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 2bbd_1_C DATA FIRST_RESID 2 DATA SEQUENCE GEIYTETLQQ TYAWTAGTNI PIKIPRNNFI RKIRVQLIGS ISNSGTAAVT DATA SEQUENCE LPSAPFPYNL VQTFNLSYEG SKTLYSVSGT GLGILXYYTT KGQNPAYPAP DATA SEQUENCE GTSVPASGSV NLNVXWEFDL ARFPATXVQN IILSILTGQA PSGVSINASF DATA SEQUENCE YITITYERVT AQEILSEGGL GADGEXPLAT VLPKVIEIPT FNVPASSAPI DATA SEQUENCE HVAYLQPGQI YKRQLVYVIN STSGINNTDP TEYELKIVRG VPTDKIKVSW DATA SEQUENCE AALQAENQAE YQVAPYSGAS AIIDFRKYFN GDLDLTHAPS DSIEYDLALQ DATA SEQUENCE NQDNVYSLYV SYVLPYYDQL AAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2 G C 0.000 174.926 174.900 0.043 0.000 0.946 2 G CA 0.000 45.102 45.100 0.003 0.000 0.502 3 E N -0.824 119.412 120.200 0.060 0.000 2.343 3 E HA 0.580 4.930 4.350 -0.000 0.000 0.269 3 E C -0.594 176.112 176.600 0.175 0.000 1.047 3 E CA -0.601 55.854 56.400 0.091 0.000 0.874 3 E CB 1.670 31.410 29.700 0.066 0.000 1.033 3 E HN 0.371 nan 8.360 nan 0.000 0.409 4 I N 3.490 124.163 120.570 0.172 0.000 2.339 4 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 4 I C -0.911 175.363 176.117 0.262 0.000 0.994 4 I CA -1.062 60.356 61.300 0.197 0.000 1.191 4 I CB 0.377 38.443 38.000 0.109 0.000 1.343 4 I HN 0.566 nan 8.210 nan 0.000 0.458 5 Y N 3.409 123.779 120.300 0.115 0.000 2.570 5 Y HA 0.817 5.367 4.550 -0.000 0.000 0.345 5 Y C -0.102 175.893 175.900 0.159 0.000 1.014 5 Y CA -1.439 56.729 58.100 0.114 0.000 1.063 5 Y CB 0.893 39.411 38.460 0.098 0.000 1.272 5 Y HN 0.547 nan 8.280 nan 0.000 0.477 6 T N -0.689 113.948 114.554 0.138 0.000 2.943 6 T HA 0.647 4.997 4.350 -0.000 0.000 0.284 6 T C -0.916 173.876 174.700 0.154 0.000 1.015 6 T CA -0.674 61.458 62.100 0.053 0.000 1.042 6 T CB 1.956 70.865 68.868 0.068 0.000 1.055 6 T HN 0.915 nan 8.240 nan 0.000 0.500 7 E N 0.593 120.871 120.200 0.131 0.000 2.349 7 E HA 0.311 4.661 4.350 -0.000 0.000 0.290 7 E C -1.445 175.251 176.600 0.160 0.000 0.901 7 E CA -0.585 55.940 56.400 0.209 0.000 0.800 7 E CB 1.560 31.468 29.700 0.347 0.000 1.303 7 E HN 0.730 nan 8.360 nan 0.000 0.397 8 T N 4.790 119.434 114.554 0.151 0.000 2.743 8 T HA 0.301 4.651 4.350 -0.000 0.000 0.293 8 T C 0.576 175.367 174.700 0.152 0.000 0.945 8 T CA -0.469 61.721 62.100 0.150 0.000 1.030 8 T CB 0.247 69.209 68.868 0.158 0.000 0.912 8 T HN 0.377 nan 8.240 nan 0.000 0.483 9 L N 3.155 124.468 121.223 0.150 0.000 2.506 9 L HA 0.033 4.373 4.340 -0.000 0.000 0.281 9 L C 2.031 178.964 176.870 0.103 0.000 1.228 9 L CA 0.019 54.939 54.840 0.134 0.000 0.850 9 L CB 0.315 42.463 42.059 0.148 0.000 1.110 9 L HN 0.770 nan 8.230 nan 0.000 0.496 10 Q N 0.725 120.568 119.800 0.073 0.000 2.245 10 Q HA -0.054 4.286 4.340 -0.000 0.000 0.201 10 Q C 0.390 176.375 176.000 -0.025 0.000 0.955 10 Q CA 0.743 56.570 55.803 0.040 0.000 0.870 10 Q CB 0.403 29.163 28.738 0.036 0.000 0.945 10 Q HN 0.488 nan 8.270 nan 0.000 0.461 11 Q N 1.577 121.346 119.800 -0.052 0.000 2.296 11 Q HA 0.100 4.440 4.340 -0.000 0.000 0.262 11 Q C -0.623 175.153 176.000 -0.374 0.000 0.981 11 Q CA 0.302 55.969 55.803 -0.225 0.000 0.905 11 Q CB 1.395 30.023 28.738 -0.183 0.000 1.186 11 Q HN 0.304 nan 8.270 nan 0.000 0.399 12 T N 0.147 114.376 114.554 -0.541 0.000 2.918 12 T HA 0.636 4.986 4.350 -0.000 0.000 0.286 12 T C -0.681 173.589 174.700 -0.717 0.000 1.026 12 T CA -0.616 61.143 62.100 -0.568 0.000 1.031 12 T CB 0.797 69.261 68.868 -0.674 0.000 1.046 12 T HN 0.330 nan 8.240 nan 0.000 0.479 13 Y N 0.637 120.932 120.300 -0.008 0.000 2.338 13 Y HA 0.598 5.148 4.550 0.000 0.000 0.328 13 Y C 0.638 176.676 175.900 0.230 0.000 0.965 13 Y CA -1.143 57.036 58.100 0.132 0.000 1.208 13 Y CB 1.270 39.838 38.460 0.179 0.000 1.132 13 Y HN 1.065 nan 8.280 nan 0.000 0.469 14 A N 3.412 126.363 122.820 0.218 0.000 2.520 14 A HA 0.049 4.369 4.320 -0.000 0.000 0.245 14 A C -0.690 177.088 177.584 0.323 0.000 1.072 14 A CA -0.318 51.848 52.037 0.214 0.000 0.761 14 A CB 0.117 19.196 19.000 0.132 0.000 1.004 14 A HN 0.907 nan 8.150 nan 0.000 0.499 15 W N 3.318 124.687 121.300 0.114 0.000 2.266 15 W HA 0.464 5.124 4.660 -0.000 0.000 0.317 15 W C 0.282 176.871 176.519 0.117 0.000 1.310 15 W CA 0.928 58.359 57.345 0.143 0.000 1.207 15 W CB 0.994 30.441 29.460 -0.021 0.000 1.199 15 W HN 0.867 nan 8.180 nan 0.000 0.544 16 T N 2.980 117.344 114.554 -0.316 0.000 2.916 16 T HA 0.700 5.050 4.350 -0.000 0.000 0.305 16 T C -0.274 173.859 174.700 -0.944 0.000 1.119 16 T CA -0.997 60.912 62.100 -0.319 0.000 1.008 16 T CB 1.162 69.962 68.868 -0.114 0.000 1.129 16 T HN 0.740 nan 8.240 nan 0.000 0.480 17 A N 1.107 123.529 122.820 -0.664 0.000 2.466 17 A HA 0.589 4.909 4.320 -0.000 0.000 0.238 17 A C 1.519 178.902 177.584 -0.336 0.000 1.074 17 A CA 0.213 51.926 52.037 -0.541 0.000 0.774 17 A CB -1.152 17.805 19.000 -0.072 0.000 1.015 17 A HN 2.521 nan 8.150 nan 0.000 0.498 18 G N 1.723 110.372 108.800 -0.252 0.000 2.357 18 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.282 18 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.282 18 G C 0.186 174.983 174.900 -0.172 0.000 0.910 18 G CA 0.797 45.801 45.100 -0.160 0.000 1.267 18 G HN 1.268 nan 8.290 nan 0.000 0.476 19 T N 0.048 114.466 114.554 -0.227 0.000 2.881 19 T HA 0.416 4.766 4.350 -0.000 0.000 0.290 19 T C -0.172 174.418 174.700 -0.183 0.000 1.000 19 T CA -0.755 61.234 62.100 -0.185 0.000 0.978 19 T CB 1.651 70.401 68.868 -0.198 0.000 0.997 19 T HN 0.436 nan 8.240 nan 0.000 0.443 20 N N 2.648 121.263 118.700 -0.142 0.000 2.419 20 N HA 0.375 5.115 4.740 -0.000 0.000 0.264 20 N C -0.886 174.533 175.510 -0.153 0.000 1.031 20 N CA -0.453 52.506 53.050 -0.152 0.000 0.951 20 N CB 0.234 38.651 38.487 -0.116 0.000 1.101 20 N HN 0.534 nan 8.380 nan 0.000 0.488 21 I N 5.547 125.991 120.570 -0.210 0.000 2.371 21 I HA 0.319 4.489 4.170 -0.000 0.000 0.282 21 I C -2.138 173.800 176.117 -0.298 0.000 1.031 21 I CA -1.936 59.223 61.300 -0.235 0.000 1.180 21 I CB 1.608 39.432 38.000 -0.294 0.000 1.336 21 I HN 0.366 nan 8.210 nan 0.000 0.467 22 P HA 0.345 nan 4.420 nan 0.000 0.291 22 P C -0.600 176.541 177.300 -0.265 0.000 1.340 22 P CA -0.090 62.884 63.100 -0.210 0.000 0.799 22 P CB 1.013 32.640 31.700 -0.122 0.000 0.917 23 I N 4.010 124.377 120.570 -0.338 0.000 2.339 23 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 23 I C 0.785 176.807 176.117 -0.159 0.000 0.994 23 I CA -0.823 60.270 61.300 -0.345 0.000 1.191 23 I CB 1.509 39.184 38.000 -0.541 0.000 1.343 23 I HN 0.051 nan 8.210 nan 0.000 0.458 24 K N 6.524 126.890 120.400 -0.055 0.000 2.349 24 K HA 0.348 4.668 4.320 -0.000 0.000 0.289 24 K C -0.530 176.074 176.600 0.006 0.000 1.064 24 K CA -0.439 55.840 56.287 -0.014 0.000 0.947 24 K CB 0.883 33.398 32.500 0.025 0.000 1.007 24 K HN 0.409 nan 8.250 nan 0.000 0.478 25 I N 6.078 126.642 120.570 -0.010 0.000 2.337 25 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 25 I C -2.067 174.097 176.117 0.079 0.000 1.046 25 I CA -2.967 58.338 61.300 0.008 0.000 1.324 25 I CB 0.355 38.322 38.000 -0.055 0.000 1.409 25 I HN 0.273 nan 8.210 nan 0.000 0.494 26 P HA 0.166 nan 4.420 nan 0.000 0.267 26 P C -0.139 177.302 177.300 0.235 0.000 1.205 26 P CA -0.149 63.052 63.100 0.168 0.000 0.765 26 P CB 0.373 32.184 31.700 0.186 0.000 0.828 27 R N 2.695 123.298 120.500 0.173 0.000 4.031 27 R HA 0.152 4.492 4.340 -0.000 0.000 0.269 27 R C 0.954 177.347 176.300 0.154 0.000 1.668 27 R CA -0.170 56.043 56.100 0.190 0.000 1.432 27 R CB -0.517 29.859 30.300 0.127 0.000 1.374 27 R HN 0.383 nan 8.270 nan 0.000 0.681 28 N N 0.732 119.494 118.700 0.104 0.000 2.166 28 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 28 N C 0.012 175.508 175.510 -0.024 0.000 1.019 28 N CA 1.264 54.265 53.050 -0.081 0.000 0.856 28 N CB 0.081 38.338 38.487 -0.383 0.000 0.993 28 N HN 0.358 nan 8.380 nan 0.000 0.426 29 N N -2.436 116.328 118.700 0.107 0.000 3.277 29 N HA 0.282 5.022 4.740 -0.000 0.000 0.278 29 N C -1.240 174.582 175.510 0.520 0.000 1.544 29 N CA -0.694 52.525 53.050 0.281 0.000 0.869 29 N CB 1.271 39.904 38.487 0.244 0.000 1.584 29 N HN -0.180 nan 8.380 nan 0.000 0.564 30 F N 0.988 121.041 119.950 0.173 0.000 2.545 30 F HA 0.254 4.780 4.527 -0.000 0.000 0.348 30 F C 0.368 176.277 175.800 0.181 0.000 1.163 30 F CA 0.024 58.098 58.000 0.123 0.000 1.331 30 F CB 0.447 39.484 39.000 0.063 0.000 1.138 30 F HN 0.061 nan 8.300 nan 0.000 0.602 31 I N 3.452 124.165 120.570 0.237 0.000 2.433 31 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 31 I C 0.589 176.746 176.117 0.066 0.000 1.001 31 I CA -0.769 60.569 61.300 0.063 0.000 1.119 31 I CB 1.928 39.915 38.000 -0.022 0.000 1.289 31 I HN 0.619 nan 8.210 nan 0.000 0.438 32 R N 4.262 124.759 120.500 -0.004 0.000 2.087 32 R HA 0.170 4.510 4.340 -0.000 0.000 0.216 32 R C 0.145 176.438 176.300 -0.010 0.000 1.114 32 R CA 0.776 56.888 56.100 0.020 0.000 1.002 32 R CB 0.023 30.331 30.300 0.014 0.000 0.903 32 R HN 0.663 nan 8.270 nan 0.000 0.445 33 K N -0.467 119.891 120.400 -0.071 