L N 1.390 122.739 121.223 0.212 0.000 2.578 520 L HA 0.270 4.550 4.340 -0.099 0.000 0.279 520 L C 0.889 177.847 176.870 0.147 0.000 1.227 520 L CA 0.861 55.742 54.840 0.068 0.000 0.900 520 L CB 0.512 42.428 42.059 -0.238 0.000 1.144 520 L HN 0.162 nan 8.230 nan 0.000 0.496 521 D N 2.629 123.142 120.400 0.188 0.000 2.301 521 D HA 0.007 4.587 4.640 -0.099 0.000 0.206 521 D C 0.153 176.514 176.300 0.102 0.000 0.979 521 D CA 0.745 54.854 54.000 0.183 0.000 0.874 521 D CB 0.641 41.616 40.800 0.292 0.000 0.968 521 D HN 0.552 nan 8.370 nan 0.000 0.510 522 E N 0.113 120.364 120.200 0.085 0.000 2.304 522 E HA 0.246 4.537 4.350 -0.099 0.000 0.277 522 E C -1.720 174.904 176.600 0.041 0.000 0.898 522 E CA -0.461 56.003 56.400 0.106 0.000 0.764 522 E CB 1.592 31.336 29.700 0.074 0.000 1.216 522 E HN -0.239 nan 8.360 nan 0.000 0.419 523 F N 1.200 121.180 119.950 0.050 0.000 2.495 523 F HA 0.505 4.972 4.527 -0.100 0.000 0.327 523 F C 0.704 176.534 175.800 0.049 0.000 1.103 523 F CA -0.448 57.588 58.000 0.059 0.000 0.949 523 F CB 2.125 41.150 39.000 0.042 0.000 1.142 523 F HN 0.232 nan 8.300 nan 0.000 0.457 527 A N 2.691 125.545 122.820 0.057 0.000 1.892 527 A HA -0.150 4.110 4.320 -0.099 0.000 0.218 527 A C 1.942 179.545 177.584 0.032 0.000 1.188 527 A CA 2.161 54.222 52.037 0.040 0.000 0.631 527 A CB -1.198 17.824 19.000 0.036 0.000 0.822 527 A HN 1.148 nan 8.150 nan 0.000 0.447 528 I N -2.972 117.618 120.570 0.034 0.000 2.623 528 I HA -0.165 3.946 4.170 -0.099 0.000 0.261 528 I C 1.639 177.770 176.117 0.023 0.000 1.204 528 I CA 1.948 63.264 61.300 0.026 0.000 1.444 528 I CB -0.411 37.604 38.000 0.026 0.000 1.094 528 I HN 0.114 nan 8.210 nan 0.000 0.451 529 S N 0.791 116.509 115.700 0.029 0.000 2.548 529 S HA 0.317 4.728 4.470 -0.099 0.000 0.215 529 S C 1.801 176.408 174.600 0.012 0.000 0.976 529 S CA -0.049 58.166 58.200 0.025 0.000 0.908 529 S CB -0.044 63.180 63.200 0.041 0.000 0.781 529 S HN 0.417 nan 8.310 nan 0.000 0.519 530 I N 2.364 122.940 120.570 0.010 0.000 2.127 530 I HA -0.139 3.971 4.170 -0.099 0.000 0.241 530 I C -0.952 175.150 176.117 -0.026 0.000 1.075 530 I CA 1.329 62.625 61.300 -0.008 0.000 1.334 530 I CB -1.513 36.486 38.000 -0.002 0.000 1.040 530 I HN 0.179 nan 8.210 nan 0.000 0.405 531 P HA -0.125 nan 4.420 nan 0.000 0.217 531 P C 1.410 178.696 177.300 -0.024 0.000 1.150 531 P CA 1.375 64.463 63.100 -0.021 0.000 0.832 531 P CB -0.135 31.559 31.700 -0.010 0.000 0.787 532 R N -0.684 119.807 120.500 -0.016 0.000 2.081 532 R HA -0.082 4.199 4.340 -0.099 0.000 0.235 532 R C 2.071 178.353 176.300 -0.031 0.000 1.131 532 R CA 1.228 57.320 56.100 -0.013 0.000 0.960 532 R CB -1.095 29.204 30.300 -0.001 