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 1h2g_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG LGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQEWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW NNSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.656 174.600 0.093 0.000 1.055 1 S CA 0.000 58.237 58.200 0.061 0.000 1.107 1 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 2 N N 0.934 119.497 118.700 -0.230 0.000 2.402 2 N HA 0.898 5.324 4.740 -0.523 0.000 0.294 2 N C -0.770 174.513 175.510 -0.378 0.000 1.203 2 N CA -0.883 51.941 53.050 -0.376 0.000 0.838 2 N CB 1.074 39.009 38.487 -0.919 0.000 1.306 2 N HN 0.557 nan 8.380 nan 0.000 0.510 3 M N -0.071 119.336 119.600 -0.321 0.000 2.365 3 M HA 0.576 4.743 4.480 -0.523 0.000 0.288 3 M C -2.530 173.656 176.300 -0.189 0.000 1.152 3 M CA -0.395 54.597 55.300 -0.513 0.000 0.948 3 M CB 1.522 33.664 32.600 -0.762 0.000 1.729 3 M HN 0.797 nan 8.290 nan 0.000 0.487 4 W N 3.796 124.951 121.300 -0.243 0.000 2.830 4 W HA 0.793 5.141 4.660 -0.520 0.000 0.335 4 W C -2.185 174.286 176.519 -0.080 0.000 1.043 4 W CA -1.199 56.062 57.345 -0.141 0.000 1.239 4 W CB 0.583 29.947 29.460 -0.161 0.000 1.378 4 W HN 0.492 nan 8.180 nan 0.000 0.456 5 V N 5.120 125.130 119.914 0.159 0.000 2.409 5 V HA 0.470 4.276 4.120 -0.523 0.000 0.291 5 V C -0.196 176.010 176.094 0.188 0.000 1.020 5 V CA -1.016 61.362 62.300 0.131 0.000 0.848 5 V CB 1.385 33.306 31.823 0.165 0.000 0.990 5 V HN 0.611 nan 8.190 nan 0.000 0.430 6 I N 4.108 124.768 120.570 0.150 0.000 2.355 6 I HA 0.602 4.458 4.170 -0.523 0.000 0.288 6 I C 1.008 177.182 176.117 0.096 0.000 0.999 6 I CA -0.055 61.326 61.300 0.136 0.000 1.163 6 I CB 1.616 39.680 38.000 0.108 0.000 1.316 6 I HN 0.728 nan 8.210 nan 0.000 0.454 7 G N 3.928 112.776 108.800 0.080 0.000 2.557 7 G HA2 0.183 3.829 3.960 -0.523 0.000 0.292 7 G HA3 0.183 3.829 3.960 -0.523 0.000 0.292 7 G C 0.685 175.599 174.900 0.024 0.000 1.237 7 G CA -0.465 44.655 45.100 0.033 0.000 0.978 7 G HN 0.700 nan 8.290 nan 0.000 0.498 8 K N -0.735 119.665 120.400 -0.001 0.000 2.089 8 K HA -0.203 3.804 4.320 -0.523 0.000 0.210 8 K C 2.569 179.171 176.600 0.003 0.000 1.048 8 K CA 2.167 58.454 56.287 0.000 0.000 0.926 8 K CB -0.217 32.273 32.500 -0.017 0.000 0.714 8 K HN 0.474 nan 8.250 nan 0.000 0.448 9 S N -0.563 115.136 115.700 -0.001 0.000 2.561 9 S HA 0.022 4.179 4.470 -0.523 0.000 0.225 9 S C 1.399 176.010 174.600 0.017 0.000 0.977 9 S CA 0.511 58.713 58.200 0.004 0.000 0.926 9 S CB 0.241 63.439 63.200 -0.003 0.000 0.769 9 S HN 0.234 nan 8.310 nan 0.000 0.533 10 K N 0.292 120.709 120.400 0.029 0.000 2.438 10 K HA 0.426 4.433 4.320 -0.523 0.000 0.206 10 K C 0.098 176.708 176.600 0.017 0.000 1.081 10 K CA 0.165 56.470 56.287 0.030 0.000 1.053 10 K CB 1.229 33.768 32.500 0.065 0.000 0.908 10 K HN 0.399 nan 8.250 nan 0.000 0.556 11 A N 1.483 124.317 122.820 0.023 0.000 2.310 11 A HA 0.344 4.351 4.320 -0.523 0.000 0.299 11 A C -0.555 177.036 177.584 0.013 0.000 1.147 11 A CA -0.174 51.876 52.037 0.022 0.000 0.818 11 A CB 0.940 19.962 19.000 0.036 0.000 1.096 11 A HN 0.088 nan 8.150 nan 0.000 0.495 12 Q N 1.208 121.012 119.800 0.008 0.000 2.307 12 Q HA 0.441 4.467 4.340 -0.523 0.000 0.262 12 Q C -0.768 175.237 176.000 0.008 0.000 0.961 12 Q CA 0.148 55.952 55.803 0.002 0.000 0.882 12 Q CB 0.845 29.579 28.738 -0.008 0.000 1.264 12 Q HN 0.717 nan 8.270 nan 0.000 0.446 13 D N 1.356 121.761 120.400 0.010 0.000 3.012 13 D HA -0.206 4.120 4.640 -0.523 0.000 0.222 13 D C -1.023 175.292 176.300 0.024 0.000 1.167 13 D CA 1.474 55.482 54.000 0.014 0.000 0.854 13 D CB -1.341 39.465 40.800 0.010 0.000 1.107 13 D HN 0.652 nan 8.370 nan 0.000 0.421 14 A N -1.284 121.554 122.820 0.029 0.000 2.586 14 A HA 0.556 4.562 4.320 -0.523 0.000 0.291 14 A C 0.419 178.031 177.584 0.047 0.000 1.062 14 A CA -0.588 51.474 52.037 0.043 0.000 0.666 14 A CB 1.116 20.145 19.000 0.048 0.000 1.281 14 A HN -0.105 nan 8.150 nan 0.000 0.421 15 K N -0.289 120.150 120.400 0.065 0.000 2.284 15 K HA 0.469 4.475 4.320 -0.523 0.000 0.198 15 K C 0.486 177.126 176.600 0.067 0.000 1.048 15 K CA 1.287 57.608 56.287 0.056 0.000 0.987 15 K CB 0.548 33.077 32.500 0.048 0.000 0.800 15 K HN 0.954 nan 8.250 nan 0.000 0.486 16 A N 1.083 123.971 122.820 0.113 0.000 2.589 16 A HA 0.644 4.651 4.320 -0.523 0.000 0.296 16 A C -1.539 176.119 177.584 0.122 0.000 1.062 16 A CA -0.725 51.388 52.037 0.126 0.000 0.686 16 A CB 1.209 20.302 19.000 0.155 0.000 1.282 16 A HN 0.092 nan 8.150 nan 0.000 0.404 17 I N 1.892 122.517 120.570 0.092 0.000 2.534 17 I HA 0.489 4.346 4.170 -0.523 0.000 0.288 17 I C -0.491 175.650 176.117 0.040 0.000 1.077 17 I CA -0.194 61.141 61.300 0.057 0.000 1.051 17 I CB 2.147 40.189 38.000 0.069 0.000 1.234 17 I HN 0.791 nan 8.210 nan 0.000 0.425 18 M N 7.617 127.206 119.600 -0.019 0.000 2.253 18 M HA 0.677 4.843 4.480 -0.523 0.000 0.314 18 M C -2.010 174.181 176.300 -0.182 0.000 1.019 18 M CA -0.524 54.728 55.300 -0.079 0.000 0.932 18 M CB 1.720 34.294 32.600 -0.044 0.000 1.606 18 M HN 0.356 nan 8.290 nan 0.000 0.430 19 V N 5.098 124.759 119.914 -0.423 0.000 2.443 19 V HA 0.462 4.268 4.120 -0.523 0.000 0.293 19 V C -0.840 174.722 176.094 -0.887 0.000 1.021 19 V CA -0.701 61.210 62.300 -0.648 0.000 0.848 19 V CB 1.752 33.016 31.823 -0.933 0.000 0.998 19 V HN 0.962 nan 8.190 nan 0.000 0.424 20 N N 2.659 121.010 118.700 -0.581 0.000 2.321 20 N HA 0.707 5.134 4.740 -0.523 0.000 0.299 20 N C -0.074 175.133 175.510 -0.505 0.000 1.048 20 N CA -0.406 52.338 53.050 -0.510 0.000 0.836 20 N CB 2.021 40.377 38.487 -0.219 0.000 1.269 20 N HN 0.877 nan 8.380 nan 0.000 0.486 21 G N 3.182 111.689 108.800 -0.490 0.000 4.465 21 G HA2 0.269 3.916 3.960 -0.523 0.000 0.330 21 G HA3 0.269 3.916 3.960 -0.523 0.000 0.330 21 G C -2.792 171.915 174.900 -0.321 0.000 1.475 21 G CA -0.872 43.993 45.100 -0.392 0.000 0.955 21 G HN 0.410 nan 8.290 nan 0.000 0.516 22 P HA 0.083 nan 4.420 nan 0.000 0.271 22 P C -0.644 176.331 177.300 -0.542 0.000 1.220 22 P CA 0.306 63.168 63.100 -0.396 0.000 0.768 22 P CB 1.510 33.026 31.700 -0.307 0.000 0.848 23 Q N 2.453 121.885 119.800 -0.614 0.000 2.394 23 Q HA 0.333 4.359 4.340 -0.523 0.000 0.259 23 Q C -0.483 175.088 176.000 -0.715 0.000 1.021 23 Q CA -0.311 55.166 55.803 -0.544 0.000 0.805 23 Q CB 0.910 29.512 28.738 -0.227 0.000 1.226 23 Q HN 0.463 nan 8.270 nan 0.000 0.476 24 F N 0.510 120.155 119.950 -0.509 0.000 2.706 24 F HA 0.371 4.957 4.527 0.097 0.000 0.313 24 F C 1.095 176.607 175.800 -0.479 0.000 1.096 24 F CA 0.188 57.828 58.000 -0.600 0.000 1.219 24 F CB 1.221 39.488 39.000 -1.221 0.000 1.051 24 F HN 0.744 nan 8.300 nan 0.000 0.568 25 G N -0.325 108.138 108.800 -0.562 0.000 2.631 25 G HA2 -0.162 3.485 3.960 -0.523 0.000 0.504 25 G HA3 -0.162 3.485 3.960 -0.523 0.000 0.504 25 G C -1.258 173.052 174.900 -0.983 0.000 1.306 25 G CA -1.143 43.584 45.100 -0.622 0.000 0.897 25 G HN 0.074 nan 8.290 nan 0.000 0.520 26 W N -0.180 120.686 121.300 -0.722 0.000 2.656 26 W HA 0.673 5.061 4.660 -0.453 0.000 0.327 26 W C -0.891 175.007 176.519 -1.035 0.000 1.041 26 W CA -0.646 56.253 57.345 -0.744 0.000 1.229 26 W CB 1.871 30.798 29.460 -0.888 0.000 1.397 26 W HN 0.568 nan 8.180 nan 0.000 0.479 27 Y N 0.496 120.975 120.300 0.299 0.000 2.609 27 Y HA 0.659 4.883 4.550 -0.544 0.000 0.342 27 Y C -0.191 175.872 175.900 0.272 0.000 1.058 27 Y CA -1.450 56.816 58.100 0.276 0.000 1.055 27 Y CB 1.799 40.392 38.460 0.221 0.000 1.292 27 Y HN 0.366 nan 8.280 nan 0.000 0.476 28 A N 2.600 125.609 122.820 0.315 0.000 2.357 28 A HA 0.754 4.760 4.320 -0.523 0.000 0.295 28 A C -3.014 174.631 177.584 0.102 0.000 1.121 28 A CA -1.874 50.232 52.037 0.115 0.000 0.742 28 A CB 0.939 19.964 19.000 0.041 0.000 1.181 28 A HN 0.344 nan 8.150 nan 0.000 0.454 29 P HA 0.374 nan 4.420 nan 0.000 0.275 29 P C 0.368 177.689 177.300 0.035 0.000 1.266 29 P CA -0.157 62.928 63.100 -0.024 0.000 0.793 29 P CB 0.522 32.215 31.700 -0.012 0.000 1.074 30 A N 0.052 122.870 122.820 -0.003 0.000 2.587 30 A HA -0.146 3.861 4.320 -0.523 0.000 0.233 30 A C 1.030 178.614 177.584 0.001 0.000 1.049 30 A CA 0.250 52.313 52.037 0.043 0.000 0.754 30 A CB -1.043 17.953 19.000 -0.007 0.000 0.977 30 A HN 0.667 nan 8.150 nan 0.000 0.509 31 Y N 2.505 122.770 120.300 -0.058 0.000 2.224 31 Y HA -0.067 4.186 4.550 -0.496 0.000 0.289 31 Y C 1.791 177.455 175.900 -0.393 0.000 1.146 31 Y CA 2.158 60.095 58.100 -0.271 0.000 1.182 31 Y CB -0.065 38.304 38.460 -0.152 0.000 0.983 31 Y HN 0.798 nan 8.280 nan 0.000 0.524 32 T N -2.512 111.988 114.554 -0.090 0.000 2.948 32 T HA 0.347 4.384 4.350 -0.523 0.000 0.285 32 T C -1.494 173.188 174.700 -0.029 0.000 1.019 32 T CA -0.605 61.433 62.100 -0.102 0.000 1.013 32 T CB 1.821 70.738 68.868 0.082 0.000 1.117 32 T HN 0.125 nan 8.240 nan 0.000 0.533 33 Y N -0.120 120.094 120.300 -0.144 0.000 2.361 33 Y HA 0.580 4.813 4.550 -0.528 0.000 0.337 33 Y C 0.174 176.041 175.900 -0.055 0.000 0.965 33 Y CA -0.704 57.331 58.100 -0.108 0.000 1.091 33 Y CB 1.557 39.929 38.460 -0.146 0.000 1.182 33 Y HN 1.126 nan 8.280 nan 0.000 0.450 34 G N 5.314 113.819 108.800 -0.493 0.000 2.390 34 G HA2 0.490 4.136 3.960 -0.523 0.000 0.270 34 G HA3 0.490 4.136 3.960 -0.523 0.000 0.270 34 G C -1.603 173.099 174.900 -0.329 0.000 1.211 34 G CA -0.186 44.726 45.100 -0.314 0.000 0.842 34 G HN 0.670 nan 8.290 nan 0.000 0.519 35 I N 0.741 121.259 120.570 -0.088 0.000 2.785 35 I HA 0.667 4.524 4.170 -0.523 0.000 0.293 35 I C -0.292 175.816 176.117 -0.015 0.000 1.446 35 I CA -0.459 60.840 61.300 -0.000 0.000 1.028 35 I CB 2.152 40.235 38.000 0.138 0.000 1.349 35 I HN 0.751 nan 8.210 nan 0.000 0.438 36 G N 7.079 115.867 108.800 -0.018 0.000 2.590 36 G HA2 0.697 4.344 3.960 -0.523 0.000 0.310 36 G HA3 0.697 4.344 3.960 -0.523 0.000 0.310 36 G C -1.803 172.944 174.900 -0.256 0.000 1.347 36 G CA -0.584 44.457 45.100 -0.098 0.000 0.963 36 G HN 0.602 nan 8.290 nan 0.000 0.494 37 L N 3.035 123.951 121.223 -0.512 0.000 2.356 37 L HA 0.541 4.568 4.340 -0.523 0.000 0.277 37 L C -0.850 175.672 176.870 -0.580 0.000 0.996 37 L CA -0.983 53.626 54.840 -0.386 0.000 0.822 37 L CB 2.208 44.122 42.059 -0.241 0.000 1.256 37 L HN 0.488 nan 8.230 nan 0.000 0.413 38 H N 2.678 121.798 119.070 0.084 0.000 3.013 38 H HA 0.676 4.920 4.556 -0.521 0.000 0.326 38 H C -0.038 175.353 175.328 0.104 0.000 0.973 38 H CA -0.577 55.533 56.048 0.103 0.000 1.369 38 H CB 2.165 31.970 29.762 0.071 0.000 1.598 38 H HN 0.837 nan 8.280 nan 0.000 0.518 39 G N 0.533 109.469 108.800 0.226 0.000 2.339 39 G HA2 0.364 4.011 3.960 -0.523 0.000 0.381 39 G HA3 0.364 4.011 3.960 -0.523 0.000 0.381 39 G C -0.132 174.895 174.900 0.212 0.000 1.400 39 G CA -0.326 44.880 45.100 0.176 0.000 1.002 39 G HN 1.094 nan 8.290 nan 0.000 0.633 40 A N -1.205 121.707 122.820 0.154 0.000 2.822 40 A HA 0.375 4.381 4.320 -0.523 0.000 0.287 40 A C 2.478 180.120 177.584 0.096 0.000 1.479 40 A CA 2.188 54.316 52.037 0.152 0.000 0.779 40 A CB -1.538 17.590 19.000 0.212 0.000 1.022 40 A HN 3.279 nan 8.150 nan 0.000 0.532 41 G N -4.010 104.807 108.800 0.028 0.000 2.217 41 G HA2 -0.260 3.387 3.960 -0.523 0.000 0.246 41 G HA3 -0.260 3.387 3.960 -0.523 0.000 0.246 41 G C 0.011 174.793 174.900 -0.197 0.000 0.990 41 G CA 0.697 45.726 45.100 -0.119 0.000 0.627 41 G HN 1.503 nan 8.290 nan 0.000 0.522 42 Y N 0.337 120.681 120.300 0.072 0.000 2.419 42 Y HA 0.643 4.879 4.550 -0.523 0.000 0.328 42 Y C 0.127 176.075 175.900 0.079 0.000 1.162 42 Y CA -0.696 57.447 58.100 0.071 0.000 1.174 42 Y CB 1.976 40.458 38.460 0.037 0.000 1.228 42 Y HN 0.044 nan 8.280 nan 0.000 0.473 43 D N 1.660 122.212 120.400 0.253 0.000 2.584 43 D HA 0.372 4.698 4.640 -0.523 0.000 0.238 43 D C -1.726 174.672 176.300 0.164 0.000 1.302 43 D CA -0.152 53.985 54.000 0.229 0.000 0.884 43 D CB 0.418 41.361 40.800 0.239 0.000 1.456 43 D HN 0.386 nan 8.370 nan 0.000 0.528 44 V N -0.499 119.421 119.914 0.012 0.000 3.102 44 V HA 0.977 4.783 4.120 -0.523 0.000 0.312 44 V C -0.612 175.402 176.094 -0.134 0.000 1.135 44 V CA -0.524 61.779 62.300 0.004 0.000 1.022 44 V CB 2.026 33.971 31.823 0.203 0.000 1.056 44 V HN 0.271 nan 8.190 nan 0.000 0.436 45 T N 0.314 114.756 114.554 -0.186 0.000 2.932 45 T HA 0.882 4.918 4.350 -0.523 0.000 0.318 45 T C -0.251 174.351 174.700 -0.163 0.000 1.265 45 T CA 0.635 62.636 62.100 -0.165 0.000 1.036 45 T CB 1.121 69.886 68.868 -0.172 0.000 1.209 45 T HN 2.446 nan 8.240 nan 0.000 0.484 46 G N 3.010 111.766 108.800 -0.073 0.000 2.368 46 G HA2 0.389 4.036 3.960 -0.523 0.000 0.269 46 G HA3 0.389 4.036 3.960 -0.523 0.000 0.269 46 G C -1.854 173.067 174.900 0.035 0.000 1.291 46 G CA -0.121 44.968 45.100 -0.018 0.000 0.903 46 G HN 1.248 nan 8.290 nan 0.000 0.483 47 N N -1.761 117.017 118.700 0.131 0.000 2.416 47 N HA 0.745 5.171 4.740 -0.523 0.000 0.276 47 N C -1.010 174.661 175.510 0.268 0.000 1.261 47 N CA -0.150 52.989 53.050 0.148 0.000 0.790 47 N CB 2.615 41.160 38.487 0.097 0.000 1.554 47 N HN 0.751 nan 8.380 nan 0.000 0.481 48 T N -0.193 114.459 114.554 0.163 0.000 2.932 48 T HA 0.537 4.573 4.350 -0.523 0.000 0.318 48 T C -3.084 171.518 174.700 -0.164 0.000 1.265 48 T CA -1.453 60.675 62.100 0.047 0.000 1.036 48 T CB 1.381 70.224 68.868 -0.043 0.000 1.209 48 T HN 0.435 nan 8.240 nan 0.000 0.484 49 P HA 0.321 nan 4.420 nan 0.000 0.268 49 P C -0.014 176.645 177.300 -1.069 0.000 1.204 49 P CA 0.172 62.810 63.100 -0.770 0.000 0.768 49 P CB -0.217 31.071 31.700 -0.686 0.000 0.842 50 F N 1.091 120.498 119.950 -0.904 0.000 3.105 50 F HA -0.290 3.907 4.527 -0.550 0.000 0.280 50 F C 1.278 176.742 175.800 -0.559 0.000 0.894 50 F CA 0.953 58.548 58.000 -0.676 0.000 0.992 50 F CB -2.494 36.147 39.000 -0.599 0.000 1.047 50 F HN 0.557 nan 8.300 nan 0.000 0.607 51 A N -2.379 120.209 122.820 -0.387 0.000 2.745 51 A HA -0.254 3.752 4.320 -0.523 0.000 0.296 51 A C 0.441 177.922 177.584 -0.171 0.000 1.500 51 A CA 0.896 52.754 52.037 -0.299 0.000 0.766 51 A CB -2.365 16.297 19.000 -0.564 0.000 1.030 51 A HN 0.518 nan 8.150 nan 0.000 0.489 52 Y N -1.524 118.711 120.300 -0.109 0.000 2.578 52 Y HA 0.238 4.458 4.550 -0.551 0.000 0.339 52 Y C -0.407 175.415 175.900 -0.130 0.000 1.231 52 Y CA -0.855 57.166 58.100 -0.132 0.000 1.461 52 Y CB -0.394 37.948 38.460 -0.195 0.000 1.323 52 Y HN 0.180 nan 8.280 nan 0.000 0.590 53 P HA -0.126 nan 4.420 nan 0.000 0.217 53 P C 0.391 177.657 177.300 -0.058 0.000 1.151 53 P CA 1.802 64.874 63.100 -0.045 0.000 0.849 53 P CB 0.177 31.837 31.700 -0.068 0.000 0.787 54 G N -0.349 108.440 108.800 -0.019 0.000 2.332 54 G HA2 0.438 4.084 3.960 -0.523 0.000 0.310 54 G HA3 0.438 4.084 3.960 -0.523 0.000 0.310 54 G C -0.927 173.969 174.900 -0.007 0.000 1.123 54 G CA -0.317 44.778 45.100 -0.007 0.000 0.873 54 G HN -0.066 nan 8.290 nan 0.000 0.460 55 L N 2.804 124.073 121.223 0.075 0.000 2.361 55 L HA 0.136 4.162 4.340 -0.523 0.000 0.278 55 L C 1.442 178.425 176.870 0.189 0.000 1.113 55 L CA 0.125 55.058 54.840 0.155 0.000 0.849 55 L CB 1.596 43.848 42.059 0.322 0.000 1.155 55 L HN 0.349 nan 8.230 nan 0.000 0.452 56 V N 3.330 123.140 119.914 -0.172 0.000 2.951 56 V HA -0.004 3.802 4.120 -0.523 0.000 0.255 56 V C 0.018 175.871 176.094 -0.401 0.000 1.088 56 V CA 0.919 62.965 62.300 -0.423 0.000 1.109 56 V CB -0.631 30.592 31.823 -1.000 0.000 0.724 56 V HN 0.466 nan 8.190 nan 0.000 0.471 57 F N -0.132 120.019 119.950 0.335 0.000 2.539 57 F HA 0.807 4.978 4.527 -0.595 0.000 0.328 57 F C 0.454 176.221 175.800 -0.055 0.000 1.148 57 F CA -0.519 57.563 58.000 0.136 0.000 0.940 57 F CB 1.540 40.602 39.000 0.103 0.000 1.194 57 F HN 0.030 nan 8.300 nan 0.000 0.438 58 G N 1.704 110.278 108.800 -0.377 0.000 2.317 58 G HA2 0.493 4.140 3.960 -0.523 0.000 0.293 58 G HA3 0.493 4.140 3.960 -0.523 0.000 0.293 58 G C -2.218 171.918 174.900 -1.274 0.000 1.287 58 G CA -0.707 44.048 45.100 -0.575 0.000 0.850 58 G HN 1.014 nan 8.290 nan 0.000 0.515 59 H N -2.076 116.394 119.070 -1.000 0.000 3.017 59 H HA 0.707 4.948 4.556 -0.525 0.000 0.346 59 H C -0.145 175.040 175.328 -0.239 0.000 1.286 59 H CA -0.393 55.147 56.048 -0.848 0.000 1.120 59 H CB 1.495 31.000 29.762 -0.429 0.000 1.860 59 H HN 0.576 nan 8.280 nan 0.000 0.542 60 N N 0.006 118.786 118.700 0.132 0.000 2.291 60 N HA 0.238 4.665 4.740 -0.523 0.000 0.244 60 N C 1.108 176.791 175.510 0.288 0.000 1.216 60 N CA -0.006 53.185 53.050 0.235 0.000 0.879 60 N CB 0.946 39.687 38.487 0.424 0.000 1.167 60 N HN 1.252 nan 8.380 nan 0.000 0.515 61 G N -0.878 108.223 108.800 0.502 0.000 2.253 61 G HA2 -0.329 3.317 3.960 -0.523 0.000 0.251 61 G HA3 -0.329 3.317 3.960 -0.523 0.000 0.251 61 G C 0.571 175.698 174.900 0.379 0.000 0.998 61 G CA 0.606 45.961 45.100 0.426 0.000 0.621 61 G HN 0.285 nan 8.290 nan 0.000 0.524 62 V N 0.831 120.931 119.914 0.310 0.000 2.996 62 V HA 0.479 4.286 4.120 -0.523 0.000 0.235 62 V C 1.182 177.214 176.094 -0.104 0.000 1.205 62 V CA 1.549 63.914 62.300 0.109 0.000 1.225 62 V CB 0.237 32.131 31.823 0.118 0.000 0.995 62 V HN 0.807 nan 8.190 nan 0.000 0.484 63 I N -1.148 119.480 120.570 0.096 0.000 3.002 63 I HA 0.872 4.728 4.170 -0.523 0.000 0.310 63 I C -0.609 175.662 176.117 0.256 0.000 1.087 63 I CA -0.521 60.729 61.300 -0.083 0.000 1.017 63 I CB 2.468 40.372 38.000 -0.160 0.000 1.226 63 I HN 0.144 nan 8.210 nan 0.000 0.443 64 S N 1.587 117.355 115.700 0.112 0.000 2.570 64 S HA 0.842 4.999 4.470 -0.523 0.000 0.286 64 S C -1.408 173.214 174.600 0.037 0.000 1.099 64 S CA -0.603 57.576 58.200 -0.034 0.000 0.913 64 S CB 1.387 64.570 63.200 -0.028 0.000 1.085 64 S HN 1.005 nan 8.310 nan 0.000 0.480 65 W N -0.019 121.342 121.300 0.100 0.000 3.062 65 W HA 0.930 5.268 4.660 -0.537 0.000 0.336 65 W C -0.315 176.338 176.519 0.224 0.000 1.224 65 W CA -0.749 56.684 57.345 0.148 0.000 1.159 65 W CB 0.855 30.436 29.460 0.201 0.000 1.454 65 W HN 1.083 nan 8.180 nan 0.000 0.569 66 G N 0.039 109.179 108.800 0.567 0.000 2.600 66 G HA2 0.636 4.282 3.960 -0.523 0.000 0.293 66 G HA3 0.636 4.282 3.960 -0.523 0.000 0.293 66 G C -1.784 173.534 174.900 0.696 0.000 1.408 66 G CA -0.967 44.470 45.100 0.561 0.000 0.782 66 G HN 0.669 nan 8.290 nan 0.000 0.482 67 S N -1.409 114.724 115.700 0.723 0.000 2.607 67 S HA 0.902 5.058 4.470 -0.523 0.000 0.273 67 S C -0.697 174.313 174.600 0.683 0.000 1.148 67 S CA -0.189 58.493 58.200 0.804 0.000 0.833 67 S CB 2.051 65.711 63.200 0.767 0.000 1.130 67 S HN 1.557 nan 8.310 nan 0.000 0.470 68 T N -1.354 113.608 114.554 0.680 0.000 2.923 68 T HA 0.794 4.831 4.350 -0.523 0.000 0.311 68 T C -0.497 174.458 174.700 0.425 0.000 1.183 68 T CA -0.744 61.630 62.100 0.458 0.000 1.020 68 T CB 1.341 70.457 68.868 0.414 0.000 1.165 68 T HN 0.898 nan 8.240 nan 0.000 0.482 69 A N 1.099 124.100 122.820 0.301 0.000 2.511 69 A HA 0.572 4.579 4.320 -0.523 0.000 0.242 69 A C 1.529 179.301 177.584 0.312 0.000 1.069 69 A CA 0.153 52.352 52.037 0.271 0.000 0.763 69 A CB -0.381 18.726 19.000 0.179 0.000 1.001 69 A HN 1.376 nan 8.150 nan 0.000 0.498 70 G N 0.654 109.641 108.800 0.311 0.000 2.408 70 G HA2 0.174 3.820 3.960 -0.523 0.000 0.215 70 G HA3 0.174 3.820 3.960 -0.523 0.000 0.215 70 G C 0.752 176.021 174.900 0.615 0.000 1.156 70 G CA 0.506 45.868 45.100 0.437 0.000 0.793 70 G HN 1.189 nan 8.290 nan 0.000 0.535 71 L N -0.307 121.164 121.223 0.413 0.000 3.843 71 L HA -0.171 3.856 4.340 -0.523 0.000 0.411 71 L C 1.284 178.372 176.870 0.364 0.000 1.205 71 L CA -0.136 54.881 54.840 0.295 