0.000 2.607 33 K HA 0.423 4.743 4.320 -0.000 0.000 0.287 33 K C -1.369 175.163 176.600 -0.114 0.000 0.996 33 K CA -0.654 55.596 56.287 -0.062 0.000 0.876 33 K CB 1.308 33.794 32.500 -0.025 0.000 1.496 33 K HN -0.126 nan 8.250 nan 0.000 0.415 34 I N 1.446 121.970 120.570 -0.077 0.000 2.436 34 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 34 I C -0.617 175.530 176.117 0.051 0.000 1.010 34 I CA -0.896 60.348 61.300 -0.092 0.000 1.098 34 I CB 2.068 39.922 38.000 -0.242 0.000 1.266 34 I HN 0.591 nan 8.210 nan 0.000 0.434 35 R N 5.738 126.264 120.500 0.043 0.000 2.514 35 R HA 0.757 5.097 4.340 -0.000 0.000 0.301 35 R C -1.838 174.561 176.300 0.165 0.000 0.962 35 R CA -0.454 55.711 56.100 0.108 0.000 0.882 35 R CB 1.890 32.236 30.300 0.077 0.000 1.143 35 R HN 0.459 nan 8.270 nan 0.000 0.452 36 V N 4.710 124.781 119.914 0.261 0.000 2.487 36 V HA 0.331 4.451 4.120 -0.000 0.000 0.298 36 V C -0.686 175.712 176.094 0.507 0.000 1.028 36 V CA -0.665 61.864 62.300 0.381 0.000 0.860 36 V CB 1.767 33.812 31.823 0.370 0.000 0.991 36 V HN 0.808 nan 8.190 nan 0.000 0.427 37 Q N 3.752 123.855 119.800 0.504 0.000 2.310 37 Q HA 0.556 4.896 4.340 -0.000 0.000 0.270 37 Q C -1.299 174.994 176.000 0.488 0.000 1.025 37 Q CA -0.798 55.256 55.803 0.417 0.000 0.772 37 Q CB 2.914 31.798 28.738 0.245 0.000 1.253 37 Q HN 0.596 nan 8.270 nan 0.000 0.450 38 L N 5.354 126.805 121.223 0.380 0.000 2.264 38 L HA 0.541 4.881 4.340 -0.000 0.000 0.287 38 L C -1.267 175.634 176.870 0.053 0.000 1.039 38 L CA -0.488 54.438 54.840 0.144 0.000 0.829 38 L CB 0.663 42.809 42.059 0.144 0.000 1.211 38 L HN 0.582 nan 8.230 nan 0.000 0.427 39 I N 2.870 123.484 120.570 0.073 0.000 2.647 39 I HA 1.095 5.265 4.170 -0.000 0.000 0.295 39 I C 0.051 176.175 176.117 0.012 0.000 1.078 39 I CA 0.153 61.452 61.300 -0.001 0.000 1.048 39 I CB 1.838 39.785 38.000 -0.088 0.000 1.239 39 I HN 0.681 nan 8.210 nan 0.000 0.421 40 G N 3.171 111.951 108.800 -0.032 0.000 2.491 40 G HA2 0.516 4.476 3.960 -0.000 0.000 0.183 40 G HA3 0.516 4.476 3.960 -0.000 0.000 0.183 40 G C -1.268 173.605 174.900 -0.046 0.000 1.221 40 G CA -0.112 44.975 45.100 -0.022 0.000 0.996 40 G HN 1.495 nan 8.290 nan 0.000 0.474 41 S N -1.047 114.626 115.700 -0.046 0.000 2.564 41 S HA 0.788 5.258 4.470 -0.000 0.000 0.274 41 S C -1.040 173.528 174.600 -0.054 0.000 1.124 41 S CA -0.766 57.406 58.200 -0.046 0.000 0.869 41 S CB 1.996 65.178 63.200 -0.030 0.000 1.105 41 S HN 0.856 nan 8.310 nan 0.000 0.472 42 I N 2.334 122.880 120.570 -0.040 0.000 2.355 42 I HA 0.366 4.536 4.170 -0.000 0.000 0.288 42 I C -0.139 175.967 176.117 -0.018 0.000 0.999 42 I CA -0.335 60.944 61.300 -0.034 0.000 1.163 42 I CB 1.747 39.748 38.000 0.002 0.000 1.316 42 I HN 0.613 nan 8.210 nan 0.000 0.454 43 S N 5.525 121.216 115.700 -0.015 0.000 2.617 43 S HA 0.344 4.814 4.470 -0.000 0.000 0.283 43 S C -0.199 174.398 174.600 -0.006 0.000 1.189 43 S CA -0.752 57.443 58.200 -0.007 0.000 1.036 43 S CB 1.365 64.565 63.200 0.000 0.000 1.014 43 S HN 0.701 nan 8.310 nan 0.000 0.522 44 N N 0.628 119.324 118.700 -0.007 0.000 2.664 44 N HA 0.133 4.873 4.740 -0.000 0.000 0.257 44 N C -0.085 175.423 175.510 -0.004 0.000 1.108 44 N CA -0.240 52.805 53.050 -0.008 0.000 0.822 44 N CB 0.555 39.034 38.487 -0.015 0.000 1.199 44 N HN 0.533 nan 8.380 nan 0.000 0.529 45 S N 1.074 116.774 115.700 0.000 0.000 2.685 45 S HA 0.247 4.717 4.470 -0.000 0.000 0.240 45 S C 0.721 175.322 174.600 0.001 0.000 0.967 45 S CA -0.673 57.528 58.200 0.002 0.000 1.009 45 S CB 0.254 63.458 63.200 0.007 0.000 0.776 45 S HN 0.464 nan 8.310 nan 0.000 0.467 46 G N 0.115 108.913 108.800 -0.002 0.000 2.434 46 G HA2 0.443 4.403 3.960 -0.000 0.000 0.330 46 G HA3 0.443 4.403 3.960 -0.000 0.000 0.330 46 G C 0.586 175.483 174.900 -0.005 0.000 1.155 46 G CA -0.552 44.546 45.100 -0.003 0.000 0.917 46 G HN 0.201 nan 8.290 nan 0.000 0.493 47 T N 0.504 115.055 114.554 -0.004 0.000 2.778 47 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 47 T C 1.209 175.905 174.700 -0.007 0.000 1.050 47 T CA 1.770 63.867 62.100 -0.005 0.000 1.137 47 T CB -0.135 68.730 68.868 -0.004 0.000 0.860 47 T HN 0.800 nan 8.240 nan 0.000 0.468 48 A N 0.206 123.021 122.820 -0.009 0.000 2.356 48 A HA 0.822 5.142 4.320 -0.000 0.000 0.323 48 A C -0.001 177.574 177.584 -0.015 0.000 1.119 48 A CA -0.687 51.343 52.037 -0.012 0.000 0.790 48 A CB 1.006 19.999 19.000 -0.012 0.000 1.273 48 A HN 0.373 nan 8.150 nan 0.000 0.452 49 A N 0.521 123.331 122.820 -0.017 0.000 2.498 49 A HA 0.504 4.824 4.320 -0.000 0.000 0.239 49 A C -0.122 177.446 177.584 -0.027 0.000 1.068 49 A CA 0.089 52.113 52.037 -0.021 0.000 0.766 49 A CB -0.117 18.871 19.000 -0.021 0.000 1.003 49 A HN 1.208 nan 8.150 nan 0.000 0.497 50 V N 2.604 122.498 119.914 -0.034 0.000 2.448 50 V HA 0.344 4.464 4.120 -0.000 0.000 0.295 50 V C 0.318 176.374 176.094 -0.063 0.000 1.025 50 V CA -0.455 61.817 62.300 -0.046 0.000 0.859 50 V CB 1.795 33.590 31.823 -0.046 0.000 0.988 50 V HN 0.949 nan 8.190 nan 0.000 0.431 51 T N 6.571 121.082 114.554 -0.072 0.000 2.780 51 T HA 0.489 4.839 4.350 -0.000 0.000 0.294 51 T C 0.135 174.745 174.700 -0.150 0.000 0.949 51 T CA -0.166 61.880 62.100 -0.091 0.000 1.074 51 T CB 0.399 69.222 68.868 -0.075 0.000 0.910 51 T HN 0.333 nan 8.240 nan 0.000 0.501 52 L N 5.700 126.798 121.223 -0.208 0.000 2.464 52 L HA 0.296 4.636 4.340 -0.000 0.000 0.264 52 L C -1.397 175.198 176.870 -0.459 0.000 1.199 52 L CA -1.991 52.598 54.840 -0.418 0.000 0.818 52 L CB 0.031 41.769 42.059 -0.534 0.000 1.102 52 L HN 0.395 nan 8.230 nan 0.000 0.473 53 P HA 0.011 nan 4.420 nan 0.000 0.271 53 P C -0.604 176.554 177.300 -0.237 0.000 1.238 53 P CA -0.340 62.534 63.100 -0.377 0.000 0.794 53 P CB 0.476 31.983 31.700 -0.321 0.000 0.959 54 S N -0.450 115.205 115.700 -0.075 0.000 2.686 54 S HA 0.577 5.047 4.470 -0.000 0.000 0.270 54 S C 0.352 175.001 174.600 0.082 0.000 1.194 54 S CA -0.653 57.543 58.200 -0.007 0.000 0.990 54 S CB 0.022 63.213 63.200 -0.015 0.000 1.029 54 S HN 0.691 nan 8.310 nan 0.000 0.560 55 A N 1.803 124.654 122.820 0.051 0.000 2.555 55 A HA 0.322 4.642 4.320 -0.000 0.000 0.233 55 A C -1.060 176.616 177.584 0.153 0.000 1.060 55 A CA -0.818 51.279 52.037 0.100 0.000 0.759 55 A CB -0.602 18.362 19.000 -0.059 0.000 0.995 55 A HN 0.783 nan 8.150 nan 0.000 0.506 56 P HA 0.017 nan 4.420 nan 0.000 0.253 56 P C 0.077 177.535 177.300 0.265 0.000 1.281 56 P CA -0.005 63.265 63.100 0.284 0.000 0.792 56 P CB -0.253 31.562 31.700 0.191 0.000 1.193 57 F N 3.958 123.951 119.950 0.072 0.000 2.553 57 F HA 0.173 4.700 4.527 0.000 0.000 0.356 57 F C -1.323 174.417 175.800 -0.101 0.000 1.142 57 F CA -2.055 55.953 58.000 0.014 0.000 1.322 57 F CB 0.461 39.458 39.000 -0.005 0.000 1.126 57 F HN -0.167 nan 8.300 nan 0.000 0.599 58 P HA -0.055 nan 4.420 nan 0.000 0.257 58 P C 0.659 177.676 177.300 -0.471 0.000 1.281 58 P CA 0.793 63.028 63.100 -1.443 0.000 0.826 58 P CB -0.173 30.637 31.700 -1.482 0.000 1.237 59 Y N 2.612 122.837 120.300 -0.125 0.000 2.293 59 Y HA -0.154 4.396 4.550 0.000 0.000 0.291 59 Y C 2.073 178.154 175.900 0.302 0.000 1.137 59 Y CA 1.580 59.785 58.100 0.176 0.000 1.202 59 Y CB -1.664 36.867 38.460 0.119 0.000 0.990 59 Y HN 0.164 nan 8.280 nan 0.000 0.537 60 N N -0.238 118.655 118.700 0.321 0.000 2.575 60 N HA -0.086 4.654 4.740 -0.000 0.000 0.192 60 N C 1.084 176.765 175.510 0.286 0.000 1.200 60 N CA 0.445 53.654 53.050 0.265 0.000 0.897 60 N CB -0.614 38.005 38.487 0.219 0.000 0.990 60 N HN 0.160 nan 8.380 nan 0.000 0.449 61 L N -0.024 121.389 121.223 0.316 0.000 2.456 61 L HA 0.118 4.458 4.340 -0.000 0.000 0.224 61 L C 0.067 177.277 176.870 0.568 0.000 1.148 61 L CA 0.435 55.517 54.840 0.404 0.000 0.825 61 L CB -0.326 41.842 42.059 0.180 0.000 0.937 61 L HN 0.082 nan 8.230 nan 0.000 0.450 62 V N -1.193 118.923 119.914 0.337 0.000 2.448 62 V HA 0.171 4.291 4.120 -0.000 0.000 0.295 62 V C 0.890 176.919 176.094 -0.109 0.000 1.025 62 V CA -0.535 61.765 62.300 -0.000 0.000 0.859 62 V CB 1.962 33.456 31.823 -0.549 0.000 0.988 62 V HN 0.210 nan 8.190 nan 0.000 0.431 63 Q N 3.161 122.875 119.800 -0.144 0.000 2.008 63 Q HA 0.016 4.356 4.340 -0.000 0.000 0.196 63 Q C 0.719 176.606 176.000 -0.188 0.000 0.973 63 Q CA 1.607 57.347 55.803 -0.104 0.000 0.826 63 Q CB 0.439 29.136 28.738 -0.070 0.000 0.894 63 Q HN 0.903 nan 8.270 nan 0.000 0.439 64 T N -2.532 111.836 114.554 -0.310 0.000 2.900 64 T HA 0.560 4.910 4.350 -0.000 0.000 0.303 64 T C -1.084 173.347 174.700 -0.448 0.000 1.142 64 T CA -0.874 61.059 62.100 -0.278 0.000 1.007 64 T CB 1.139 69.945 68.868 -0.102 0.000 1.156 64 T HN 0.037 nan 8.240 nan 0.000 0.490 65 F N 2.104 122.007 119.950 -0.079 0.000 2.482 65 F HA 0.622 5.149 4.527 -0.000 0.000 0.331 65 F C 0.407 176.199 175.800 -0.013 0.000 1.115 65 F CA -1.062 56.893 58.000 -0.075 0.000 0.955 65 F CB 1.990 41.032 39.000 0.071 0.000 1.136 65 F HN 0.691 nan 8.300 nan 0.000 0.452 66 N N 4.167 