0.000 0.856 532 R HN 0.216 nan 8.270 nan 0.000 0.436 533 I N 1.296 121.835 120.570 -0.051 0.000 2.286 533 I HA -0.178 3.933 4.170 -0.099 0.000 0.245 533 I C 2.420 178.451 176.117 -0.144 0.000 1.104 533 I CA 1.095 62.333 61.300 -0.104 0.000 1.397 533 I CB -0.985 36.936 38.000 -0.132 0.000 1.072 533 I HN 0.156 nan 8.210 nan 0.000 0.417 534 K N 1.338 121.664 120.400 -0.122 0.000 2.044 534 K HA -0.267 3.994 4.320 -0.099 0.000 0.210 534 K C 2.228 178.783 176.600 -0.075 0.000 1.049 534 K CA 1.896 58.116 56.287 -0.112 0.000 0.927 534 K CB -0.077 32.377 32.500 -0.078 0.000 0.713 534 K HN 0.129 nan 8.250 nan 0.000 0.443 535 K N 0.736 121.107 120.400 -0.048 0.000 2.032 535 K HA -0.159 4.102 4.320 -0.099 0.000 0.209 535 K C 2.085 178.676 176.600 -0.015 0.000 1.048 535 K CA 1.706 57.978 56.287 -0.024 0.000 0.927 535 K CB -0.138 32.354 32.500 -0.012 0.000 0.712 535 K HN 0.186 nan 8.250 nan 0.000 0.441 536 I N 0.857 121.413 120.570 -0.024 0.000 2.286 536 I HA -0.282 3.829 4.170 -0.099 0.000 0.248 536 I C 2.191 178.307 176.117 -0.002 0.000 1.115 536 I CA 1.093 62.390 61.300 -0.005 0.000 1.392 536 I CB -0.156 37.835 38.000 -0.014 0.000 1.065 536 I HN 0.225 nan 8.210 nan 0.000 0.418 537 I N 0.266 120.807 120.570 -0.047 0.000 2.286 537 I HA -0.211 3.899 4.170 -0.099 0.000 0.245 537 I C 2.510 178.630 176.117 0.007 0.000 1.104 537 I CA 1.107 62.384 61.300 -0.039 0.000 1.397 537 I CB -0.354 37.565 38.000 -0.135 0.000 1.072 537 I HN 0.106 nan 8.210 nan 0.000 0.417 538 R N 0.899 121.392 120.500 -0.011 0.000 2.241 538 R HA -0.060 4.220 4.340 -0.099 0.000 0.224 538 R C 0.915 177.233 176.300 0.030 0.000 1.101 538 R CA 0.798 56.901 56.100 0.004 0.000 0.995 538 R CB -0.212 30.081 30.300 -0.011 0.000 0.870 538 R HN 0.457 nan 8.270 nan 0.000 0.463 539 N N -0.209 118.516 118.700 0.043 0.000 2.187 539 N HA 0.050 4.731 4.740 -0.099 0.000 0.212 539 N C -0.416 175.152 175.510 0.096 0.000 1.152 539 N CA 0.212 53.296 53.050 0.057 0.000 0.872 539 N CB 1.328 39.843 38.487 0.046 0.000 1.025 539 N HN -0.014 nan 8.380 nan 0.000 0.514 540 T N 0.593 115.220 114.554 0.122 0.000 2.943 540 T HA 0.180 4.471 4.350 -0.099 0.000 0.284 540 T C 0.106 174.914 174.700 0.180 0.000 1.015 540 T CA -0.614 61.600 62.100 0.190 0.000 1.042 540 T CB 1.884 70.874 68.868 0.204 0.000 1.055 540 T HN 0.018 nan 8.240 nan 0.000 0.500 541 N N 1.083 119.906 118.700 0.204 0.000 2.426 541 N HA 0.107 4.788 4.740 -0.099 0.000 0.275 541 N C 0.463 176.114 175.510 0.235 0.000 1.019 541 N CA -0.463 52.698 53.050 0.184 0.000 0.941 541 N CB 0.847 39.400 38.487 0.112 0.000 1.123 541 N HN 0.542 nan 8.380 nan 0.000 0.486 542 F N 4.369 124.370 119.950 0.085 0.000 2.134 542 F HA -0.048 4.419 