0.000 0.945 71 L CB -2.288 39.790 42.059 0.031 0.000 1.929 71 L HN 0.354 nan 8.230 nan 0.000 0.934 72 G N -0.547 108.596 108.800 0.572 0.000 2.588 72 G HA2 0.350 3.997 3.960 -0.523 0.000 0.281 72 G HA3 0.350 3.997 3.960 -0.523 0.000 0.281 72 G C -0.326 174.802 174.900 0.380 0.000 1.236 72 G CA -0.068 45.380 45.100 0.581 0.000 0.969 72 G HN 0.224 nan 8.290 nan 0.000 0.504 73 D N -0.101 120.452 120.400 0.255 0.000 2.467 73 D HA 0.198 4.524 4.640 -0.523 0.000 0.220 73 D C -0.103 176.370 176.300 0.288 0.000 1.103 73 D CA -0.607 53.509 54.000 0.193 0.000 0.886 73 D CB 0.923 41.747 40.800 0.040 0.000 1.025 73 D HN 0.309 nan 8.370 nan 0.000 0.514 74 D N 1.945 122.530 120.400 0.308 0.000 2.501 74 D HA 0.082 4.408 4.640 -0.523 0.000 0.224 74 D C -0.393 176.025 176.300 0.197 0.000 1.202 74 D CA -0.297 53.831 54.000 0.213 0.000 0.829 74 D CB 0.159 41.050 40.800 0.151 0.000 1.023 74 D HN 0.033 nan 8.370 nan 0.000 0.499 75 V N 0.741 120.796 119.914 0.235 0.000 2.569 75 V HA 0.399 4.205 4.120 -0.523 0.000 0.301 75 V C -1.095 175.160 176.094 0.268 0.000 1.044 75 V CA -0.738 61.713 62.300 0.252 0.000 0.874 75 V CB 2.131 34.067 31.823 0.188 0.000 1.002 75 V HN -0.016 nan 8.190 nan 0.000 0.424 76 D N 3.705 124.326 120.400 0.368 0.000 2.527 76 D HA 0.579 4.905 4.640 -0.523 0.000 0.233 76 D C -0.840 175.530 176.300 0.116 0.000 1.063 76 D CA -0.401 53.748 54.000 0.249 0.000 0.880 76 D CB 2.636 43.662 40.800 0.377 0.000 1.457 76 D HN 0.180 nan 8.370 nan 0.000 0.475 77 I N 1.549 122.108 120.570 -0.018 0.000 2.354 77 I HA 0.329 4.186 4.170 -0.523 0.000 0.292 77 I C -0.366 175.663 176.117 -0.146 0.000 0.989 77 I CA -0.520 60.783 61.300 0.005 0.000 1.188 77 I CB 0.246 38.251 38.000 0.008 0.000 1.342 77 I HN 0.163 nan 8.210 nan 0.000 0.457 78 F N 4.043 123.931 119.950 -0.103 0.000 2.415 78 F HA 0.542 4.755 4.527 -0.524 0.000 0.348 78 F C 0.755 176.483 175.800 -0.120 0.000 1.119 78 F CA -0.720 57.137 58.000 -0.239 0.000 1.069 78 F CB 1.606 40.199 39.000 -0.678 0.000 1.124 78 F HN 0.522 nan 8.300 nan 0.000 0.472 79 A N 3.915 126.743 122.820 0.014 0.000 2.527 79 A HA 0.343 4.349 4.320 -0.523 0.000 0.313 79 A C -0.010 177.514 177.584 -0.099 0.000 1.410 79 A CA -0.648 51.309 52.037 -0.132 0.000 1.060 79 A CB -0.424 18.505 19.000 -0.119 0.000 1.137 79 A HN 0.579 nan 8.150 nan 0.000 0.542 80 E N 1.306 121.435 120.200 -0.117 0.000 2.338 80 E HA 0.121 4.158 4.350 -0.523 0.000 0.272 80 E C 0.102 176.696 176.600 -0.011 0.000 1.029 80 E CA -0.270 56.113 56.400 -0.028 0.000 0.872 80 E CB 1.011 30.655 29.700 -0.092 0.000 1.015 80 E HN 0.593 nan 8.360 nan 0.000 0.417 81 R N 3.247 123.788 120.500 0.069 0.000 2.216 81 R HA 0.270 4.296 4.340 -0.523 0.000 0.332 81 R C -0.481 175.941 176.300 0.203 0.000 1.056 81 R CA -0.025 56.123 56.100 0.080 0.000 0.901 81 R CB -0.010 30.306 30.300 0.028 0.000 1.039 81 R HN 0.420 nan 8.270 nan 0.000 0.456 82 L N 1.734 123.084 121.223 0.213 0.000 2.347 82 L HA 0.629 4.656 4.340 -0.523 0.000 0.268 82 L C -0.135 176.930 176.870 0.326 0.000 1.019 82 L CA -1.150 53.871 54.840 0.302 0.000 0.806 82 L CB 1.842 43.968 42.059 0.110 0.000 1.339 82 L HN 0.621 nan 8.230 nan 0.000 0.463 83 S N -1.299 114.491 115.700 0.150 0.000 2.603 83 S HA 0.518 4.674 4.470 -0.523 0.000 0.274 83 S C 0.283 174.817 174.600 -0.109 0.000 1.168 83 S CA -0.040 58.121 58.200 -0.065 0.000 0.963 83 S CB 1.757 64.667 63.200 -0.483 0.000 1.078 83 S HN 0.683 nan 8.310 nan 0.000 0.477 84 A N 3.567 126.336 122.820 -0.085 0.000 2.070 84 A HA -0.013 3.993 4.320 -0.523 0.000 0.220 84 A C 1.552 179.071 177.584 -0.108 0.000 1.159 84 A CA 1.692 53.683 52.037 -0.077 0.000 0.656 84 A CB -0.489 18.478 19.000 -0.054 0.000 0.800 84 A HN 0.894 nan 8.150 nan 0.000 0.453 85 E N -0.457 119.641 120.200 -0.170 0.000 2.299 85 E HA -0.003 4.033 4.350 -0.523 0.000 0.193 85 E C -0.008 176.448 176.600 -0.240 0.000 0.998 85 E CA 0.589 56.870 56.400 -0.197 0.000 0.851 85 E CB 0.182 29.737 29.700 -0.242 0.000 0.795 85 E HN 0.274 nan 8.360 nan 0.000 0.492 86 K N 1.517 121.741 120.400 -0.294 0.000 2.679 86 K HA 0.294 4.301 4.320 -0.523 0.000 0.188 86 K C -2.784 173.799 176.600 -0.028 0.000 1.055 86 K CA -1.771 54.349 56.287 -0.279 0.000 1.006 86 K CB 1.317 33.465 32.500 -0.586 0.000 1.317 86 K HN -0.058 nan 8.250 nan 0.000 0.584 87 P HA 0.061 nan 4.420 nan 0.000 0.271 87 P C 0.828 178.207 177.300 0.132 0.000 1.216 87 P CA 0.632 63.749 63.100 0.029 0.000 0.771 87 P CB 0.730 32.436 31.700 0.010 0.000 0.864 88 G N 0.617 109.396 108.800 -0.035 0.000 2.157 88 G HA2 -0.226 3.421 3.960 -0.523 0.000 0.248 88 G HA3 -0.226 3.421 3.960 -0.523 0.000 0.248 88 G C -0.444 174.484 174.900 0.046 0.000 0.979 88 G CA -0.275 44.789 45.100 -0.060 0.000 0.650 88 G HN 0.439 nan 8.290 nan 0.000 0.529 89 Y N -0.692 119.688 120.300 0.133 0.000 2.602 89 Y HA 0.735 4.972 4.550 -0.522 0.000 0.342 89 Y C 0.129 176.298 175.900 0.448 0.000 1.029 89 Y CA -1.244 57.019 58.100 0.272 0.000 1.080 89 Y CB 1.708 40.319 38.460 0.252 0.000 1.284 89 Y HN 0.462 nan 8.280 nan 0.000 0.485 90 Y N -0.515 120.046 120.300 0.435 0.000 2.597 90 Y HA 0.677 4.914 4.550 -0.521 0.000 0.340 90 Y C -1.969 173.921 175.900 -0.017 0.000 1.097 90 Y CA -1.858 56.394 58.100 0.253 0.000 1.037 90 Y CB 0.706 39.222 38.460 0.092 0.000 1.305 90 Y HN 0.464 nan 8.280 nan 0.000 0.463 91 L N 4.301 125.305 121.223 -0.364 0.000 2.281 91 L HA 0.424 4.450 4.340 -0.523 0.000 0.285 91 L C -0.843 175.889 176.870 -0.229 0.000 1.074 91 L CA 0.262 54.641 54.840 -0.769 0.000 0.817 91 L CB -0.120 41.358 42.059 -0.968 0.000 1.168 91 L HN 0.889 nan 8.230 nan 0.000 0.434 92 H N 5.264 124.111 119.070 -0.371 0.000 3.017 92 H HA 0.231 4.474 4.556 -0.522 0.000 0.340 92 H C -0.317 174.906 175.328 -0.176 0.000 1.014 92 H CA -0.386 55.556 56.048 -0.176 0.000 1.341 92 H CB 0.832 30.517 29.762 -0.129 0.000 1.739 92 H HN 0.827 nan 8.280 nan 0.000 0.506 93 N N 3.244 121.621 118.700 -0.538 0.000 2.725 93 N HA -0.246 4.180 4.740 -0.523 0.000 0.251 93 N C 0.976 176.342 175.510 -0.240 0.000 1.031 93 N CA 0.798 53.610 53.050 -0.397 0.000 0.720 93 N CB -0.837 37.382 38.487 -0.445 0.000 0.930 93 N HN 1.025 nan 8.380 nan 0.000 0.543 94 G N -1.169 107.496 108.800 -0.225 0.000 2.184 94 G HA2 -0.377 3.270 3.960 -0.523 0.000 0.264 94 G HA3 -0.377 3.270 3.960 -0.523 0.000 0.264 94 G C 0.037 174.821 174.900 -0.194 0.000 0.975 94 G CA 1.110 46.101 45.100 -0.183 0.000 0.642 94 G HN 0.505 nan 8.290 nan 0.000 0.536 95 K N -1.303 118.957 120.400 -0.233 0.000 2.328 95 K HA 0.533 4.539 4.320 -0.523 0.000 0.246 95 K C -0.964 175.461 176.600 -0.292 0.000 0.955 95 K CA -1.045 55.138 56.287 -0.173 0.000 0.817 95 K CB 1.367 33.823 32.500 -0.074 0.000 1.208 95 K HN 0.108 nan 8.250 nan 0.000 0.432 96 W N 1.908 123.192 121.300 -0.027 0.000 2.358 96 W HA 0.300 4.647 4.660 -0.523 0.000 0.307 96 W C -0.433 176.130 176.519 0.075 0.000 1.203 96 W CA -0.452 56.897 57.345 0.007 0.000 1.279 96 W CB 0.807 30.246 29.460 -0.035 0.000 1.264 96 W HN 0.058 nan 8.180 nan 0.000 0.474 97 V N 4.259 124.173 119.914 0.001 0.000 2.547 97 V HA 0.273 4.080 4.120 -0.523 0.000 0.299 97 V C 0.073 176.026 176.094 -0.236 0.000 1.040 97 V CA -1.471 60.711 62.300 -0.197 0.000 0.913 97 V CB 1.631 33.084 31.823 -0.618 0.000 0.992 97 V HN 0.205 nan 8.190 nan 0.000 0.449 98 K N 4.212 124.453 120.400 -0.266 0.000 2.339 98 K HA 0.385 4.391 4.320 -0.523 0.000 0.286 98 K C -0.220 176.339 176.600 -0.069 0.000 1.050 98 K CA 0.221 56.218 56.287 -0.484 0.000 0.956 98 K CB 0.455 32.720 32.500 -0.392 0.000 0.990 98 K HN 0.600 nan 8.250 nan 0.000 0.475 99 M N 4.469 124.107 119.600 0.064 0.000 2.242 99 M HA 0.181 4.348 4.480 -0.523 0.000 0.344 99 M C -0.151 176.251 176.300 0.171 0.000 1.140 99 M CA -0.305 55.148 55.300 0.254 0.000 1.160 99 M CB 0.595 33.403 32.600 0.348 0.000 1.491 99 M HN 0.374 nan 8.290 nan 0.000 0.459 100 L N 1.659 122.956 121.223 0.124 0.000 2.375 100 L HA 0.462 4.488 4.340 -0.523 0.000 0.271 100 L C 0.180 177.049 176.870 -0.003 0.000 1.107 100 L CA -0.306 54.553 54.840 0.032 0.000 0.806 100 L CB 1.252 43.306 42.059 -0.007 0.000 1.146 100 L HN 0.825 nan 8.230 nan 0.000 0.447 101 S N 2.276 117.878 115.700 -0.163 0.000 2.579 101 S HA 0.851 5.007 4.470 -0.523 0.000 0.272 101 S C -0.971 173.408 174.600 -0.368 0.000 1.141 101 S CA -1.055 56.874 58.200 -0.450 0.000 0.843 101 S CB 2.633 65.248 63.200 -0.976 0.000 1.122 101 S HN 0.778 nan 8.310 nan 0.000 0.468 102 R N 0.412 120.658 120.500 -0.422 0.000 2.668 102 R HA 0.594 4.621 4.340 -0.523 0.000 0.272 102 R C -1.480 174.592 176.300 -0.380 0.000 1.019 102 R CA -0.722 55.188 56.100 -0.316 0.000 0.894 102 R CB 1.557 31.722 30.300 -0.226 0.000 1.228 102 R HN 0.764 nan 8.270 nan 0.000 0.460 103 E N 1.821 121.831 120.200 -0.318 0.000 2.216 103 E HA 0.179 4.216 4.350 -0.523 0.000 0.279 103 E C -0.930 175.451 176.600 -0.365 0.000 0.997 103 E CA -0.587 55.608 56.400 -0.342 0.000 0.817 103 E CB 1.207 30.769 29.700 -0.230 0.000 1.096 103 E HN 0.468 nan 8.360 nan 0.000 0.393 104 E N 2.372 122.245 120.200 -0.546 0.000 2.248 104 E HA 0.327 4.363 4.350 -0.523 0.000 0.267 104 E C -1.272 175.139 176.600 -0.317 0.000 0.877 104 E CA -0.689 55.419 56.400 -0.487 0.000 0.759 104 E CB 2.300 31.572 29.700 -0.715 0.000 1.182 104 E HN 0.399 nan 8.360 nan 0.000 0.418 105 T N 2.886 117.372 114.554 -0.112 0.000 2.786 105 T HA 0.415 4.452 4.350 -0.523 0.000 0.283 105 T C 0.044 174.779 174.700 0.057 0.000 0.992 105 T CA -0.609 61.491 62.100 -0.000 0.000 0.954 105 T CB 0.536 69.394 68.868 -0.018 0.000 0.934 105 T HN 0.182 nan 8.240 nan 0.000 0.440 106 I N 3.836 124.477 120.570 0.119 0.000 2.297 106 I HA 0.230 4.087 4.170 -0.523 0.000 0.291 106 I C 1.008 177.156 176.117 0.051 0.000 1.033 106 I CA -0.435 60.923 61.300 0.096 0.000 1.253 106 I CB 0.277 38.345 38.000 0.113 0.000 1.396 106 I HN 0.523 nan 8.210 nan 0.000 0.476 107 T N 6.182 120.753 114.554 0.030 0.000 2.907 107 T HA 0.460 4.497 4.350 -0.523 0.000 0.298 107 T C 0.197 174.906 174.700 0.015 0.000 1.017 107 T CA -0.197 61.913 62.100 0.017 0.000 1.118 107 T CB 1.294 70.167 68.868 0.008 0.000 0.948 107 T HN 0.301 nan 8.240 nan 0.000 0.531 108 V N 4.077 123.999 119.914 0.013 0.000 2.483 108 V HA 0.372 4.179 4.120 -0.523 0.000 0.297 108 V C 0.218 176.316 176.094 0.007 0.000 1.027 108 V CA -1.149 61.157 62.300 0.010 0.000 0.855 108 V CB 1.769 33.599 31.823 0.012 0.000 0.995 108 V HN 0.758 nan 8.190 nan 0.000 0.424 109 K N 3.933 124.336 120.400 0.005 0.000 2.436 109 K HA 0.101 4.108 4.320 -0.523 0.000 0.282 109 K C 0.675 177.278 176.600 0.006 0.000 1.044 109 K CA 0.678 56.968 56.287 0.005 0.000 1.028 109 K CB -0.263 32.239 32.500 0.004 0.000 0.919 109 K HN 0.864 nan 8.250 nan 0.000 0.474 110 N N 1.350 120.053 118.700 0.006 0.000 2.747 110 N HA -0.206 4.220 4.740 -0.523 0.000 0.249 110 N C -0.390 175.124 175.510 0.007 0.000 1.107 110 N CA 0.457 53.511 53.050 0.007 0.000 0.707 110 N CB -0.619 37.873 38.487 0.007 0.000 1.054 110 N HN 0.789 nan 8.380 nan 0.000 0.555 111 G N -0.418 108.387 108.800 0.008 0.000 2.645 111 G HA2 0.492 4.138 3.960 -0.523 0.000 0.292 111 G HA3 0.492 4.138 3.960 -0.523 0.000 0.292 111 G C -1.720 173.187 174.900 0.011 0.000 1.415 111 G CA -0.640 44.466 45.100 0.009 0.000 0.785 111 G HN 0.094 nan 8.290 nan 0.000 0.483 112 Q N -0.121 119.686 119.800 0.013 0.000 2.243 112 Q HA 0.610 4.636 4.340 -0.523 0.000 0.252 112 Q C 0.394 176.406 176.000 0.020 0.000 0.909 112 Q CA -0.520 55.292 55.803 0.015 0.000 0.922 112 Q CB 1.326 30.073 28.738 0.015 0.000 1.215 112 Q HN 0.833 nan 8.270 nan 0.000 0.427 113 A N 4.082 126.914 122.820 0.021 0.000 2.445 113 A HA 0.189 4.195 4.320 -0.523 0.000 0.242 113 A C -0.636 176.973 177.584 0.042 0.000 1.075 113 A CA 0.003 52.058 52.037 0.029 0.000 0.777 113 A CB 0.339 19.353 19.000 0.024 0.000 1.013 113 A HN 0.804 nan 8.150 nan 0.000 0.493 114 E N 0.584 120.822 120.200 0.063 0.000 2.222 114 E HA 0.511 4.548 4.350 -0.523 0.000 0.267 114 E C -0.653 176.038 176.600 0.152 0.000 0.884 114 E CA -0.675 55.780 56.400 0.091 0.000 0.764 114 E CB 1.986 31.734 29.700 0.080 0.000 1.169 114 E HN 0.725 nan 8.360 nan 0.000 0.413 115 T N -0.079 114.565 114.554 0.150 0.000 2.887 115 T HA 0.766 4.803 4.350 -0.523 0.000 0.288 115 T C -0.649 174.199 174.700 0.247 0.000 1.021 115 T CA -0.678 61.509 62.100 0.145 0.000 1.000 115 T CB 0.738 69.619 68.868 0.022 0.000 1.034 115 T HN 0.455 nan 8.240 nan 0.000 0.467 116 F N -1.228 118.715 119.950 -0.012 0.000 2.745 116 F HA 0.824 5.037 4.527 -0.523 0.000 0.316 116 F C -1.045 174.727 175.800 -0.046 0.000 1.155 116 F CA -1.154 56.844 58.000 -0.003 0.000 0.937 116 F CB 0.956 39.966 39.000 0.017 0.000 1.361 116 F HN 0.603 nan 8.300 nan 0.000 0.472 117 T N 1.430 115.961 114.554 -0.039 0.000 2.885 117 T HA 0.692 4.728 4.350 -0.523 0.000 0.285 117 T C -1.177 173.408 174.700 -0.191 0.000 1.019 117 T CA -0.619 61.297 62.100 -0.308 0.000 1.010 117 T CB 1.922 70.572 68.868 -0.363 0.000 1.022 117 T HN 0.585 nan 8.240 nan 0.000 0.466 118 V N 2.588 122.284 119.914 -0.363 0.000 2.448 118 V HA 0.510 4.317 4.120 -0.523 0.000 0.295 118 V C -1.094 174.827 176.094 -0.288 0.000 1.025 118 V CA -1.004 61.222 62.300 -0.123 0.000 0.859 118 V CB 1.278 33.075 31.823 -0.045 0.000 0.988 118 V HN 0.841 nan 8.190 nan 0.000 0.431 119 W N 3.664 124.978 121.300 0.023 0.000 2.570 119 W HA 0.826 5.172 4.660 -0.524 0.000 0.337 119 W C 0.201 176.702 176.519 -0.030 0.000 1.067 119 W CA -0.593 56.748 57.345 -0.006 0.000 1.229 119 W CB 1.414 30.874 29.460 0.001 0.000 1.355 119 W HN 0.411 nan 8.180 nan 0.000 0.555 120 R N 1.157 121.770 120.500 0.188 0.000 2.626 120 R HA 0.575 4.602 4.340 -0.523 0.000 0.274 120 R C -0.490 175.795 176.300 -0.025 0.000 1.031 120 R CA -0.355 55.774 56.100 0.047 0.000 0.898 120 R CB 1.733 32.038 30.300 0.008 0.000 1.222 120 R HN 0.619 nan 8.270 nan 0.000 0.455 121 T N -1.032 113.427 114.554 -0.158 0.000 2.841 121 T HA 0.179 4.216 4.350 -0.523 0.000 0.276 121 T C 0.876 175.415 174.700 -0.269 0.000 1.003 121 T CA -0.434 61.472 62.100 -0.323 0.000 0.995 121 T CB 1.196 69.590 68.868 -0.790 0.000 1.260 121 T HN 0.281 nan 8.240 nan 0.000 0.581 122 V N 0.507 120.217 119.914 -0.341 0.000 2.688 122 V HA -0.122 3.685 4.120 -0.523 0.000 0.256 122 V C 1.768 177.500 176.094 -0.604 0.000 1.084 122 V CA 1.913 63.937 62.300 -0.460 0.000 1.103 122 V CB -1.330 30.102 31.823 -0.651 0.000 0.688 122 V HN 0.950 nan 8.190 nan 0.000 0.480 123 H N -0.400 118.405 119.070 -0.442 0.000 2.551 123 H HA 0.538 4.780 4.556 -0.523 0.000 0.271 123 H C 0.839 175.970 175.328 -0.329 0.000 0.984 123 H CA 0.460 56.184 56.048 -0.540 0.000 1.164 123 H CB 0.545 29.883 29.762 -0.707 0.000 1.437 123 H HN 0.638 nan 8.280 nan 0.000 0.550 124 G N -0.027 108.684 108.800 -0.149 0.000 2.331 124 G HA2 -0.176 3.470 3.960 -0.523 0.000 0.402 124 G HA3 -0.176 3.470 3.960 -0.523 0.000 0.402 124 G C -1.335 173.537 174.900 -0.047 0.000 1.275 124 G CA -1.071 43.975 45.100 -0.091 0.000 1.003 124 G HN 0.276 nan 8.290 nan 0.000 0.500 125 N N -0.034 118.662 118.700 -0.007 0.000 2.518 125 N HA 0.320 4.746 4.740 -0.523 0.000 0.266 125 N C 0.225 175.774 175.510 0.064 0.000 1.196 125 N CA -0.530 52.544 53.050 0.040 0.000 0.947 125 N CB 0.664 39.188 38.487 0.062 0.000 1.098 125 N HN 0.310 nan 8.380 nan 0.000 0.450 126 I N 3.142 123.771 120.570 0.099 0.000 2.471 126 I HA -0.024 3.832 4.170 -0.523 0.000 0.286 126 I C 1.313 177.513 176.117 0.138 0.000 1.079 126 I CA 0.341 61.705 61.300 0.107 0.000 1.398 126 I CB 0.995 39.063 38.000 0.114 0.000 1.403 126 I HN 0.578 nan 8.210 nan 0.000 0.530 127 L N 5.230 126.536 121.223 0.139 0.000 2.168 127 L HA 0.031 4.057 4.340 -0.523 0.000 0.203 127 L C 0.614 177.568 176.870 0.139 0.000 1.078 127 L CA 0.593 55.514 54.840 0.135 0.000 0.780 127 L CB -0.018 42.116 42.059 0.124 0.000 0.939 127 L HN 0.722 nan 8.230 nan 0.000 0.451 128 Q N -1.949 117.952 119.800 0.169 0.000 2.578 128 Q HA 0.441 4.468 4.340 -0.523 0.000 0.284 128 Q C -1.382 174.717 176.000 0.165 0.000 0.960 128 Q CA -0.807 55.093 55.803 0.162 0.000 0.809 128 Q CB 1.686 30.522 28.738 0.164 0.000 1.462 128 Q HN -0.211 nan 8.270 nan 0.000 0.392 129 T N 1.028 115.642 114.554 0.099 0.000 2.908 129 T HA 0.443 4.480 4.350 -0.523 0.000 0.290 129 T C -1.514 173.214 174.700 0.046 0.000 1.034 129 T CA -0.550 61.569 62.100 0.030 0.000 1.010 129 T CB 1.416 70.268 68.868 -0.026 0.000 1.068 129 T HN 0.599 nan 8.240 nan 0.000 0.481 130 D N 1.638 122.042 120.400 0.008 0.000 2.408 130 D HA 0.177 4.503 4.640 -0.523 0.000 0.261 130 D C 0.877 177.174 176.300 -0.005 0.000 1.190 130 D CA -0.403 53.613 54.000 0.026 0.000 0.910 130 D CB 1.077 41.911 40.800 0.057 0.000 1.097 130 D HN 0.262 nan 8.370 nan 0.000 0.522 131 Q N 1.149 120.948 119.800 -0.001 0.000 2.226 131 Q HA -0.087 3.940 4.340 -0.523 0.000 0.204 131 Q C 1.441 177.439 176.000 -0.002 0.000 0.975 131 Q CA 1.111 56.909 55.803 -0.008 0.000 0.866 131 Q CB -0.078 28.657 28.738 -0.005 0.000 0.915 131 Q HN 0.475 nan 8.270 nan 0.000 0.440 132 T N 0.307 114.865 114.554 0.006 0.000 2.652 132 T HA -0.137 3.899 4.350 -0.523 0.000 0.267 132 T C 1.837 176.541 174.700 0.006 0.000 1.039 132 T CA 2.029 64.134 62.100 0.008 0.000 1.153 132 T CB -0.229 68.648 68.868 0.015 0.000 0.863 132 T HN 0.361 nan 8.240 nan 0.000 0.428 133 T N 0.227 114.784 114.554 0.005 0.000 3.081 133 T HA 0.029 4.066 4.350 -0.523 0.000 0.250 133 T C 0.105 174.800 174.700 -0.008 0.000 1.100 133 T CA 0.094 62.194 62.100 0.000 0.000 1.038 133 T CB -0.198 68.670 68.868 0.000 0.000 0.962 133 T HN 0.219 nan 8.240 nan 0.000 0.516 134 Q N 1.730 121.521 119.800 -0.014 0.000 2.459 134 Q HA -0.106 3.921 4.340 -0.523 0.000 0.322 134 Q C -0.762 175.218 176.000 -0.033 0.000 1.427 134 Q CA 0.740 56.536 55.803 -0.012 0.000 0.861 134 Q CB -2.353 26.395 28.738 0.015 0.000 1.137 134 Q HN 0.505 nan 8.270 nan 0.000 0.394 135 T N -0.182 114.316 114.554 -0.094 0.000 2.893 135 T HA 0.795 4.832 4.350 -0.523 0.000 0.293 135 T C -0.686 173.853 174.700 -0.268 0.000 1.027 135 T CA 0.035 62.010 62.100 -0.207 0.000 0.988 135 T CB 1.927 70.602 68.868 -0.322 0.000 1.043 135 T HN 0.396 nan 8.240 nan 0.000 0.461 136 A N 2.436 125.078 122.820 -0.297 0.000 2.356 136 A HA 0.762 4.769 4.320 -0.523 0.000 0.310 136 A C -1.681 175.730 177.584 -0.289 0.000 1.075 136 A CA -0.661 51.242 52.037 -0.222 0.000 0.746 136 A CB 0.773 19.688 19.000 -0.142 0.000 1.221 136 A HN 0.789 nan 8.150 nan 0.000 0.443 137 Y N 1.158 121.455 120.300 -0.005 0.000 2.341 137 Y HA 0.538 4.775 4.550 -0.521 0.000 0.340 137 Y C 0.728 176.632 175.900 0.007 0.000 0.997 137 Y CA 0.018 58.118 58.100 0.001 0.000 1.149 137 Y CB 1.699 40.165 38.460 0.010 0.000 1.171 137 Y HN 0.819 nan 8.280 nan 0.000 0.494 138 A N 4.090 126.999 122.820 0.148 0.000 2.330 138 A HA 0.578 4.584 4.320 -0.523 0.000 0.327 138 A C -0.658 177.002 177.584 0.127 0.000 1.155 138 A CA -1.059 51.033 52.037 0.091 0.000 0.803 138 A CB 0.807 19.817 19.000 0.016 0.000 1.208 138 A HN 0.723 nan 8.150 nan 0.000 0.477 139 K N 1.862 122.314 120.400 0.087 0.000 2.264 139 K HA 0.382 4.389 4.320 -0.523 0.000 0.277 139 K C -0.440 176.177 176.600 0.028 0.000 1.067 139 K CA -0.004 56.330 56.287 0.078 0.000 0.900 139 K CB 0.670 33.209 32.500 0.066 0.000 1.124 139 K HN 0.561 nan 8.250 nan 0.000 0.469 140 S N 4.499 120.238 115.700 0.065 0.000 2.422 140 S HA 0.390 4.547 4.470 -0.523 0.000 0.308 140 S C -0.749 173.902 174.600 0.086 0.000 1.097 140 S CA -0.846 57.335 58.200 -0.033 0.000 1.099 140 S CB 