122.935 118.700 0.115 0.000 2.504 66 N HA 0.309 5.049 4.740 -0.000 0.000 0.280 66 N C -2.195 173.291 175.510 -0.040 0.000 1.052 66 N CA -0.381 52.700 53.050 0.051 0.000 0.887 66 N CB 1.713 40.199 38.487 -0.002 0.000 1.323 66 N HN 0.602 nan 8.380 nan 0.000 0.509 67 L N 3.627 124.841 121.223 -0.016 0.000 2.294 67 L HA 0.561 4.901 4.340 -0.000 0.000 0.283 67 L C -0.522 176.331 176.870 -0.027 0.000 1.015 67 L CA -0.108 54.666 54.840 -0.111 0.000 0.831 67 L CB 0.868 42.809 42.059 -0.196 0.000 1.217 67 L HN 0.611 nan 8.230 nan 0.000 0.420 68 S N 3.516 119.191 115.700 -0.040 0.000 2.685 68 S HA 0.873 5.343 4.470 -0.000 0.000 0.282 68 S C -1.060 173.589 174.600 0.081 0.000 1.159 68 S CA -0.593 57.600 58.200 -0.010 0.000 0.833 68 S CB 1.789 64.945 63.200 -0.073 0.000 1.151 68 S HN 0.681 nan 8.310 nan 0.000 0.485 69 Y N -1.951 118.324 120.300 -0.043 0.000 2.625 69 Y HA 0.727 5.277 4.550 -0.000 0.000 0.338 69 Y C -0.156 175.759 175.900 0.024 0.000 1.123 69 Y CA -1.144 56.960 58.100 0.007 0.000 1.046 69 Y CB 0.250 38.759 38.460 0.080 0.000 1.299 69 Y HN 0.865 nan 8.280 nan 0.000 0.464 70 E N 1.219 121.504 120.200 0.142 0.000 2.494 70 E HA -0.259 4.091 4.350 -0.000 0.000 0.249 70 E C 1.133 177.701 176.600 -0.054 0.000 1.184 70 E CA 1.277 57.706 56.400 0.049 0.000 0.727 70 E CB -1.446 28.305 29.700 0.084 0.000 1.281 70 E HN 1.448 nan 8.360 nan 0.000 0.405 71 G N -0.511 108.257 108.800 -0.054 0.000 5.045 71 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.229 71 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.229 71 G C 0.921 175.758 174.900 -0.106 0.000 1.440 71 G CA 0.918 45.978 45.100 -0.066 0.000 0.936 71 G HN 0.880 nan 8.290 nan 0.000 0.690 72 S N 0.789 116.404 115.700 -0.140 0.000 2.540 72 S HA 0.399 4.869 4.470 -0.000 0.000 0.218 72 S C 0.593 175.059 174.600 -0.223 0.000 0.977 72 S CA 0.419 58.532 58.200 -0.146 0.000 0.918 72 S CB 0.472 63.608 63.200 -0.106 0.000 0.806 72 S HN 0.498 nan 8.310 nan 0.000 0.496 73 K N 3.362 123.520 120.400 -0.403 0.000 2.338 73 K HA 0.298 4.618 4.320 -0.000 0.000 0.290 73 K C -0.639 175.712 176.600 -0.415 0.000 1.069 73 K CA 0.227 56.149 56.287 -0.609 0.000 0.941 73 K CB 0.467 32.014 32.500 -1.588 0.000 1.023 73 K HN 0.142 nan 8.250 nan 0.000 0.477 74 T N 4.315 118.751 114.554 -0.197 0.000 2.767 74 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 74 T C 1.577 176.268 174.700 -0.015 0.000 0.973 74 T CA -0.512 61.540 62.100 -0.079 0.000 0.996 74 T CB 0.879 69.714 68.868 -0.054 0.000 0.927 74 T HN 0.350 nan 8.240 nan 0.000 0.456 75 L N 1.883 123.133 121.223 0.046 0.000 2.349 75 L HA 0.360 4.700 4.340 -0.000 0.000 0.200 75 L C -0.275 176.600 176.870 0.008 0.000 1.064 75 L CA 0.427 55.303 54.840 0.061 0.000 0.821 75 L CB 0.219 42.338 42.059 0.101 0.000 1.027 75 L HN 0.568 nan 8.230 nan 0.000 0.476 76 Y N -1.008 119.308 120.300 0.027 0.000 2.406 76 Y HA 0.406 4.956 4.550 0.000 0.000 0.340 76 Y C -0.216 175.736 175.900 0.087 0.000 0.975 76 Y CA -0.576 57.584 58.100 0.099 0.000 1.056 76 Y CB 2.256 40.859 38.460 0.238 0.000 1.210 76 Y HN -0.270 nan 8.280 nan 0.000 0.448 77 S N 3.738 119.568 115.700 0.215 0.000 2.381 77 S HA 0.641 5.111 4.470 -0.000 0.000 0.193 77 S C -1.659 173.046 174.600 0.175 0.000 1.287 77 S CA -0.472 57.824 58.200 0.160 0.000 1.199 77 S CB -0.295 62.957 63.200 0.087 0.000 1.214 77 S HN 0.647 nan 8.310 nan 0.000 0.444 78 V N 1.701 121.751 119.914 0.228 0.000 3.114 78 V HA 0.905 5.025 4.120 -0.000 0.000 0.308 78 V C 0.049 176.241 176.094 0.162 0.000 1.168 78 V CA -0.794 61.627 62.300 0.202 0.000 1.015 78 V CB 1.429 33.397 31.823 0.242 0.000 1.050 78 V HN 0.782 nan 8.190 nan 0.000 0.433 79 S N 1.443 117.211 115.700 0.114 0.000 2.632 79 S HA 0.554 5.024 4.470 -0.000 0.000 0.267 79 S C 1.326 175.952 174.600 0.044 0.000 1.276 79 S CA 0.110 58.332 58.200 0.037 0.000 0.998 79 S CB 1.071 64.294 63.200 0.038 0.000 0.953 79 S HN 1.866 nan 8.310 nan 0.000 0.547 80 G N 0.304 109.063 108.800 -0.068 0.000 2.422 80 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.218 80 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.218 80 G C 1.155 176.232 174.900 0.294 0.000 1.140 80 G CA 1.032 46.156 45.100 0.041 0.000 0.775 80 G HN 0.718 nan 8.290 nan 0.000 0.545 81 T N 0.796 115.431 114.554 0.134 0.000 2.701 81 T HA -0.006 4.344 4.350 -0.000 0.000 0.263 81 T C 2.534 177.134 174.700 -0.167 0.000 1.040 81 T CA 1.430 63.540 62.100 0.017 0.000 1.147 81 T CB -0.550 68.304 68.868 -0.024 0.000 0.865 81 T HN 0.325 nan 8.240 nan 0.000 0.426 82 G N 1.183 109.961 108.800 -0.036 0.000 2.418 82 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 82 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 82 G C 1.541 176.413 174.900 -0.047 0.000 1.158 82 G CA 0.651 45.759 45.100 0.012 0.000 0.771 82 G HN 0.382 nan 8.290 nan 0.000 0.545 83 L N 1.446 122.679 121.223 0.018 0.000 2.056 83 L HA 0.192 4.532 4.340 -0.000 0.000 0.207 83 L C 2.841 179.633 176.870 -0.130 0.000 1.078 83 L CA 2.205 57.048 54.840 0.005 0.000 0.749 83 L CB -0.933 41.170 42.059 0.073 0.000 0.901 83 L HN 0.169 nan 8.230 nan 0.000 0.433 84 G N -0.264 108.365 108.800 -0.284 0.000 2.440 84 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 84 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 84 G C 1.633 175.904 174.900 -1.048 0.000 1.154 84 G CA 1.191 45.545 45.100 -1.243 0.000 0.767 84 G HN 0.470 nan 8.290 nan 0.000 0.552 85 I N 0.249 120.357 120.570 -0.769 0.000 2.361 85 I HA 0.007 4.177 4.170 -0.000 0.000 0.251 85 I C 1.784 177.789 176.117 -0.187 0.000 1.133 85 I CA -0.033 60.888 61.300 -0.632 0.000 1.413 85 I CB -0.177 37.408 38.000 -0.691 0.000 1.073 85 I HN 0.112 nan 8.210 nan 0.000 0.424 89 Y N 1.730 121.927 120.300 -0.172 0.000 2.263 89 Y HA -0.075 4.475 4.550 0.000 0.000 0.292 89 Y C 2.642 178.338 175.900 -0.340 0.000 1.130 89 Y CA 2.466 60.334 58.100 -0.386 0.000 1.179 89 Y CB -0.429 37.701 38.460 -0.549 0.000 0.998 89 Y HN 0.401 nan 8.280 nan 0.000 0.532 90 T N -3.848 110.663 114.554 -0.071 0.000 3.148 90 T HA -0.035 4.315 4.350 -0.000 0.000 0.253 90 T C 1.115 175.828 174.700 0.022 0.000 1.134 90 T CA 1.025 63.147 62.100 0.037 0.000 1.051 90 T CB -0.619 68.260 68.868 0.018 0.000 0.959 90 T HN 0.339 nan 8.240 nan 0.000 0.525 91 T N -1.153 113.364 114.554 -0.061 0.000 3.296 91 T HA 0.378 4.728 4.350 -0.000 0.000 0.285 91 T C 0.393 175.021 174.700 -0.120 0.000 1.014 91 T CA -0.767 61.290 62.100 -0.072 0.000 0.920 91 T CB -0.432 68.388 68.868 -0.080 0.000 1.143 91 T HN 0.379 nan 8.240 nan 0.000 0.522 92 K N 0.852 121.176 120.400 -0.128 0.000 3.048 92 K HA -0.235 4.085 4.320 -0.000 0.000 0.274 92 K C 1.145 177.558 176.600 -0.312 0.000 1.098 92 K CA 0.710 56.896 56.287 -0.167 0.000 0.807 92 K CB -1.982 30.471 32.500 -0.079 0.000 1.217 92 K HN 1.080 nan 8.250 nan 0.000 0.477 93 G N -0.280 108.219 108.800 -0.502 0.000 2.141 93 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 93 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 93 G C 0.636 175.431 174.900 -0.175 0.000 0.982 93 G CA 0.500 45.287 45.100 -0.520 0.000 0.662 93 G HN 0.272 nan 8.290 nan 0.000 0.527 94 Q N -0.002 119.713 119.800 -0.141 0.000 2.163 94 Q HA 0.081 4.421 4.340 -0.000 0.000 0.198 94 Q C 1.187 177.139 176.000 -0.079 0.000 0.954 94 Q CA 0.616 56.369 55.803 -0.083 0.000 0.851 94 Q CB -0.425 28.277 28.738 -0.061 0.000 0.928 94 Q HN 0.672 nan 8.270 nan 0.000 0.459 95 N N 2.933 121.588 118.700 -0.076 0.000 2.036 95 N HA -0.100 4.640 4.740 -0.000 0.000 0.288 95 N C -2.508 172.928 175.510 -0.124 0.000 1.293 95 N CA -0.227 52.779 53.050 -0.072 0.000 0.808 95 N CB 0.377 38.836 38.487 -0.046 0.000 1.040 95 N HN -0.101 nan 8.380 nan 0.000 0.489 96 P HA 0.154 nan 4.420 nan 0.000 0.265 96 P C -1.308 175.785 177.300 -0.345 0.000 1.222 96 P CA 0.134 63.111 63.100 -0.205 0.000 0.767 96 P CB 0.814 32.495 31.700 -0.033 0.000 0.801 97 A N 3.884 126.335 122.820 -0.615 0.000 3.409 97 A HA 0.372 4.692 4.320 -0.000 0.000 0.282 97 A C -1.198 176.002 177.584 -0.640 0.000 1.064 97 A CA -0.405 51.244 52.037 -0.648 0.000 0.889 97 A CB -0.234 18.338 19.000 -0.713 0.000 1.251 97 A HN 0.395 nan 8.150 nan 0.000 0.538 98 Y N 0.500 120.646 120.300 -0.256 0.000 2.387 98 Y HA 0.539 5.089 4.550 -0.000 0.000 0.336 98 Y C -2.399 173.376 175.900 -0.209 0.000 1.067 98 Y CA -2.435 55.555 58.100 -0.184 0.000 1.114 98 Y CB 1.491 39.875 38.460 -0.127 0.000 1.208 98 Y HN 0.330 nan 8.280 nan 0.000 0.458 99 P HA 0.232 nan 4.420 nan 0.000 0.276 99 P C -0.892 176.445 177.300 0.062 0.000 1.244 99 P CA -0.451 62.724 63.100 0.124 0.000 0.801 99 P CB 0.814 32.616 31.700 0.169 0.000 1.006 100 A N 3.450 126.304 122.820 0.057 0.000 2.386 100 A HA 0.438 4.758 4.320 -0.000 0.000 0.248 100 A C -2.191 175.455 177.584 0.103 0.000 1.082 100 A CA -1.390 50.645 52.037 -0.003 0.000 0.789 100 A CB -1.306 17.677 19.000 -0.028 0.000 1.025 100 A HN 0.413 nan 8.150 nan 0.000 0.490 101 P HA 0.226 nan 4.420 nan 0.000 0.264 101 P C 