4.527 -0.099 0.000 0.299 542 F C 1.805 177.613 175.800 0.012 0.000 1.097 542 F CA 1.457 59.476 58.000 0.031 0.000 1.264 542 F CB 0.171 39.154 39.000 -0.027 0.000 1.001 542 F HN 0.537 nan 8.300 nan 0.000 0.479 543 E N 0.603 120.698 120.200 -0.174 0.000 2.110 543 E HA -0.193 4.097 4.350 -0.099 0.000 0.193 543 E C 1.919 178.407 176.600 -0.187 0.000 0.988 543 E CA 1.452 57.679 56.400 -0.288 0.000 0.804 543 E CB -0.614 29.033 29.700 -0.088 0.000 0.745 543 E HN 0.497 nan 8.360 nan 0.000 0.458 544 D N 0.640 121.029 120.400 -0.019 0.000 2.097 544 D HA -0.100 4.481 4.640 -0.099 0.000 0.195 544 D C 1.888 178.326 176.300 0.231 0.000 0.989 544 D CA 1.514 55.587 54.000 0.121 0.000 0.827 544 D CB -0.371 40.517 40.800 0.147 0.000 0.966 544 D HN 0.148 nan 8.370 nan 0.000 0.456 545 A N 1.351 124.256 122.820 0.142 0.000 1.892 545 A HA -0.278 3.983 4.320 -0.099 0.000 0.218 545 A C 2.067 179.562 177.584 -0.149 0.000 1.188 545 A CA 1.839 53.837 52.037 -0.066 0.000 0.631 545 A CB -0.516 18.457 19.000 -0.046 0.000 0.822 545 A HN 0.154 nan 8.150 nan 0.000 0.447 546 K N -0.694 119.514 120.400 -0.319 0.000 2.001 546 K HA -0.150 4.111 4.320 -0.099 0.000 0.214 546 K C 1.918 178.438 176.600 -0.133 0.000 1.050 546 K CA 1.732 57.844 56.287 -0.293 0.000 0.934 546 K CB -0.617 31.619 32.500 -0.440 0.000 0.718 546 K HN 0.290 nan 8.250 nan 0.000 0.443 547 V N 1.816 121.674 119.914 -0.094 0.000 2.317 547 V HA -0.276 3.784 4.120 -0.099 0.000 0.251 547 V C 2.265 178.365 176.094 0.011 0.000 1.065 547 V CA 1.776 64.061 62.300 -0.024 0.000 1.049 547 V CB -0.480 31.346 31.823 0.005 0.000 0.651 547 V HN 0.313 nan 8.190 nan 0.000 0.450 548 L N 0.813 122.059 121.223 0.037 0.000 1.994 548 L HA -0.093 4.188 4.340 -0.099 0.000 0.208 548 L C 2.454 179.304 176.870 -0.033 0.000 1.071 548 L CA 2.511 57.364 54.840 0.022 0.000 0.745 548 L CB -1.072 40.917 42.059 -0.116 0.000 0.892 548 L HN 0.208 nan 8.230 nan 0.000 0.431 549 A N -0.745 122.040 122.820 -0.059 0.000 1.883 549 A HA -0.288 3.973 4.320 -0.099 0.000 0.217 549 A C 2.328 179.896 177.584 -0.028 0.000 1.186 549 A CA 1.902 53.911 52.037 -0.046 0.000 0.624 549 A CB -0.903 18.073 19.000 -0.039 0.000 0.822 549 A HN 0.646 nan 8.150 nan 0.000 0.444 550 E N -0.358 119.825 120.200 -0.028 0.000 2.049 550 E HA -0.287 4.003 4.350 -0.099 0.000 0.198 550 E C 2.244 178.838 176.600 -0.011 0.000 1.007 550 E CA 1.642 58.032 56.400 -0.018 0.000 0.809 550 E CB -0.229 29.459 29.700 -0.021 0.000 0.749 550 E HN 0.739 nan 8.360 nan 0.000 0.450 551 Q N -0.144 119.653 119.800 -0.005 0.000 2.045 551 Q HA -0.245 4.036 4.340 -0.099 0.000 0.206 551 Q C 2.287 178.285 176.000 -0.003 0.000 0.991 551 Q CA 1.616 57.420 55.803 0.002 