0.386 63.465 63.200 -0.200 0.000 0.976 140 S HN 0.627 nan 8.310 nan 0.000 0.471 141 R N 3.116 123.550 120.500 -0.110 0.000 2.338 141 R HA 0.527 4.553 4.340 -0.523 0.000 0.317 141 R C 1.117 177.323 176.300 -0.158 0.000 0.968 141 R CA -0.277 55.609 56.100 -0.356 0.000 0.849 141 R CB 1.140 30.682 30.300 -1.264 0.000 1.128 141 R HN 0.701 nan 8.270 nan 0.000 0.448 142 A N 4.083 126.901 122.820 -0.003 0.000 2.125 142 A HA -0.110 3.897 4.320 -0.523 0.000 0.219 142 A C 1.030 178.626 177.584 0.020 0.000 1.156 142 A CA 0.762 52.817 52.037 0.030 0.000 0.671 142 A CB -0.415 18.460 19.000 -0.209 0.000 0.794 142 A HN 0.954 nan 8.150 nan 0.000 0.459 143 W N -0.600 120.718 121.300 0.029 0.000 3.290 143 W HA 0.218 4.576 4.660 -0.502 0.000 0.287 143 W C -0.405 176.130 176.519 0.027 0.000 1.288 143 W CA -0.285 57.053 57.345 -0.012 0.000 1.725 143 W CB -0.692 28.743 29.460 -0.041 0.000 1.103 143 W HN 0.189 nan 8.180 nan 0.000 0.670 144 D N 1.828 122.187 120.400 -0.069 0.000 2.472 144 D HA 0.156 4.483 4.640 -0.523 0.000 0.248 144 D C 1.493 177.836 176.300 0.071 0.000 1.174 144 D CA 2.349 56.323 54.000 -0.044 0.000 0.883 144 D CB 0.716 41.416 40.800 -0.166 0.000 1.149 144 D HN 0.370 nan 8.370 nan 0.000 0.488 145 G N 4.144 113.011 108.800 0.112 0.000 2.194 145 G HA2 -0.272 3.375 3.960 -0.523 0.000 0.236 145 G HA3 -0.272 3.375 3.960 -0.523 0.000 0.236 145 G C 0.859 175.811 174.900 0.086 0.000 0.987 145 G CA 0.329 45.475 45.100 0.078 0.000 0.635 145 G HN 0.574 nan 8.290 nan 0.000 0.520 146 K N -0.074 120.406 120.400 0.133 0.000 2.478 146 K HA 0.329 4.335 4.320 -0.523 0.000 0.205 146 K C 1.417 178.071 176.600 0.090 0.000 1.033 146 K CA 0.133 56.475 56.287 0.091 0.000 1.091 146 K CB 0.538 33.082 32.500 0.072 0.000 0.844 146 K HN 0.281 nan 8.250 nan 0.000 0.507 147 E N 0.733 121.013 120.200 0.133 0.000 2.038 147 E HA -0.167 3.869 4.350 -0.523 0.000 0.195 147 E C 1.756 178.362 176.600 0.009 0.000 1.000 147 E CA 1.355 57.798 56.400 0.071 0.000 0.803 147 E CB -0.105 29.659 29.700 0.107 0.000 0.750 147 E HN -0.019 nan 8.360 nan 0.000 0.448 148 V N 0.900 120.825 119.914 0.018 0.000 2.427 148 V HA -0.233 3.574 4.120 -0.523 0.000 0.248 148 V C 2.179 178.271 176.094 -0.003 0.000 1.051 148 V CA 1.675 63.975 62.300 -0.001 0.000 1.048 148 V CB -0.799 31.027 31.823 0.006 0.000 0.666 148 V HN 0.354 nan 8.190 nan 0.000 0.456 149 A N -0.283 122.537 122.820 0.000 0.000 1.933 149 A HA -0.187 3.820 4.320 -0.523 0.000 0.218 149 A C 2.474 180.042 177.584 -0.026 0.000 1.175 149 A CA 2.141 54.172 52.037 -0.011 0.000 0.628 149 A CB -0.572 18.413 19.000 -0.025 0.000 0.814 149 A HN 0.515 nan 8.150 nan 0.000 0.444 150 S N -0.476 115.207 115.700 -0.029 0.000 2.383 150 S HA -0.095 4.061 4.470 -0.523 0.000 0.227 150 S C 1.879 176.541 174.600 0.104 0.000 1.026 150 S CA 1.202 59.387 58.200 -0.024 0.000 0.981 150 S CB -0.444 62.731 63.200 -0.042 0.000 0.818 150 S HN 0.598 nan 8.310 nan 0.000 0.472 151 L N 1.268 122.523 121.223 0.053 0.000 2.046 151 L HA -0.046 3.981 4.340 -0.523 0.000 0.208 151 L C 2.010 178.905 176.870 0.041 0.000 1.077 151 L CA 1.361 56.222 54.840 0.035 0.000 0.747 151 L CB -0.260 41.760 42.059 -0.066 0.000 0.896 151 L HN 0.284 nan 8.230 nan 0.000 0.432 152 L N -0.107 121.110 121.223 -0.010 0.000 2.093 152 L HA -0.158 3.868 4.340 -0.523 0.000 0.208 152 L C 2.873 179.709 176.870 -0.057 0.000 1.085 152 L CA 1.039 55.824 54.840 -0.092 0.000 0.755 152 L CB -0.767 41.279 42.059 -0.022 0.000 0.904 152 L HN 0.367 nan 8.230 nan 0.000 0.435 153 A N -0.838 122.002 122.820 0.033 0.000 1.933 153 A HA -0.248 3.758 4.320 -0.523 0.000 0.218 153 A C 2.080 179.747 177.584 0.139 0.000 1.175 153 A CA 1.165 53.223 52.037 0.034 0.000 0.628 153 A CB -0.843 18.081 19.000 -0.126 0.000 0.814 153 A HN 0.581 nan 8.150 nan 0.000 0.444 154 W N 0.972 122.309 121.300 0.062 0.000 2.595 154 W HA -0.031 4.303 4.660 -0.543 0.000 0.257 154 W C 1.685 178.123 176.519 -0.135 0.000 1.267 154 W CA 1.669 59.032 57.345 0.030 0.000 1.300 154 W CB -0.543 28.938 29.460 0.035 0.000 1.120 154 W HN 0.394 nan 8.180 nan 0.000 0.618 155 T N -1.914 112.689 114.554 0.081 0.000 2.904 155 T HA -0.081 3.956 4.350 -0.523 0.000 0.243 155 T C 1.261 175.990 174.700 0.049 0.000 1.024 155 T CA 1.228 63.309 62.100 -0.032 0.000 1.158 155 T CB -0.452 68.305 68.868 -0.185 0.000 0.867 155 T HN 0.125 nan 8.240 nan 0.000 0.429 156 H N 1.759 120.900 119.070 0.118 0.000 2.456 156 H HA -0.091 4.153 4.556 -0.521 0.000 0.296 156 H C 2.493 177.807 175.328 -0.024 0.000 1.079 156 H CA 1.302 57.388 56.048 0.062 0.000 1.322 156 H CB -0.030 29.735 29.762 0.003 0.000 1.388 156 H HN 0.451 nan 8.280 nan 0.000 0.538 157 Q N 0.564 120.372 119.800 0.014 0.000 2.291 157 Q HA -0.138 3.889 4.340 -0.523 0.000 0.206 157 Q C 1.775 177.637 176.000 -0.230 0.000 0.976 157 Q CA 1.504 57.238 55.803 -0.115 0.000 0.875 157 Q CB -0.338 28.221 28.738 -0.299 0.000 0.927 157 Q HN 0.478 nan 8.270 nan 0.000 0.450 158 M N 0.135 119.547 119.600 -0.315 0.000 2.446 158 M HA -0.058 4.109 4.480 -0.523 0.000 0.263 158 M C 1.311 177.629 176.300 0.030 0.000 1.066 158 M CA 1.362 56.424 55.300 -0.397 0.000 1.087 158 M CB -0.040 32.562 32.600 0.003 0.000 1.406 158 M HN 0.209 nan 8.290 nan 0.000 0.459 159 K N 0.164 120.582 120.400 0.031 0.000 2.393 159 K HA 0.248 4.254 4.320 -0.523 0.000 0.193 159 K C 0.491 177.134 176.600 0.073 0.000 1.026 159 K CA -0.254 56.033 56.287 0.001 0.000 1.064 159 K CB 0.280 32.673 32.500 -0.177 0.000 0.833 159 K HN 0.171 nan 8.250 nan 0.000 0.521 160 A N 1.414 124.314 122.820 0.135 0.000 2.462 160 A HA 0.065 4.072 4.320 -0.523 0.000 0.243 160 A C 0.369 178.101 177.584 0.246 0.000 1.076 160 A CA 0.207 52.369 52.037 0.208 0.000 0.773 160 A CB 0.355 19.560 19.000 0.342 0.000 1.010 160 A HN 0.075 nan 8.150 nan 0.000 0.493 161 K N 0.442 120.968 120.400 0.211 0.000 2.373 161 K HA 0.159 4.165 4.320 -0.523 0.000 0.200 161 K C -0.285 176.457 176.600 0.238 0.000 1.054 161 K CA 0.652 57.057 56.287 0.196 0.000 1.065 161 K CB 0.370 32.950 32.500 0.132 0.000 0.886 161 K HN 0.918 nan 8.250 nan 0.000 0.546 162 N N -2.882 116.003 118.700 0.308 0.000 3.106 162 N HA 0.045 4.472 4.740 -0.523 0.000 0.253 162 N C -0.148 175.586 175.510 0.373 0.000 1.506 162 N CA -0.994 52.272 53.050 0.361 0.000 0.876 162 N CB -0.213 38.408 38.487 0.224 0.000 1.452 162 N HN -0.033 nan 8.380 nan 0.000 0.542 163 W N 0.250 121.518 121.300 -0.053 0.000 2.338 163 W HA -0.201 4.143 4.660 -0.526 0.000 0.304 163 W C 1.477 177.949 176.519 -0.077 0.000 1.212 163 W CA 2.239 59.379 57.345 -0.342 0.000 1.264 163 W CB 0.075 29.103 29.460 -0.720 0.000 1.142 163 W HN 0.829 nan 8.180 nan 0.000 0.512 164 Q N 0.564 120.355 119.800 -0.015 0.000 2.061 164 Q HA -0.261 3.766 4.340 -0.523 0.000 0.204 164 Q C 2.042 177.989 176.000 -0.089 0.000 0.984 164 Q CA 2.298 58.042 55.803 -0.099 0.000 0.846 164 Q CB -0.430 28.301 28.738 -0.012 0.000 0.902 164 Q HN 0.382 nan 8.270 nan 0.000 0.421 165 E N -0.698 119.514 120.200 0.020 0.000 2.150 165 E HA -0.190 3.847 4.350 -0.523 0.000 0.193 165 E C 1.493 178.125 176.600 0.052 0.000 0.985 165 E CA 0.951 57.367 56.400 0.028 0.000 0.814 165 E CB -0.212 29.536 29.700 0.081 0.000 0.752 165 E HN 0.493 nan 8.360 nan 0.000 0.466 166 W N 1.760 123.013 121.300 -0.079 0.000 2.407 166 W HA -0.178 4.163 4.660 -0.532 0.000 0.305 166 W C 2.539 178.941 176.519 -0.195 0.000 1.196 166 W CA 2.488 59.805 57.345 -0.046 0.000 1.311 166 W CB -0.399 29.148 29.460 0.145 0.000 1.135 166 W HN 0.017 nan 8.180 nan 0.000 0.514 167 T N -1.333 113.017 114.554 -0.339 0.000 2.881 167 T HA -0.307 3.729 4.350 -0.523 0.000 0.270 167 T C 1.698 176.050 174.700 -0.580 0.000 1.068 167 T CA 1.616 63.368 62.100 -0.578 0.000 1.131 167 T CB -0.725 67.743 68.868 -0.667 0.000 0.871 167 T HN 0.459 nan 8.240 nan 0.000 0.479 168 Q N 0.189 119.742 119.800 -0.413 0.000 2.135 168 Q HA -0.178 3.849 4.340 -0.523 0.000 0.204 168 Q C 2.382 178.119 176.000 -0.440 0.000 0.981 168 Q CA 1.269 56.838 55.803 -0.390 0.000 0.856 168 Q CB -0.064 28.530 28.738 -0.240 0.000 0.902 168 Q HN 0.473 nan 8.270 nan 0.000 0.425 169 Q N -0.618 118.944 119.800 -0.397 0.000 2.163 169 Q HA 0.028 4.054 4.340 -0.523 0.000 0.198 169 Q C 1.971 177.608 176.000 -0.605 0.000 0.954 169 Q CA 1.125 56.711 55.803 -0.361 0.000 0.851 169 Q CB -0.253 28.376 28.738 -0.181 0.000 0.928 169 Q HN 0.454 nan 8.270 nan 0.000 0.459 170 A N 1.331 123.660 122.820 -0.818 0.000 1.940 170 A HA -0.102 3.905 4.320 -0.523 0.000 0.219 170 A C 2.244 179.204 177.584 -1.040 0.000 1.176 170 A CA 1.827 53.143 52.037 -1.201 0.000 0.631 170 A CB -0.610 17.795 19.000 -0.992 0.000 0.814 170 A HN 0.333 nan 8.150 nan 0.000 0.446 171 A N -0.710 121.397 122.820 -1.188 0.000 2.172 171 A HA -0.072 3.935 4.320 -0.523 0.000 0.216 171 A C 1.902 179.075 177.584 -0.686 0.000 1.154 171 A CA 1.521 52.748 52.037 -1.350 0.000 0.701 171 A CB -0.289 17.699 19.000 -1.687 0.000 0.789 171 A HN 0.564 nan 8.150 nan 0.000 0.465 172 K N -0.804 119.242 120.400 -0.590 0.000 2.353 172 K HA 0.086 4.093 4.320 -0.523 0.000 0.195 172 K C 0.542 176.916 176.600 -0.378 0.000 1.031 172 K CA -0.148 55.907 56.287 -0.387 0.000 1.079 172 K CB 0.349 32.680 32.500 -0.281 0.000 0.857 172 K HN 0.283 nan 8.250 nan 0.000 0.535 173 Q N 0.859 120.312 119.800 -0.578 0.000 2.314 173 Q HA 0.221 4.247 4.340 -0.523 0.000 0.257 173 Q C 0.036 175.754 176.000 -0.470 0.000 0.975 173 Q CA -0.023 55.416 55.803 -0.607 0.000 0.933 173 Q CB 1.601 29.640 28.738 -1.166 0.000 1.195 173 Q HN 0.219 nan 8.270 nan 0.000 0.426 174 A N 5.475 128.120 122.820 -0.291 0.000 2.220 174 A HA 0.217 4.224 4.320 -0.523 0.000 0.211 174 A C 0.735 178.203 177.584 -0.194 0.000 1.176 174 A CA -0.043 51.877 52.037 -0.194 0.000 0.834 174 A CB 0.279 19.258 19.000 -0.035 0.000 0.868 174 A HN 0.671 nan 8.150 nan 0.000 0.488 175 L N -0.154 120.904 121.223 -0.274 0.000 2.453 175 L HA 0.176 4.203 4.340 -0.523 0.000 0.261 175 L C 0.919 177.672 176.870 -0.195 0.000 1.179 175 L CA -0.229 54.425 54.840 -0.311 0.000 0.813 175 L CB 0.595 42.481 42.059 -0.289 0.000 1.110 175 L HN 0.100 nan 8.230 nan 0.000 0.466 176 T N 4.004 118.524 114.554 -0.057 0.000 2.978 176 T HA 0.365 4.402 4.350 -0.523 0.000 0.278 176 T C -0.334 174.384 174.700 0.030 0.000 0.945 176 T CA -0.348 61.778 62.100 0.044 0.000 1.070 176 T CB -0.877 68.181 68.868 0.316 0.000 0.948 176 T HN 0.217 nan 8.240 nan 0.000 0.617 177 I N 4.386 124.894 120.570 -0.102 0.000 2.569 177 I HA 0.373 4.229 4.170 -0.523 0.000 0.290 177 I C -0.201 175.905 176.117 -0.019 0.000 1.088 177 I CA -1.107 60.224 61.300 0.051 0.000 1.047 177 I CB 2.085 40.195 38.000 0.183 0.000 1.237 177 I HN 0.463 nan 8.210 nan 0.000 0.421 178 N N 4.492 123.317 118.700 0.208 0.000 2.458 178 N HA 0.194 4.620 4.740 -0.523 0.000 0.270 178 N C -1.056 174.654 175.510 0.333 0.000 1.102 178 N CA -0.083 53.081 53.050 0.190 0.000 0.967 178 N CB 1.276 40.028 38.487 0.442 0.000 1.078 178 N HN 0.371 nan 8.380 nan 0.000 0.471 179 W N 2.315 123.499 121.300 -0.193 0.000 2.570 179 W HA 0.408 4.741 4.660 -0.546 0.000 0.337 179 W C -0.502 176.081 176.519 0.108 0.000 1.067 179 W CA -0.517 56.881 57.345 0.088 0.000 1.229 179 W CB 0.409 29.868 29.460 -0.001 0.000 1.355 179 W HN 0.354 nan 8.180 nan 0.000 0.555 180 Y N 1.952 122.770 120.300 0.864 0.000 2.512 180 Y HA 0.457 4.682 4.550 -0.541 0.000 0.348 180 Y C -0.904 175.220 175.900 0.373 0.000 0.990 180 Y CA -1.557 56.932 58.100 0.648 0.000 1.033 180 Y CB 1.925 40.656 38.460 0.451 0.000 1.259 180 Y HN 0.306 nan 8.280 nan 0.000 0.461 181 Y N 1.286 121.668 120.300 0.137 0.000 2.492 181 Y HA 0.870 5.104 4.550 -0.526 0.000 0.346 181 Y C -1.376 174.536 175.900 0.020 0.000 0.997 181 Y CA -1.113 56.852 58.100 -0.225 0.000 1.025 181 Y CB 1.582 39.664 38.460 -0.628 0.000 1.263 181 Y HN 0.806 nan 8.280 nan 0.000 0.454 182 A N 4.042 126.615 122.820 -0.412 0.000 2.556 182 A HA 0.765 4.771 4.320 -0.523 0.000 0.294 182 A C -1.841 175.341 177.584 -0.670 0.000 1.091 182 A CA -0.319 51.576 52.037 -0.237 0.000 0.704 182 A CB 1.627 20.675 19.000 0.079 0.000 1.300 182 A HN 0.828 nan 8.150 nan 0.000 0.406 183 D N -1.407 118.606 120.400 -0.646 0.000 2.596 183 D HA 0.387 4.714 4.640 -0.523 0.000 0.262 183 D C 0.767 176.317 176.300 -1.250 0.000 1.210 183 D CA 0.155 53.491 54.000 -1.107 0.000 0.873 183 D CB 0.512 40.999 40.800 -0.521 0.000 1.408 183 D HN 0.928 nan 8.370 nan 0.000 0.441 184 V N -1.384 117.796 119.914 -1.223 0.000 2.688 184 V HA -0.143 3.663 4.120 -0.523 0.000 0.256 184 V C 0.989 176.974 176.094 -0.181 0.000 1.084 184 V CA 1.543 63.539 62.300 -0.506 0.000 1.103 184 V CB -0.951 30.763 31.823 -0.182 0.000 0.688 184 V HN 0.526 nan 8.190 nan 0.000 0.480 185 N N 0.790 119.390 118.700 -0.167 0.000 2.398 185 N HA 0.227 4.654 4.740 -0.523 0.000 0.188 185 N C 1.576 177.056 175.510 -0.050 0.000 1.122 185 N CA 1.087 54.100 53.050 -0.061 0.000 0.866 185 N CB 0.919 39.394 38.487 -0.021 0.000 0.970 185 N HN 0.795 nan 8.380 nan 0.000 0.462 186 G N 0.314 109.067 108.800 -0.077 0.000 2.176 186 G HA2 -0.228 3.418 3.960 -0.523 0.000 0.232 186 G HA3 -0.228 3.418 3.960 -0.523 0.000 0.232 186 G C -0.108 174.752 174.900 -0.066 0.000 0.986 186 G CA -0.497 44.579 45.100 -0.041 0.000 0.643 186 G HN 0.256 nan 8.290 nan 0.000 0.522 187 N N 0.774 119.428 118.700 -0.076 0.000 2.525 187 N HA 0.611 5.038 4.740 -0.523 0.000 0.271 187 N C 0.495 175.978 175.510 -0.044 0.000 1.194 187 N CA 0.770 53.734 53.050 -0.142 0.000 0.964 187 N CB 1.438 39.889 38.487 -0.060 0.000 1.126 187 N HN 0.821 nan 8.380 nan 0.000 0.452 188 I N -3.176 117.297 120.570 -0.162 0.000 2.865 188 I HA 0.873 4.729 4.170 -0.523 0.000 0.302 188 I C -0.094 175.999 176.117 -0.041 0.000 1.140 188 I CA -0.981 60.342 61.300 0.038 0.000 1.021 188 I CB 2.420 40.446 38.000 0.044 0.000 1.233 188 I HN 0.443 nan 8.210 nan 0.000 0.427 189 G N 2.439 111.390 108.800 0.252 0.000 2.677 189 G HA2 0.610 4.256 3.960 -0.523 0.000 0.291 189 G HA3 0.610 4.256 3.960 -0.523 0.000 0.291 189 G C -2.616 172.655 174.900 0.618 0.000 1.435 189 G CA -0.629 44.619 45.100 0.247 0.000 0.826 189 G HN 0.828 nan 8.290 nan 0.000 0.491 190 Y N 0.066 120.674 120.300 0.513 0.000 2.479 190 Y HA 0.656 4.886 4.550 -0.533 0.000 0.338 190 Y C -1.525 174.633 175.900 0.430 0.000 1.055 190 Y CA -1.031 57.312 58.100 0.405 0.000 1.023 190 Y CB 2.225 40.813 38.460 0.213 0.000 1.287 190 Y HN 0.567 nan 8.280 nan 0.000 0.447 191 V N 5.408 125.161 119.914 -0.268 0.000 2.569 191 V HA 0.191 3.997 4.120 -0.523 0.000 0.301 191 V C -1.119 174.570 176.094 -0.675 0.000 1.044 191 V CA -0.844 61.214 62.300 -0.405 0.000 0.874 191 V CB 1.455 33.214 31.823 -0.106 0.000 1.002 191 V HN 0.837 nan 8.190 nan 0.000 0.424 192 H N 3.628 122.220 119.070 -0.797 0.000 3.014 192 H HA 0.440 4.683 4.556 -0.522 0.000 0.266 192 H C 0.736 175.896 175.328 -0.280 0.000 1.455 192 H CA 0.208 55.960 56.048 -0.492 0.000 1.402 192 H CB 0.309 29.787 29.762 -0.473 0.000 1.626 192 H HN 0.851 nan 8.280 nan 0.000 0.520 193 T N 1.495 115.771 114.554 -0.465 0.000 2.766 193 T HA 0.605 4.642 4.350 -0.523 0.000 0.295 193 T C 0.659 175.194 174.700 -0.275 0.000 1.024 193 T CA 0.049 61.896 62.100 -0.421 0.000 1.018 193 T CB 1.176 69.536 68.868 -0.847 0.000 1.002 193 T HN 0.992 nan 8.240 nan 0.000 0.532 194 G N -0.694 107.967 108.800 -0.232 0.000 2.362 194 G HA2 0.504 4.151 3.960 -0.523 0.000 0.656 194 G HA3 0.504 4.151 3.960 -0.523 0.000 0.656 194 G C -0.677 173.992 174.900 -0.385 0.000 1.376 194 G CA -0.474 44.430 45.100 -0.327 0.000 0.971 194 G HN 1.353 nan 8.290 nan 0.000 0.636 195 A N 0.182 122.703 122.820 -0.498 0.000 2.301 195 A HA 0.861 4.867 4.320 -0.523 0.000 0.298 195 A C -0.937 176.210 177.584 -0.729 0.000 1.185 195 A CA -0.276 51.548 52.037 -0.356 0.000 0.830 195 A CB 0.532 19.441 19.000 -0.153 0.000 1.112 195 A HN 1.252 nan 8.150 nan 0.000 0.508 196 Y N 2.112 122.390 120.300 -0.037 0.000 2.477 196 Y HA 0.511 4.743 4.550 -0.530 0.000 0.347 196 Y C -2.296 173.443 175.900 -0.268 0.000 0.981 196 Y CA -2.506 55.528 58.100 -0.110 0.000 1.033 196 Y CB 2.157 40.610 38.460 -0.012 0.000 1.245 196 Y HN 0.495 nan 8.280 nan 0.000 0.455 197 P HA 0.067 nan 4.420 nan 0.000 0.278 197 P C -0.745 176.319 177.300 -0.392 0.000 1.238 197 P CA -0.259 62.397 63.100 -0.740 0.000 0.794 197 P CB 1.103 31.636 31.700 -1.946 0.000 0.955 198 D N 2.562 122.828 120.400 -0.224 0.000 2.456 198 D HA 0.126 4.452 4.640 -0.523 0.000 0.219 198 D C -0.141 176.157 176.300 -0.004 0.000 1.126 198 D CA -0.346 53.613 54.000 -0.068 0.000 0.890 198 D CB 0.072 40.875 40.800 0.006 0.000 1.025 198 D HN 0.146 nan 8.370 nan 0.000 0.511 199 R N 2.319 122.809 120.500 -0.017 0.000 2.560 199 R HA 0.259 4.285 4.340 -0.523 0.000 0.270 199 R C 0.691 177.131 176.300 0.232 0.000 1.074 199 R CA -0.805 55.391 56.100 0.161 0.000 1.140 199 R CB 0.766 31.062 30.300 -0.007 0.000 1.073 199 R HN 0.408 nan 8.270 nan 0.000 0.527 200 Q N 0.673 120.695 119.800 0.370 0.000 2.454 200 Q HA 0.067 4.094 4.340 -0.523 0.000 0.247 200 Q C -0.104 176.045 176.000 0.248 0.000 1.028 200 Q CA 0.306 56.245 55.803 0.226 0.000 0.910 200 Q CB 0.662 29.459 28.738 0.098 0.000 1.276 200 Q HN 0.534 nan 8.270 nan 0.000 0.489 201 S N 0.230 116.004 115.700 0.124 0.000 2.549 201 S HA 0.287 4.444 4.470 -0.523 0.000 0.286 201 S C 1.111 175.872 174.600 0.267 0.000 1.314 201 S CA 0.556 58.842 58.200 0.144 0.000 1.062 201 S CB 0.282 63.522 63.200 0.067 0.000 0.865 201 S HN 0.832 nan 8.310 nan 0.000 0.498 202 G N 1.542 110.515 108.800 0.289 0.000 2.176 202 G HA2 -0.273 3.373 3.960 -0.523 0.000 0.253 202 G HA3 -0.273 3.373 3.960 -0.523 0.000 0.253 202 G C -0.033 175.115 174.900 0.413 0.000 0.979 202 G CA 0.407 45.716 45.100 0.349 0.000 0.641 202 G HN 0.945 nan 8.290 nan 0.000 0.530 203 H N 1.172 120.469 119.070 0.379 0.000 3.015 203 H HA 0.406 4.649 4.556 -0.522 0.000 0.268 203 H C -0.472 174.884 175.328 0.047 0.000 1.113 203 H CA -0.386 55.787 56.048 0.208 0.000 1.479 203 H CB 0.458 30.439 29.762 0.365 0.000 1.493 203 H HN 0.120 nan 8.280 nan 0.000 0.486 204 D N 7.584 128.121 120.400 0.227 0.000 2.352 204 D HA 0.030 4.357 4.640 -0.523 0.000 0.245 204 D C -1.610 174.804 176.300 0.189 0.000 1.224 204 D CA -2.226 51.846 54.000 0.121 0.000 0.879 204 D CB 1.497 42.304 40.800 0.012 0.000 1.057 204 D HN 0.481 nan 8.370 nan 0.000 0.491 205 P HA -0.009 nan 4.420 nan 0.000 0.242 205 P C 0.684 178.004 177.300 0.033 0.000 1.197 205 P CA 0.382 63.491 63.100 0.016 0.000 0.765 205 P CB 0.292 31.933 31.700 -0.097 0.000 0.936 206 R N -0.979 119.534 120.500 0.022 0.000 2.300 206 R HA 0.292 4.318 4.340 -0.523 0.000 0.199 206 R C 0.711 177.013 176.300 0.003 0.000 0.920 206 R CA 0.207 56.314 56.100 0.011 0.000 1.046 206 R CB 0.015 30.320 30.300 0.007 0.000 0.984 206 R HN 0.238 nan 8.270 nan 0.000 0.493 207 L N 0.356 121.573 121.223 -0.009 0.000 2.371 207 L HA 0.501 4.527 4.340 -0.523 0.000 0.262 207 L C -2.456 174.356 176.870 -0.097 0.000 1.006 207 L CA -2.701 52.106 54.840 -0.054 0.000 0.818 207 L CB 1.991 44.004 42.059 -0.078 0.000 1.354 207 L HN -0.254 nan 8.230 nan 0.000 0.415 208 P HA 0.187 nan 4.420 nan 0.000 0.271 208 P C -1.208 175.896 177.300 -0.327 0.000 1.233 208 P CA -0.344 62.653 63.100 -0.172 0.000 0.789 208 P CB 0.691 32.365 31.700 -0.043 0.000 0.951 209 V N -2.541 117.079 119.914 -0.489 0.000 2.914 209 V HA 0.660 4.467 4.120 -0.523 0.000 0.314 209 V C -2.770 173.094 176.094 -0.383 0.000 1.084 209 V CA -3.216 58.693 62.300 -0.651 0.000 0.963 209 V CB 1.446 32.698 31.823 -0.951 