1.056 178.363 177.300 0.012 0.000 1.183 101 P CA 1.963 65.136 63.100 0.122 0.000 0.763 101 P CB 0.575 32.303 31.700 0.046 0.000 0.807 102 G N 1.508 110.280 108.800 -0.046 0.000 2.253 102 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 102 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 102 G C 0.480 175.348 174.900 -0.053 0.000 0.998 102 G CA 0.217 45.279 45.100 -0.063 0.000 0.621 102 G HN 0.621 nan 8.290 nan 0.000 0.524 103 T N 1.276 115.818 114.554 -0.021 0.000 2.939 103 T HA 0.377 4.727 4.350 -0.000 0.000 0.312 103 T C 0.633 175.312 174.700 -0.035 0.000 1.064 103 T CA 1.276 63.373 62.100 -0.005 0.000 1.136 103 T CB 1.218 70.114 68.868 0.047 0.000 1.035 103 T HN 0.829 nan 8.240 nan 0.000 0.538 104 S N 1.819 117.504 115.700 -0.026 0.000 2.489 104 S HA 0.511 4.981 4.470 -0.000 0.000 0.291 104 S C -0.558 174.027 174.600 -0.025 0.000 1.151 104 S CA -0.875 57.305 58.200 -0.034 0.000 1.082 104 S CB 0.664 63.847 63.200 -0.029 0.000 1.019 104 S HN 0.438 nan 8.310 nan 0.000 0.492 105 V N 7.696 127.591 119.914 -0.031 0.000 2.313 105 V HA 0.418 4.538 4.120 -0.000 0.000 0.278 105 V C -1.962 174.119 176.094 -0.021 0.000 1.017 105 V CA -1.942 60.344 62.300 -0.023 0.000 0.823 105 V CB 0.892 32.701 31.823 -0.024 0.000 1.010 105 V HN 0.794 nan 8.190 nan 0.000 0.443 106 P HA 0.003 nan 4.420 nan 0.000 0.267 106 P C 0.019 177.310 177.300 -0.015 0.000 1.195 106 P CA 0.178 63.268 63.100 -0.016 0.000 0.773 106 P CB 0.776 32.468 31.700 -0.015 0.000 0.837 107 A N 2.715 125.527 122.820 -0.013 0.000 2.531 107 A HA 0.155 4.475 4.320 -0.000 0.000 0.236 107 A C 1.235 178.813 177.584 -0.009 0.000 1.062 107 A CA 0.679 52.709 52.037 -0.011 0.000 0.760 107 A CB -1.144 17.851 19.000 -0.010 0.000 0.995 107 A HN 0.594 nan 8.150 nan 0.000 0.501 108 S N 0.246 115.941 115.700 -0.007 0.000 3.402 108 S HA -0.188 4.282 4.470 -0.000 0.000 0.329 108 S C 0.919 175.515 174.600 -0.007 0.000 1.194 108 S CA 1.131 59.328 58.200 -0.005 0.000 0.951 108 S CB -1.794 61.403 63.200 -0.004 0.000 0.975 108 S HN 1.740 nan 8.310 nan 0.000 0.574 109 G N -0.219 108.576 108.800 -0.009 0.000 2.641 109 G HA2 0.725 4.685 3.960 -0.000 0.000 0.239 109 G HA3 0.725 4.685 3.960 -0.000 0.000 0.239 109 G C -0.401 174.492 174.900 -0.011 0.000 1.402 109 G CA 0.169 45.262 45.100 -0.011 0.000 1.046 109 G HN 0.699 nan 8.290 nan 0.000 0.565 110 S N -2.425 113.266 115.700 -0.014 0.000 2.556 110 S HA 0.500 4.970 4.470 -0.000 0.000 0.280 110 S C -1.493 173.096 174.600 -0.019 0.000 1.141 110 S CA -0.492 57.699 58.200 -0.015 0.000 0.883 110 S CB 1.517 64.708 63.200 -0.015 0.000 1.103 110 S HN 0.695 nan 8.310 nan 0.000 0.453 111 V N 4.370 124.274 119.914 -0.018 0.000 2.789 111 V HA 0.545 4.665 4.120 -0.000 0.000 0.311 111 V C -0.360 175.718 176.094 -0.027 0.000 1.073 111 V CA -1.174 61.115 62.300 -0.018 0.000 0.921 111 V CB 2.192 34.015 31.823 0.001 0.000 1.009 111 V HN 0.880 nan 8.190 nan 0.000 0.426 112 N N 2.695 121.367 118.700 -0.046 0.000 2.483 112 N HA 0.293 5.033 4.740 -0.000 0.000 0.264 112 N C -0.759 174.729 175.510 -0.038 0.000 1.197 112 N CA -0.170 52.841 53.050 -0.064 0.000 0.927 112 N CB 1.534 39.947 38.487 -0.124 0.000 1.065 112 N HN 0.517 nan 8.380 nan 0.000 0.461 113 L N 3.107 124.300 121.223 -0.050 0.000 2.333 113 L HA 0.492 4.832 4.340 -0.000 0.000 0.280 113 L C -0.728 176.111 176.870 -0.051 0.000 1.004 113 L CA -0.357 54.445 54.840 -0.063 0.000 0.820 113 L CB 0.941 42.929 42.059 -0.119 0.000 1.247 113 L HN 0.443 nan 8.230 nan 0.000 0.416 114 N N 4.663 123.351 118.700 -0.020 0.000 2.699 114 N HA 0.424 5.164 4.740 -0.000 0.000 0.271 114 N C -1.853 173.613 175.510 -0.074 0.000 1.216 114 N CA -0.052 52.999 53.050 0.002 0.000 0.844 114 N CB 1.466 40.009 38.487 0.093 0.000 1.462 114 N HN 0.412 nan 8.380 nan 0.000 0.555 118 E N 1.126 121.202 120.200 -0.207 0.000 2.292 118 E HA 0.501 4.851 4.350 -0.000 0.000 0.272 118 E C -1.615 174.687 176.600 -0.497 0.000 0.881 118 E CA -0.853 55.431 56.400 -0.193 0.000 0.754 118 E CB 2.536 32.186 29.700 -0.083 0.000 1.201 118 E HN 0.104 nan 8.360 nan 0.000 0.425 119 F N 1.598 121.347 119.950 -0.336 0.000 2.402 119 F HA 0.200 4.727 4.527 -0.000 0.000 0.355 119 F C 0.259 175.902 175.800 -0.262 0.000 1.123 119 F CA -1.054 56.605 58.000 -0.568 0.000 1.021 119 F CB 0.977 39.412 39.000 -0.942 0.000 1.160 119 F HN 0.237 nan 8.300 nan 0.000 0.451 120 D N 3.663 124.113 120.400 0.083 0.000 2.336 120 D HA 0.199 4.839 4.640 -0.000 0.000 0.249 120 D C 0.071 176.492 176.300 0.202 0.000 1.213 120 D CA -0.045 54.030 54.000 0.125 0.000 0.870 120 D CB 1.027 41.901 40.800 0.123 0.000 1.076 120 D HN 0.392 nan 8.370 nan 0.000 0.483 121 L N 3.792 125.080 121.223 0.109 0.000 2.741 121 L HA 0.384 4.724 4.340 -0.000 0.000 0.237 121 L C 1.560 178.495 176.870 0.109 0.000 1.178 121 L CA 0.427 55.328 54.840 0.102 0.000 0.973 121 L CB -0.917 41.146 42.059 0.007 0.000 1.255 121 L HN 0.693 nan 8.230 nan 0.000 0.498 122 A N 0.447 123.318 122.820 0.084 0.000 5.150 122 A HA -0.363 3.957 4.320 -0.000 0.000 0.324 122 A C 1.094 178.729 177.584 0.086 0.000 1.862 122 A CA 1.594 53.667 52.037 0.059 0.000 0.710 122 A CB -0.865 18.164 19.000 0.047 0.000 1.367 122 A HN 0.356 nan 8.150 nan 0.000 0.380 123 R N -1.483 119.083 120.500 0.111 0.000 2.734 123 R HA 0.479 4.819 4.340 -0.000 0.000 0.268 123 R C -1.060 175.299 176.300 0.098 0.000 1.785 123 R CA -0.338 55.851 56.100 0.149 0.000 1.461 123 R CB 0.171 30.578 30.300 0.178 0.000 1.308 123 R HN 0.685 nan 8.270 nan 0.000 0.586 124 F N 5.207 125.090 119.950 -0.112 0.000 2.504 124 F HA 0.301 4.829 4.527 0.000 0.000 0.369 124 F C -1.649 173.766 175.800 -0.643 0.000 1.082 124 F CA -2.293 55.535 58.000 -0.286 0.000 1.216 124 F CB 1.010 39.875 39.000 -0.226 0.000 1.108 124 F HN 0.336 nan 8.300 nan 0.000 0.554 125 P HA 0.078 nan 4.420 nan 0.000 0.226 125 P C 0.209 176.692 177.300 -1.362 0.000 1.783 125 P CA 0.358 62.178 63.100 -2.134 0.000 0.980 125 P CB 0.058 30.963 31.700 -1.325 0.000 1.967 126 A N 2.253 124.552 122.820 -0.869 0.000 1.986 126 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 126 A C 1.419 178.932 177.584 -0.117 0.000 1.171 126 A CA 1.750 53.625 52.037 -0.269 0.000 0.640 126 A CB -1.500 17.580 19.000 0.133 0.000 0.811 126 A HN 0.475 nan 8.150 nan 0.000 0.451 130 Q N -0.330 119.558 119.800 0.145 0.000 2.433 130 Q HA 0.601 4.941 4.340 -0.000 0.000 0.279 130 Q C -0.691 175.403 176.000 0.156 0.000 1.105 130 Q CA -0.725 55.153 55.803 0.124 0.000 0.815 130 Q CB 1.859 30.655 28.738 0.095 0.000 1.403 130 Q HN 0.995 nan 8.270 nan 0.000 0.435 131 N N 1.026 119.791 118.700 0.108 0.000 2.664 131 N HA -0.221 4.519 4.740 -0.000 0.000 0.296 131 N C -1.286 174.292 175.510 0.113 0.000 1.153 131 N CA 0.457 53.562 53.050 0.091 0.000 0.765 131 N CB -0.841 37.683 38.487 0.062 0.000 0.962 131 N HN 0.367 nan 8.380 nan 0.000 0.564 132 I N 2.361 122.993 120.570 0.104 0.000 2.371 132 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 132 I C 0.541 176.659 176.117 0.001 0.000 1.028 132 I CA -0.201 61.147 61.300 0.080 0.000 1.345 132 I CB 0.606 38.635 38.000 0.048 0.000 1.407 132 I HN 0.265 nan 8.210 nan 0.000 0.501 133 I N 7.175 127.725 120.570 -0.033 0.000 2.499 133 I HA 0.260 4.430 4.170 -0.000 0.000 0.288 133 I C -0.925 175.102 176.117 -0.150 0.000 1.048 133 I CA -0.756 60.492 61.300 -0.086 0.000 1.062 133 I CB 2.310 40.271 38.000 -0.065 0.000 1.238 133 I HN 0.357 nan 8.210 nan 0.000 0.426 134 L N 6.182 127.277 121.223 -0.215 0.000 2.262 134 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 134 L C -0.400 176.314 176.870 -0.260 0.000 1.035 134 L CA 0.378 55.041 54.840 -0.295 0.000 0.820 134 L CB 1.218 43.031 42.059 -0.409 0.000 1.204 134 L HN 0.475 nan 8.230 nan 0.000 0.424 135 S N 6.494 122.075 115.700 -0.197 0.000 2.429 135 S HA 0.590 5.060 4.470 -0.000 0.000 0.302 135 S C -0.140 174.344 174.600 -0.194 0.000 1.115 135 S CA -0.353 57.731 58.200 -0.193 0.000 1.095 135 S CB 0.587 63.702 63.200 -0.141 0.000 0.987 135 S HN 0.507 nan 8.310 nan 0.000 0.474 136 I N 3.938 124.329 120.570 -0.297 0.000 2.328 136 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 136 I C -0.776 175.102 176.117 -0.398 0.000 1.012 136 I CA -0.739 60.309 61.300 -0.420 0.000 1.195 136 I CB 1.200 38.808 38.000 -0.655 0.000 1.350 136 I HN 0.362 nan 8.210 nan 0.000 0.464 137 L N 8.269 129.265 121.223 -0.378 0.000 2.264 137 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 137 L C 0.677 177.375 176.870 -0.286 0.000 1.039 137 L CA 0.061 54.736 54.840 -0.276 0.000 0.829 137 L CB 0.931 42.871 42.059 -0.199 0.000 1.211 137 L HN 0.684 nan 8.230 nan 0.000 0.427 138 T N 1.754 116.150 114.554 -0.264 0.000 2.860 138 T HA 0.617 4.967 4.350 -0.000 0.000 0.299 138 T C 0.771 175.407 174.700 -0.107 0.000 1.045 138 T CA -0.127 61.854 62.100 -0.198 0.000 1.071 138 T CB 1.007 69.553 68.868 -0.536 0.000 0.985 138 T HN 0.712 nan 8.240 nan 0.000 0.537 139 G N 0.629 109.496 108.800 0.112 0.000 2.714 139 G HA2 