0.000 0.851 551 Q CB -0.339 28.409 28.738 0.015 0.000 0.911 551 Q HN 0.376 nan 8.270 nan 0.000 0.418 552 A N 1.027 123.842 122.820 -0.008 0.000 1.940 552 A HA -0.162 4.099 4.320 -0.099 0.000 0.219 552 A C 2.072 179.648 177.584 -0.014 0.000 1.176 552 A CA 1.207 53.237 52.037 -0.012 0.000 0.631 552 A CB -0.708 18.279 19.000 -0.022 0.000 0.814 552 A HN 0.313 nan 8.150 nan 0.000 0.446 553 L N -1.162 120.053 121.223 -0.014 0.000 2.456 553 L HA -0.102 4.179 4.340 -0.099 0.000 0.224 553 L C 2.580 179.443 176.870 -0.012 0.000 1.148 553 L CA 0.663 55.494 54.840 -0.015 0.000 0.825 553 L CB -0.203 41.848 42.059 -0.014 0.000 0.937 553 L HN 0.453 nan 8.230 nan 0.000 0.450 554 A N -2.065 120.750 122.820 -0.009 0.000 2.220 554 A HA 0.089 4.350 4.320 -0.099 0.000 0.211 554 A C 0.844 178.424 177.584 -0.006 0.000 1.176 554 A CA -0.142 51.890 52.037 -0.007 0.000 0.834 554 A CB 0.131 19.128 19.000 -0.004 0.000 0.868 554 A HN 0.170 nan 8.150 nan 0.000 0.488 555 Q N 0.651 120.447 119.800 -0.007 0.000 2.311 555 Q HA 0.159 4.439 4.340 -0.099 0.000 0.272 555 Q C -1.909 174.086 176.000 -0.008 0.000 1.012 555 Q CA -2.012 53.788 55.803 -0.005 0.000 0.891 555 Q CB 0.524 29.259 28.738 -0.004 0.000 1.201 555 Q HN 0.308 nan 8.270 nan 0.000 0.391 556 P HA 0.053 nan 4.420 nan 0.000 0.257 556 P C -0.378 176.918 177.300 -0.008 0.000 1.281 556 P CA 0.212 63.308 63.100 -0.008 0.000 0.826 556 P CB 0.830 32.527 31.700 -0.005 0.000 1.237 557 T N -1.209 113.341 114.554 -0.007 0.000 2.952 557 T HA 0.260 4.550 4.350 -0.099 0.000 0.305 557 T C 0.972 175.668 174.700 -0.006 0.000 1.064 557 T CA -0.074 62.023 62.100 -0.005 0.000 1.008 557 T CB 1.664 70.532 68.868 -0.000 0.000 1.078 557 T HN -0.284 nan 8.240 nan 0.000 0.459 558 T N 2.453 117.002 114.554 -0.007 0.000 2.652 558 T HA -0.134 4.157 4.350 -0.099 0.000 0.267 558 T C 1.509 176.209 174.700 -0.001 0.000 1.039 558 T CA 1.564 63.659 62.100 -0.008 0.000 1.153 558 T CB -0.262 68.601 68.868 -0.009 0.000 0.863 558 T HN 0.584 nan 8.240 nan 0.000 0.428 559 D N 0.853 121.255 120.400 0.004 0.000 2.133 559 D HA -0.109 4.472 4.640 -0.099 0.000 0.192 559 D C 2.226 178.531 176.300 0.008 0.000 1.001 559 D CA 1.217 55.222 54.000 0.007 0.000 0.844 559 D CB -0.262 40.543 40.800 0.009 0.000 0.944 559 D HN 0.527 nan 8.370 nan 0.000 0.447 560 E N -0.044 120.159 120.200 0.006 0.000 2.153 560 E HA -0.077 4.213 4.350 -0.099 0.000 0.194 560 E C 1.356 177.960 176.600 0.007 0.000 0.988 560 E CA 0.050 56.454 56.400 0.007 0.000 0.811 560 E CB 0.087 29.790 29.700 0.004 0.000 0.746 560 E HN 0.324 nan 8.360 nan 0.000 0.466 564 L N 2.281 123.529 121.223 0.041 0.000 1.971 564 L HA -0.087 4.194 4.340 -0.099 0.000 0.215 564 L C 