0.000 1.025 209 V HN 0.292 nan 8.190 nan 0.000 0.432 210 P HA 0.276 nan 4.420 nan 0.000 0.269 210 P C 0.715 178.107 177.300 0.154 0.000 1.209 210 P CA 0.375 63.466 63.100 -0.016 0.000 0.776 210 P CB 0.792 32.536 31.700 0.074 0.000 0.876 211 G N 0.513 109.405 108.800 0.154 0.000 3.337 211 G HA2 -0.020 3.626 3.960 -0.523 0.000 0.246 211 G HA3 -0.020 3.626 3.960 -0.523 0.000 0.246 211 G C 0.881 176.013 174.900 0.388 0.000 1.131 211 G CA 0.030 45.259 45.100 0.215 0.000 0.773 211 G HN 0.528 nan 8.290 nan 0.000 0.544 212 T N -3.047 111.663 114.554 0.261 0.000 3.163 212 T HA 0.362 4.399 4.350 -0.523 0.000 0.260 212 T C 1.814 176.572 174.700 0.097 0.000 1.156 212 T CA 1.214 63.416 62.100 0.171 0.000 1.072 212 T CB 0.227 69.130 68.868 0.058 0.000 0.937 212 T HN 0.931 nan 8.240 nan 0.000 0.528 213 G N 1.426 110.343 108.800 0.195 0.000 2.909 213 G HA2 -0.213 3.434 3.960 -0.523 0.000 0.198 213 G HA3 -0.213 3.434 3.960 -0.523 0.000 0.198 213 G C 1.045 175.979 174.900 0.057 0.000 1.124 213 G CA 0.006 45.126 45.100 0.033 0.000 0.796 213 G HN 0.291 nan 8.290 nan 0.000 0.489 214 K N 0.073 120.473 120.400 0.001 0.000 2.152 214 K HA -0.054 3.953 4.320 -0.523 0.000 0.206 214 K C 1.606 178.020 176.600 -0.310 0.000 1.048 214 K CA 1.450 57.628 56.287 -0.181 0.000 0.933 214 K CB -0.201 32.135 32.500 -0.273 0.000 0.721 214 K HN 0.623 nan 8.250 nan 0.000 0.447 215 W N 1.818 123.194 121.300 0.126 0.000 3.316 215 W HA 0.096 4.442 4.660 -0.523 0.000 0.327 215 W C -0.179 176.553 176.519 0.355 0.000 1.232 215 W CA -0.860 56.577 57.345 0.153 0.000 1.805 215 W CB 0.146 29.595 29.460 -0.017 0.000 1.090 215 W HN -0.144 nan 8.180 nan 0.000 0.654 216 D N 0.044 120.728 120.400 0.473 0.000 2.423 216 D HA -0.081 4.246 4.640 -0.523 0.000 0.238 216 D C 0.400 176.995 176.300 0.492 0.000 1.142 216 D CA 0.287 54.547 54.000 0.434 0.000 0.884 216 D CB 0.516 41.482 40.800 0.277 0.000 1.199 216 D HN -0.199 nan 8.370 nan 0.000 0.438 217 W N 1.691 123.229 121.300 0.396 0.000 2.170 217 W HA 0.041 4.386 4.660 -0.524 0.000 0.342 217 W C 1.542 178.165 176.519 0.174 0.000 1.294 217 W CA -0.495 57.025 57.345 0.291 0.000 1.246 217 W CB -0.060 29.553 29.460 0.254 0.000 1.156 217 W HN 0.418 nan 8.180 nan 0.000 0.572 218 K N 1.473 122.083 120.400 0.351 0.000 2.296 218 K HA 0.187 4.194 4.320 -0.523 0.000 0.200 218 K C 1.144 177.850 176.600 0.175 0.000 1.048 218 K CA 1.014 57.423 56.287 0.203 0.000 0.966 218 K CB 0.228 32.808 32.500 0.134 0.000 0.754 218 K HN 0.630 nan 8.250 nan 0.000 0.466 219 G N 0.261 109.183 108.800 0.203 0.000 2.373 219 G HA2 0.123 3.769 3.960 -0.523 0.000 0.250 219 G HA3 0.123 3.769 3.960 -0.523 0.000 0.250 219 G C -1.829 173.124 174.900 0.088 0.000 1.304 219 G CA -1.038 44.153 45.100 0.151 0.000 0.948 219 G HN -0.023 nan 8.290 nan 0.000 0.474 220 L N 0.672 121.921 121.223 0.044 0.000 2.331 220 L HA 0.619 4.646 4.340 -0.523 0.000 0.275 220 L C 0.360 177.235 176.870 0.009 0.000 1.022 220 L CA -0.898 53.937 54.840 -0.009 0.000 0.812 220 L CB 1.673 43.731 42.059 -0.001 0.000 1.257 220 L HN 0.423 nan 8.230 nan 0.000 0.435 221 L N 2.901 124.131 121.223 0.012 0.000 2.452 221 L HA 0.273 4.299 4.340 -0.523 0.000 0.267 221 L C -1.840 175.064 176.870 0.057 0.000 1.188 221 L CA -1.546 53.317 54.840 0.038 0.000 0.821 221 L CB 0.230 42.323 42.059 0.057 0.000 1.102 221 L HN 0.392 nan 8.230 nan 0.000 0.470 222 P HA 0.016 nan 4.420 nan 0.000 0.276 222 P C 0.407 177.764 177.300 0.095 0.000 1.252 222 P CA -0.446 62.695 63.100 0.068 0.000 0.802 222 P CB 0.607 32.335 31.700 0.047 0.000 1.035 223 F N 1.158 121.081 119.950 -0.045 0.000 2.250 223 F HA -0.169 4.041 4.527 -0.527 0.000 0.301 223 F C 2.182 177.950 175.800 -0.053 0.000 1.077 223 F CA 1.743 59.701 58.000 -0.070 0.000 1.348 223 F CB -0.362 38.565 39.000 -0.120 0.000 1.040 223 F HN 0.471 nan 8.300 nan 0.000 0.509 224 E N -0.432 119.720 120.200 -0.080 0.000 2.209 224 E HA -0.237 3.799 4.350 -0.523 0.000 0.196 224 E C 2.037 178.530 176.600 -0.178 0.000 0.993 224 E CA 1.349 57.662 56.400 -0.144 0.000 0.819 224 E CB -0.075 29.603 29.700 -0.037 0.000 0.745 224 E HN 0.367 nan 8.360 nan 0.000 0.477 225 M N 0.712 120.238 119.600 -0.125 0.000 2.492 225 M HA 0.001 4.167 4.480 -0.523 0.000 0.262 225 M C 0.142 176.363 176.300 -0.132 0.000 1.090 225 M CA 0.385 55.633 55.300 -0.088 0.000 1.110 225 M CB -0.710 31.879 32.600 -0.018 0.000 1.407 225 M HN -0.062 nan 8.290 nan 0.000 0.470 226 N N 2.010 120.563 118.700 -0.244 0.000 2.440 226 N HA 0.087 4.514 4.740 -0.523 0.000 0.265 226 N C -2.483 172.836 175.510 -0.318 0.000 1.239 226 N CA -0.665 52.225 53.050 -0.267 0.000 0.909 226 N CB 0.070 38.323 38.487 -0.390 0.000 1.066 226 N HN -0.018 nan 8.380 nan 0.000 0.474 227 P HA -0.024 nan 4.420 nan 0.000 0.262 227 P C -0.706 176.451 177.300 -0.239 0.000 1.182 227 P CA 0.442 63.387 63.100 -0.259 0.000 0.761 227 P CB 0.351 31.818 31.700 -0.388 0.000 0.795 228 K N 0.730 121.069 120.400 -0.102 0.000 2.568 228 K HA 0.792 4.798 4.320 -0.523 0.000 0.273 228 K C -2.004 174.691 176.600 0.158 0.000 0.951 228 K CA -1.108 55.187 56.287 0.013 0.000 0.854 228 K CB 1.897 34.406 32.500 0.015 0.000 1.424 228 K HN 0.184 nan 8.250 nan 0.000 0.427 229 V N 1.816 121.896 119.914 0.277 0.000 2.969 229 V HA 0.549 4.356 4.120 -0.523 0.000 0.304 229 V C -2.259 173.900 176.094 0.108 0.000 1.192 229 V CA -0.550 61.859 62.300 0.180 0.000 0.962 229 V CB 2.093 33.997 31.823 0.136 0.000 1.045 229 V HN 0.806 nan 8.190 nan 0.000 0.428 230 Y N 5.798 125.960 120.300 -0.230 0.000 2.361 230 Y HA 0.524 4.759 4.550 -0.525 0.000 0.337 230 Y C 0.397 176.116 175.900 -0.303 0.000 0.965 230 Y CA -0.865 56.902 58.100 -0.555 0.000 1.091 230 Y CB 1.416 39.292 38.460 -0.973 0.000 1.182 230 Y HN 0.834 nan 8.280 nan 0.000 0.450 231 N N 5.014 123.347 118.700 -0.611 0.000 2.667 231 N HA -0.145 4.281 4.740 -0.523 0.000 0.263 231 N C -2.772 172.617 175.510 -0.203 0.000 1.038 231 N CA 0.750 53.550 53.050 -0.417 0.000 0.749 231 N CB -0.801 37.386 38.487 -0.499 0.000 0.892 231 N HN 0.491 nan 8.380 nan 0.000 0.546 232 P HA 0.045 nan 4.420 nan 0.000 0.272 232 P C 0.869 178.105 177.300 -0.107 0.000 1.223 232 P CA -0.188 62.845 63.100 -0.112 0.000 0.784 232 P CB 0.843 32.467 31.700 -0.127 0.000 0.923 233 Q N 1.188 120.934 119.800 -0.090 0.000 2.234 233 Q HA -0.120 3.907 4.340 -0.523 0.000 0.206 233 Q C 2.047 178.003 176.000 -0.074 0.000 0.980 233 Q CA 2.071 57.831 55.803 -0.071 0.000 0.869 233 Q CB -0.971 27.733 28.738 -0.057 0.000 0.912 233 Q HN 0.682 nan 8.270 nan 0.000 0.436 234 S N -0.994 114.632 115.700 -0.123 0.000 2.442 234 S HA -0.012 4.144 4.470 -0.523 0.000 0.236 234 S C 1.619 176.198 174.600 -0.035 0.000 1.007 234 S CA 1.101 59.216 58.200 -0.142 0.000 0.965 234 S CB -0.240 62.705 63.200 -0.425 0.000 0.773 234 S HN 0.519 nan 8.310 nan 0.000 0.504 235 G N 0.270 109.045 108.800 -0.041 0.000 2.179 235 G HA2 -0.258 3.389 3.960 -0.523 0.000 0.260 235 G HA3 -0.258 3.389 3.960 -0.523 0.000 0.260 235 G C -0.056 174.927 174.900 0.138 0.000 0.977 235 G CA 0.592 45.716 45.100 0.040 0.000 0.641 235 G HN 1.284 nan 8.290 nan 0.000 0.533 236 Y N -1.818 118.473 120.300 -0.015 0.000 2.638 236 Y HA 0.794 5.028 4.550 -0.526 0.000 0.335 236 Y C -0.870 175.039 175.900 0.014 0.000 1.155 236 Y CA -2.319 55.786 58.100 0.008 0.000 1.046 236 Y CB 1.134 39.600 38.460 0.010 0.000 1.303 236 Y HN 0.156 nan 8.280 nan 0.000 0.460 237 I N 2.533 123.236 120.570 0.223 0.000 2.468 237 I HA 0.744 4.601 4.170 -0.523 0.000 0.284 237 I C -0.832 175.425 176.117 0.234 0.000 1.038 237 I CA -0.937 60.438 61.300 0.125 0.000 1.083 237 I CB 1.728 39.835 38.000 0.179 0.000 1.223 237 I HN 0.894 nan 8.210 nan 0.000 0.443 238 A N 6.149 129.088 122.820 0.198 0.000 2.365 238 A HA 0.799 4.805 4.320 -0.523 0.000 0.318 238 A C -1.049 176.599 177.584 0.107 0.000 1.091 238 A CA -0.574 51.588 52.037 0.208 0.000 0.763 238 A CB 1.820 20.986 19.000 0.276 0.000 1.248 238 A HN 0.710 nan 8.150 nan 0.000 0.442 239 N N 1.022 119.798 118.700 0.125 0.000 2.405 239 N HA 0.302 4.728 4.740 -0.523 0.000 0.274 239 N C -2.075 173.582 175.510 0.245 0.000 1.170 239 N CA -0.191 52.954 53.050 0.158 0.000 0.848 239 N CB 1.894 40.525 38.487 0.240 0.000 1.629 239 N HN 0.702 nan 8.380 nan 0.000 0.481 240 W N 3.552 124.889 121.300 0.061 0.000 0.923 240 W HA 0.325 4.649 4.660 -0.560 0.000 0.297 240 W C -0.508 176.048 176.519 0.062 0.000 0.847 240 W CA -0.623 56.758 57.345 0.060 0.000 1.867 240 W CB -1.296 28.191 29.460 0.045 0.000 1.493 240 W HN 0.825 nan 8.180 nan 0.000 0.494 241 N N 1.267 120.163 118.700 0.328 0.000 2.818 241 N HA -0.248 4.178 4.740 -0.523 0.000 0.250 241 N C 0.096 175.762 175.510 0.261 0.000 1.108 241 N CA 1.131 54.338 53.050 0.260 0.000 0.745 241 N CB -1.140 37.445 38.487 0.164 0.000 1.104 241 N HN 0.408 nan 8.380 nan 0.000 0.557 242 N N -0.571 118.163 118.700 0.058 0.000 2.448 242 N HA 0.243 4.669 4.740 -0.523 0.000 0.274 242 N C -0.109 174.788 175.510 -1.021 0.000 1.239 242 N CA -0.463 52.403 53.050 -0.307 0.000 0.982 242 N CB 0.849 39.227 38.487 -0.183 0.000 1.199 242 N HN 0.037 nan 8.380 nan 0.000 0.576 243 S N -0.319 114.371 115.700 -1.685 0.000 2.552 243 S HA 0.097 4.254 4.470 -0.523 0.000 0.289 243 S C -1.499 172.640 174.600 -0.768 0.000 1.304 243 S CA -1.009 56.158 58.200 -1.721 0.000 1.063 243 S CB 0.140 62.825 63.200 -0.858 0.000 0.848 243 S HN 0.436 nan 8.310 nan 0.000 0.499 244 P HA 0.052 nan 4.420 nan 0.000 0.220 244 P C -0.091 177.086 177.300 -0.204 0.000 1.152 244 P CA 0.720 63.645 63.100 -0.292 0.000 0.812 244 P CB 0.182 31.591 31.700 -0.485 0.000 0.792 245 Q N -1.475 118.190 119.800 -0.225 0.000 2.472 245 Q HA 0.264 4.291 4.340 -0.523 0.000 0.281 245 Q C -1.146 174.839 176.000 -0.024 0.000 0.997 245 Q CA -0.977 54.765 55.803 -0.102 0.000 0.828 245 Q CB 1.561 30.236 28.738 -0.106 0.000 1.443 245 Q HN -0.303 nan 8.270 nan 0.000 0.390 246 K N 1.926 122.318 120.400 -0.014 0.000 2.511 246 K HA -0.065 3.941 4.320 -0.523 0.000 0.280 246 K C -0.699 175.932 176.600 0.051 0.000 1.008 246 K CA 1.362 57.658 56.287 0.016 0.000 1.050 246 K CB 0.230 32.733 32.500 0.006 0.000 0.889 246 K HN 0.650 nan 8.250 nan 0.000 0.484 247 D N 1.175 121.617 120.400 0.071 0.000 3.006 247 D HA -0.263 4.063 4.640 -0.523 0.000 0.205 247 D C -0.926 175.434 176.300 0.098 0.000 1.075 247 D CA 0.997 55.041 54.000 0.072 0.000 1.000 247 D CB -1.664 39.163 40.800 0.045 0.000 1.097 247 D HN 0.589 nan 8.370 nan 0.000 0.426 248 Y N 1.798 122.104 120.300 0.010 0.000 2.359 248 Y HA 0.443 4.678 4.550 -0.526 0.000 0.334 248 Y C -2.043 173.955 175.900 0.163 0.000 1.058 248 Y CA -1.559 56.547 58.100 0.011 0.000 1.244 248 Y CB 0.971 39.374 38.460 -0.094 0.000 1.187 248 Y HN -0.182 nan 8.280 nan 0.000 0.510 249 P HA 0.392 nan 4.420 nan 0.000 0.282 249 P C -1.188 175.991 177.300 -0.201 0.000 1.249 249 P CA -0.464 62.517 63.100 -0.199 0.000 0.806 249 P CB 1.383 32.919 31.700 -0.275 0.000 0.984 250 A N 1.949 124.593 122.820 -0.293 0.000 2.246 250 A HA 0.491 4.497 4.320 -0.523 0.000 0.291 250 A C 0.593 177.996 177.584 -0.300 0.000 1.103 250 A CA -0.384 51.223 52.037 -0.717 0.000 0.844 250 A CB -0.218 17.964 19.000 -1.364 0.000 1.136 250 A HN 0.548 nan 8.150 nan 0.000 0.500 251 S N -1.019 114.567 115.700 -0.191 0.000 2.558 251 S HA -0.004 4.153 4.470 -0.523 0.000 0.287 251 S C 0.837 175.415 174.600 -0.035 0.000 1.321 251 S CA 0.563 58.772 58.200 0.013 0.000 1.048 251 S CB 0.039 63.365 63.200 0.209 0.000 0.844 251 S HN 0.712 nan 8.310 nan 0.000 0.512 252 D N 2.575 122.970 120.400 -0.009 0.000 2.371 252 D HA -0.015 4.312 4.640 -0.523 0.000 0.221 252 D C 0.677 176.941 176.300 -0.060 0.000 0.986 252 D CA -0.081 53.904 54.000 -0.024 0.000 0.899 252 D CB -0.337 40.466 40.800 0.005 0.000 0.902 252 D HN 0.368 nan 8.370 nan 0.000 0.530 253 L N 1.778 122.919 121.223 -0.136 0.000 2.628 253 L HA 0.029 4.055 4.340 -0.523 0.000 0.274 253 L C 0.984 177.628 176.870 -0.378 0.000 1.209 253 L CA -0.143 54.490 54.840 -0.343 0.000 0.930 253 L CB -0.144 41.487 42.059 -0.714 0.000 1.183 253 L HN 0.187 nan 8.230 nan 0.000 0.492 254 F N 3.781 123.490 119.950 -0.401 0.000 2.202 254 F HA -0.088 4.131 4.527 -0.513 0.000 0.301 254 F C 1.785 177.392 175.800 -0.321 0.000 1.082 254 F CA 1.155 58.936 58.000 -0.365 0.000 1.313 254 F CB -0.880 37.700 39.000 -0.699 0.000 1.024 254 F HN 0.530 nan 8.300 nan 0.000 0.495 255 A N -0.567 121.281 122.820 -1.619 0.000 2.235 255 A HA 0.150 4.156 4.320 -0.523 0.000 0.208 255 A C 0.139 177.526 177.584 -0.329 0.000 1.172 255 A CA 0.133 51.523 52.037 -1.079 0.000 0.786 255 A CB -0.910 17.294 19.000 -1.327 0.000 0.804 255 A HN 0.293 nan 8.150 nan 0.000 0.479 256 F N -0.139 119.580 119.950 -0.384 0.000 2.427 256 F HA 0.703 4.917 4.527 -0.522 0.000 0.346 256 F C -0.167 175.467 175.800 -0.276 0.000 1.120 256 F CA -1.754 56.070 58.000 -0.294 0.000 1.033 256 F CB 1.109 39.918 39.000 -0.318 0.000 1.126 256 F HN -0.115 nan 8.300 nan 0.000 0.462 257 L N 2.429 123.628 121.223 -0.040 0.000 2.445 257 L HA 0.439 4.465 4.340 -0.523 0.000 0.262 257 L C -1.561 175.311 176.870 0.003 0.000 0.974 257 L CA -0.717 54.085 54.840 -0.064 0.000 0.822 257 L CB 2.930 45.027 42.059 0.063 0.000 1.339 257 L HN 0.442 nan 8.230 nan 0.000 0.409 258 W N 2.335 123.669 121.300 0.056 0.000 2.336 258 W HA 0.703 5.037 4.660 -0.542 0.000 0.315 258 W C 0.233 176.780 176.519 0.047 0.000 1.016 258 W CA -1.023 56.345 57.345 0.038 0.000 1.318 258 W CB 1.505 30.991 29.460 0.043 0.000 1.247 258 W HN 0.542 nan 8.180 nan 0.000 0.414 259 G N 0.163 109.113 108.800 0.251 0.000 2.975 259 G HA2 0.457 4.103 3.960 -0.523 0.000 0.291 259 G HA3 0.457 4.103 3.960 -0.523 0.000 0.291 259 G C 0.750 175.734 174.900 0.140 0.000 1.334 259 G CA -0.114 45.095 45.100 0.182 0.000 0.843 259 G HN 0.410 nan 8.290 nan 0.000 0.548 260 G N -0.184 108.722 108.800 0.175 0.000 2.469 260 G HA2 0.223 3.869 3.960 -0.523 0.000 0.220 260 G HA3 0.223 3.869 3.960 -0.523 0.000 0.220 260 G C 0.941 175.837 174.900 -0.006 0.000 1.136 260 G CA 1.735 46.950 45.100 0.192 0.000 0.759 260 G HN 1.327 nan 8.290 nan 0.000 0.562 261 A N 0.230 122.967 122.820 -0.137 0.000 2.260 261 A HA 0.562 4.568 4.320 -0.523 0.000 0.312 261 A C -0.793 176.686 177.584 -0.175 0.000 1.321 261 A CA -0.425 51.354 52.037 -0.429 0.000 0.928 261 A CB 0.536 19.195 19.000 -0.568 0.000 1.158 261 A HN 0.187 nan 8.150 nan 0.000 0.542 262 D N 1.956 122.254 120.400 -0.169 0.000 2.947 262 D HA 0.165 4.491 4.640 -0.523 0.000 0.224 262 D C 1.059 177.282 176.300 -0.128 0.000 1.230 262 D CA -0.469 53.473 54.000 -0.097 0.000 0.871 262 D CB 1.411 42.192 40.800 -0.030 0.000 1.671 262 D HN 0.615 nan 8.370 nan 0.000 0.507 263 R N 1.875 122.266 120.500 -0.183 0.000 2.193 263 R HA -0.049 3.977 4.340 -0.523 0.000 0.229 263 R C 1.576 177.896 176.300 0.033 0.000 1.110 263 R CA 0.693 56.652 56.100 -0.234 0.000 0.988 263 R CB -0.400 29.494 30.300 -0.677 0.000 0.871 263 R HN 0.206 nan 8.270 nan 0.000 0.458 264 V N 1.831 121.811 119.914 0.109 0.000 2.720 264 V HA -0.197 3.610 4.120 -0.523 0.000 0.256 264 V C 1.515 177.671 176.094 0.103 0.000 1.082 264 V CA 2.325 64.760 62.300 0.225 0.000 1.101 264 V CB -0.424 31.491 31.823 0.154 0.000 0.693 264 V HN 0.506 nan 8.190 nan 0.000 0.479 265 T N -0.026 114.543 114.554 0.024 0.000 2.833 265 T HA -0.143 3.893 4.350 -0.523 0.000 0.269 265 T C 1.730 176.407 174.700 -0.038 0.000 1.054 265 T CA 1.471 63.559 62.100 -0.020 0.000 1.135 265 T CB -0.231 68.601 68.868 -0.059 0.000 0.869 265 T HN 0.556 nan 8.240 nan 0.000 0.466 266 E N 0.907 121.101 120.200 -0.010 0.000 2.110 266 E HA -0.028 4.008 4.350 -0.523 0.000 0.193 266 E C 2.182 178.710 176.600 -0.120 0.000 0.988 266 E CA 0.765 57.140 56.400 -0.042 0.000 0.804 266 E CB -0.314 29.410 29.700 0.040 0.000 0.745 266 E HN 0.545 nan 8.360 nan 0.000 0.458 267 I N 1.362 121.867 120.570 -0.108 0.000 2.233 267 I HA -0.219 3.637 4.170 -0.523 0.000 0.243 267 I C 1.970 177.912 176.117 -0.292 0.000 1.093 267 I CA 0.931 62.046 61.300 -0.307 0.000 1.380 267 I CB -0.232 37.614 38.000 -0.256 0.000 1.067 267 I HN -0.065 nan 8.210 nan 0.000 0.413 268 D N 1.057 121.373 120.400 -0.140 0.000 2.116 268 D HA -0.185 4.141 4.640 -0.523 0.000 0.193 268 D C 2.307 178.511 176.300 -0.160 0.000 0.998 268 D CA 1.313 55.253 54.000 -0.101 0.000 0.836 268 D CB -0.272 40.540 40.800 0.019 0.000 0.951 268 D HN 0.285 nan 8.370 nan 0.000 0.449 269 R N 0.128 120.542 120.500 -0.143 0.000 2.103 269 R HA -0.104 3.923 4.340 -0.523 0.000 0.242 269 R C 2.581 178.764 176.300 -0.197 0.000 1.142 269 R CA 0.800 56.813 56.100 -0.146 0.000 0.960 269 R CB -0.351 29.868 30.300 -0.135 0.000 0.858 269 R HN 0.250 nan 8.270 nan 0.000 0.439 270 L N 0.293 121.358 121.223 -0.264 0.000 2.156 270 L HA -0.106 3.921 4.340 -0.523 0.000 0.208 270 L C 2.219 178.884 176.870 -0.341 0.000 1.095 270 L CA 0.793 55.449 54.840 -0.307 0.000 0.770 270 L CB -0.216 41.612 42.059 -0.386 0.000 0.914 270 L HN 0.191 nan 8.230 nan 0.000 0.439 271 L N -0.745 120.222 121.223 -0.427 0.000 2.179 271 L HA -0.094 3.932 4.340 -0.523 0.000 0.208 271 L C 2.119 178.764 176.870 -0.374 0.000 1.096 271 L CA 0.979 55.512 54.840 -0.511 0.000 0.779 271 L CB -0.304 41.213 42.059 -0.903 0.000 0.922 271 L HN 0.260 nan 8.230 nan 0.000 0.443 272 E N -0.347 119.689 120.200 -0.273 0.000 2.435 272 E HA -0.168 3.868 4.350 -0.523 0.000 0.195 272 E C 1.945 178.476 176.600 -0.114 0.000 1.029 272 E CA 0.037 56.357 56.400 -0.134 0.000 0.865 272 E CB 0.136 29.802 29.700 -0.057 0.000 0.833 272 E HN 0.415 nan 8.360 nan 0.000 0.510 273 Q N 1.167 120.881 119.800 -0.143 0.000 2.077 273 Q HA -0.150 3.876 4.340 -0.523 0.000 0.206 273 Q C 0.077 176.019 176.000 -0.097 0.000 0.989 273 Q CA 1.346 57.077 55.803 -0.119 0.000 0.853 273 Q CB 0.264 28.917 28.738 -0.142 0.000 0.907 273 Q HN 0.015 nan 8.270 nan 0.000 0.418 274 K N -1.185 119.152 120.400 -0.105 0.000 2.375 274 K HA 0.241 4.248 4.320 -0.523 0.000 0.249 274 K C -2.175 174.383 176.600 -0.070 0.000 0.942 274 K CA -1.930 54.309 56.287 -0.081 0.000 0.806 274 K CB 1.820 34.271 32.500 -0.082 0.000 1.227 274 K HN -0.215 nan 8.250 nan 0.000 0.430 275 P HA -0.128 nan 4.420 nan 0.000 0.216 275 P C -0.526 176.755 177.300 -0.032 0.000 1.150 275 P CA 1.307 64.387 63.100 -0.033 0.000 0.843 275 P CB 0.351 32.037 31.700 -0.024 0.000 0.787 276 R N -1.682 118.795 120.500 -0.038 0.000 2.808 276 R HA 0.623 4.650 4.340 -0.523 0.000 0.272 276 R C -1.229 175.044 176.300 -0.046 0.000 0.995 276 R CA -0.956 55.124 56.100 -0.032 0.000 0.917 276 R CB 1.538 31.827 30.300 -0.018 0.000 1.217 276 R HN -0.164 nan 8.270 nan 0.000 0.471 277 L N 0.517 121.717 121.223 -0.039 0.000 2.381 277 L HA 0.475 4.502 4.340 -0.523 0.000 0.268 277 L C 0.435 177.295 176.870 -0.017 0.000 0.997 277 L CA -0.603 54.212 54.840 -0.043 0.000 0.818 277 L CB 2.050 44.074 42.059 -0.059 0.000 1.310 277 L HN 0.763 nan 8.230 nan 0.000 0.416 278 T N -1.349 113.194 114.554 -0.019 0.000 2.824 278 T HA 0.563 4.600 4.350 -0.523 0.000 0.277 278 T C 1.253 175.953 174.700 0.001 0.000 0.975 278 T CA -0.085 62.009 62.100 -0.010 0.000 0.966 278 T CB 1.307 70.161 68.868 -0.022 0.000 1.054 278 T HN 0.611 nan 8.240 nan 0.000 0.533 279 A N 0.564 123.384 122.820 -0.000 0.000 1.908 279 A HA -0.090 3.916 4.320 -0.523 0.000 0.218 279 A C 2.009 179.581 177.584 -0.021 0.000 1.181 279 A CA 1.709 53.745 52.037 -0.001 0.000 0.627 279 A CB -1.075 17.911 19.000 -0.023 0.000 0.818 279 A HN 0.890 nan 8.150 nan 0.000 0.445 280 D N -0.437 119.926 120.400 -0.062 0.000 2.144 