0.497 4.457 3.960 -0.000 0.000 0.197 139 G HA3 0.497 4.457 3.960 -0.000 0.000 0.197 139 G C -0.511 174.520 174.900 0.219 0.000 1.449 139 G CA -0.613 44.588 45.100 0.167 0.000 1.065 139 G HN 0.737 nan 8.290 nan 0.000 0.575 140 Q N -0.674 119.302 119.800 0.293 0.000 2.301 140 Q HA 0.569 4.909 4.340 -0.000 0.000 0.267 140 Q C -0.064 176.204 176.000 0.447 0.000 1.035 140 Q CA -0.738 55.248 55.803 0.305 0.000 0.856 140 Q CB 1.964 30.808 28.738 0.176 0.000 1.337 140 Q HN 0.599 nan 8.270 nan 0.000 0.450 141 A N 2.825 125.921 122.820 0.459 0.000 2.425 141 A HA 0.483 4.803 4.320 -0.000 0.000 0.249 141 A C -2.030 175.658 177.584 0.173 0.000 1.084 141 A CA -0.809 51.423 52.037 0.325 0.000 0.781 141 A CB -0.474 18.705 19.000 0.297 0.000 1.019 141 A HN 0.391 nan 8.150 nan 0.000 0.490 142 P HA 0.193 nan 4.420 nan 0.000 0.272 142 P C -0.273 177.033 177.300 0.010 0.000 1.230 142 P CA -0.174 62.939 63.100 0.021 0.000 0.788 142 P CB 0.500 32.147 31.700 -0.089 0.000 0.949 143 S N 0.774 116.466 115.700 -0.014 0.000 2.533 143 S HA 0.362 4.832 4.470 -0.000 0.000 0.282 143 S C 1.464 176.052 174.600 -0.020 0.000 1.304 143 S CA 0.686 58.882 58.200 -0.007 0.000 1.063 143 S CB -0.176 63.017 63.200 -0.013 0.000 0.881 143 S HN 0.922 nan 8.310 nan 0.000 0.493 144 G N 1.082 109.880 108.800 -0.003 0.000 2.184 144 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 144 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 144 G C 0.152 175.047 174.900 -0.007 0.000 0.975 144 G CA 0.267 45.362 45.100 -0.008 0.000 0.642 144 G HN 1.527 nan 8.290 nan 0.000 0.536 145 V N -2.055 117.857 119.914 -0.005 0.000 2.914 145 V HA 0.949 5.069 4.120 -0.000 0.000 0.314 145 V C 0.068 176.172 176.094 0.016 0.000 1.084 145 V CA -0.207 62.091 62.300 -0.004 0.000 0.963 145 V CB 1.947 33.757 31.823 -0.022 0.000 1.025 145 V HN 0.778 nan 8.190 nan 0.000 0.432 146 S N 3.411 119.119 115.700 0.014 0.000 2.565 146 S HA 0.786 5.256 4.470 -0.000 0.000 0.290 146 S C -0.400 174.198 174.600 -0.003 0.000 1.150 146 S CA -0.580 57.640 58.200 0.032 0.000 1.058 146 S CB 1.492 64.715 63.200 0.038 0.000 1.032 146 S HN 0.712 nan 8.310 nan 0.000 0.510 147 I N 2.564 123.134 120.570 -0.001 0.000 2.362 147 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 147 I C -0.419 175.699 176.117 0.001 0.000 0.994 147 I CA -0.439 60.794 61.300 -0.112 0.000 1.158 147 I CB 1.194 38.904 38.000 -0.483 0.000 1.315 147 I HN 0.543 nan 8.210 nan 0.000 0.451 148 N N 6.496 125.182 118.700 -0.023 0.000 2.696 148 N HA 0.650 5.390 4.740 -0.000 0.000 0.246 148 N C -1.066 174.451 175.510 0.012 0.000 1.057 148 N CA -0.087 52.981 53.050 0.031 0.000 0.867 148 N CB 2.058 40.562 38.487 0.028 0.000 1.141 148 N HN 0.720 nan 8.380 nan 0.000 0.517 149 A N 0.655 123.499 122.820 0.040 0.000 2.588 149 A HA 0.841 5.161 4.320 -0.000 0.000 0.290 149 A C -0.967 176.668 177.584 0.085 0.000 1.136 149 A CA -0.469 51.584 52.037 0.027 0.000 0.681 149 A CB 1.545 20.482 19.000 -0.106 0.000 1.282 149 A HN 0.259 nan 8.150 nan 0.000 0.421 150 S N -0.962 114.794 115.700 0.092 0.000 2.588 150 S HA 0.736 5.206 4.470 -0.000 0.000 0.275 150 S C -1.434 173.202 174.600 0.061 0.000 1.130 150 S CA -0.336 57.905 58.200 0.069 0.000 0.855 150 S CB 0.934 64.129 63.200 -0.010 0.000 1.116 150 S HN 0.484 nan 8.310 nan 0.000 0.472 151 F N 1.734 121.817 119.950 0.222 0.000 2.394 151 F HA 0.496 5.023 4.527 0.000 0.000 0.340 151 F C -0.492 175.373 175.800 0.108 0.000 1.105 151 F CA -0.305 57.884 58.000 0.314 0.000 1.124 151 F CB 0.658 39.862 39.000 0.340 0.000 1.145 151 F HN 0.436 nan 8.300 nan 0.000 0.505 152 Y N 3.852 124.389 120.300 0.396 0.000 2.328 152 Y HA 0.445 4.995 4.550 -0.000 0.000 0.336 152 Y C -0.331 175.725 175.900 0.260 0.000 0.960 152 Y CA -1.168 57.094 58.100 0.270 0.000 1.134 152 Y CB 0.973 39.539 38.460 0.176 0.000 1.166 152 Y HN 0.220 nan 8.280 nan 0.000 0.464 153 I N 4.028 124.783 120.570 0.308 0.000 2.312 153 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 153 I C 0.161 176.373 176.117 0.158 0.000 1.008 153 I CA -0.593 60.832 61.300 0.209 0.000 1.226 153 I CB 0.906 39.001 38.000 0.158 0.000 1.371 153 I HN 0.591 nan 8.210 nan 0.000 0.468 154 T N 5.143 119.768 114.554 0.119 0.000 2.792 154 T HA 0.770 5.120 4.350 -0.000 0.000 0.280 154 T C -0.408 174.286 174.700 -0.011 0.000 0.990 154 T CA -0.612 61.534 62.100 0.078 0.000 0.960 154 T CB 1.468 70.390 68.868 0.090 0.000 0.939 154 T HN 0.299 nan 8.240 nan 0.000 0.439 155 I N 2.777 123.303 120.570 -0.073 0.000 2.377 155 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 155 I C 0.232 176.145 176.117 -0.340 0.000 0.987 155 I CA -0.845 60.286 61.300 -0.281 0.000 1.185 155 I CB 2.046 39.743 38.000 -0.504 0.000 1.341 155 I HN 0.630 nan 8.210 nan 0.000 0.455 156 T N 5.632 119.989 114.554 -0.329 0.000 2.762 156 T HA 0.395 4.745 4.350 -0.000 0.000 0.303 156 T C -0.508 173.995 174.700 -0.330 0.000 0.977 156 T CA -0.167 61.786 62.100 -0.245 0.000 0.961 156 T CB -0.209 68.592 68.868 -0.112 0.000 0.944 156 T HN 0.182 nan 8.240 nan 0.000 0.481 157 Y N 1.665 121.727 120.300 -0.396 0.000 2.432 157 Y HA 0.525 5.075 4.550 -0.000 0.000 0.322 157 Y C 0.869 176.669 175.900 -0.166 0.000 1.246 157 Y CA -0.956 56.923 58.100 -0.368 0.000 1.268 157 Y CB 1.085 39.102 38.460 -0.738 0.000 1.276 157 Y HN 0.486 nan 8.280 nan 0.000 0.499 158 E N 1.598 121.943 120.200 0.242 0.000 2.287 158 E HA 0.244 4.594 4.350 -0.000 0.000 0.274 158 E C -1.400 175.323 176.600 0.205 0.000 0.896 158 E CA -0.899 55.634 56.400 0.223 0.000 0.788 158 E CB 1.121 30.917 29.700 0.160 0.000 1.244 158 E HN 0.626 nan 8.360 nan 0.000 0.408 159 R N 3.870 124.476 120.500 0.176 0.000 2.291 159 R HA 0.234 4.574 4.340 -0.000 0.000 0.333 159 R C -0.999 175.245 176.300 -0.094 0.000 1.082 159 R CA -0.138 55.994 56.100 0.053 0.000 0.948 159 R CB 0.423 30.750 30.300 0.044 0.000 1.009 159 R HN 0.220 nan 8.270 nan 0.000 0.460 160 V N 4.890 124.624 119.914 -0.300 0.000 2.370 160 V HA 0.211 4.331 4.120 -0.000 0.000 0.283 160 V C 0.613 176.466 176.094 -0.401 0.000 1.023 160 V CA -0.724 61.300 62.300 -0.461 0.000 0.857 160 V CB 1.415 32.639 31.823 -0.998 0.000 0.985 160 V HN 0.881 nan 8.190 nan 0.000 0.443 161 T N 2.123 116.540 114.554 -0.229 0.000 2.847 161 T HA 0.577 4.927 4.350 -0.000 0.000 0.279 161 T C 1.387 176.006 174.700 -0.134 0.000 0.984 161 T CA 0.052 62.060 62.100 -0.154 0.000 0.988 161 T CB 1.748 70.560 68.868 -0.093 0.000 1.040 161 T HN 0.694 nan 8.240 nan 0.000 0.528 162 A N 0.344 123.113 122.820 -0.085 0.000 1.940 162 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 162 A C 2.373 179.929 177.584 -0.047 0.000 1.176 162 A CA 1.986 53.990 52.037 -0.054 0.000 0.631 162 A CB -1.211 17.769 19.000 -0.033 0.000 0.814 162 A HN 0.863 nan 8.150 nan 0.000 0.446 163 Q N 0.112 119.884 119.800 -0.047 0.000 2.084 163 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 163 Q C 1.933 177.909 176.000 -0.039 0.000 0.978 163 Q CA 2.344 58.125 55.803 -0.037 0.000 0.844 163 Q CB -0.398 28.320 28.738 -0.034 0.000 0.898 163 Q HN 0.766 nan 8.270 nan 0.000 0.426 164 E N -0.591 119.575 120.200 -0.056 0.000 2.077 164 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 164 E C 1.906 178.481 176.600 -0.041 0.000 0.989 164 E CA 1.347 57.715 56.400 -0.052 0.000 0.800 164 E CB -0.204 29.449 29.700 -0.078 0.000 0.746 164 E HN 0.517 nan 8.360 nan 0.000 0.452 165 I N 0.571 121.111 120.570 -0.051 0.000 2.179 165 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 165 I C 2.486 178.597 176.117 -0.009 0.000 1.088 165 I CA 0.495 61.785 61.300 -0.016 0.000 1.357 165 I CB -0.254 37.742 38.000 -0.007 0.000 1.051 165 I HN 0.250 nan 8.210 nan 0.000 0.409 166 L N 1.040 122.252 121.223 -0.018 0.000 2.012 166 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 166 L C 2.674 179.536 176.870 -0.014 0.000 1.073 166 L CA 2.364 57.194 54.840 -0.016 0.000 0.748 166 L CB -0.761 41.287 42.059 -0.018 0.000 0.891 166 L HN 0.372 nan 8.230 nan 0.000 0.431 167 S N -2.074 113.617 115.700 -0.014 0.000 2.555 167 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 167 S C 1.368 175.966 174.600 -0.005 0.000 0.978 167 S CA 0.771 58.965 58.200 -0.010 0.000 0.934 167 S CB -0.487 62.706 63.200 -0.012 0.000 0.766 167 S HN 0.648 nan 8.310 nan 0.000 0.533 168 E N 0.294 120.494 120.200 -0.001 0.000 2.499 168 E HA 0.389 4.739 4.350 -0.000 0.000 0.199 168 E C 0.951 177.557 176.600 0.010 0.000 1.016 168 E CA 0.148 56.553 56.400 0.009 0.000 0.933 168 E CB 0.479 30.191 29.700 0.020 0.000 1.050 168 E HN 0.627 nan 8.360 nan 0.000 0.462 169 G N 0.187 108.985 108.800 -0.002 0.000 2.192 169 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.193 169 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.193 169 G C 0.726 175.611 174.900 -0.025 0.000 0.999 169 G CA -0.374 44.720 45.100 -0.011 0.000 0.659 169 G HN 0.732 nan 8.290 nan 0.000 0.503 170 G N -0.569 108.219 108.800 -0.019 0.000 2.598 170 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.244 