2.698 179.624 176.870 0.094 0.000 1.072 564 L CA 1.962 56.840 54.840 0.064 0.000 0.758 564 L CB -1.734 40.350 42.059 0.043 0.000 0.889 564 L HN 0.213 nan 8.230 nan 0.000 0.433 565 V N 0.640 120.580 119.914 0.043 0.000 2.250 565 V HA -0.355 3.706 4.120 -0.099 0.000 0.250 565 V C 2.429 178.582 176.094 0.099 0.000 1.060 565 V CA 2.080 64.394 62.300 0.023 0.000 1.030 565 V CB -0.774 31.039 31.823 -0.015 0.000 0.643 565 V HN 0.491 nan 8.190 nan 0.000 0.445 566 N N 0.094 118.841 118.700 0.079 0.000 2.084 566 N HA -0.170 4.510 4.740 -0.099 0.000 0.190 566 N C 1.867 177.440 175.510 0.106 0.000 1.030 566 N CA 1.472 54.573 53.050 0.084 0.000 0.849 566 N CB -0.393 38.126 38.487 0.053 0.000 1.012 566 N HN 0.487 nan 8.380 nan 0.000 0.423 567 K N -0.129 120.331 120.400 0.101 0.000 2.209 567 K HA -0.069 4.192 4.320 -0.099 0.000 0.204 567 K C 1.857 178.521 176.600 0.107 0.000 1.048 567 K CA 0.617 56.953 56.287 0.081 0.000 0.940 567 K CB -0.206 32.330 32.500 0.060 0.000 0.729 567 K HN 0.095 nan 8.250 nan 0.000 0.451 568 F N 1.058 121.011 119.950 0.004 0.000 2.051 568 F HA -0.204 4.263 4.527 -0.099 0.000 0.296 568 F C 1.864 177.668 175.800 0.008 0.000 1.122 568 F CA 1.477 59.480 58.000 0.005 0.000 1.201 568 F CB -0.119 38.885 39.000 0.006 0.000 0.978 568 F HN -0.099 nan 8.300 nan 0.000 0.472 569 I N 0.344 121.134 120.570 0.368 0.000 2.248 569 I HA -0.331 3.780 4.170 -0.099 0.000 0.248 569 I C 2.313 178.488 176.117 0.096 0.000 1.107 569 I CA 1.592 63.030 61.300 0.229 0.000 1.373 569 I CB -0.480 37.615 38.000 0.160 0.000 1.055 569 I HN 0.314 nan 8.210 nan 0.000 0.418 570 E N 0.494 120.733 120.200 0.065 0.000 2.017 570 E HA -0.249 4.041 4.350 -0.099 0.000 0.193 570 E C 2.004 178.594 176.600 -0.017 0.000 0.997 570 E CA 1.535 57.949 56.400 0.022 0.000 0.804 570 E CB -0.129 29.582 29.700 0.019 0.000 0.757 570 E HN 0.596 nan 8.360 nan 0.000 0.448 571 E N 0.016 120.181 120.200 -0.058 0.000 2.299 571 E HA -0.043 4.247 4.350 -0.099 0.000 0.193 571 E C 1.572 178.079 176.600 -0.155 0.000 0.998 571 E CA 0.473 56.810 56.400 -0.105 0.000 0.851 571 E CB 0.256 29.881 29.700 -0.127 0.000 0.795 571 E HN 0.046 nan 8.360 nan 0.000 0.492 572 K N 0.257 120.537 120.400 -0.200 0.000 2.380 572 K HA 0.176 4.436 4.320 -0.099 0.000 0.198 572 K C 0.299 176.851 176.600 -0.081 0.000 1.070 572 K CA 0.510 56.643 56.287 -0.255 0.000 1.040 572 K CB 1.685 33.770 32.500 -0.693 0.000 0.903 572 K HN -0.001 nan 8.250 nan 0.000 0.549 573 T N 0.000 114.546 114.554 -0.014 0.000 3.816 573 T HA 0.000 4.291 4.350 -0.099 0.000 0.228 573 T CA 0.000 62.109 62.100 0.015 0.000 1.349 573 T CB 0.000 68.897 68.868 0.048 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658