280 D HA -0.140 4.186 4.640 -0.523 0.000 0.199 280 D C 2.196 178.500 176.300 0.007 0.000 0.984 280 D CA 1.425 55.388 54.000 -0.061 0.000 0.834 280 D CB -0.377 40.368 40.800 -0.091 0.000 0.955 280 D HN 0.645 nan 8.370 nan 0.000 0.465 281 Q N 0.282 120.075 119.800 -0.013 0.000 2.079 281 Q HA -0.023 4.004 4.340 -0.523 0.000 0.200 281 Q C 2.232 178.227 176.000 -0.009 0.000 0.974 281 Q CA 1.241 57.023 55.803 -0.034 0.000 0.840 281 Q CB -0.071 28.631 28.738 -0.060 0.000 0.898 281 Q HN 0.202 nan 8.270 nan 0.000 0.430 282 A N 1.002 123.857 122.820 0.059 0.000 1.902 282 A HA -0.199 3.807 4.320 -0.523 0.000 0.217 282 A C 1.757 179.524 177.584 0.305 0.000 1.181 282 A CA 1.024 53.171 52.037 0.184 0.000 0.623 282 A CB -1.101 18.030 19.000 0.219 0.000 0.818 282 A HN 0.684 nan 8.150 nan 0.000 0.443 283 W N 1.128 122.436 121.300 0.012 0.000 2.363 283 W HA -0.160 4.190 4.660 -0.517 0.000 0.296 283 W C 0.776 177.269 176.519 -0.042 0.000 1.212 283 W CA 1.882 59.211 57.345 -0.026 0.000 1.260 283 W CB -0.214 29.152 29.460 -0.156 0.000 1.131 283 W HN 0.400 nan 8.180 nan 0.000 0.530 284 D N 0.335 120.759 120.400 0.041 0.000 2.263 284 D HA -0.151 4.175 4.640 -0.523 0.000 0.208 284 D C 2.203 178.349 176.300 -0.258 0.000 0.971 284 D CA 1.060 54.980 54.000 -0.133 0.000 0.867 284 D CB -0.448 40.287 40.800 -0.108 0.000 0.929 284 D HN 0.042 nan 8.370 nan 0.000 0.492 285 V N 0.930 120.701 119.914 -0.238 0.000 2.594 285 V HA -0.212 3.595 4.120 -0.523 0.000 0.253 285 V C 2.369 178.240 176.094 -0.372 0.000 1.069 285 V CA 0.889 62.925 62.300 -0.439 0.000 1.082 285 V CB -0.310 30.991 31.823 -0.870 0.000 0.680 285 V HN 0.226 nan 8.190 nan 0.000 0.469 286 I N -0.218 120.227 120.570 -0.209 0.000 2.113 286 I HA -0.257 3.600 4.170 -0.523 0.000 0.238 286 I C 2.740 178.651 176.117 -0.343 0.000 1.070 286 I CA 1.918 63.084 61.300 -0.224 0.000 1.332 286 I CB -0.509 37.213 38.000 -0.463 0.000 1.044 286 I HN 0.205 nan 8.210 nan 0.000 0.402 287 R N 0.694 120.815 120.500 -0.632 0.000 2.094 287 R HA -0.237 3.790 4.340 -0.523 0.000 0.239 287 R C 2.426 178.431 176.300 -0.492 0.000 1.137 287 R CA 1.769 57.270 56.100 -0.997 0.000 0.943 287 R CB -0.134 29.469 30.300 -1.162 0.000 0.850 287 R HN 0.353 nan 8.270 nan 0.000 0.433 288 Q N -0.187 119.385 119.800 -0.380 0.000 2.020 288 Q HA -0.128 3.898 4.340 -0.523 0.000 0.202 288 Q C 2.262 178.140 176.000 -0.203 0.000 0.982 288 Q CA 2.377 58.017 55.803 -0.272 0.000 0.838 288 Q CB -0.808 27.768 28.738 -0.270 0.000 0.899 288 Q HN 0.608 nan 8.270 nan 0.000 0.423 289 T N -0.704 113.718 114.554 -0.220 0.000 2.833 289 T HA -0.127 3.910 4.350 -0.523 0.000 0.269 289 T C 2.074 176.796 174.700 0.036 0.000 1.054 289 T CA 1.667 63.706 62.100 -0.101 0.000 1.135 289 T CB -0.448 68.275 68.868 -0.242 0.000 0.869 289 T HN 0.334 nan 8.240 nan 0.000 0.466 290 S N 1.571 117.261 115.700 -0.017 0.000 2.447 290 S HA -0.021 4.136 4.470 -0.523 0.000 0.233 290 S C 1.991 176.637 174.600 0.076 0.000 1.006 290 S CA 0.333 58.572 58.200 0.065 0.000 0.957 290 S CB -0.425 62.828 63.200 0.089 0.000 0.773 290 S HN 0.615 nan 8.310 nan 0.000 0.507 291 R N -0.020 120.492 120.500 0.020 0.000 2.397 291 R HA 0.314 4.341 4.340 -0.523 0.000 0.241 291 R C 0.068 176.340 176.300 -0.046 0.000 0.914 291 R CA -0.126 55.980 56.100 0.010 0.000 1.071 291 R CB 0.189 30.475 30.300 -0.024 0.000 1.116 291 R HN 0.356 nan 8.270 nan 0.000 0.524 292 Q N 2.117 121.895 119.800 -0.037 0.000 2.307 292 Q HA 0.006 4.032 4.340 -0.523 0.000 0.259 292 Q C -0.765 175.195 176.000 -0.067 0.000 0.998 292 Q CA -0.025 55.720 55.803 -0.096 0.000 0.923 292 Q CB 0.832 29.521 28.738 -0.081 0.000 1.196 292 Q HN 0.001 nan 8.270 nan 0.000 0.416 293 D N 4.258 124.577 120.400 -0.134 0.000 2.417 293 D HA -0.034 4.292 4.640 -0.523 0.000 0.250 293 D C 0.281 176.546 176.300 -0.058 0.000 1.166 293 D CA 0.163 54.148 54.000 -0.025 0.000 0.881 293 D CB 0.884 41.706 40.800 0.036 0.000 1.164 293 D HN 0.763 nan 8.370 nan 0.000 0.467 294 L N 3.490 124.692 121.223 -0.035 0.000 2.492 294 L HA -0.008 4.019 4.340 -0.523 0.000 0.223 294 L C 1.505 178.354 176.870 -0.034 0.000 1.132 294 L CA 0.363 55.156 54.840 -0.078 0.000 0.850 294 L CB -0.213 41.760 42.059 -0.144 0.000 0.966 294 L HN 0.360 nan 8.230 nan 0.000 0.454 295 N N -0.493 118.265 118.700 0.096 0.000 2.388 295 N HA -0.050 4.376 4.740 -0.523 0.000 0.176 295 N C 1.612 177.262 175.510 0.234 0.000 1.062 295 N CA 0.002 53.199 53.050 0.246 0.000 0.895 295 N CB 0.171 38.957 38.487 0.499 0.000 1.018 295 N HN 0.043 nan 8.380 nan 0.000 0.456 296 L N 1.965 123.276 121.223 0.146 0.000 1.971 296 L HA -0.173 3.853 4.340 -0.523 0.000 0.215 296 L C 2.285 179.166 176.870 0.019 0.000 1.072 296 L CA 1.774 56.668 54.840 0.090 0.000 0.758 296 L CB -0.442 41.580 42.059 -0.062 0.000 0.889 296 L HN 0.094 nan 8.230 nan 0.000 0.433 297 R N -0.751 119.710 120.500 -0.065 0.000 2.117 297 R HA -0.185 3.842 4.340 -0.523 0.000 0.243 297 R C 2.225 178.465 176.300 -0.101 0.000 1.143 297 R CA 2.011 58.057 56.100 -0.091 0.000 0.968 297 R CB -0.371 29.853 30.300 -0.126 0.000 0.863 297 R HN 0.509 nan 8.270 nan 0.000 0.444 298 L N -0.886 120.218 121.223 -0.198 0.000 2.109 298 L HA -0.058 3.968 4.340 -0.523 0.000 0.207 298 L C 1.463 178.130 176.870 -0.337 0.000 1.086 298 L CA 1.019 55.616 54.840 -0.404 0.000 0.760 298 L CB -0.147 41.390 42.059 -0.869 0.000 0.910 298 L HN 0.159 nan 8.230 nan 0.000 0.437 299 F N -1.954 118.106 119.950 0.185 0.000 2.706 299 F HA 0.109 4.321 4.527 -0.524 0.000 0.308 299 F C 1.732 177.532 175.800 0.000 0.000 1.095 299 F CA -0.334 57.766 58.000 0.167 0.000 1.244 299 F CB -0.153 38.994 39.000 0.244 0.000 1.063 299 F HN -0.148 nan 8.300 nan 0.000 0.582 300 L N 2.311 123.608 121.223 0.124 0.000 2.013 300 L HA -0.080 3.947 4.340 -0.523 0.000 0.212 300 L C -0.776 176.110 176.870 0.027 0.000 1.073 300 L CA 2.423 57.284 54.840 0.034 0.000 0.753 300 L CB -1.699 40.375 42.059 0.025 0.000 0.890 300 L HN -0.099 nan 8.230 nan 0.000 0.432 301 P HA -0.124 nan 4.420 nan 0.000 0.215 301 P C 1.669 178.999 177.300 0.049 0.000 1.153 301 P CA 1.990 65.113 63.100 0.039 0.000 0.853 301 P CB -0.181 31.546 31.700 0.044 0.000 0.788 302 T N -0.254 114.361 114.554 0.102 0.000 2.684 302 T HA -0.123 3.914 4.350 -0.523 0.000 0.267 302 T C 1.747 176.486 174.700 0.065 0.000 1.036 302 T CA 1.186 63.362 62.100 0.127 0.000 1.148 302 T CB -0.982 68.062 68.868 0.294 0.000 0.863 302 T HN 0.044 nan 8.240 nan 0.000 0.436 303 L N 0.580 121.796 121.223 -0.012 0.000 2.046 303 L HA -0.151 3.875 4.340 -0.523 0.000 0.208 303 L C 2.896 179.731 176.870 -0.057 0.000 1.077 303 L CA 1.406 56.177 54.840 -0.114 0.000 0.747 303 L CB -0.548 41.348 42.059 -0.272 0.000 0.896 303 L HN 0.309 nan 8.230 nan 0.000 0.432 304 Q N -0.385 119.395 119.800 -0.034 0.000 2.050 304 Q HA -0.193 3.834 4.340 -0.523 0.000 0.202 304 Q C 2.489 178.481 176.000 -0.014 0.000 0.980 304 Q CA 1.629 57.418 55.803 -0.024 0.000 0.840 304 Q CB -0.327 28.402 28.738 -0.015 0.000 0.898 304 Q HN 0.560 nan 8.270 nan 0.000 0.424 305 A N 1.240 124.058 122.820 -0.002 0.000 1.883 305 A HA -0.204 3.802 4.320 -0.523 0.000 0.217 305 A C 2.319 179.903 177.584 -0.001 0.000 1.186 305 A CA 1.834 53.870 52.037 -0.001 0.000 0.624 305 A CB -0.993 18.010 19.000 0.004 0.000 0.822 305 A HN 0.423 nan 8.150 nan 0.000 0.444 306 A N -0.624 122.202 122.820 0.009 0.000 1.972 306 A HA -0.070 3.937 4.320 -0.523 0.000 0.219 306 A C 2.206 179.794 177.584 0.007 0.000 1.169 306 A CA 2.326 54.374 52.037 0.018 0.000 0.635 306 A CB -1.080 17.951 19.000 0.052 0.000 0.810 306 A HN 0.836 nan 8.150 nan 0.000 0.446 307 T N -4.065 110.484 114.554 -0.008 0.000 3.086 307 T HA 0.166 4.203 4.350 -0.523 0.000 0.250 307 T C 1.592 176.279 174.700 -0.023 0.000 1.074 307 T CA 0.794 62.882 62.100 -0.018 0.000 0.988 307 T CB 0.130 68.978 68.868 -0.033 0.000 0.988 307 T HN 0.174 nan 8.240 nan 0.000 0.530 308 S N 1.733 117.423 115.700 -0.018 0.000 2.380 308 S HA -0.064 4.093 4.470 -0.523 0.000 0.229 308 S C 2.116 176.705 174.600 -0.019 0.000 1.043 308 S CA 1.693 59.883 58.200 -0.018 0.000 1.038 308 S CB -0.795 62.396 63.200 -0.014 0.000 0.872 308 S HN 0.798 nan 8.310 nan 0.000 0.456 309 G N 0.111 108.900 108.800 -0.017 0.000 3.088 309 G HA2 0.338 3.984 3.960 -0.523 0.000 0.217 309 G HA3 0.338 3.984 3.960 -0.523 0.000 0.217 309 G C 0.276 175.163 174.900 -0.021 0.000 1.159 309 G CA -0.312 44.778 45.100 -0.018 0.000 0.760 309 G HN 0.311 nan 8.290 nan 0.000 0.550 310 L N 1.646 122.853 121.223 -0.026 0.000 2.453 310 L HA 0.312 4.338 4.340 -0.523 0.000 0.261 310 L C 1.344 178.190 176.870 -0.040 0.000 1.179 310 L CA -0.626 54.194 54.840 -0.034 0.000 0.813 310 L CB 0.668 42.703 42.059 -0.041 0.000 1.110 310 L HN 0.114 nan 8.230 nan 0.000 0.466 311 T N -2.297 112.231 114.554 -0.044 0.000 2.828 311 T HA 0.000 4.037 4.350 -0.523 0.000 0.290 311 T C 0.751 175.415 174.700 -0.060 0.000 1.019 311 T CA -0.550 61.523 62.100 -0.046 0.000 1.031 311 T CB 1.289 70.131 68.868 -0.043 0.000 1.001 311 T HN 0.625 nan 8.240 nan 0.000 0.531 312 Q N 0.660 120.426 119.800 -0.056 0.000 2.135 312 Q HA -0.147 3.879 4.340 -0.523 0.000 0.204 312 Q C 2.150 178.099 176.000 -0.085 0.000 0.981 312 Q CA 2.259 58.024 55.803 -0.065 0.000 0.856 312 Q CB -0.631 28.076 28.738 -0.051 0.000 0.902 312 Q HN 0.927 nan 8.270 nan 0.000 0.425 313 S N -0.284 115.368 115.700 -0.081 0.000 2.603 313 S HA -0.006 4.151 4.470 -0.523 0.000 0.220 313 S C 0.485 175.000 174.600 -0.142 0.000 0.967 313 S CA -0.147 57.993 58.200 -0.099 0.000 0.920 313 S CB 0.078 63.236 63.200 -0.070 0.000 0.773 313 S HN 0.191 nan 8.310 nan 0.000 0.529 314 D N 3.102 123.418 120.400 -0.139 0.000 2.343 314 D HA 0.211 4.537 4.640 -0.523 0.000 0.255 314 D C -1.766 174.374 176.300 -0.267 0.000 1.187 314 D CA -2.007 51.890 54.000 -0.171 0.000 0.875 314 D CB 1.652 42.383 40.800 -0.115 0.000 1.136 314 D HN 0.041 nan 8.370 nan 0.000 0.469 315 P HA -0.061 nan 4.420 nan 0.000 0.220 315 P C 1.187 178.230 177.300 -0.428 0.000 1.148 315 P CA 0.890 63.546 63.100 -0.739 0.000 0.803 315 P CB 0.339 31.133 31.700 -1.510 0.000 0.782 316 R N -0.410 119.946 120.500 -0.240 0.000 2.081 316 R HA -0.083 3.943 4.340 -0.523 0.000 0.235 316 R C 2.554 178.803 176.300 -0.085 0.000 1.131 316 R CA 1.286 57.337 56.100 -0.082 0.000 0.960 316 R CB -0.527 29.758 30.300 -0.026 0.000 0.856 316 R HN 0.132 nan 8.270 nan 0.000 0.436 317 R N 1.255 121.689 120.500 -0.111 0.000 2.066 317 R HA -0.160 3.866 4.340 -0.523 0.000 0.232 317 R C 2.111 178.347 176.300 -0.107 0.000 1.131 317 R CA 1.666 57.710 56.100 -0.094 0.000 0.955 317 R CB -0.038 30.209 30.300 -0.088 0.000 0.851 317 R HN 0.277 nan 8.270 nan 0.000 0.432 318 Q N 0.358 120.065 119.800 -0.154 0.000 2.096 318 Q HA -0.185 3.841 4.340 -0.523 0.000 0.204 318 Q C 2.260 178.187 176.000 -0.121 0.000 0.982 318 Q CA 1.819 57.528 55.803 -0.158 0.000 0.850 318 Q CB -0.149 28.451 28.738 -0.230 0.000 0.901 318 Q HN 0.406 nan 8.270 nan 0.000 0.422 319 L N -0.269 120.903 121.223 -0.085 0.000 2.046 319 L HA -0.184 3.842 4.340 -0.523 0.000 0.208 319 L C 2.309 179.154 176.870 -0.043 0.000 1.077 319 L CA 0.796 55.623 54.840 -0.021 0.000 0.747 319 L CB -0.439 41.671 42.059 0.085 0.000 0.896 319 L HN 0.114 nan 8.230 nan 0.000 0.432 320 V N -0.368 119.511 119.914 -0.059 0.000 2.427 320 V HA -0.227 3.579 4.120 -0.523 0.000 0.248 320 V C 2.322 178.391 176.094 -0.042 0.000 1.051 320 V CA 1.570 63.833 62.300 -0.062 0.000 1.048 320 V CB -0.498 31.279 31.823 -0.077 0.000 0.666 320 V HN 0.447 nan 8.190 nan 0.000 0.456 321 E N 0.081 120.249 120.200 -0.053 0.000 2.118 321 E HA -0.204 3.833 4.350 -0.523 0.000 0.195 321 E C 2.287 178.866 176.600 -0.035 0.000 0.992 321 E CA 1.803 58.176 56.400 -0.045 0.000 0.804 321 E CB -0.293 29.371 29.700 -0.060 0.000 0.741 321 E HN 0.580 nan 8.360 nan 0.000 0.458 322 T N 1.603 116.123 114.554 -0.057 0.000 2.746 322 T HA -0.126 3.910 4.350 -0.523 0.000 0.267 322 T C 1.958 176.656 174.700 -0.003 0.000 1.039 322 T CA 0.846 62.904 62.100 -0.069 0.000 1.142 322 T CB -0.153 68.639 68.868 -0.127 0.000 0.866 322 T HN 0.101 nan 8.240 nan 0.000 0.444 323 L N 0.621 121.864 121.223 0.034 0.000 2.056 323 L HA -0.096 3.931 4.340 -0.523 0.000 0.207 323 L C 2.921 179.886 176.870 0.159 0.000 1.078 323 L CA 1.192 56.123 54.840 0.152 0.000 0.749 323 L CB -1.176 40.947 42.059 0.106 0.000 0.901 323 L HN 0.267 nan 8.230 nan 0.000 0.433 324 T N -0.485 114.111 114.554 0.069 0.000 2.759 324 T HA -0.184 3.852 4.350 -0.523 0.000 0.269 324 T C 1.878 176.615 174.700 0.061 0.000 1.042 324 T CA 1.221 63.349 62.100 0.046 0.000 1.140 324 T CB -0.201 68.673 68.868 0.010 0.000 0.864 324 T HN 0.301 nan 8.240 nan 0.000 0.455 325 R N -0.983 119.562 120.500 0.075 0.000 2.323 325 R HA 0.070 4.096 4.340 -0.523 0.000 0.198 325 R C 0.070 176.469 176.300 0.164 0.000 0.988 325 R CA 0.021 56.168 56.100 0.078 0.000 1.041 325 R CB 0.139 30.463 30.300 0.041 0.000 0.926 325 R HN 0.326 nan 8.270 nan 0.000 0.476 326 W N 1.993 123.268 121.300 -0.041 0.000 2.551 326 W HA 0.119 4.465 4.660 -0.523 0.000 0.330 326 W C 0.140 176.633 176.519 -0.044 0.000 1.063 326 W CA -1.670 55.650 57.345 -0.042 0.000 1.222 326 W CB 1.119 30.555 29.460 -0.040 0.000 1.349 326 W HN 0.027 nan 8.180 nan 0.000 0.536 327 D N 1.692 121.907 120.400 -0.308 0.000 2.340 327 D HA 0.141 4.468 4.640 -0.523 0.000 0.220 327 D C 1.584 177.392 176.300 -0.820 0.000 1.039 327 D CA 0.599 54.346 54.000 -0.421 0.000 0.866 327 D CB -0.163 40.486 40.800 -0.252 0.000 0.913 327 D HN 0.775 nan 8.370 nan 0.000 0.523 328 G N 0.142 107.805 108.800 -1.894 0.000 2.179 328 G HA2 -0.236 3.411 3.960 -0.523 0.000 0.260 328 G HA3 -0.236 3.411 3.960 -0.523 0.000 0.260 328 G C 0.005 174.174 174.900 -1.218 0.000 0.977 328 G CA 0.131 43.878 45.100 -2.254 0.000 0.641 328 G HN 0.352 nan 8.290 nan 0.000 0.533 329 I N 1.720 121.862 120.570 -0.713 0.000 2.352 329 I HA 0.224 4.080 4.170 -0.523 0.000 0.290 329 I C 0.078 176.227 176.117 0.053 0.000 1.036 329 I CA -0.779 60.380 61.300 -0.235 0.000 1.336 329 I CB 0.613 38.515 38.000 -0.162 0.000 1.407 329 I HN 0.031 nan 8.210 nan 0.000 0.497 330 N N 7.692 126.370 118.700 -0.035 0.000 2.499 330 N HA 0.492 4.919 4.740 -0.523 0.000 0.281 330 N C -0.645 174.832 175.510 -0.055 0.000 1.098 330 N CA -0.212 52.724 53.050 -0.189 0.000 0.979 330 N CB 1.859 39.793 38.487 -0.923 0.000 1.121 330 N HN 0.425 nan 8.380 nan 0.000 0.466 331 L N 2.142 123.406 121.223 0.068 0.000 2.401 331 L HA 0.468 4.494 4.340 -0.523 0.000 0.266 331 L C -0.130 176.952 176.870 0.353 0.000 0.991 331 L CA -0.793 54.163 54.840 0.194 0.000 0.818 331 L CB 2.142 44.282 42.059 0.134 0.000 1.321 331 L HN 0.213 nan 8.230 nan 0.000 0.413 332 L N 2.548 123.976 121.223 0.343 0.000 2.397 332 L HA 0.233 4.260 4.340 -0.523 0.000 0.271 332 L C 0.490 177.465 176.870 0.175 0.000 1.148 332 L CA -0.308 54.708 54.840 0.292 0.000 0.825 332 L CB 0.380 42.552 42.059 0.188 0.000 1.117 332 L HN 0.608 nan 8.230 nan 0.000 0.456 333 N N 1.147 119.927 118.700 0.133 0.000 2.317 333 N HA -0.021 4.406 4.740 -0.523 0.000 0.245 333 N C 0.462 176.010 175.510 0.063 0.000 1.294 333 N CA -0.359 52.742 53.050 0.085 0.000 0.924 333 N CB 0.581 39.104 38.487 0.059 0.000 1.186 333 N HN 0.508 nan 8.380 nan 0.000 0.495 334 D N 0.078 120.506 120.400 0.048 0.000 2.311 334 D HA -0.160 4.166 4.640 -0.523 0.000 0.212 334 D C 0.842 177.160 176.300 0.030 0.000 0.972 334 D CA 0.963 54.986 54.000 0.038 0.000 0.887 334 D CB -0.197 40.622 40.800 0.031 0.000 0.915 334 D HN 0.600 nan 8.370 nan 0.000 0.497 335 D N -0.508 119.906 120.400 0.024 0.000 2.371 335 D HA 0.004 4.330 4.640 -0.523 0.000 0.221 335 D C 1.643 177.947 176.300 0.007 0.000 0.986 335 D CA 0.910 54.917 54.000 0.012 0.000 0.899 335 D CB -0.587 40.215 40.800 0.004 0.000 0.902 335 D HN 0.165 nan 8.370 nan 0.000 0.530 336 G N 1.151 109.961 108.800 0.017 0.000 2.166 336 G HA2 -0.405 3.241 3.960 -0.523 0.000 0.260 336 G HA3 -0.405 3.241 3.960 -0.523 0.000 0.260 336 G C 0.860 175.749 174.900 -0.018 0.000 0.986 336 G CA 1.011 46.119 45.100 0.014 0.000 0.683 336 G HN 0.679 nan 8.290 nan 0.000 0.527 337 K N -1.269 119.106 120.400 -0.043 0.000 2.567 337 K HA 0.246 4.253 4.320 -0.523 0.000 0.218 337 K C 0.693 177.195 176.600 -0.163 0.000 1.440 337 K CA 0.841 57.071 56.287 -0.095 0.000 0.995 337 K CB 0.485 32.940 32.500 -0.074 0.000 1.186 337 K HN 0.665 nan 8.250 nan 0.000 0.593 338 T N -1.987 112.498 114.554 -0.115 0.000 2.932 338 T HA 0.461 4.498 4.350 -0.523 0.000 0.289 338 T C -0.861 173.821 174.700 -0.030 0.000 1.039 338 T CA -0.819 61.204 62.100 -0.129 0.000 1.024 338 T CB 1.238 70.078 68.868 -0.046 0.000 1.090 338 T HN 0.137 nan 8.240 nan 0.000 0.496 339 W N 1.258 122.562 121.300 0.007 0.000 2.313 339 W HA 0.365 4.709 4.660 -0.526 0.000 0.328 339 W C 1.621 178.125 176.519 -0.025 0.000 1.197 339 W CA -1.089 56.263 57.345 0.013 0.000 1.235 339 W CB 0.798 30.274 29.460 0.026 0.000 1.158 339 W HN 0.924 nan 8.180 nan 0.000 0.578 340 Q N 0.555 120.500 119.800 0.242 0.000 2.124 340 Q HA -0.169 3.858 4.340 -0.523 0.000 0.202 340 Q C 0.394 176.386 176.000 -0.013 0.000 0.977 340 Q CA 1.191 57.049 55.803 0.092 0.000 0.850 340 Q CB 0.216 29.005 28.738 0.085 0.000 0.901 340 Q HN 0.301 nan 8.270 nan 0.000 0.429 341 Q N -0.419 119.318 119.800 -0.103 0.000 2.348 341 Q HA 0.228 4.254 4.340 -0.523 0.000 0.271 341 Q C -2.073 173.735 176.000 -0.320 0.000 1.067 341 Q CA -1.913 53.680 55.803 -0.349 0.000 0.839 341 Q CB 1.397 29.645 28.738 -0.816 0.000 1.354 341 Q HN 0.000 nan 8.270 nan 0.000 0.447 342 P HA 0.070 nan 4.420 nan 0.000 0.262 342 P C 0.850 178.031 177.300 -0.198 0.000 1.304 342 P CA 0.230 63.254 63.100 -0.127 0.000 0.859 342 P CB 0.244 31.979 31.700 0.058 0.000 1.310 343 G N 1.240 109.686 108.800 -0.590 0.000 2.476 343 G HA2 -0.278 3.369 3.960 -0.523 0.000 0.218 343 G HA3 -0.278 3.369 3.960 -0.523 0.000 0.218 343 G C 1.658 176.518 174.900 -0.066 0.000 1.164 343 G CA 0.917 45.717 45.100 -0.501 0.000 0.768 343 G HN 0.246 nan 8.290 nan 0.000 0.560 344 S N 0.952 116.642 115.700 -0.018 0.000 2.383 344 S HA -0.032 4.124 4.470 -0.523 0.000 0.229 344 S C 2.769 177.317 174.600 -0.087 0.000 1.030 344 S CA 1.281 59.559 58.200 0.130 0.000 1.002 344 S CB -0.375 62.963 63.200 0.230 0.000 0.829 344 S HN 0.629 nan 8.310 nan 0.000 0.467 345 A N 1.439 124.267 122.820 0.013 0.000 1.873 345 A HA -0.023 3.983 4.320 -0.523 0.000 0.215 345 A C 2.063 179.664 177.584 0.028 0.000 1.186 345 A CA 1.121 53.163 52.037 0.007 0.000 0.616 345 A CB -0.703 18.348 19.000 0.086 0.000 0.823 345 A HN 0.466 nan 8.150 nan 0.000 0.442 346 I N -0.333 120.294 120.570 0.094 0.000 2.127 346 I HA -0.303 3.553 4.170 -0.523 0.000 0.241 346 I C 2.442 178.661 176.117 0.169 0.000 1.075 346 I CA 1.437 62.833 61.300 0.160 0.000 1.334 346 I CB -0.384 37.702 38.000 0.144 0.000 1.040 346 I HN 0.300 nan 8.210 nan 0.000 0.405 347 L N 0.311 121.617 121.223 0.138 0.000 2.046 347 L HA -0.258 3.769 4.340 -0.523 0.000 0.208 347 L C 2.389 179.370 176.870 0.186 0.000 1.077 347 L CA 1.737 56.721 54.840 0.241 0.000 0.747 347 L CB -0.818 41.434 42.059 0.322 0.000 0.896 347 L HN 0.424 nan 8.230 nan 0.000 0.432 348 N N 0.000 118.583 118.700 -0.195 0.000 2.058 348 N HA -0.175 4.252 4.740 -0.523 0.000 0.191 348 N C 1.847 177.372 175.510 0.024 0.000 1.037 348 N CA 1.556 54.444 53.050 -0.270 0.000 0.848 348 N CB 0.132 38.251 38.487 -0.614 0.000 1.021 348 N HN 0.052 nan 8.380 nan 0.000 0.422 349 V N 0.048 119.993 119.914 0.052 0.000 2.295 349 