170 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.244 170 G C 0.132 175.002 174.900 -0.050 0.000 1.302 170 G CA 0.015 45.097 45.100 -0.030 0.000 0.903 170 G HN 1.269 nan 8.290 nan 0.000 0.575 171 L N 1.048 122.223 121.223 -0.081 0.000 2.399 171 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 171 L C 1.631 178.297 176.870 -0.340 0.000 1.089 171 L CA -0.384 54.369 54.840 -0.146 0.000 0.802 171 L CB 0.803 42.808 42.059 -0.090 0.000 1.180 171 L HN 1.014 nan 8.230 nan 0.000 0.454 172 G N -0.292 108.061 108.800 -0.745 0.000 2.606 172 G HA2 0.333 4.293 3.960 -0.000 0.000 0.252 172 G HA3 0.333 4.293 3.960 -0.000 0.000 0.252 172 G C 0.962 175.507 174.900 -0.591 0.000 1.206 172 G CA 0.109 44.372 45.100 -1.396 0.000 0.861 172 G HN 0.870 nan 8.290 nan 0.000 0.561 173 A N 0.533 123.149 122.820 -0.341 0.000 1.971 173 A HA -0.222 4.098 4.320 -0.000 0.000 0.222 173 A C 1.858 179.428 177.584 -0.023 0.000 1.182 173 A CA 2.560 54.541 52.037 -0.095 0.000 0.649 173 A CB -0.541 18.460 19.000 0.001 0.000 0.818 173 A HN 0.748 nan 8.150 nan 0.000 0.458 174 D N -2.612 117.816 120.400 0.048 0.000 2.328 174 D HA 0.344 4.984 4.640 -0.000 0.000 0.221 174 D C 1.112 177.446 176.300 0.058 0.000 1.072 174 D CA 0.701 54.750 54.000 0.081 0.000 0.850 174 D CB -0.722 40.166 40.800 0.146 0.000 0.922 174 D HN 0.703 nan 8.370 nan 0.000 0.516 175 G N 0.055 108.854 108.800 -0.001 0.000 2.269 175 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.277 175 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.277 175 G C 0.083 175.013 174.900 0.049 0.000 1.008 175 G CA 0.662 45.760 45.100 -0.004 0.000 0.774 175 G HN 0.500 nan 8.290 nan 0.000 0.511 179 L N 1.589 122.828 121.223 0.026 0.000 2.081 179 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 179 L C 1.575 178.566 176.870 0.202 0.000 1.080 179 L CA 2.751 57.606 54.840 0.026 0.000 0.754 179 L CB -0.534 41.479 42.059 -0.077 0.000 0.893 179 L HN 0.614 nan 8.230 nan 0.000 0.433 180 A N -1.743 121.161 122.820 0.141 0.000 2.278 180 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 180 A C 0.973 178.640 177.584 0.138 0.000 1.213 180 A CA 0.227 52.339 52.037 0.126 0.000 0.840 180 A CB -1.072 17.980 19.000 0.086 0.000 0.866 180 A HN 0.407 nan 8.150 nan 0.000 0.489 181 T N 0.629 115.285 114.554 0.171 0.000 2.934 181 T HA 0.304 4.654 4.350 -0.000 0.000 0.306 181 T C -0.154 174.609 174.700 0.104 0.000 1.042 181 T CA 0.542 62.711 62.100 0.116 0.000 1.145 181 T CB 0.893 69.811 68.868 0.083 0.000 0.982 181 T HN 0.021 nan 8.240 nan 0.000 0.544 182 V N 5.627 125.595 119.914 0.090 0.000 2.349 182 V HA 0.323 4.443 4.120 -0.000 0.000 0.284 182 V C 0.002 176.166 176.094 0.117 0.000 1.014 182 V CA -0.703 61.660 62.300 0.105 0.000 0.826 182 V CB 1.102 32.945 31.823 0.033 0.000 1.009 182 V HN 0.709 nan 8.190 nan 0.000 0.431 183 L N 8.313 129.619 121.223 0.138 0.000 2.276 183 L HA 0.460 4.800 4.340 -0.000 0.000 0.286 183 L C -2.026 174.923 176.870 0.132 0.000 1.061 183 L CA -1.609 53.322 54.840 0.152 0.000 0.807 183 L CB 1.862 44.008 42.059 0.145 0.000 1.177 183 L HN 0.381 nan 8.230 nan 0.000 0.429 184 P HA 0.103 nan 4.420 nan 0.000 0.275 184 P C -1.098 176.167 177.300 -0.058 0.000 1.228 184 P CA -0.529 62.593 63.100 0.036 0.000 0.786 184 P CB 1.272 32.999 31.700 0.045 0.000 0.927 185 K N 2.289 122.610 120.400 -0.132 0.000 2.895 185 K HA 0.302 4.622 4.320 -0.000 0.000 0.191 185 K C -1.388 175.066 176.600 -0.244 0.000 1.117 185 K CA -0.465 55.714 56.287 -0.180 0.000 0.988 185 K CB 0.576 32.978 32.500 -0.164 0.000 1.181 185 K HN 0.144 nan 8.250 nan 0.000 0.598 186 V N 5.573 125.227 119.914 -0.432 0.000 2.304 186 V HA 0.365 4.485 4.120 -0.000 0.000 0.262 186 V C -0.116 175.876 176.094 -0.169 0.000 1.061 186 V CA -0.601 61.460 62.300 -0.398 0.000 0.872 186 V CB 0.473 31.757 31.823 -0.899 0.000 1.077 186 V HN 0.491 nan 8.190 nan 0.000 0.480 187 I N 3.652 124.217 120.570 -0.009 0.000 2.509 187 I HA 0.498 4.668 4.170 -0.000 0.000 0.293 187 I C 0.053 176.266 176.117 0.160 0.000 1.020 187 I CA -0.752 60.595 61.300 0.077 0.000 1.088 187 I CB 2.070 40.110 38.000 0.067 0.000 1.267 187 I HN 0.617 nan 8.210 nan 0.000 0.430 188 E N 6.415 126.698 120.200 0.138 0.000 2.133 188 E HA 0.574 4.924 4.350 -0.000 0.000 0.274 188 E C -1.336 175.346 176.600 0.138 0.000 0.930 188 E CA -0.453 56.024 56.400 0.128 0.000 0.770 188 E CB 1.254 31.035 29.700 0.135 0.000 1.104 188 E HN 0.485 nan 8.360 nan 0.000 0.403 189 I N 7.265 127.915 120.570 0.133 0.000 2.389 189 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 189 I C -2.155 173.948 176.117 -0.022 0.000 0.999 189 I CA -2.235 59.129 61.300 0.106 0.000 1.129 189 I CB 1.801 39.927 38.000 0.210 0.000 1.288 189 I HN 0.435 nan 8.210 nan 0.000 0.444 190 P HA 0.359 nan 4.420 nan 0.000 0.283 190 P C -0.902 176.003 177.300 -0.660 0.000 1.271 190 P CA -0.431 62.328 63.100 -0.567 0.000 0.841 190 P CB 1.794 33.043 31.700 -0.752 0.000 1.122 191 T N 1.707 115.767 114.554 -0.823 0.000 3.066 191 T HA 0.427 4.777 4.350 -0.000 0.000 0.318 191 T C -0.506 173.843 174.700 -0.585 0.000 0.979 191 T CA -0.079 61.689 62.100 -0.553 0.000 1.025 191 T CB -0.258 68.410 68.868 -0.334 0.000 1.002 191 T HN 0.088 nan 8.240 nan 0.000 0.453 192 F N 2.298 122.150 119.950 -0.163 0.000 2.371 192 F HA 0.397 4.924 4.527 0.000 0.000 0.329 192 F C 1.367 177.108 175.800 -0.098 0.000 1.107 192 F CA -1.025 56.893 58.000 -0.136 0.000 1.137 192 F CB 0.386 39.340 39.000 -0.076 0.000 1.214 192 F HN 0.489 nan 8.300 nan 0.000 0.536 193 N N -0.759 118.019 118.700 0.130 0.000 2.740 193 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 193 N C -1.083 174.423 175.510 -0.007 0.000 1.062 193 N CA 0.242 53.322 53.050 0.050 0.000 0.704 193 N CB -1.781 36.738 38.487 0.053 0.000 0.968 193 N HN 0.247 nan 8.380 nan 0.000 0.547 194 V N 2.036 121.924 119.914 -0.044 0.000 2.415 194 V HA 0.169 4.289 4.120 -0.000 0.000 0.267 194 V C -1.212 174.847 176.094 -0.058 0.000 1.042 194 V CA -0.857 61.397 62.300 -0.076 0.000 1.000 194 V CB 0.783 32.531 31.823 -0.125 0.000 1.015 194 V HN 0.128 nan 8.190 nan 0.000 0.478 195 P HA 0.165 nan 4.420 nan 0.000 0.270 195 P C -0.300 176.971 177.300 -0.049 0.000 1.223 195 P CA -0.197 62.879 63.100 -0.041 0.000 0.785 195 P CB 0.856 32.535 31.700 -0.035 0.000 0.923 196 A N 1.533 124.329 122.820 -0.040 0.000 2.462 196 A HA 0.460 4.780 4.320 -0.000 0.000 0.243 196 A C 0.416 177.976 177.584 -0.040 0.000 1.076 196 A CA 0.360 52.372 52.037 -0.042 0.000 0.773 196 A CB -0.418 18.564 19.000 -0.032 0.000 1.010 196 A HN 0.573 nan 8.150 nan 0.000 0.493 197 S N -0.491 115.183 115.700 -0.043 0.000 2.543 197 S HA 0.418 4.888 4.470 -0.000 0.000 0.274 197 S C 0.782 175.363 174.600 -0.032 0.000 1.149 197 S CA 0.119 58.297 58.200 -0.037 0.000 0.866 197 S CB 1.009 64.183 63.200 -0.044 0.000 1.111 197 S HN 1.609 nan 8.310 nan 0.000 0.457 198 S N 2.536 118.224 115.700 -0.021 0.000 2.425 198 S HA 0.402 4.872 4.470 -0.000 0.000 0.225 198 S C 0.816 175.411 174.600 -0.008 0.000 1.024 198 S CA 0.465 58.658 58.200 -0.011 0.000 0.951 198 S CB -0.238 62.960 63.200 -0.004 0.000 0.796 198 S HN 1.184 nan 8.310 nan 0.000 0.498 199 A N 2.620 125.432 122.820 -0.014 0.000 2.305 199 A HA 0.730 5.050 4.320 -0.000 0.000 0.322 199 A C -2.883 174.682 177.584 -0.031 0.000 1.187 199 A CA -2.201 49.827 52.037 -0.014 0.000 0.825 199 A CB 0.206 19.198 19.000 -0.013 0.000 1.164 199 A HN 0.213 nan 8.150 nan 0.000 0.498 200 P HA 0.125 nan 4.420 nan 0.000 0.262 200 P C -0.589 176.663 177.300 -0.079 0.000 1.182 200 P CA 0.688 63.748 63.100 -0.066 0.000 0.761 200 P CB 0.107 31.763 31.700 -0.073 0.000 0.795 201 I N -0.752 119.756 120.570 -0.103 0.000 2.646 201 I HA 0.464 4.634 4.170 -0.000 0.000 0.299 201 I C 0.220 176.252 176.117 -0.142 0.000 1.036 201 I CA -1.236 60.008 61.300 -0.094 0.000 1.074 201 I CB 1.645 39.597 38.000 -0.079 0.000 1.258 201 I HN 0.294 nan 8.210 nan 0.000 0.430 202 H N 4.447 123.379 119.070 -0.230 0.000 3.125 202 H HA 0.066 4.622 4.556 -0.000 0.000 0.310 202 H C -0.317 174.775 175.328 -0.392 0.000 0.980 202 H CA 0.804 56.653 56.048 -0.331 0.000 1.422 202 H CB 1.428 30.994 29.762 -0.326 0.000 1.432 202 H HN 0.668 nan 8.280 nan 0.000 0.577 203 V N 4.811 124.203 119.914 -0.870 0.000 2.735 203 V HA 0.332 4.452 4.120 -0.000 0.000 0.234 203 V C 0.856 176.489 176.094 -0.768 0.000 1.121 203 V CA 1.122 62.960 62.300 -0.770 0.000 1.160 203 V CB -0.170 30.959 31.823 -1.157 0.000 0.908 203 V HN 0.933 nan 8.190 nan 0.000 0.495 204 A N -1.887 120.278 122.820 -1.091 0.000 2.602 204 A HA 0.767 5.087 4.320 -0.000 0.000 0.290 204 A C -2.137 175.146 177.584 -0.501 0.000 1.114 204 A CA -0.407 51.319 52.037 -0.520 0.000 0.683 204 A CB 0.977 19.949 19.000 -0.047 0.000 1.281 204 A HN 0.156 nan 8.150 nan 0.000 0.416 205 Y N 0.187 120.484 120.300 -0.004 0.000 2.387 205 Y HA 0.531 5.081 4.550 0.000 0.000 0.336 205 Y C 0.353 176.238 175.900 -0.025 0.000 1.067 205 Y CA -0.571 57.536 58.100 0.012 0.000 1.114 205 Y CB 1.436 39.933 38.460 0.061 0.000 1.208 205 Y HN 0.501 nan 8.280 nan 0.000 0.458 206 L N 3.412 124.662 121.223 0.044 0.000 2.360 206 L HA 0.174 4.514 4.340 -0.000 0.000 0.276 206 L C 0.354 177.157 176.870 -0.111 0.000 1.121 206 L CA -0.240 54.463 54.840 -0.228 0.000 0.845 206 L CB 0.716 42.379 42.059 -0.659 0.000 1.143 206 L HN 0.614 nan 8.230 nan 0.000 0.452 207 Q N 5.382 125.153 119.800 -0.048 0.000 2.313 207 Q HA 0.232 4.572 4.340 -0.000 0.000 0.266 207 Q C -2.309 173.695 176.000 0.005 0.000 0.989 207 Q CA -1.361 54.433 55.803 -0.015 0.000 0.890 207 Q CB 1.263 29.982 28.738 -0.032 0.000 1.200 207 Q HN 0.316 nan 8.270 nan 0.000 0.396 208 P HA 0.187 nan 4.420 nan 0.000 0.275 208 P C -0.157 177.061 177.300 -0.137 0.000 1.266 208 P CA 0.485 63.535 63.100 -0.084 0.000 0.793 208 P CB 0.539 32.184 31.700 -0.092 0.000 1.074 209 G N -1.325 107.348 108.800 -0.211 0.000 2.157 209 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.248 209 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.248 209 G C -0.155 174.546 174.900 -0.331 0.000 0.979 209 G CA 0.412 45.346 45.100 -0.277 0.000 0.650 209 G HN 0.807 nan 8.290 nan 0.000 0.529 210 Q N -1.024 118.556 119.800 -0.366 0.000 2.565 210 Q HA 0.784 5.124 4.340 -0.000 0.000 0.294 210 Q C -1.017 174.642 176.000 -0.569 0.000 1.005 210 Q CA -1.372 54.138 55.803 -0.488 0.000 0.771 210 Q CB 1.572 29.968 28.738 -0.570 0.000 1.486 210 Q HN 0.368 nan 8.270 nan 0.000 0.422 211 I N 1.815 121.944 120.570 -0.734 0.000 2.355 211 I HA 0.321 4.491 4.170 -0.000 0.000 0.288 211 I C -1.191 174.490 176.117 -0.725 0.000 0.999 211 I CA -0.928 59.931 61.300 -0.736 0.000 1.163 211 I CB 0.840 38.207 38.000 -1.056 0.000 1.316 211 I HN 0.560 nan 8.210 nan 0.000 0.454 212 Y N 6.321 126.388 120.300 -0.389 0.000 2.404 212 Y HA 0.184 4.734 4.550 -0.000 0.000 0.344 212 Y C 1.084 177.048 175.900 0.105 0.000 0.995 212 Y CA -0.044 57.935 58.100 -0.201 0.000 1.201 212 Y CB 1.224 39.372 38.460 -0.519 0.000 1.151 212 Y HN 0.552 nan 8.280 nan 0.000 0.517 213 K N 2.794 123.447 120.400 0.420 0.000 2.216 213 K HA 0.241 4.561 4.320 -0.000 0.000 0.207 213 K C 0.242 177.127 176.600 0.475 0.000 1.041 213 K CA 0.275 56.839 56.287 0.462 0.000 0.966 213 K CB 0.530 33.263 32.500 0.388 0.000 0.955 213 K HN 0.632 nan 8.250 nan 0.000 0.468 214 R N 0.512 121.233 120.500 0.368 0.000 2.725 214 R HA 0.200 4.540 4.340 -0.000 0.000 0.277 214 R C -1.797 174.589 176.300 0.144 0.000 0.987 214 R CA -0.621 55.557 56.100 0.129 0.000 0.901 214 R CB 1.998 32.349 30.300 0.085 0.000 1.207 214 R HN 0.120 nan 8.270 nan 0.000 0.463 215 Q N 4.310 124.043 119.800 -0.112 0.000 2.303 215 Q HA 0.259 4.599 4.340 -0.000 0.000 0.267 215 Q C -1.733 174.109 176.000 -0.265 0.000 1.011 215 Q CA -0.799 54.925 55.803 -0.131 0.000 0.740 215 Q CB 1.590 30.268 28.738 -0.101 0.000 1.250 215 Q HN 0.494 nan 8.270 nan 0.000 0.458 216 L N 4.967 126.064 121.223 -0.210 0.000 2.281 216 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 216 L C -1.578 175.236 176.870 -0.093 0.000 1.074 216 L CA -0.027 54.722 54.840 -0.153 0.000 0.817 216 L CB 1.380 43.404 42.059 -0.059 0.000 1.168 216 L HN 0.433 nan 8.230 nan 0.000 0.434 217 V N 6.975 126.879 119.914 -0.016 0.000 2.487 217 V HA 0.567 4.687 4.120 -0.000 0.000 0.298 217 V C -0.894 175.420 176.094 0.367 0.000 1.028 217 V CA -0.488 61.868 62.300 0.093 0.000 0.860 217 V CB 1.285 33.191 31.823 0.138 0.000 0.991 217 V HN 0.764 nan 8.190 nan 0.000 0.427 218 Y N 3.562 123.994 120.300 0.221 0.000 2.571 218 Y HA 0.887 5.437 4.550 -0.000 0.000 0.341 218 Y C -0.809 175.233 175.900 0.237 0.000 1.076 218 Y CA -1.545 56.713 58.100 0.263 0.000 1.029 218 Y CB 1.724 40.328 38.460 0.239 0.000 1.308 218 Y HN 0.508 nan 8.280 nan 0.000 0.461 219 V N 1.107 121.202 119.914 0.301 0.000 2.864 219 V HA 0.747 4.867 4.120 -0.000 0.000 0.314 219 V C -1.133 175.125 176.094 0.273 0.000 1.073 219 V CA -0.966 61.442 62.300 0.180 0.000 0.956 219 V CB 2.047 33.875 31.823 0.008 0.000 1.023 219 V HN 0.769 nan 8.190 nan 0.000 0.435 220 I N 3.737 124.465 120.570 0.263 0.000 2.378 220 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 220 I C -0.189 176.022 176.117 0.158 0.000 0.992 220 I CA -0.258 61.198 61.300 0.259 0.000 1.154 220 I CB 1.520 39.738 38.000 0.364 0.000 1.315 220 I HN 0.914 nan 8.210 nan 0.000 0.448 221 N N 3.444 122.216 118.700 0.121 0.000 2.421 221 N HA 0.084 4.824 4.740 -0.000 0.000 0.285 221 N C 1.034 176.592 175.510 0.079 0.000 1.027 221 N CA -0.062 53.034 53.050 0.077 0.000 0.918 221 N CB 1.736 40.256 38.487 0.055 0.000 1.152 221 N HN 0.619 nan 8.380 nan 0.000 0.485 222 S N 2.248 117.987 115.700 0.065 0.000 2.420 222 S HA -0.144 4.326 4.470 -0.000 0.000 0.237 222 S C 1.371 176.000 174.600 0.048 0.000 1.023 222 S CA 1.505 59.740 58.200 0.059 0.000 0.991 222 S CB -0.210 63.016 63.200 0.043 0.000 0.792 222 S HN 0.660 nan 8.310 nan 0.000 0.488 223 T N 2.069 116.648 114.554 0.041 0.000 2.980 223 T HA 0.089 4.439 4.350 -0.000 0.000 0.239 223 T C 2.069 176.790 174.700 0.035 0.000 1.011 223 T CA 1.089 63.209 62.100 0.032 0.000 1.171 223 T CB -0.439 68.443 68.868 0.023 0.000 0.873 223 T HN 0.685 nan 8.240 nan 0.000 0.431 224 S N 0.748 116.471 115.700 0.038 0.000 2.593 224 S HA 0.452 4.922 4.470 -0.000 0.000 0.217 224 S C 1.541 176.175 174.600 0.056 0.000 0.966 224 S CA 0.270 58.493 58.200 0.039 0.000 0.914 224 S CB -0.536 62.683 63.200 0.033 0.000 0.776 224 S HN 0.772 nan 8.310 nan 0.000 0.523 225 G N 2.568 111.413 108.800 0.075 0.000 2.583 225 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.292 225 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.292 225 G C 0.460 175.438 174.900 0.130 0.000 1.203 225 G CA 0.285 45.447 45.100 0.104 0.000 0.987 225 G HN 0.689 nan 8.290 nan 0.000 0.554 226 I N 1.960 122.616 120.570 0.143 0.000 3.684 226 I HA 0.135 4.305 4.170 -0.000 0.000 0.304 226 I C 0.555 176.747 176.117 0.125 0.000 1.278 226 I CA 0.027 61.435 61.300 0.180 0.000 1.272 226 I CB -0.261 37.868 38.000 0.215 0.000 1.029 226 I HN 0.323 nan 8.210 nan 0.000 0.458 227 N N 4.079 122.823 118.700 0.074 0.000 3.298 227 N HA 0.106 4.846 4.740 -0.000 0.000 0.292 227 N C -1.026 174.510 175.510 0.044 0.000 1.271 227 N CA 0.054 53.125 53.050 0.034 0.000 1.184 227 N CB -0.266 38.222 38.487 0.003 0.000 1.452 227 N HN 0.536 nan 8.380 nan 0.000 0.534 228 N N -1.312 117.426 118.700 0.064 0.000 2.774 228 N HA 0.245 4.985 4.740 -0.000 0.000 0.264 228 N C -0.469 175.074 175.510 0.055 0.000 1.415 228 N CA -0.557 52.523 53.050 0.049 0.000 0.815 228 N CB 1.465 39.976 38.487 0.040 0.000 1.514 228 N HN -0.043 nan 8.380 nan 0.000 0.523 229 T N -3.258 111.314 114.554 0.030 0.000 3.415 229 T HA 0.244 4.594 4.350 -0.000 0.000 0.282 229 T C -0.292 174.380 174.700 -0.047 0.000 1.007 229 T CA -0.435 61.681 62.100 0.028 0.000 0.958 229 T CB -0.224 68.680 68.868 0.060 0.000 1.171 229 T HN 0.284 nan 8.240 nan 0.000 0.500 230 D N 2.442 122.789 120.400 -0.088 0.000 2.144 230 D HA 0.054 4.694 4.640 -0.000 0.000 0.200 230 D C -1.827 174.332 176.300 -0.236 0.000 0.978 230 D CA 0.233 54.159 54.000 -0.124 0.000 0.833 230 D CB -1.076 39.666 40.800 -0.096 0.000 0.961 230 D HN 0.392 nan 8.370 nan 0.000 0.470 231 P HA 0.047 nan 4.420 nan 0.000 0.271 231 P C 0.580 177.593 177.300 -0.477 0.000 1.220 231 P CA 0.536 63.167 63.100 -0.781 0.000 0.768 231 P CB 1.020 31.535 31.700 -1.974 0.000 0.848 232 T N -0.968 113.484 114.554 -0.170 0.000 2.980 232 T HA 0.265 4.615 4.350 -0.000 0.000 0.252 232 T C 0.164 174.978 174.700 0.190 0.000 0.962 232 T CA 0.052 62.187 62.100 0.060 0.000 0.932 232 T CB 0.160 69.045 68.868 0.028 0.000 1.188 232 T HN 0.374 nan 8.240 nan 0.000 0.500 233 E N -0.350 119.951 120.200 0.167 0.000 2.390 233 E HA 0.608 4.958 4.350 -0.000 0.000 0.277 233 E C -2.197 174.587 176.600 0.307 0.000 0.939 233 E CA -1.046 55.495 56.400 0.235 0.000 0.769 233 E CB 2.127 31.900 29.700 0.122 0.000 1.251 233 E HN 0.313 nan 8.360 nan 0.000 0.450 234 Y N 1.610 122.035 120.300 0.209 0.000 2.545 234 Y HA 0.628 5.178 4.550 -0.000 0.000 0.348 234 Y C -1.452 174.511 175.900 0.106 0.000 1.002 234 Y CA -0.583 57.634 58.100 0.196 0.000 1.039 234 Y CB 1.933 40.537 38.460 0.240 0.000 1.271 234 Y HN 0.594 nan 8.280 nan 0.000 0.467 235 E N 5.223 124.976 120.200 -0.745 0.000 2.343 235 E HA 0.339 4.689 4.350 -0.000 0.000 0.286 235 E C -2.483 173.821 176.600 -0.494 0.000 0.915 235 E CA -0.794 55.359 56.400 -0.411 0.000 0.784 235 E CB 1.717 31.310 29.700 -0.178 0.000 1.251 235 E HN 0.671 nan 8.360 nan 0.000 0.407 236 L N 4.655 125.771 121.223 -0.179 0.000 2.305 236 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 236 L C -1.130 175.769 176.870 0.048 0.000 1.013 236 L CA -0.078 54.767 54.840 0.009 0.000 0.819 236 L CB 1.060 43.279 42.059 0.267 0.000 1.227 236 L HN 0.490 nan 8.230 nan 0.000 0.417 237 K N 5.225 125.647 120.400 0.035 0.000 2.426 237 K HA 0.583 4.903 4.320 -0.000 0.000 