V HA -0.197 3.609 4.120 -0.523 0.000 0.246 349 V C 1.954 178.137 176.094 0.147 0.000 1.049 349 V CA 1.841 64.196 62.300 0.092 0.000 1.024 349 V CB -0.918 30.964 31.823 0.099 0.000 0.648 349 V HN 0.532 nan 8.190 nan 0.000 0.447 350 W N 0.425 121.746 121.300 0.036 0.000 2.355 350 W HA -0.202 4.143 4.660 -0.524 0.000 0.309 350 W C 2.165 178.686 176.519 0.003 0.000 1.206 350 W CA 1.809 59.176 57.345 0.037 0.000 1.284 350 W CB -0.382 29.108 29.460 0.050 0.000 1.145 350 W HN 0.205 nan 8.180 nan 0.000 0.502 351 L N 0.665 121.942 121.223 0.090 0.000 2.056 351 L HA -0.138 3.888 4.340 -0.523 0.000 0.207 351 L C 2.337 179.103 176.870 -0.175 0.000 1.078 351 L CA 2.708 57.439 54.840 -0.182 0.000 0.749 351 L CB -1.376 40.760 42.059 0.128 0.000 0.901 351 L HN -0.048 nan 8.230 nan 0.000 0.433 352 T N -1.412 113.121 114.554 -0.036 0.000 2.684 352 T HA -0.216 3.820 4.350 -0.523 0.000 0.267 352 T C 2.084 176.731 174.700 -0.089 0.000 1.036 352 T CA 1.711 63.798 62.100 -0.022 0.000 1.148 352 T CB -0.428 68.456 68.868 0.026 0.000 0.863 352 T HN 0.477 nan 8.240 nan 0.000 0.436 353 S N 0.512 116.136 115.700 -0.126 0.000 2.356 353 S HA -0.118 4.038 4.470 -0.523 0.000 0.223 353 S C 2.186 176.649 174.600 -0.229 0.000 1.032 353 S CA 1.064 59.179 58.200 -0.142 0.000 1.005 353 S CB -0.374 62.760 63.200 -0.110 0.000 0.867 353 S HN 0.208 nan 8.310 nan 0.000 0.449 354 M N 1.026 120.363 119.600 -0.438 0.000 2.082 354 M HA -0.079 4.088 4.480 -0.523 0.000 0.258 354 M C 2.222 178.347 176.300 -0.293 0.000 1.069 354 M CA 1.448 56.456 55.300 -0.486 0.000 1.102 354 M CB -1.615 30.436 32.600 -0.915 0.000 1.336 354 M HN 0.382 nan 8.290 nan 0.000 0.404 355 L N -0.428 120.657 121.223 -0.230 0.000 2.046 355 L HA -0.231 3.795 4.340 -0.523 0.000 0.208 355 L C 2.564 179.388 176.870 -0.076 0.000 1.077 355 L CA 1.295 56.068 54.840 -0.112 0.000 0.747 355 L CB -0.725 41.317 42.059 -0.028 0.000 0.896 355 L HN 0.336 nan 8.230 nan 0.000 0.432 356 K N 0.553 120.909 120.400 -0.073 0.000 2.097 356 K HA -0.174 3.832 4.320 -0.523 0.000 0.206 356 K C 2.192 178.756 176.600 -0.061 0.000 1.049 356 K CA 1.342 57.601 56.287 -0.046 0.000 0.933 356 K CB 0.061 32.538 32.500 -0.038 0.000 0.717 356 K HN 0.218 nan 8.250 nan 0.000 0.442 357 R N -0.276 120.169 120.500 -0.091 0.000 2.200 357 R HA -0.013 4.013 4.340 -0.523 0.000 0.208 357 R C 1.850 178.075 176.300 -0.124 0.000 1.033 357 R CA 1.443 57.492 56.100 -0.085 0.000 1.000 357 R CB 0.197 30.452 30.300 -0.076 0.000 0.906 357 R HN 0.456 nan 8.270 nan 0.000 0.462 358 T N -3.001 111.447 114.554 -0.177 0.000 3.479 358 T HA 0.080 4.116 4.350 -0.523 0.000 0.197 358 T C 1.832 176.421 174.700 -0.184 0.000 0.912 358 T CA 0.112 62.055 62.100 -0.261 0.000 1.281 358 T CB -0.665 67.931 68.868 -0.453 0.000 1.588 358 T HN -0.159 nan 8.240 nan 0.000 0.389 359 V N 2.330 122.148 119.914 -0.160 0.000 2.282 359 V HA -0.163 3.644 4.120 -0.523 0.000 0.249 359 V C 2.973 179.036 176.094 -0.052 0.000 1.057 359 V CA 1.903 64.131 62.300 -0.120 0.000 1.032 359 V CB -1.186 30.589 31.823 -0.080 0.000 0.645 359 V HN 0.457 nan 8.190 nan 0.000 0.447 360 V N 0.459 120.376 119.914 0.005 0.000 2.332 360 V HA -0.295 3.512 4.120 -0.523 0.000 0.248 360 V C 2.750 178.849 176.094 0.008 0.000 1.055 360 V CA 2.156 64.485 62.300 0.048 0.000 1.038 360 V CB -1.250 30.601 31.823 0.046 0.000 0.651 360 V HN 0.580 nan 8.190 nan 0.000 0.450 361 A N -0.232 122.571 122.820 -0.028 0.000 1.972 361 A HA -0.047 3.960 4.320 -0.523 0.000 0.219 361 A C 2.261 179.824 177.584 -0.035 0.000 1.169 361 A CA 1.898 53.915 52.037 -0.033 0.000 0.635 361 A CB -0.544 18.428 19.000 -0.047 0.000 0.810 361 A HN 0.607 nan 8.150 nan 0.000 0.446 362 A N -1.038 121.750 122.820 -0.053 0.000 2.169 362 A HA 0.439 4.446 4.320 -0.523 0.000 0.212 362 A C 0.606 178.165 177.584 -0.042 0.000 1.153 362 A CA 0.435 52.439 52.037 -0.056 0.000 0.756 362 A CB -0.105 18.843 19.000 -0.086 0.000 0.813 362 A HN 0.269 nan 8.150 nan 0.000 0.471 363 V N 1.758 121.663 119.914 -0.015 0.000 2.435 363 V HA 0.327 4.133 4.120 -0.523 0.000 0.290 363 V C -2.549 173.570 176.094 0.042 0.000 1.030 363 V CA -1.982 60.332 62.300 0.023 0.000 0.881 363 V CB 1.454 33.336 31.823 0.098 0.000 0.983 363 V HN 0.154 nan 8.190 nan 0.000 0.445 364 P HA 0.242 nan 4.420 nan 0.000 0.271 364 P C -0.186 177.148 177.300 0.056 0.000 1.218 364 P CA -0.228 62.903 63.100 0.051 0.000 0.780 364 P CB 0.415 32.159 31.700 0.073 0.000 0.901 365 M N 4.116 123.697 119.600 -0.032 0.000 2.245 365 M HA 0.118 4.285 4.480 -0.523 0.000 0.330 365 M C -1.351 174.786 176.300 -0.272 0.000 1.098 365 M CA -0.928 54.286 55.300 -0.144 0.000 1.172 365 M CB 0.117 32.644 32.600 -0.122 0.000 1.467 365 M HN 0.274 nan 8.290 nan 0.000 0.454 366 P HA 0.143 nan 4.420 nan 0.000 0.261 366 P C 0.242 177.098 177.300 -0.740 0.000 1.352 366 P CA 0.394 63.150 63.100 -0.574 0.000 0.891 366 P CB -0.059 31.277 31.700 -0.607 0.000 1.383 367 F N 1.473 121.132 119.950 -0.484 0.000 2.604 367 F HA -0.089 4.123 4.527 -0.524 0.000 0.298 367 F C 1.932 177.506 175.800 -0.377 0.000 1.131 367 F CA 0.810 58.335 58.000 -0.792 0.000 1.457 367 F CB -0.943 37.604 39.000 -0.755 0.000 1.095 367 F HN 0.024 nan 8.300 nan 0.000 0.574 368 D N 1.475 121.848 120.400 -0.045 0.000 2.218 368 D HA -0.223 4.104 4.640 -0.523 0.000 0.204 368 D C 1.545 177.903 176.300 0.096 0.000 0.976 368 D CA 1.129 55.184 54.000 0.092 0.000 0.853 368 D CB -0.715 40.107 40.800 0.037 0.000 0.939 368 D HN 0.411 nan 8.370 nan 0.000 0.481 369 K N -0.662 119.732 120.400 -0.011 0.000 2.525 369 K HA -0.058 3.949 4.320 -0.523 0.000 0.192 369 K C 1.180 177.876 176.600 0.161 0.000 1.029 369 K CA -0.068 56.253 56.287 0.056 0.000 1.029 369 K CB -0.352 32.158 32.500 0.016 0.000 0.814 369 K HN 0.081 nan 8.250 nan 0.000 0.503 370 W N 0.661 121.847 121.300 -0.191 0.000 2.584 370 W HA 0.039 4.391 4.660 -0.513 0.000 0.264 370 W C 0.486 176.744 176.519 -0.435 0.000 1.264 370 W CA 0.397 57.517 57.345 -0.375 0.000 1.306 370 W CB -0.226 28.670 29.460 -0.941 0.000 1.110 370 W HN 0.112 nan 8.180 nan 0.000 0.606 371 Y N -0.594 119.909 120.300 0.339 0.000 2.612 371 Y HA 0.083 4.320 4.550 -0.522 0.000 0.250 371 Y C 2.147 178.130 175.900 0.138 0.000 1.175 371 Y CA 0.335 58.571 58.100 0.227 0.000 1.205 371 Y CB -0.610 37.963 38.460 0.188 0.000 1.201 371 Y HN -0.141 nan 8.280 nan 0.000 0.532 372 S N -0.541 115.285 115.700 0.210 0.000 2.478 372 S HA 0.293 4.450 4.470 -0.523 0.000 0.222 372 S C 1.252 175.923 174.600 0.117 0.000 1.008 372 S CA 0.055 58.336 58.200 0.135 0.000 0.928 372 S CB -0.213 63.045 63.200 0.096 0.000 0.781 372 S HN 0.196 nan 8.310 nan 0.000 0.518 373 A N 2.306 125.203 122.820 0.129 0.000 2.511 373 A HA 0.485 4.492 4.320 -0.523 0.000 0.242 373 A C 1.362 179.027 177.584 0.134 0.000 1.069 373 A CA 0.157 52.266 52.037 0.120 0.000 0.763 373 A CB 0.158 19.222 19.000 0.107 0.000 1.001 373 A HN 0.615 nan 8.150 nan 0.000 0.498 374 S N 1.914 117.710 115.700 0.160 0.000 2.501 374 S HA 0.359 4.516 4.470 -0.523 0.000 0.220 374 S C 1.370 176.082 174.600 0.187 0.000 0.997 374 S CA 0.855 59.188 58.200 0.222 0.000 0.919 374 S CB -0.007 63.394 63.200 0.334 0.000 0.778 374 S HN 2.527 nan 8.310 nan 0.000 0.523 375 G N 0.108 108.969 108.800 0.103 0.000 2.176 375 G HA2 -0.252 3.394 3.960 -0.523 0.000 0.232 375 G HA3 -0.252 3.394 3.960 -0.523 0.000 0.232 375 G C 0.230 175.039 174.900 -0.152 0.000 0.986 375 G CA 0.242 45.312 45.100 -0.050 0.000 0.643 375 G HN 0.574 nan 8.290 nan 0.000 0.522 376 Y N 0.991 121.347 120.300 0.092 0.000 2.507 376 Y HA 0.461 4.701 4.550 -0.517 0.000 0.254 376 Y C 1.210 177.146 175.900 0.061 0.000 1.171 376 Y CA -0.221 57.935 58.100 0.093 0.000 1.238 376 Y CB 0.438 38.975 38.460 0.129 0.000 1.148 376 Y HN 0.230 nan 8.280 nan 0.000 0.525 377 E N 0.583 120.878 120.200 0.159 0.000 2.442 377 E HA 0.165 4.201 4.350 -0.523 0.000 0.262 377 E C 0.601 177.241 176.600 0.066 0.000 1.004 377 E CA 0.571 57.034 56.400 0.106 0.000 0.928 377 E CB 0.660 30.410 29.700 0.084 0.000 0.937 377 E HN 0.123 nan 8.360 nan 0.000 0.446 378 T N 0.168 114.753 114.554 0.051 0.000 2.606 378 T HA 0.681 4.718 4.350 -0.523 0.000 0.289 378 T C -1.074 173.642 174.700 0.027 0.000 1.113 378 T CA 0.085 62.197 62.100 0.019 0.000 1.106 378 T CB 0.834 69.699 68.868 -0.004 0.000 1.611 378 T HN 0.595 nan 8.240 nan 0.000 0.471 379 T N -0.978 113.587 114.554 0.018 0.000 2.778 379 T HA 0.452 4.489 4.350 -0.523 0.000 0.293 379 T C 0.345 175.056 174.700 0.019 0.000 1.144 379 T CA -0.611 61.506 62.100 0.029 0.000 1.010 379 T CB 1.466 70.362 68.868 0.047 0.000 1.325 379 T HN 0.412 nan 8.240 nan 0.000 0.515 380 Q N -0.282 119.533 119.800 0.025 0.000 2.436 380 Q HA -0.041 3.986 4.340 -0.523 0.000 0.209 380 Q C 0.377 176.398 176.000 0.035 0.000 0.965 380 Q CA 1.120 56.932 55.803 0.015 0.000 0.910 380 Q CB -0.203 28.540 28.738 0.009 0.000 0.980 380 Q HN 0.610 nan 8.270 nan 0.000 0.491 381 D N -0.200 120.236 120.400 0.061 0.000 2.340 381 D HA 0.163 4.490 4.640 -0.523 0.000 0.220 381 D C 0.749 177.076 176.300 0.045 0.000 1.039 381 D CA 0.840 54.898 54.000 0.097 0.000 0.866 381 D CB 0.370 41.231 40.800 0.102 0.000 0.913 381 D HN 0.340 nan 8.370 nan 0.000 0.523 382 G N 1.170 109.974 108.800 0.008 0.000 2.728 382 G HA2 -0.193 3.453 3.960 -0.523 0.000 0.294 382 G HA3 -0.193 3.453 3.960 -0.523 0.000 0.294 382 G C -2.709 172.163 174.900 -0.048 0.000 1.342 382 G CA -1.208 43.863 45.100 -0.048 0.000 0.866 382 G HN -0.049 nan 8.290 nan 0.000 0.534 383 P HA 0.172 nan 4.420 nan 0.000 0.266 383 P C 1.295 178.690 177.300 0.158 0.000 1.195 383 P CA 0.960 64.028 63.100 -0.053 0.000 0.768 383 P CB 0.440 31.979 31.700 -0.268 0.000 0.838 384 T N -0.646 114.010 114.554 0.169 0.000 3.088 384 T HA 0.285 4.321 4.350 -0.523 0.000 0.259 384 T C 0.925 175.774 174.700 0.248 0.000 1.122 384 T CA 0.648 62.872 62.100 0.206 0.000 1.095 384 T CB -0.268 68.693 68.868 0.154 0.000 0.930 384 T HN 0.508 nan 8.240 nan 0.000 0.508 385 G N 1.116 110.090 108.800 0.290 0.000 2.896 385 G HA2 0.513 4.160 3.960 -0.523 0.000 0.247 385 G HA3 0.513 4.160 3.960 -0.523 0.000 0.247 385 G C -0.646 174.477 174.900 0.372 0.000 1.187 385 G CA -0.192 45.017 45.100 0.180 0.000 0.837 385 G HN 0.472 nan 8.290 nan 0.000 0.559 386 S N -0.970 114.868 115.700 0.230 0.000 2.624 386 S HA 0.651 4.807 4.470 -0.523 0.000 0.263 386 S C -0.034 174.713 174.600 0.244 0.000 1.287 386 S CA -0.416 57.984 58.200 0.333 0.000 0.990 386 S CB 0.817 64.153 63.200 0.227 0.000 0.950 386 S HN 0.531 nan 8.310 nan 0.000 0.561 387 L N 1.515 122.882 121.223 0.239 0.000 2.322 387 L HA 0.569 4.595 4.340 -0.523 0.000 0.279 387 L C 0.373 177.181 176.870 -0.103 0.000 1.036 387 L CA -0.525 54.356 54.840 0.068 0.000 0.807 387 L CB 1.438 43.553 42.059 0.094 0.000 1.226 387 L HN 0.871 nan 8.230 nan 0.000 0.433 388 N N 0.893 119.506 118.700 -0.144 0.000 2.774 388 N HA 0.536 4.963 4.740 -0.523 0.000 0.264 388 N C -1.240 174.173 175.510 -0.161 0.000 1.415 388 N CA -0.844 52.078 53.050 -0.213 0.000 0.815 388 N CB 2.015 40.406 38.487 -0.159 0.000 1.514 388 N HN 0.377 nan 8.380 nan 0.000 0.523 389 I N 1.758 122.243 120.570 -0.141 0.000 2.471 389 I HA 0.085 3.942 4.170 -0.523 0.000 0.286 389 I C 0.764 176.880 176.117 -0.002 0.000 1.079 389 I CA -0.148 61.117 61.300 -0.058 0.000 1.398 389 I CB 1.019 38.985 38.000 -0.056 0.000 1.403 389 I HN 0.494 nan 8.210 nan 0.000 0.530 390 S N 5.032 120.760 115.700 0.047 0.000 2.589 390 S HA 0.053 4.210 4.470 -0.523 0.000 0.265 390 S C 1.078 175.752 174.600 0.124 0.000 1.342 390 S CA -0.656 57.591 58.200 0.078 0.000 1.005 390 S CB 1.518 64.780 63.200 0.104 0.000 0.909 390 S HN 0.528 nan 8.310 nan 0.000 0.555 391 V N 2.693 122.687 119.914 0.133 0.000 2.407 391 V HA 0.015 3.822 4.120 -0.523 0.000 0.248 391 V C 2.278 178.548 176.094 0.294 0.000 1.055 391 V CA 2.608 65.026 62.300 0.196 0.000 1.049 391 V CB -1.434 30.491 31.823 0.170 0.000 0.662 391 V HN 1.078 nan 8.190 nan 0.000 0.455 392 G N -0.938 108.054 108.800 0.320 0.000 2.402 392 G HA2 -0.181 3.466 3.960 -0.523 0.000 0.216 392 G HA3 -0.181 3.466 3.960 -0.523 0.000 0.216 392 G C 1.755 176.792 174.900 0.228 0.000 1.162 392 G CA 0.933 46.219 45.100 0.310 0.000 0.777 392 G HN 0.722 nan 8.290 nan 0.000 0.539 393 A N 0.838 123.803 122.820 0.240 0.000 1.930 393 A HA 0.028 4.034 4.320 -0.523 0.000 0.217 393 A C 2.293 180.102 177.584 0.375 0.000 1.175 393 A CA 1.854 54.095 52.037 0.340 0.000 0.627 393 A CB -0.312 18.907 19.000 0.365 0.000 0.815 393 A HN 0.371 nan 8.150 nan 0.000 0.443 394 K N -0.506 120.047 120.400 0.254 0.000 2.097 394 K HA -0.054 3.953 4.320 -0.523 0.000 0.206 394 K C 1.744 178.497 176.600 0.256 0.000 1.049 394 K CA 1.507 57.928 56.287 0.224 0.000 0.933 394 K CB -0.334 32.262 32.500 0.159 0.000 0.717 394 K HN 0.540 nan 8.250 nan 0.000 0.442 395 I N 0.725 121.421 120.570 0.210 0.000 2.286 395 I HA -0.237 3.619 4.170 -0.523 0.000 0.245 395 I C 2.258 178.472 176.117 0.160 0.000 1.104 395 I CA 0.507 61.893 61.300 0.143 0.000 1.397 395 I CB -0.130 37.905 38.000 0.057 0.000 1.072 395 I HN 0.088 nan 8.210 nan 0.000 0.417 396 L N 0.164 121.511 121.223 0.207 0.000 2.083 396 L HA -0.264 3.762 4.340 -0.523 0.000 0.209 396 L C 2.459 179.569 176.870 0.399 0.000 1.083 396 L CA 1.887 56.868 54.840 0.234 0.000 0.752 396 L CB -0.938 41.249 42.059 0.214 0.000 0.899 396 L HN 0.239 nan 8.230 nan 0.000 0.433 397 Y N 0.477 120.978 120.300 0.334 0.000 2.181 397 Y HA -0.223 4.015 4.550 -0.519 0.000 0.288 397 Y C 2.405 178.401 175.900 0.160 0.000 1.146 397 Y CA 2.038 60.272 58.100 0.223 0.000 1.164 397 Y CB -0.075 38.407 38.460 0.036 0.000 0.982 397 Y HN 0.298 nan 8.280 nan 0.000 0.515 398 E N 0.203 120.492 120.200 0.149 0.000 2.110 398 E HA -0.199 3.838 4.350 -0.523 0.000 0.193 398 E C 2.402 179.018 176.600 0.027 0.000 0.988 398 E CA 1.142 57.566 56.400 0.039 0.000 0.804 398 E CB -0.706 29.052 29.700 0.097 0.000 0.745 398 E HN 0.579 nan 8.360 nan 0.000 0.458 399 A N 1.310 124.195 122.820 0.107 0.000 1.930 399 A HA -0.121 3.886 4.320 -0.523 0.000 0.217 399 A C 2.497 180.235 177.584 0.256 0.000 1.175 399 A CA 1.677 53.824 52.037 0.183 0.000 0.627 399 A CB -0.632 18.474 19.000 0.177 0.000 0.815 399 A HN 0.215 nan 8.150 nan 0.000 0.443 400 V N -3.195 116.857 119.914 0.231 0.000 3.041 400 V HA -0.102 3.704 4.120 -0.523 0.000 0.260 400 V C 1.765 177.848 176.094 -0.018 0.000 1.105 400 V CA 1.636 64.041 62.300 0.176 0.000 1.125 400 V CB -0.683 31.326 31.823 0.311 0.000 0.730 400 V HN 0.443 nan 8.190 nan 0.000 0.479 401 Q N 1.007 120.718 119.800 -0.148 0.000 2.435 401 Q HA 0.181 4.208 4.340 -0.523 0.000 0.207 401 Q C 1.785 177.738 176.000 -0.077 0.000 0.956 401 Q CA 0.996 56.682 55.803 -0.194 0.000 0.917 401 Q CB -0.072 28.475 28.738 -0.318 0.000 0.997 401 Q HN 0.904 nan 8.270 nan 0.000 0.497 402 G N 1.960 110.746 108.800 -0.025 0.000 2.622 402 G HA2 -0.372 3.275 3.960 -0.523 0.000 0.307 402 G HA3 -0.372 3.275 3.960 -0.523 0.000 0.307 402 G C 0.536 175.433 174.900 -0.004 0.000 1.226 402 G CA 0.468 45.568 45.100 -0.001 0.000 0.997 402 G HN 0.357 nan 8.290 nan 0.000 0.551 403 D N 0.825 121.221 120.400 -0.006 0.000 2.310 403 D HA -0.016 4.310 4.640 -0.523 0.000 0.212 403 D C 2.233 178.530 176.300 -0.005 0.000 0.965 403 D CA 0.899 54.898 54.000 -0.002 0.000 0.879 403 D CB -0.059 40.740 40.800 -0.001 0.000 0.921 403 D HN 0.347 nan 8.370 nan 0.000 0.510 404 K N 0.701 121.091 120.400 -0.016 0.000 2.365 404 K HA -0.012 3.994 4.320 -0.523 0.000 0.199 404 K C 0.838 177.432 176.600 -0.009 0.000 1.045 404 K CA 0.013 56.291 56.287 -0.015 0.000 0.962 404 K CB 0.073 32.556 32.500 -0.029 0.000 0.759 404 K HN -0.041 nan 8.250 nan 0.000 0.469 405 S N 1.513 117.206 115.700 -0.012 0.000 2.523 405 S HA 0.187 4.343 4.470 -0.523 0.000 0.275 405 S C -1.882 172.731 174.600 0.022 0.000 1.281 405 S CA -1.440 56.764 58.200 0.006 0.000 1.050 405 S CB 1.172 64.374 63.200 0.003 0.000 0.937 405 S HN -0.033 nan 8.310 nan 0.000 0.492 406 P HA 0.209 nan 4.420 nan 0.000 0.249 406 P C -0.305 177.017 177.300 0.036 0.000 1.229 406 P CA 0.134 63.254 63.100 0.034 0.000 0.788 406 P CB -0.021 31.704 31.700 0.042 0.000 1.072 407 I N 2.295 122.889 120.570 0.040 0.000 2.301 407 I HA 0.241 4.098 4.170 -0.523 0.000 0.292 407 I C -2.319 173.816 176.117 0.031 0.000 1.046 407 I CA -3.400 57.923 61.300 0.039 0.000 1.282 407 I CB 0.329 38.358 38.000 0.050 0.000 1.409 407 I HN -0.214 nan 8.210 nan 0.000 0.484 408 P HA 0.047 nan 4.420 nan 0.000 0.264 408 P C -0.378 176.933 177.300 0.019 0.000 1.193 408 P CA -0.181 62.931 63.100 0.021 0.000 0.763 408 P CB 0.367 32.077 31.700 0.017 0.000 0.810 409 Q N 2.722 122.535 119.800 0.022 0.000 2.844 409 Q HA 0.198 4.225 4.340 -0.523 0.000 0.235 409 Q C 1.384 177.392 176.000 0.013 0.000 1.336 409 Q CA -0.226 55.589 55.803 0.020 0.000 1.026 409 Q CB 0.304 29.064 28.738 0.038 0.000 1.513 409 Q HN 0.490 nan 8.270 nan 0.000 0.577 410 A N 2.064 124.886 122.820 0.003 0.000 1.884 410 A HA -0.144 3.862 4.320 -0.523 0.000 0.219 410 A C 1.122 178.704 177.584 -0.003 0.000 1.197 410 A CA 1.898 53.935 52.037 -0.001 0.000 0.637 410 A CB -0.239 18.756 19.000 -0.008 0.000 0.827 410 A HN 0.454 nan 8.150 nan 0.000 0.450 411 V N -2.187 117.720 119.914 -0.012 0.000 2.513 411 V HA 0.569 4.376 4.120 -0.523 0.000 0.299 411 V C -0.766 175.323 176.094 -0.008 0.000 1.035 411 V CA -1.036 61.255 62.300 -0.014 0.000 0.889 411 V CB 1.620 33.424 31.823 -0.032 0.000 0.988 411 V HN 0.267 nan 8.190 nan 0.000 0.440 412 D N 3.505 123.911 120.400 0.011 0.000 2.338 412 D HA 0.218 4.545 4.640 -0.523 0.000 0.255 412 D C 1.056 177.352 176.300 -0.007 0.000 1.237 412 D CA 0.017 54.043 54.000 0.043 0.000 0.883 412 D CB 1.048 41.894 40.800 0.077 0.000 1.087 412 D HN 0.630 nan 8.370 nan 0.000 0.485 413 L N 3.046 124.217 121.223 -0.088 0.000 2.265 413 L HA -0.137 3.889 4.340 -0.523 0.000 0.215 413 L C 1.305 177.928 176.870 -0.411 0.000 1.117 413 L CA 0.685 55.351 54.840 -0.291 0.000 0.782 413 L CB -0.346 41.443 42.059 -0.450 0.000 0.914 413 L HN 0.429 nan 8.230 nan 0.000 0.441 414 F N -0.052 119.900 119.950 0.003 0.000 2.732 414 F HA 0.312 4.526 4.527 -0.522 0.000 0.303 414 F C 1.555 177.357 175.800 0.004 0.000 1.110 414 F CA 0.147 58.150 58.000 0.005 0.000 1.355 414 F CB -0.440 38.569 39.000 0.015 0.000 1.081 414 F HN 0.030 nan 8.300 nan 0.000 0.565 415 A N 0.607 123.484 122.820 0.095 0.000 2.511 415 A HA 0.021 4.027 4.320 -0.523 0.000 0.297 415 A C 1.796 179.426 177.584 0.076 0.000 1.476 415 A CA 0.924 52.997 52.037 0.060 0.000 0.757 415 A CB -1.893 17.124 19.000 0.028 0.000 1.072 415 A HN 1.435 nan 8.150 nan 0.000 0.413 416 G N -1.433 107.421 108.800 0.092 0.000 2.189 416 G HA2 -0.330 3.317 3.960 -0.523 0.000 0.267 416 G HA3 -0.330 3.317 3.960 -0.523 0.000 0.267 416 G C 0.203 175.144 174.900 0.069 0.000 0.975 416 G CA 1.214 46.355 45.100 0.070 0.000 0.644 416 G HN 1.240 nan 8.290 nan 0.000 0.537 417 K N 0.811 121.269 120.400 0.098 0.000 2.098 417 K HA 0.490 4.497 4.320 -0.523 0.000 0.261 417 K C -2.656 173.971 176.600 0.044 0.000 0.987 417 K CA -2.039 54.292 56.287 0.073 0.000 0.916 417 K CB 1.184 33.736 32.500 0.088 0.000 1.039 417 K HN -0.035 nan 8.250 nan 0.000 0.455 418 P HA -0.009 nan 4.420 nan 0.000 0.266 418 P C 0.222 177.435 177.300 -0.145 0.000 1.195 418 P CA 0.154 63.216 63.100 -0.063 0.000 0.768 418 P CB 0.527 32.204 31.700 -0.038 0.000 0.838 419 Q N 1.616 121.208 119.800 -0.348 0.000 2.096 419 Q HA -0.283 3.744 4.340 -0.523 0.000 0.204 419 Q C 2.013 177.874 176.000 -0.230 0.000 0.982 419 Q CA 1.553 56.963 55.803 -0.656 0.000 0.850 419 Q CB -0.227 27.987 28.738 -0.873 0.000 0.901 419 Q HN 0.598 nan 8.270 nan 0.000 0.422 420 Q N 1.004 120.732 119.800 -0.120 0.000 2.112 420 Q HA -0.273 3.754 4.340 -0.523 0.000 0.206 420 Q C 1.955 177.972 176.000 0.028 0.000 0.987 420 Q CA 1.747 57.538 55.803 -0.019 0.000 0.858 420 Q CB -0.032 28.696 28.738 -0.017 0.000 0.905 420 Q HN 0.414 nan 8.270 nan 0.000 0.420 421 E N -0.743 119.467 120.200 0.017 0.000 2.077 421 E HA -0.171 3.866 4.350 -0.523 0.000 0.193 421 E C 1.887 178.540 176.600 0.089 0.000 0.989 421 E CA 1.458 57.888 56.400 0.049 0.000 0.800 421 E CB 0.126 29.850 29.700 0.040 0.000 0.746 421 E HN 0.311 nan 8.360 nan 0.000 0.452 422 V N 0.498 120.483 119.914 0.117 0.000 2.453 422 V HA -0.187 3.620 4.120 -0.523 0.000 0.247 422 V C 2.409 178.616 176.094 0.188 0.000 1.048 422 V CA 1.137 63.542 62.300 0.175 0.000 1.049 422 V CB -0.059 31.967 31.823 0.338 0.000 0.672 422 V HN 0.190 nan 8.190 nan 0.000 0.457 423 V N -0.099 119.954 119.914 0.232 0.000 2.295 423 V HA -0.248 3.559 4.120 -0.523 0.000 0.246 423 V C 2.327 178.645 176.094 0.374 0.000 1.049 423 V CA 1.946 64.483 62.300 0.394 0.000 1.024 423 V CB -0.497 31.548 31.823 0.371 0.000 0.648 423 V HN 0.431 nan 8.190 nan 0.000 0.447 424 L N -0.065 121.286 121.223 0.214 0.000 2.046 424 L HA -0.155 3.872 4.340 -0.523 0.000 0.208 424 L C 2.722 179.694 176.870 0.169 0.000 1.077 424 L CA 1.530 56.469 54.840 0.165 0.000 0.747 424 L CB -0.759 41.358 42.059 0.097 0.000 0.896 424 L HN 0.369 nan 8.230 nan 0.000 0.432 425 A N -0.001 122.906 122.820 0.145 0.000 1.902 425 A HA -0.178 3.828 4.320 -0.523 0.000 0.217 425 A C 2.514 180.179 177.584 0.135 0.000 1.181 425 A CA 1.731 53.839 52.037 0.119 0.000 0.623 425 A CB -0.688 18.364 19.000 0.088 0.000 0.818 425 A HN 0.406 nan 8.150 nan 0.000 0.443 426 A N -0.448 122.459 122.820 0.145 0.000 1.933 426 A HA -0.005 4.002 4.320 -0.523 0.000 0.218 426 A C 2.139 179.916 177.584 0.321 0.000 1.175 426 A CA 1.406 53.504 52.037 0.101 0.000 0.628 426 A CB -0.538 18.324 19.000 -0.230 0.000 0.814 426 A HN 0.472 nan 8.150 nan 0.000 0.444 427 L N -0.915 120.566 121.223 0.430 0.000 2.141 427 L HA -0.172 3.855 4.340 -0.523 0.000 0.209 427 L C 2.616 179.662 176.870 0.294 0.000 1.094 427 L CA 1.664 56.731 54.840 0.379 0.000 0.763 427 L CB -0.339 41.869 42.059 0.248 0.000 0.908 427 L HN 0.612 nan 8.230 nan 0.000 0.437 428 E N 0.182 120.521 120.200 0.232 0.000 2.072 428 E HA -0.230 3.806 4.350 -0.523 0.000 0.191 428 E C 1.554 178.296 176.600 0.237 0.000 0.985 428 E CA 1.302 57.836 56.400 0.222 0.000 0.801 428 E CB 0.174 29.966 29.700 0.153 0.000 0.750 428 E HN 0.395 nan 8.360 nan 0.000 0.452 429 D N -0.060 120.451 120.400 0.185 0.000 2.117 429 D HA -0.127 4.200 4.640 -0.523 0.000 0.197 429 D C 1.912 178.310 176.300 0.164 0.000 0.987 429 D CA 1.595 55.679 54.000 0.140 0.000 0.829 429 D CB -0.527 40.328 40.800 0.092 0.000 0.961 429 D HN 0.179 nan 8.370 nan 0.000 0.460 430 T N 0.298 114.991 114.554 0.232 0.000 2.684 430 T HA -0.178 3.858 4.350 -0.523 0.000 0.267 430 T C 1.654 176.526 174.700 0.287 0.000 1.036 430 T CA 0.945 63.199 62.100 0.256 0.000 1.148 430 T CB -0.377 68.695 68.868 0.340 0.000 0.863 430 T HN 0.388 nan 8.240 nan 0.000 0.436 431 W N 1.859 123.262 121.300 0.171 0.000 2.358 431 W HA -0.163 4.183 4.660 -0.523 0.000 0.303 431 W C 2.132 178.739 176.519 0.147 0.000 1.208 431 W CA 1.512 58.974 57.345 0.194 0.000 1.274 431 W CB -0.151 29.402 29.460 0.155 0.000 1.138 431 W HN 0.256 nan 8.180 nan 0.000 0.515 432 E N 0.091 120.348 120.200 0.095 0.000 2.051 432 E HA -0.167 3.869 4.350 -0.523 0.000 0.192 432 E C 2.210 178.721 176.600 -0.148 0.000 0.991 432 E CA 2.726 59.095 56.400 -0.051 0.000 0.799 432 E CB -0.655 29.082 29.700 0.063 0.000 0.748 432 E HN 0.009 nan 8.360 nan 0.000 0.449 433 T N 0.609 115.113 114.554 -0.083 0.000 2.674 433 T HA -0.116 3.921 4.350 -0.523 0.000 0.265 433 T C 1.855 176.414 174.700 -0.235 0.000 1.039 433 T CA 1.425 63.452 62.100 -0.123 0.000 1.150 433 T CB -0.269 68.567 68.868 -0.053 0.000 0.864 433 T HN 0.102 nan 8.240 nan 0.000 0.427 434 L N 1.354 122.430 121.223 -0.244 0.000 2.072 434 L HA -0.047 3.979 4.340 -0.523 0.000 0.205 434 L C 2.937 179.383 176.870 -0.707 0.000 1.079 434 L CA 1.304 55.874 54.840 -0.449 0.000 0.752 434 L CB -0.706 41.135 42.059 -0.362 0.000 0.906 434 L HN 0.370 nan 8.230 nan 0.000 0.436 435 S N 0.130 115.422 115.700 -0.680 0.000 2.399 435 S HA -0.225 3.931 4.470 -0.523 0.000 0.231 435 S C 1.961 176.301 174.600 -0.433 0.000 1.022 435 S CA 1.289 59.089 58.200 -0.667 0.000 0.983 435 S CB -0.235 62.251 63.200 -1.191 0.000 0.803 435 S HN 0.258 nan 8.310 nan 0.000 0.480 436 K N 1.953 122.120 120.400 -0.389 0.000 2.148 436 K HA 0.062 4.069 4.320 -0.523 0.000 0.204 436 K C 2.314 178.712 176.600 -0.337 0.000 1.050 436 K CA 1.292 57.410 56.287 -0.282 0.000 0.942 436 K CB -0.374 31.994 32.500 -0.219 0.000 0.724 436 K HN 0.481 nan 8.250 nan 0.000 0.446 437 R N -1.462 118.738 120.500 -0.501 0.000 2.080 437 R HA -0.020 4.006 4.340 -0.523 0.000 0.222 437 R C 0.994 176.824 176.300 -0.783 0.000 1.107 437 R CA 1.143 56.828 56.100 -0.692 0.000 0.980 437 R CB 0.009 29.714 30.300 -0.991 0.000 0.879 437 R HN 0.266 nan 8.270 nan 0.000 0.439 438 Y N -0.802 119.171 120.300 -0.545 0.000 2.481 438 Y HA 0.409 4.645 4.550 -0.523 0.000 0.247 438 Y C 0.795 176.559 175.900 -0.227 0.000 1.151 438 Y CA 0.303 58.088 58.100 -0.525 0.000 1.238 438 Y CB 1.248 39.007 38.460 -1.169 0.000 1.179 438 Y HN 0.336 nan 8.280 nan 0.000 0.524 439 G N 0.653 109.426 108.800 -0.046 0.000 2.631 439 G HA2 -0.253 3.393 3.960 -0.523 0.000 0.504 439 G HA3 -0.253 3.393 3.960 -0.523 0.000 0.504 439 G C 0.011 175.081 174.900 0.284 0.000 1.306 439 G CA -0.294 44.873 45.100 0.112 0.000 0.897 439 G HN 0.134 nan 8.290 nan 0.000 0.520 440 N N 0.453 119.324 118.700 0.285 0.000 2.398 440 N HA 0.025 4.451 4.740 -0.523 0.000 0.188 440 N C 0.652 176.399 175.510 0.395 0.000 1.122 440 N CA 0.456 53.751 53.050 0.408 0.000 0.866 440 N CB 0.113 38.823 38.487 0.372 0.000 0.970 440 N HN 0.523 nan 8.380 nan 0.000 0.462 441 N N 0.975 119.851 118.700 0.293 0.000 2.678 441 N HA 0.101 4.528 4.740 -0.523 0.000 0.231 441 N C 0.958 176.357 175.510 -0.185 0.000 1.038 441 N CA -0.198 52.905 53.050 0.089 0.000 0.932 441 N CB 0.713 39.254 38.487 0.090 0.000 1.176 441 N HN -0.299 nan 8.380 nan 0.000 0.511 442 V N 2.192 121.764 119.914 -0.570 0.000 2.380 442 V HA -0.271 3.535 4.120 -0.523 0.000 0.251 442 V C 2.258 177.952 176.094 -0.667 0.000 1.063 442 V CA 2.295 63.822 62.300 -1.289 0.000 1.055 442 V CB -0.908 30.349 31.823 -0.944 0.000 0.657 442 V HN 0.825 nan 8.190 nan 0.000 0.455 443 S N 1.486 116.994 115.700 -0.321 0.000 2.469 443 S HA -0.214 3.942 4.470 -0.523 0.000 0.238 443 S C 1.411 175.962 174.600 -0.082 0.000 0.998 443 S CA 1.516 59.614 58.200 -0.169 0.000 0.957 443 S CB -0.952 62.184 63.200 -0.106 0.000 0.764 443 S HN 0.942 nan 8.310 nan 0.000 0.514 444 N N -1.327 117.357 118.700 -0.027 0.000 2.214 444 N HA 0.062 4.488 4.740 -0.523 0.000 0.214 444 N C -0.880 174.741 175.510 0.187 0.000 1.132 444 N CA -0.696 52.400 53.050 0.076 0.000 0.856 444 N CB 0.021 38.566 38.487 0.095 0.000 1.020 444 N HN 0.265 nan 8.380 nan 0.000 0.509 445 W N 2.725 123.944 121.300 -0.135 0.000 2.446 445 W HA 0.253 4.599 4.660 -0.523 0.000 0.316 445 W C 0.078 176.392 176.519 -0.342 0.000 1.376 445 W CA -0.932 56.221 57.345 -0.320 0.000 1.300 445 W CB 0.228 29.443 29.460 -0.409 0.000 1.351 445 W HN -0.077 nan 8.180 nan 0.000 0.530 446 K N 2.946 123.251 120.400 -0.159 0.000 2.357 446 K HA 0.197 4.204 4.320 -0.523 0.000 0.251 446 K C 0.472 176.956 176.600 -0.192 0.000 1.069 446 K CA -0.324 55.902 56.287 -0.102 0.000 0.994 446 K CB 0.553 33.043 32.500 -0.018 0.000 1.411 446 K HN 0.328 nan 8.250 nan 0.000 0.450 447 T N 0.121 114.560 114.554 -0.191 0.000 2.913 447 T HA 0.270 4.307 4.350 -0.523 0.000 0.297 447 T C -2.361 172.297 174.700 -0.071 0.000 1.029 447 T CA -2.036 59.988 62.100 -0.126 0.000 1.104 447 T CB 0.704 69.549 68.868 -0.038 0.000 0.964 447 T HN 0.121 nan 8.240 nan 0.000 0.532 448 P HA 0.370 nan 4.420 nan 0.000 0.271 448 P C -0.608 176.355 177.300 -0.562 0.000 1.220 448 P CA -0.349 62.618 63.100 -0.221 0.000 0.768 448 P CB 0.242 31.862 31.700 -0.134 0.000 0.848 449 A N 4.336 126.655 122.820 -0.835 0.000 2.302 449 A HA 0.553 4.560 4.320 -0.523 0.000 0.285 449 A C 0.281 177.324 177.584 -0.901 0.000 1.105 449 A CA -0.653 50.352 52.037 -1.720 0.000 0.816 449 A CB 0.092 18.223 19.000 -1.448 0.000 1.067 449 A HN 0.486 nan 8.150 nan 0.000 0.489 450 M N 1.338 120.480 119.600 -0.763 0.000 2.242 450 M HA 0.436 4.602 4.480 -0.523 0.000 0.344 450 M C 0.536 176.818 176.300 -0.029 0.000 1.140 450 M CA 0.173 55.363 55.300 -0.184 0.000 1.160 450 M CB 1.200 33.824 32.600 0.040 0.000 1.491 450 M HN 0.825 nan 8.290 nan 0.000 0.459 451 A N 2.842 125.653 122.820 -0.015 0.000 2.284 451 A HA 0.928 4.935 4.320 -0.523 0.000 0.317 451 A C -1.389 176.227 177.584 0.053 0.000 1.120 451 A CA -0.779 51.276 52.037 0.031 0.000 0.900 451 A CB 1.164 20.169 19.000 0.009 0.000 1.319 451 A HN 0.843 nan 8.150 nan 0.000 0.494 452 L N -0.387 120.818 121.223 -0.030 0.000 2.386 452 L HA 0.715 4.742 4.340 -0.523 0.000 0.271 452 L C -1.032 175.696 176.870 -0.237 0.000 0.993 452 L CA -0.050 54.645 54.840 -0.242 0.000 0.819 452 L CB 2.425 44.167 42.059 -0.528 0.000 1.294 452 L HN 0.686 nan 8.230 nan 0.000 0.414 453 T N 4.058 118.430 114.554 -0.304 0.000 2.841 453 T HA 0.473 4.510 4.350 -0.523 0.000 0.285 453 T C -0.848 173.672 174.700 -0.300 0.000 0.991 453 T CA -0.097 61.845 62.100 -0.264 0.000 0.966 453 T CB 0.809 69.576 68.868 -0.169 0.000 0.962 453 T HN 0.248 nan 8.240 nan 0.000 0.438 454 F N 3.351 123.189 119.950 -0.186 0.000 2.377 454 F HA 0.365 4.580 4.527 -0.521 0.000 0.360 454 F C 1.303 177.039 175.800 -0.106 0.000 1.147 454 F CA -0.846 57.091 58.000 -0.104 0.000 1.170 454 F CB 0.314 39.258 39.000 -0.094 0.000 1.339 454 F HN 0.190 nan 8.300 nan 0.000 0.552 455 R N 1.527 122.044 120.500 0.029 0.000 2.543 455 R HA 0.363 4.390 4.340 -0.523 0.000 0.277 455 R C 1.036 177.468 176.300 0.221 0.000 1.074 455 R CA 0.025 56.180 56.100 0.093 0.000 1.076 455 R CB 0.833 31.183 30.300 0.084 0.000 0.993 455 R HN 0.750 nan 8.270 nan 0.000 0.459 456 A N 2.888 125.811 122.820 0.173 0.000 2.119 456 A HA -0.020 3.987 4.320 -0.523 0.000 0.216 456 A C 0.247 177.947 177.584 0.193 0.000 1.152 456 A CA 0.616 52.755 52.037 0.170 0.000 0.708 456 A CB -0.080 18.994 19.000 0.122 0.000 0.805 456 A HN 0.575 nan 8.150 nan 0.000 0.460 457 N N 1.428 120.265 118.700 0.228 0.000 2.456 457 N HA 0.276 4.703 4.740 -0.523 0.000 0.288 457 N C -0.198 175.503 175.510 0.319 0.000 1.059 457 N CA -0.480 52.701 53.050 0.218 0.000 0.946 457 N CB 0.878 39.477 38.487 0.187 0.000 1.150 457 N HN 0.570 nan 8.380 nan 0.000 0.479 458 N N 0.729 119.543 118.700 0.190 0.000 2.294 458 N HA -0.021 4.406 4.740 -0.523 0.000 0.248 458 N C 1.010 176.554 175.510 0.057 0.000 1.300 458 N CA -0.331 52.737 53.050 0.029 0.000 0.925 458 N CB -0.024 38.499 38.487 0.060 0.000 1.188 458 N HN 0.542 nan 8.380 nan 0.000 0.512 459 F N -2.250 117.618 119.950 -0.137 0.000 2.307 459 F HA 0.108 4.373 4.527 -0.436 0.000 0.301 459 F C 1.225 177.046 175.800 0.035 0.000 1.076 459 F CA 0.465 58.476 58.000 0.017 0.000 1.383 459 F CB -0.689 38.277 39.000 -0.057 0.000 1.055 459 F HN 0.259 nan 8.300 nan 0.000 0.526 460 F N 1.393 121.018 119.950 -0.541 0.000 2.661 460 F HA 0.293 4.521 4.527 -0.498 0.000 0.298 460 F C 2.121 177.879 175.800 -0.070 0.000 1.137 460 F CA 0.849 58.656 58.000 -0.321 0.000 1.454 460 F CB -0.405 38.348 39.000 -0.412 0.000 1.103 460 F HN 0.249 nan 8.300 nan 0.000 0.577 461 G N 0.287 109.186 108.800 0.165 0.000 2.131 461 G HA2 -0.208 3.439 3.960 -0.523 0.000 0.223 461 G HA3 -0.208 3.439 3.960 -0.523 0.000 0.223 461 G C -0.277 174.692 174.900 0.115 0.000 0.990 461 G CA -0.067 45.123 45.100 0.151 0.000 0.671 461 G HN 0.133 nan 8.290 nan 0.000 0.521 462 V N 1.398 121.375 119.914 0.105 0.000 2.398 462 V HA 0.484 4.290 4.120 -0.523 0.000 0.286 462 V C -1.781 174.355 176.094 0.071 0.000 1.026 462 V CA -1.910 60.422 62.300 0.055 0.000 0.868 462 V CB 1.840 33.653 31.823 -0.018 0.000 0.982 462 V HN 0.076 nan 8.190 nan 0.000 0.443 463 P HA 0.046 nan 4.420 nan 0.000 0.262 463 P C -0.041 177.299 177.300 0.067 0.000 1.182 463 P CA 0.301 63.445 63.100 0.074 0.000 0.761 463 P CB 0.167 31.901 31.700 0.057 0.000 0.795 464 Q N 2.419 122.272 119.800 0.087 0.000 2.118 464 Q HA 0.631 4.658 4.340 -0.523 0.000 0.219 464 Q C -0.239 175.810 176.000 0.082 0.000 0.794 464 Q CA -0.574 55.276 55.803 0.079 0.000 1.035 464 Q CB 0.810 29.601 28.738 0.090 0.000 1.177 464 Q HN 0.332 nan 8.270 nan 0.000 0.478 465 A N 0.322 123.193 122.820 0.085 0.000 2.522 465 A HA 0.747 4.753 4.320 -0.523 0.000 0.291 465 A C -1.505 176.126 177.584 0.079 0.000 1.039 465 A CA -0.475 51.614 52.037 0.087 0.000 0.643 465 A CB 0.179 19.243 19.000 0.107 0.000 1.310 465 A HN 0.400 nan 8.150 nan 0.000 0.436 466 A N 0.149 123.012 122.820 0.072 0.000 2.371 466 A HA 0.630 4.637 4.320 -0.523 0.000 0.257 466 A C 1.514 179.143 177.584 0.075 0.000 1.089 466 A CA 0.605 52.679 52.037 0.061 0.000 0.794 466 A CB -0.005 19.022 19.000 0.045 0.000 1.029 466 A HN 2.441 nan 8.150 nan 0.000 0.488 467 A N 1.060 123.922 122.820 0.070 0.000 1.927 467 A HA -0.242 3.765 4.320 -0.523 0.000 0.220 467 A C 1.844 179.478 177.584 0.084 0.000 1.185 467 A CA 2.073 54.156 52.037 0.078 0.000 0.639 467 A CB -0.816 18.226 19.000 0.070 0.000 0.820 467 A HN 1.020 nan 8.150 nan 0.000 0.451 468 E N 0.100 120.345 120.200 0.075 0.000 2.331 468 E HA -0.225 3.812 4.350 -0.523 0.000 0.199 468 E C 1.202 177.861 176.600 0.098 0.000 1.008 468 E CA 1.335 57.782 56.400 0.079 0.000 0.843 468 E CB -0.394 29.340 29.700 0.057 0.000 0.761 468 E HN 0.785 nan 8.360 nan 0.000 0.507 469 E N 0.945 121.210 120.200 0.108 0.000 2.502 469 E HA 0.021 4.058 4.350 -0.523 0.000 0.194 469 E C -0.008 176.651 176.600 0.097 0.000 1.062 469 E CA 0.159 56.644 56.400 0.140 0.000 0.867 469 E CB 0.195 29.997 29.700 0.170 0.000 0.888 469 E HN 0.150 nan 8.360 nan 0.000 0.510 470 T N 2.048 116.651 114.554 0.082 0.000 2.940 470 T HA 0.090 4.126 4.350 -0.523 0.000 0.309 470 T C 0.283 174.983 174.700 0.000 0.000 1.056 470 T CA 0.235 62.352 62.100 0.029 0.000 1.137 470 T CB 0.550 69.429 68.868 0.018 0.000 0.976 470 T HN -0.050 nan 8.240 nan 0.000 0.547 471 R N 1.817 122.287 120.500 -0.050 0.000 2.750 471 R HA 0.424 4.450 4.340 -0.523 0.000 0.281 471 R C -0.565 175.696 176.300 -0.065 0.000 0.972 471 R CA -0.698 55.403 56.100 0.002 0.000 0.912 471 R CB 1.598 31.879 30.300 -0.032 0.000 1.187 471 R HN 0.724 nan 8.270 nan 0.000 0.464 472 H N 1.091 120.246 119.070 0.142 0.000 2.622 472 H HA 0.311 4.555 4.556 -0.520 0.000 0.363 472 H C -0.668 174.726 175.328 0.110 0.000 1.151 472 H CA -0.610 55.505 56.048 0.112 0.000 1.184 472 H CB 3.124 32.920 29.762 0.055 0.000 1.643 472 H HN 0.376 nan 8.280 nan 0.000 0.531 473 Q N 1.035 120.950 119.800 0.192 0.000 2.337 473 Q HA 0.527 4.553 4.340 -0.523 0.000 0.270 473 Q C -0.268 175.774 176.000 0.070 0.000 1.043 473 Q CA -0.701 55.176 55.803 0.123 0.000 0.794 473 Q CB 2.035 30.845 28.738 0.120 0.000 1.281 473 Q HN 0.777 nan 8.270 nan 0.000 0.446 474 A N 3.622 126.476 122.820 0.056 0.000 1.902 474 A HA -0.120 3.887 4.320 -0.523 0.000 0.217 474 A C 0.723 178.327 177.584 0.034 0.000 1.181 474 A CA 1.295 53.351 52.037 0.032 0.000 0.623 474 A CB -0.146 18.869 19.000 0.026 0.000 0.818 474 A HN 0.777 nan 8.150 nan 0.000 0.443 475 E N -0.418 119.812 120.200 0.050 0.000 2.081 475 E HA 0.324 4.360 4.350 -0.523 0.000 0.281 475 E C -1.214 175.428 176.600 0.071 0.000 0.986 475 E CA -0.834 55.625 56.400 0.100 0.000 0.796 475 E CB 0.324 30.096 29.700 0.121 0.000 1.085 475 E HN 0.393 nan 8.360 nan 0.000 0.398 476 Y N 3.920 124.243 120.300 0.037 0.000 2.511 476 Y HA 0.030 4.262 4.550 -0.530 0.000 0.332 476 Y C -0.614 175.324 175.900 0.063 0.000 1.177 476 Y CA 0.464 58.548 58.100 -0.027 0.000 1.422 476 Y CB 0.626 39.117 38.460 0.052 0.000 1.271 476 Y HN 0.481 nan 8.280 nan 0.000 0.550 477 Q N 4.691 123.913 119.800 -0.965 0.000 2.292 477 Q HA 0.176 4.202 4.340 -0.523 0.000 0.270 477 Q C -1.175 174.384 176.000 -0.735 0.000 1.024 477 Q CA -0.972 54.502 55.803 -0.549 0.000 0.768 477 Q CB 1.351 29.939 28.738 -0.249 0.000 1.250 477 Q HN 0.606 nan 8.270 nan 0.000 0.447 478 N N 3.745 122.269 118.700 -0.293 0.000 2.895 478 N HA 0.068 4.495 4.740 -0.523 0.000 0.277 478 N C -1.139 174.506 175.510 0.225 0.000 1.185 478 N CA 0.079 53.199 53.050 0.117 0.000 1.106 478 N CB 0.086 38.805 38.487 0.387 0.000 1.422 478 N HN 0.592 nan 8.380 nan 0.000 0.521 479 R N -0.474 120.154 120.500 0.213 0.000 2.846 479 R HA 0.685 4.711 4.340 -0.523 0.000 0.263 479 R C 0.010 176.408 176.300 0.164 0.000 1.080 479 R CA -1.139 55.040 56.100 0.132 0.000 0.961 479 R CB -0.085 30.254 30.300 0.065 0.000 1.231 479 R HN 0.089 nan 8.270 nan 0.000 0.465 480 G N -0.066 108.736 108.800 0.004 0.000 2.432 480 G HA2 0.133 3.779 3.960 -0.523 0.000 0.239 480 G HA3 0.133 3.779 3.960 -0.523 0.000 0.239 480 G C 0.426 175.382 174.900 0.094 0.000 1.291 480 G CA -0.180 44.883 45.100 -0.062 0.000 0.863 480 G HN 0.587 nan 8.290 nan 0.000 0.560 481 T N 1.054 115.537 114.554 -0.118 0.000 2.737 481 T HA -0.084 3.953 4.350 -0.523 0.000 0.269 481 T C 0.892 175.661 174.700 0.115 0.000 1.040 481 T CA 2.123 64.121 62.100 -0.170 0.000 1.142 481 T CB -0.140 68.608 68.868 -0.201 0.000 0.861 481 T HN 0.847 nan 8.240 nan 0.000 0.456 482 E N 0.361 120.605 120.200 0.074 0.000 2.369 482 E HA 0.589 4.625 4.350 -0.523 0.000 0.270 482 E C -1.494 175.092 176.600 -0.023 0.000 0.909 482 E CA -1.036 55.416 56.400 0.087 0.000 0.775 482 E CB 0.922 30.616 29.700 -0.009 0.000 1.270 482 E HN 0.062 nan 8.360 nan 0.000 0.445 483 N N 0.759 119.472 118.700 0.022 0.000 2.249 483 N HA 0.420 4.846 4.740 -0.523 0.000 0.296 483 N C -1.931 173.617 175.510 0.063 0.000 1.051 483 N CA -0.799 52.195 53.050 -0.094 0.000 0.815 483 N CB 1.484 39.822 38.487 -0.248 0.000 1.487 483 N HN 0.659 nan 8.380 nan 0.000 0.475 484 D N 1.424 121.825 120.400 0.000 0.000 2.819 484 D HA 0.356 4.683 4.640 -0.523 0.000 0.232 484 D C -1.135 175.239 176.300 0.122 0.000 1.160 484 D CA -0.525 53.542 54.000 0.112 0.000 0.858 484 D CB 2.052 42.867 40.800 0.025 0.000 1.610 484 D HN 0.360 nan 8.370 nan 0.000 0.481 485 M N 2.022 121.758 119.600 0.226 0.000 2.327 485 M HA 0.509 4.676 4.480 -0.523 0.000 0.298 485 M C -2.143 174.203 176.300 0.077 0.000 1.065 485 M CA -0.707 54.699 55.300 0.177 0.000 0.916 485 M CB 1.807 34.617 32.600 0.349 0.000 1.630 485 M HN 0.411 nan 8.290 nan 0.000 0.442 486 I N 4.708 125.225 120.570 -0.087 0.000 2.465 486 I HA 0.538 4.395 4.170 -0.523 0.000 0.291 486 I C -0.986 174.944 176.117 -0.312 0.000 1.014 486 I CA -0.630 60.466 61.300 -0.341 0.000 1.093 486 I CB 2.147 39.820 38.000 -0.546 0.000 1.267 486 I HN 0.371 nan 8.210 nan 0.000 0.431 487 V N 6.218 125.905 119.914 -0.377 0.000 2.407 487 V HA 0.433 4.239 4.120 -0.523 0.000 0.291 487 V C -0.673 175.209 176.094 -0.353 0.000 1.018 487 V CA -0.560 61.614 62.300 -0.209 0.000 0.842 487 V CB 1.184 33.018 31.823 0.018 0.000 0.996 487 V HN 0.355 nan 8.190 nan 0.000 0.426 488 F N 2.093 121.991 119.950 -0.086 0.000 2.404 488 F HA 0.437 4.649 4.527 -0.525 0.000 0.339 488 F C 1.315 177.086 175.800 -0.048 0.000 1.105 488 F CA -0.320 57.626 58.000 -0.089 0.000 1.087 488 F CB 1.702 40.647 39.000 -0.091 0.000 1.143 488 F HN 0.578 nan 8.300 nan 0.000 0.491 489 S N 2.043 117.857 115.700 0.190 0.000 3.484 489 S HA -0.139 4.018 4.470 -0.523 0.000 0.384 489 S C -2.563 172.074 174.600 0.063 0.000 0.932 489 S CA -0.629 57.633 58.200 0.103 0.000 1.293 489 S CB -1.765 61.490 63.200 0.092 0.000 0.919 489 S HN 0.295 nan 8.310 nan 0.000 0.540 490 P HA 0.176 nan 4.420 nan 0.000 0.271 490 P C 1.232 178.550 177.300 0.030 0.000 1.216 490 P CA -0.202 62.918 63.100 0.032 0.000 0.771 490 P CB 0.568 32.282 31.700 0.024 0.000 0.864 491 T N -2.497 112.073 114.554 0.027 0.000 3.081 491 T HA -0.051 3.985 4.350 -0.523 0.000 0.255 491 T C 1.113 175.825 174.700 0.020 0.000 1.113 491 T CA 1.048 63.161 62.100 0.022 0.000 1.082 491 T CB -1.024 67.855 68.868 0.018 0.000 0.939 491 T HN 0.436 nan 8.240 nan 0.000 0.506 492 T N -0.997 113.571 114.554 0.022 0.000 3.144 492 T HA 0.392 4.429 4.350 -0.523 0.000 0.249 492 T C 0.502 175.218 174.700 0.026 0.000 1.089 492 T CA -0.216 61.897 62.100 0.022 0.000 0.989 492 T CB -0.024 68.858 68.868 0.023 0.000 0.992 492 T HN 0.355 nan 8.240 nan 0.000 0.540 493 S N 0.894 116.609 115.700 0.025 0.000 2.579 493 S HA 0.421 4.577 4.470 -0.523 0.000 0.272 493 S C -0.460 174.153 174.600 0.020 0.000 1.141 493 S CA -0.419 57.795 58.200 0.023 0.000 0.843 493 S CB 1.708 64.922 63.200 0.023 0.000 1.122 493 S HN 0.275 nan 8.310 nan 0.000 0.468 494 D N 1.283 121.695 120.400 0.020 0.000 2.348 494 D HA 0.077 4.404 4.640 -0.523 0.000 0.211 494 D C 0.407 176.720 176.300 0.020 0.000 0.998 494 D CA 0.177 54.189 54.000 0.020 0.000 0.873 494 D CB 0.024 40.835 40.800 0.018 0.000 0.925 494 D HN 0.257 nan 8.370 nan 0.000 0.524 495 R N 1.006 121.515 120.500 0.015 0.000 2.643 495 R HA 0.167 4.194 4.340 -0.523 0.000 0.270 495 R C -1.704 174.604 176.300 0.013 0.000 1.061 495 R CA -1.243 54.864 56.100 0.011 0.000 1.107 495 R CB -0.372 29.920 30.300 -0.013 0.000 0.999 495 R HN 0.094 nan 8.270 nan 0.000 0.460 496 P HA 0.020 nan 4.420 nan 0.000 0.231 496 P C 0.081 177.419 177.300 0.062 0.000 1.168 496 P CA 0.533 63.672 63.100 0.066 0.000 0.779 496 P CB 0.564 32.321 31.700 0.095 0.000 0.844 497 V N -0.459 119.425 119.914 -0.051 0.000 2.969 497 V HA 0.433 4.239 4.120 -0.523 0.000 0.304 497 V C -1.959 173.919 176.094 -0.359 0.000 1.192 497 V CA -1.036 61.102 62.300 -0.269 0.000 0.962 497 V CB 2.113 33.705 31.823 -0.386 0.000 1.045 497 V HN -0.267 nan 8.190 nan 0.000 0.428 498 L N 5.371 126.284 121.223 -0.516 0.000 2.386 498 L HA 1.006 5.033 4.340 -0.523 0.000 0.271 498 L C -0.253 176.068 176.870 -0.915 0.000 0.993 498 L CA -0.538 53.881 54.840 -0.701 0.000 0.819 498 L CB 2.004 43.698 42.059 -0.608 0.000 1.294 498 L HN 0.855 nan 8.230 nan 0.000 0.414 499 A N 2.644 124.797 122.820 -1.111 0.000 2.515 499 A HA 0.888 4.895 4.320 -0.523 0.000 0.298 499 A C -1.993 175.074 177.584 -0.861 0.000 1.059 499 A CA -0.480 51.100 52.037 -0.762 0.000 0.698 499 A CB 1.678 20.419 19.000 -0.432 0.000 1.289 499 A HN 0.693 nan 8.150 nan 0.000 0.404 500 W N 0.813 121.942 121.300 -0.285 0.000 3.118 500 W HA 0.522 4.866 4.660 -0.527 0.000 0.328 500 W C -1.223 175.193 176.519 -0.172 0.000 1.239 500 W CA -0.339 56.825 57.345 -0.302 0.000 1.176 500 W CB 2.314 31.525 29.460 -0.416 0.000 1.433 500 W HN 1.022 nan 8.180 nan 0.000 0.562 501 D N -0.832 119.623 120.400 0.091 0.000 2.759 501 D HA 0.561 4.887 4.640 -0.523 0.000 0.321 501 D C -1.886 174.484 176.300 0.116 0.000 1.267 501 D CA -0.630 53.438 54.000 0.114 0.000 0.933 501 D CB 2.032 42.859 40.800 0.045 0.000 1.431 501 D HN 0.149 nan 8.370 nan 0.000 0.504 502 V N -0.261 119.739 119.914 0.143 0.000 2.697 502 V HA 0.518 4.324 4.120 -0.523 0.000 0.300 502 V C -1.802 174.375 176.094 0.138 0.000 1.115 502 V CA -0.458 61.937 62.300 0.159 0.000 0.912 502 V CB 1.664 33.646 31.823 0.264 0.000 1.024 502 V HN 0.586 nan 8.190 nan 0.000 0.431 503 V N 7.196 127.150 119.914 0.067 0.000 2.327 503 V HA 0.776 4.583 4.120 -0.523 0.000 0.272 503 V C 0.525 176.608 176.094 -0.018 0.000 1.019 503 V CA 0.115 62.429 62.300 0.023 0.000 0.814 503 V CB 1.139 32.945 31.823 -0.029 0.000 1.040 503 V HN 1.120 nan 8.190 nan 0.000 0.440 504 A N 5.797 128.594 122.820 -0.037 0.000 2.303 504 A HA 0.835 4.842 4.320 -0.523 0.000 0.317 504 A C -1.682 175.740 177.584 -0.271 0.000 1.149 504 A CA -1.594 50.328 52.037 -0.192 0.000 0.822 504 A CB 1.128 19.963 19.000 -0.275 0.000 1.131 504 A HN 0.554 nan 8.150 nan 0.000 0.493 505 P HA 0.131 nan 4.420 nan 0.000 0.221 505 P C 0.659 177.807 177.300 -0.253 0.000 1.150 505 P CA 1.583 64.395 63.100 -0.480 0.000 0.800 505 P CB 0.258 31.622 31.700 -0.562 0.000 0.787 506 G N -1.775 106.915 108.800 -0.184 0.000 2.441 506 G HA2 0.192 3.838 3.960 -0.523 0.000 0.294 506 G HA3 0.192 3.838 3.960 -0.523 0.000 0.294 506 G C -0.381 174.480 174.900 -0.064 0.000 1.393 506 G CA -0.246 44.805 45.100 -0.083 0.000 0.796 506 G HN -0.182 nan 8.290 nan 0.000 0.494 507 Q N -0.033 119.744 119.800 -0.039 0.000 2.167 507 Q HA 0.127 4.154 4.340 -0.523 0.000 0.202 507 Q C 1.318 177.314 176.000 -0.006 0.000 0.970 507 Q CA 1.930 57.678 55.803 -0.093 0.000 0.855 507 Q CB -0.078 28.562 28.738 -0.163 0.000 0.911 507 Q HN 0.607 nan 8.270 nan 0.000 0.438 508 S N -1.758 113.999 115.700 0.095 0.000 2.509 508 S HA 0.639 4.795 4.470 -0.523 0.000 0.297 508 S C 0.419 175.137 174.600 0.196 0.000 1.118 508 S CA -0.337 57.970 58.200 0.179 0.000 1.074 508 S CB 1.429 64.783 63.200 0.257 0.000 1.038 508 S HN 0.380 nan 8.310 nan 0.000 0.498 509 G N 2.779 111.719 108.800 0.234 0.000 3.324 509 G HA2 0.192 3.838 3.960 -0.523 0.000 0.251 509 G HA3 0.192 3.838 3.960 -0.523 0.000 0.251 509 G C -0.102 175.007 174.900 0.348 0.000 1.072 509 G CA -0.348 44.901 45.100 0.248 0.000 0.787 509 G HN 0.613 nan 8.290 nan 0.000 0.537 510 F N 1.873 121.944 119.950 0.201 0.000 2.495 510 F HA 0.540 4.752 4.527 -0.524 0.000 0.365 510 F C -0.070 175.767 175.800 0.061 0.000 1.090 510 F CA -0.725 57.348 58.000 0.123 0.000 1.235 510 F CB 0.483 39.536 39.000 0.089 0.000 1.119 510 F HN -0.153 nan 8.300 nan 0.000 0.562 511 I N 6.305 126.312 120.570 -0.938 0.000 2.478 511 I HA 0.405 4.262 4.170 -0.523 0.000 0.287 511 I C -0.099 175.339 176.117 -1.131 0.000 1.042 511 I CA -0.979 59.850 61.300 -0.785 0.000 1.067 511 I CB 1.538 39.274 38.000 -0.439 0.000 1.233 511 I HN 0.754 nan 8.210 nan 0.000 0.431 512 A N 7.569 129.929 122.820 -0.766 0.000 2.346 512 A HA 0.428 4.435 4.320 -0.523 0.000 0.252 512 A C -1.686 175.765 177.584 -0.222 0.000 1.089 512 A CA -0.913 50.897 52.037 -0.379 0.000 0.797 512 A CB -0.263 18.737 19.000 -0.001 0.000 1.047 512 A HN 0.583 nan 8.150 nan 0.000 0.494 513 P HA -0.163 nan 4.420 nan 0.000 0.216 513 P C 0.526 177.791 177.300 -0.059 0.000 1.150 513 P CA 1.721 64.786 63.100 -0.059 0.000 0.843 513 P CB -0.029 31.666 31.700 -0.007 0.000 0.787 514 D N -1.816 118.554 120.400 -0.050 0.000 2.349 514 D HA 0.063 4.390 4.640 -0.523 0.000 0.224 514 D C 1.370 177.630 176.300 -0.068 0.000 1.029 514 D CA 0.670 54.643 54.000 -0.045 0.000 0.879 514 D CB -0.956 39.829 40.800 -0.026 0.000 0.906 514 D HN 0.249 nan 8.370 nan 0.000 0.528 515 G N -0.695 108.041 108.800 -0.107 0.000 2.175 515 G HA2 -0.255 3.392 3.960 -0.523 0.000 0.244 515 G HA3 -0.255 3.392 3.960 -0.523 0.000 0.244 515 G C 0.348 175.153 174.900 -0.159 0.000 0.982 515 G CA 0.212 45.232 45.100 -0.133 0.000 0.641 515 G HN 0.438 nan 8.290 nan 0.000 0.527 516 T N 1.607 116.080 114.554 -0.135 0.000 2.799 516 T HA 0.430 4.466 4.350 -0.523 0.000 0.296 516 T C 0.767 175.355 174.700 -0.187 0.000 0.947 516 T CA -0.016 62.011 62.100 -0.122 0.000 1.141 516 T CB 1.979 70.816 68.868 -0.053 0.000 0.891 516 T HN 0.351 nan 8.240 nan 0.000 0.533 517 V N 4.114 123.886 119.914 -0.237 0.000 2.686 517 V HA 0.070 3.877 4.120 -0.523 0.000 0.295 517 V C 0.829 176.849 176.094 -0.123 0.000 1.055 517 V CA -0.443 61.641 62.300 -0.360 0.000 1.050 517 V CB 1.267 32.755 31.823 -0.559 0.000 0.984 517 V HN 0.894 nan 8.190 nan 0.000 0.482 518 D N 3.035 123.439 120.400 0.006 0.000 2.400 518 D HA 0.018 4.345 4.640 -0.523 0.000 0.238 518 D C 1.398 177.738 176.300 0.068 0.000 1.157 518 D CA 0.141 54.232 54.000 0.152 0.000 0.889 518 D CB 0.739 41.721 40.800 0.303 0.000 1.199 518 D HN 0.662 nan 8.370 nan 0.000 0.436 519 K N 0.966 121.348 120.400 -0.030 0.000 2.280 519 K HA -0.190 3.816 4.320 -0.523 0.000 0.202 519 K C 0.384 176.780 176.600 -0.340 0.000 1.047 519 K CA 1.360 57.521 56.287 -0.209 0.000 0.942 519 K CB -0.211 32.093 32.500 -0.326 0.000 0.739 519 K HN 0.519 nan 8.250 nan 0.000 0.457 520 H N -1.054 118.084 119.070 0.114 0.000 2.472 520 H HA 0.114 4.356 4.556 -0.522 0.000 0.287 520 H C 0.038 175.433 175.328 0.112 0.000 1.112 520 H CA -0.548 55.553 56.048 0.089 0.000 1.021 520 H CB 0.298 30.092 29.762 0.054 0.000 1.635 520 H HN 0.240 nan 8.280 nan 0.000 0.559 521 Y N 1.907 122.246 120.300 0.065 0.000 2.475 521 Y HA -0.048 4.191 4.550 -0.518 0.000 0.289 521 Y C 1.199 177.097 175.900 -0.004 0.000 1.121 521 Y CA 1.194 59.316 58.100 0.036 0.000 1.257 521 Y CB 0.770 39.241 38.460 0.018 0.000 1.026 521 Y HN 0.403 nan 8.280 nan 0.000 0.555 522 E N -1.350 118.892 120.200 0.071 0.000 2.933 522 E HA 0.045 4.082 4.350 -0.523 0.000 0.175 522 E C -0.054 176.542 176.600 -0.006 0.000 0.932 522 E CA 0.372 56.748 56.400 -0.040 0.000 1.340 522 E CB -0.482 29.241 29.700 0.038 0.000 1.025 522 E HN 0.419 nan 8.360 nan 0.000 0.461 523 D N 1.047 121.472 120.400 0.041 0.000 2.336 523 D HA -0.090 4.236 4.640 -0.523 0.000 0.229 523 D C 1.029 177.353 176.300 0.041 0.000 1.061 523 D CA 0.179 54.214 54.000 0.059 0.000 0.875 523 D CB 0.224 41.096 40.800 0.119 0.000 0.904 523 D HN 0.338 nan 8.370 nan 0.000 0.525 524 Q N -0.739 119.061 119.800 0.001 0.000 2.164 524 Q HA 0.167 4.194 4.340 -0.523 0.000 0.226 524 Q C 1.199 177.205 176.000 0.009 0.000 0.813 524 Q CA -0.370 55.442 55.803 0.014 0.000 0.978 524 Q CB 0.617 29.362 28.738 0.012 0.000 1.149 524 Q HN 0.060 nan 8.270 nan 0.000 0.489 525 L N 1.279 122.469 121.223 -0.055 0.000 2.027 525 L HA -0.129 3.897 4.340 -0.523 0.000 0.206 525 L C 1.929 178.824 176.870 0.041 0.000 1.074 525 L CA 1.906 56.696 54.840 -0.085 0.000 0.745 525 L CB -0.079 41.876 42.059 -0.174 0.000 0.898 525 L HN -0.019 nan 8.230 nan 0.000 0.433 526 K N -1.112 119.308 120.400 0.034 0.000 2.103 526 K HA -0.122 3.884 4.320 -0.523 0.000 0.204 526 K C 2.066 178.695 176.600 0.048 0.000 1.052 526 K CA 1.399 57.712 56.287 0.043 0.000 0.945 526 K CB -0.464 32.056 32.500 0.033 0.000 0.722 526 K HN 0.370 nan 8.250 nan 0.000 0.443 527 M N -0.146 119.490 119.600 0.060 0.000 2.108 527 M HA -0.245 3.922 4.480 -0.523 0.000 0.261 527 M C 2.181 178.521 176.300 0.067 0.000 1.066 527 M CA 1.638 56.975 55.300 0.062 0.000 1.107 527 M CB -0.270 32.372 32.600 0.070 0.000 1.356 527 M HN 0.077 nan 8.290 nan 0.000 0.406 528 Y N 0.982 121.278 120.300 -0.006 0.000 2.070 528 Y HA -0.322 3.910 4.550 -0.529 0.000 0.280 528 Y C 2.320 178.126 175.900 -0.157 0.000 1.148 528 Y CA 2.575 60.666 58.100 -0.016 0.000 1.125 528 Y CB -0.606 37.900 38.460 0.077 0.000 0.975 528 Y HN 0.419 nan 8.280 nan 0.000 0.492 529 E N 0.299 120.489 120.200 -0.017 0.000 2.114 529 E HA -0.301 3.736 4.350 -0.523 0.000 0.199 529 E C 0.615 177.002 176.600 -0.356 0.000 1.008 529 E CA 1.768 58.069 56.400 -0.165 0.000 0.810 529 E CB -0.395 29.306 29.700 0.001 0.000 0.739 529 E HN 0.780 nan 8.360 nan 0.000 0.456 530 N N -1.032 117.546 118.700 -0.204 0.000 2.321 530 N HA 0.081 4.507 4.740 -0.523 0.000 0.242 530 N C -0.743 174.816 175.510 0.081 0.000 1.141 530 N CA -0.118 52.889 53.050 -0.072 0.000 0.864 530 N CB -0.132 38.385 38.487 0.049 0.000 1.100 530 N HN 0.130 nan 8.380 nan 0.000 0.510 531 F N -1.766 118.166 119.950 -0.031 0.000 3.057 531 F HA -0.198 4.013 4.527 -0.527 0.000 0.287 531 F C 1.183 177.126 175.800 0.237 0.000 0.834 531 F CA 0.438 58.476 58.000 0.063 0.000 1.147 531 F CB -1.805 37.223 39.000 0.046 0.000 1.245 531 F HN 0.319 nan 8.300 nan 0.000 0.509 532 G N 0.308 109.221 108.800 0.188 0.000 2.588 532 G HA2 0.750 4.396 3.960 -0.523 0.000 0.281 532 G HA3 0.750 4.396 3.960 -0.523 0.000 0.281 532 G C -0.136 174.803 174.900 0.066 0.000 1.236 532 G CA -0.375 44.772 45.100 0.079 0.000 0.969 532 G HN 0.460 nan 8.290 nan 0.000 0.504 533 R N -1.208 119.227 120.500 -0.109 0.000 2.692 533 R HA 0.537 4.563 4.340 -0.523 0.000 0.269 533 R C -1.224 175.039 176.300 -0.061 0.000 1.030 533 R CA -1.113 54.915 56.100 -0.121 0.000 0.882 533 R CB 1.517 31.524 30.300 -0.488 0.000 1.250 533 R HN 0.663 nan 8.270 nan 0.000 0.465 534 K N 0.786 121.192 120.400 0.009 0.000 2.259 534 K HA 0.464 4.470 4.320 -0.523 0.000 0.249 534 K C -0.850 175.692 176.600 -0.096 0.000 0.942 534 K CA -0.808 55.469 56.287 -0.016 0.000 0.816 534 K CB 2.210 34.676 32.500 -0.058 0.000 1.155 534 K HN 0.474 nan 8.250 nan 0.000 0.428 535 S N 2.082 117.576 115.700 -0.342 0.000 2.549 535 S HA 0.163 4.320 4.470 -0.523 0.000 0.283 535 S C -0.054 173.875 174.600 -1.119 0.000 1.320 535 S CA -0.588 57.057 58.200 -0.925 0.000 1.058 535 S CB 0.079 62.430 63.200 -1.416 0.000 0.882 535 S HN 0.401 nan 8.310 nan 0.000 0.498 536 L N 3.279 123.925 121.223 -0.960 0.000 2.275 536 L HA 0.426 4.452 4.340 -0.523 0.000 0.288 536 L C -0.697 175.748 176.870 -0.709 0.000 1.046 536 L CA -0.450 53.986 54.840 -0.674 0.000 0.805 536 L CB 0.745 42.598 42.059 -0.344 0.000 1.193 536 L HN 0.702 nan 8.230 nan 0.000 0.426 537 W N 4.212 125.420 121.300 -0.153 0.000 2.449 537 W HA 0.391 4.740 4.660 -0.518 0.000 0.331 537 W C 0.468 176.954 176.519 -0.056 0.000 1.119 537 W CA -0.675 56.594 57.345 -0.126 0.000 1.240 537 W CB 1.377 30.765 29.460 -0.120 0.000 1.251 537 W HN 0.364 nan 8.180 nan 0.000 0.576 538 L N 1.563 122.924 121.223 0.231 0.000 2.638 538 L HA 0.223 4.249 4.340 -0.523 0.000 0.195 538 L C 1.347 178.285 176.870 0.114 0.000 1.065 538 L CA 0.909 55.848 54.840 0.165 0.000 0.859 538 L CB -0.579 41.542 42.059 0.103 0.000 1.269 538 L HN 0.362 nan 8.230 nan 0.000 0.484 539 T N -2.090 112.514 114.554 0.083 0.000 2.898 539 T HA 0.103 4.139 4.350 -0.523 0.000 0.301 539 T C 1.032 175.687 174.700 -0.075 0.000 1.049 539 T CA -0.182 61.921 62.100 0.004 0.000 1.095 539 T CB 0.751 69.635 68.868 0.026 0.000 0.976 539 T HN 0.258 nan 8.240 nan 0.000 0.539 540 K N 0.524 120.860 120.400 -0.108 0.000 2.063 540 K HA -0.199 3.807 4.320 -0.523 0.000 0.208 540 K C 2.452 178.992 176.600 -0.100 0.000 1.048 540 K CA 1.691 57.903 56.287 -0.126 0.000 0.928 540 K CB -0.191 32.251 32.500 -0.096 0.000 0.713 540 K HN 0.789 nan 8.250 nan 0.000 0.442 541 Q N 1.062 120.816 119.800 -0.077 0.000 2.050 541 Q HA -0.209 3.817 4.340 -0.523 0.000 0.202 541 Q C 1.292 177.213 176.000 -0.132 0.000 0.980 541 Q CA 1.791 57.541 55.803 -0.088 0.000 0.840 541 Q CB 0.080 28.781 28.738 -0.062 0.000 0.898 541 Q HN 0.224 nan 8.270 nan 0.000 0.424 542 D N -0.265 120.059 120.400 -0.126 0.000 2.117 542 D HA -0.118 4.209 4.640 -0.523 0.000 0.198 542 D C 2.020 178.123 176.300 -0.328 0.000 0.982 542 D CA 1.007 54.859 54.000 -0.246 0.000 0.828 542 D CB -0.085 40.628 40.800 -0.144 0.000 0.967 542 D HN 0.132 nan 8.370 nan 0.000 0.464 543 V N 1.253 121.059 119.914 -0.180 0.000 2.295 543 V HA -0.172 3.635 4.120 -0.523 0.000 0.246 543 V C 2.485 178.494 176.094 -0.140 0.000 1.049 543 V CA 1.437 63.657 62.300 -0.133 0.000 1.024 543 V CB -0.278 31.504 31.823 -0.068 0.000 0.648 543 V HN 0.162 nan 8.190 nan 0.000 0.447 544 E N 0.167 120.284 120.200 -0.138 0.000 2.110 544 E HA -0.178 3.858 4.350 -0.523 0.000 0.193 544 E C 2.277 178.769 176.600 -0.180 0.000 0.988 544 E CA 1.429 57.753 56.400 -0.126 0.000 0.804 544 E CB -0.185 29.453 29.700 -0.104 0.000 0.745 544 E HN 0.540 nan 8.360 nan 0.000 0.458 545 A N -0.060 122.604 122.820 -0.260 0.000 2.067 545 A HA -0.148 3.859 4.320 -0.523 0.000 0.219 545 A C 1.057 178.258 177.584 -0.639 0.000 1.158 545 A CA 1.262 53.048 52.037 -0.418 0.000 0.661 545 A CB -0.460 18.247 19.000 -0.487 0.000 0.801 545 A HN 0.241 nan 8.150 nan 0.000 0.452 546 H N -1.388 117.466 119.070 -0.360 0.000 2.581 546 H HA 0.251 4.494 4.556 -0.521 0.000 0.275 546 H C 0.208 175.458 175.328 -0.130 0.000 1.126 546 H CA -0.253 55.625 56.048 -0.283 0.000 1.097 546 H CB 0.198 29.642 29.762 -0.530 0.000 1.626 546 H HN 0.346 nan 8.280 nan 0.000 0.565 547 K N 1.659 122.022 120.400 -0.060 0.000 2.416 547 K HA -0.042 3.964 4.320 -0.523 0.000 0.283 547 K C 0.933 177.536 176.600 0.005 0.000 1.037 547 K CA 0.147 56.423 56.287 -0.019 0.000 0.995 547 K CB 0.753 33.228 32.500 -0.042 0.000 0.938 547 K HN 0.434 nan 8.250 nan 0.000 0.475 548 E N 2.426 122.648 120.200 0.036 0.000 2.290 548 E HA -0.014 4.022 4.350 -0.523 0.000 0.197 548 E C -0.552 176.074 176.600 0.044 0.000 0.948 548 E CA 0.199 56.632 56.400 0.055 0.000 0.895 548 E CB 0.447 30.209 29.700 0.104 0.000 0.865 548 E HN 0.685 nan 8.360 nan 0.000 0.486 549 S N -0.516 115.207 115.700 0.037 0.000 2.615 549 S HA 0.376 4.533 4.470 -0.523 0.000 0.269 549 S C -1.209 173.403 174.600 0.019 0.000 1.161 549 S CA -0.988 57.229 58.200 0.029 0.000 0.817 549 S CB 1.793 65.017 63.200 0.040 0.000 1.131 549 S HN 0.218 nan 8.310 nan 0.000 0.467 550 Q N 0.170 119.979 119.800 0.014 0.000 2.472 550 Q HA 0.687 4.713 4.340 -0.523 0.000 0.281 550 Q C -1.942 174.063 176.000 0.009 0.000 0.997 550 Q CA -0.690 55.119 55.803 0.010 0.000 0.828 550 Q CB 2.050 30.791 28.738 0.005 0.000 1.443 550 Q HN 0.860 nan 8.270 nan 0.000 0.390 551 E N 1.694 121.898 120.200 0.006 0.000 2.304 551 E HA 0.515 4.552 4.350 -0.523 0.000 0.277 551 E C -1.833 174.764 176.600 -0.005 0.000 0.898 551 E CA -0.759 55.643 56.400 0.004 0.000 0.764 551 E CB 2.501 32.201 29.700 0.000 0.000 1.216 551 E HN 0.483 nan 8.360 nan 0.000 0.419 552 V N 5.468 125.381 119.914 -0.002 0.000 2.448 552 V HA 0.472 4.278 4.120 -0.523 0.000 0.295 552 V C -0.190 175.874 176.094 -0.049 0.000 1.025 552 V CA -0.628 61.652 62.300 -0.033 0.000 0.859 552 V CB 1.297 33.123 31.823 0.006 0.000 0.988 552 V HN 0.615 nan 8.190 nan 0.000 0.431 553 L N 4.152 125.287 121.223 -0.148 0.000 2.330 553 L HA 0.680 4.706 4.340 -0.523 0.000 0.271 553 L C -0.999 175.649 176.870 -0.371 0.000 1.013 553 L CA -0.816 53.948 54.840 -0.127 0.000 0.816 553 L CB 1.902 43.917 42.059 -0.075 0.000 1.287 553 L HN 0.640 nan 8.230 nan 0.000 0.435 554 H N 0.512 119.587 119.070 0.008 0.000 2.970 554 H HA 0.542 4.785 4.556 -0.522 0.000 0.315 554 H C -1.183 174.150 175.328 0.008 0.000 0.992 554 H CA -0.396 55.657 56.048 0.009 0.000 1.363 554 H CB 1.772 31.539 29.762 0.008 0.000 1.532 554 H HN 0.166 nan 8.280 nan 0.000 0.514 555 V N 2.837 122.783 119.914 0.053 0.000 2.540 555 V HA 0.264 4.070 4.120 -0.523 0.000 0.302 555 V C -0.287 175.830 176.094 0.039 0.000 1.035 555 V CA -0.984 61.338 62.300 0.038 0.000 0.873 555 V CB 1.906 33.734 31.823 0.008 0.000 0.992 555 V HN 0.596 nan 8.190 nan 0.000 0.428 556 Q N 4.126 123.947 119.800 0.036 0.000 2.331 556 Q HA 0.401 4.428 4.340 -0.523 0.000 0.257 556 Q C -0.006 176.006 176.000 0.020 0.000 0.957 556 Q CA -0.019 55.802 55.803 0.030 0.000 0.923 556 Q CB 0.827 29.582 28.738 0.028 0.000 1.212 556 Q HN 0.733 nan 8.270 nan 0.000 0.443 557 R N 0.000 120.511 120.500 0.019 0.000 2.786 557 R HA 0.000 4.026 4.340 -0.523 0.000 0.208 557 R CA 0.000 56.108 56.100 0.014 0.000 0.921 557 R CB 0.000 30.309 30.300 0.014 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535