0.251 237 K C -1.439 175.209 176.600 0.080 0.000 0.941 237 K CA -0.681 55.637 56.287 0.052 0.000 0.808 237 K CB 1.602 34.113 32.500 0.019 0.000 1.265 237 K HN 0.643 nan 8.250 nan 0.000 0.432 238 I N 4.417 125.037 120.570 0.084 0.000 2.315 238 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 238 I C 0.461 176.622 176.117 0.073 0.000 1.006 238 I CA -0.547 60.802 61.300 0.082 0.000 1.265 238 I CB 1.646 39.694 38.000 0.080 0.000 1.387 238 I HN 0.444 nan 8.210 nan 0.000 0.475 239 V N 5.491 125.457 119.914 0.086 0.000 3.605 239 V HA 0.049 4.169 4.120 -0.000 0.000 0.284 239 V C 1.978 178.097 176.094 0.042 0.000 1.386 239 V CA 0.114 62.462 62.300 0.080 0.000 1.053 239 V CB -0.093 31.816 31.823 0.144 0.000 0.857 239 V HN 0.756 nan 8.190 nan 0.000 0.436 240 R N 2.233 122.747 120.500 0.023 0.000 2.062 240 R HA 0.073 4.413 4.340 -0.000 0.000 0.231 240 R C 1.427 177.729 176.300 0.004 0.000 1.136 240 R CA 1.901 57.999 56.100 -0.003 0.000 0.948 240 R CB -0.871 29.419 30.300 -0.016 0.000 0.845 240 R HN 0.440 nan 8.270 nan 0.000 0.430 241 G N -0.774 108.035 108.800 0.014 0.000 2.945 241 G HA2 0.263 4.223 3.960 -0.000 0.000 0.156 241 G HA3 0.263 4.223 3.960 -0.000 0.000 0.156 241 G C -0.938 173.974 174.900 0.019 0.000 1.375 241 G CA -0.022 45.086 45.100 0.014 0.000 1.039 241 G HN 0.213 nan 8.290 nan 0.000 0.586 242 V N 2.300 122.226 119.914 0.020 0.000 2.475 242 V HA 0.243 4.363 4.120 -0.000 0.000 0.292 242 V C -1.928 174.182 176.094 0.027 0.000 1.003 242 V CA -1.207 61.105 62.300 0.021 0.000 1.120 242 V CB 0.327 32.162 31.823 0.020 0.000 0.937 242 V HN 0.383 nan 8.190 nan 0.000 0.476 243 P HA 0.095 nan 4.420 nan 0.000 0.257 243 P C -0.794 176.525 177.300 0.033 0.000 1.162 243 P CA 0.758 63.877 63.100 0.032 0.000 0.762 243 P CB 0.135 31.851 31.700 0.027 0.000 0.753 244 T N 2.616 117.195 114.554 0.041 0.000 3.011 244 T HA 0.189 4.539 4.350 -0.000 0.000 0.303 244 T C -0.892 173.836 174.700 0.046 0.000 0.997 244 T CA -0.657 61.467 62.100 0.041 0.000 1.007 244 T CB 0.802 69.698 68.868 0.046 0.000 1.017 244 T HN 0.146 nan 8.240 nan 0.000 0.443 245 D N 2.782 123.204 120.400 0.036 0.000 2.339 245 D HA 0.200 4.840 4.640 -0.000 0.000 0.256 245 D C 0.908 177.228 176.300 0.033 0.000 1.214 245 D CA -0.319 53.702 54.000 0.035 0.000 0.877 245 D CB 1.216 42.033 40.800 0.028 0.000 1.111 245 D HN 0.179 nan 8.370 nan 0.000 0.478 246 K N 1.689 122.115 120.400 0.043 0.000 2.400 246 K HA 0.224 4.544 4.320 -0.000 0.000 0.194 246 K C 0.456 177.039 176.600 -0.028 0.000 1.033 246 K CA -0.026 56.241 56.287 -0.033 0.000 1.021 246 K CB 0.497 32.998 32.500 0.002 0.000 0.808 246 K HN 0.594 nan 8.250 nan 0.000 0.505 247 I N -1.228 119.368 120.570 0.043 0.000 2.741 247 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 247 I C -2.229 173.936 176.117 0.080 0.000 1.482 247 I CA -0.592 60.748 61.300 0.066 0.000 1.050 247 I CB 1.684 39.617 38.000 -0.111 0.000 1.388 247 I HN -0.197 nan 8.210 nan 0.000 0.428 248 K N 7.856 128.323 120.400 0.111 0.000 2.716 248 K HA 0.619 4.939 4.320 -0.000 0.000 0.249 248 K C -1.978 174.706 176.600 0.141 0.000 1.004 248 K CA -0.575 55.775 56.287 0.105 0.000 0.968 248 K CB 1.664 34.203 32.500 0.065 0.000 1.214 248 K HN 0.576 nan 8.250 nan 0.000 0.476 249 V N 0.351 120.378 119.914 0.187 0.000 2.876 249 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 249 V C 0.047 176.259 176.094 0.196 0.000 1.085 249 V CA -0.844 61.561 62.300 0.175 0.000 0.945 249 V CB 1.499 33.426 31.823 0.173 0.000 1.017 249 V HN 0.718 nan 8.190 nan 0.000 0.428 250 S N 3.386 119.183 115.700 0.162 0.000 2.584 250 S HA 0.098 4.568 4.470 -0.000 0.000 0.270 250 S C 0.748 175.498 174.600 0.250 0.000 1.346 250 S CA 0.018 58.334 58.200 0.194 0.000 1.018 250 S CB 0.539 63.827 63.200 0.146 0.000 0.899 250 S HN 1.122 nan 8.310 nan 0.000 0.542 251 W N 1.494 122.842 121.300 0.080 0.000 2.381 251 W HA -0.109 4.551 4.660 -0.000 0.000 0.301 251 W C 2.235 178.793 176.519 0.064 0.000 1.205 251 W CA 1.221 58.611 57.345 0.075 0.000 1.285 251 W CB -0.662 28.845 29.460 0.078 0.000 1.133 251 W HN 0.934 nan 8.180 nan 0.000 0.521 252 A N 0.842 123.786 122.820 0.207 0.000 1.877 252 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 252 A C 2.113 179.708 177.584 0.019 0.000 1.186 252 A CA 2.509 54.603 52.037 0.094 0.000 0.620 252 A CB -1.339 17.732 19.000 0.118 0.000 0.822 252 A HN 0.272 nan 8.150 nan 0.000 0.443 253 A N -0.335 122.511 122.820 0.043 0.000 1.908 253 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 253 A C 2.247 179.816 177.584 -0.024 0.000 1.181 253 A CA 1.639 53.690 52.037 0.025 0.000 0.627 253 A CB -0.670 18.364 19.000 0.057 0.000 0.818 253 A HN 0.599 nan 8.150 nan 0.000 0.445 254 L N -0.714 120.462 121.223 -0.079 0.000 2.046 254 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 254 L C 2.759 179.479 176.870 -0.249 0.000 1.077 254 L CA 1.712 56.438 54.840 -0.189 0.000 0.747 254 L CB -0.380 41.473 42.059 -0.343 0.000 0.896 254 L HN 0.500 nan 8.230 nan 0.000 0.432 255 Q N -0.557 119.062 119.800 -0.302 0.000 2.224 255 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 255 Q C 2.219 178.185 176.000 -0.057 0.000 0.970 255 Q CA 1.254 56.931 55.803 -0.210 0.000 0.865 255 Q CB -0.152 28.476 28.738 -0.184 0.000 0.922 255 Q HN 0.674 nan 8.270 nan 0.000 0.445 256 A N 1.597 124.391 122.820 -0.043 0.000 1.873 256 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 256 A C 1.939 179.518 177.584 -0.009 0.000 1.186 256 A CA 1.513 53.547 52.037 -0.006 0.000 0.616 256 A CB -0.559 18.440 19.000 -0.002 0.000 0.823 256 A HN 0.423 nan 8.150 nan 0.000 0.442 257 E N 0.156 120.339 120.200 -0.027 0.000 2.171 257 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 257 E C 1.718 178.307 176.600 -0.017 0.000 0.997 257 E CA 1.575 57.956 56.400 -0.032 0.000 0.810 257 E CB -0.285 29.398 29.700 -0.028 0.000 0.738 257 E HN 0.800 nan 8.360 nan 0.000 0.467 258 N N -0.505 118.207 118.700 0.019 0.000 2.216 258 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 258 N C 1.960 177.591 175.510 0.201 0.000 1.017 258 N CA 0.482 53.631 53.050 0.165 0.000 0.861 258 N CB 0.032 38.589 38.487 0.116 0.000 0.986 258 N HN 0.143 nan 8.380 nan 0.000 0.428 259 Q N 0.794 120.663 119.800 0.115 0.000 2.096 259 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 259 Q C 2.097 178.121 176.000 0.041 0.000 0.982 259 Q CA 1.376 57.234 55.803 0.091 0.000 0.850 259 Q CB -0.181 28.591 28.738 0.056 0.000 0.901 259 Q HN 0.402 nan 8.270 nan 0.000 0.422 260 A N 0.681 123.500 122.820 -0.001 0.000 1.872 260 A HA -0.144 4.176 4.320 -0.000 0.000 0.214 260 A C 2.038 179.560 177.584 -0.103 0.000 1.187 260 A CA 1.094 53.105 52.037 -0.044 0.000 0.614 260 A CB -0.326 18.643 19.000 -0.052 0.000 0.826 260 A HN 0.181 nan 8.150 nan 0.000 0.442 261 E N -0.667 119.426 120.200 -0.179 0.000 2.031 261 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 261 E C 1.483 177.767 176.600 -0.527 0.000 0.994 261 E CA 1.437 57.583 56.400 -0.425 0.000 0.800 261 E CB -0.263 29.025 29.700 -0.686 0.000 0.752 261 E HN 0.770 nan 8.360 nan 0.000 0.447 262 Y N 0.118 120.420 120.300 0.004 0.000 2.462 262 Y HA 0.177 4.727 4.550 -0.000 0.000 0.261 262 Y C 0.462 176.344 175.900 -0.029 0.000 1.146 262 Y CA 0.041 58.145 58.100 0.007 0.000 1.283 262 Y CB 0.267 38.779 38.460 0.087 0.000 1.090 262 Y HN -0.016 nan 8.280 nan 0.000 0.526 263 Q N 0.143 119.980 119.800 0.062 0.000 2.463 263 Q HA -0.134 4.206 4.340 -0.000 0.000 0.299 263 Q C -1.198 174.804 176.000 0.004 0.000 1.353 263 Q CA 0.499 56.313 55.803 0.019 0.000 0.828 263 Q CB -2.110 26.623 28.738 -0.010 0.000 1.157 263 Q HN 0.245 nan 8.270 nan 0.000 0.436 264 V N -3.078 116.857 119.914 0.035 0.000 3.120 264 V HA 0.863 4.983 4.120 -0.000 0.000 0.303 264 V C -0.084 176.054 176.094 0.073 0.000 1.238 264 V CA -0.725 61.553 62.300 -0.037 0.000 1.008 264 V CB 1.967 33.612 31.823 -0.298 0.000 1.064 264 V HN 0.296 nan 8.190 nan 0.000 0.434 265 A N 2.335 125.212 122.820 0.096 0.000 2.304 265 A HA 0.854 5.174 4.320 -0.000 0.000 0.271 265 A C -2.520 175.197 177.584 0.222 0.000 1.091 265 A CA -1.576 50.543 52.037 0.138 0.000 0.812 265 A CB -0.156 18.903 19.000 0.099 0.000 1.056 265 A HN 0.732 nan 8.150 nan 0.000 0.489 266 P HA -0.062 nan 4.420 nan 0.000 0.266 266 P C 0.150 177.526 177.300 0.127 0.000 1.193 266 P CA 0.392 63.671 63.100 0.299 0.000 0.770 266 P CB 0.160 32.000 31.700 0.233 0.000 0.836 267 Y N 2.824 123.051 120.300 -0.122 0.000 2.333 267 Y HA -0.116 4.434 4.550 0.000 0.000 0.290 267 Y C 0.923 176.678 175.900 -0.242 0.000 1.144 267 Y CA 1.885 59.630 58.100 -0.593 0.000 1.228 267 Y CB 0.224 38.345 38.460 -0.564 0.000 0.985 267 Y HN 0.486 nan 8.280 nan 0.000 0.542 268 S N -2.777 112.918 115.700 -0.007 0.000 2.655 268 S HA 0.408 4.878 4.470 -0.000 0.000 0.266 268 S C 0.690 175.399 174.600 0.182 0.000 1.149 268 S CA -0.471 57.724 58.200 -0.008 0.000 0.818 268 S CB 0.542 63.752 63.200 0.017 0.000 1.130 268 S HN 0.247 nan 8.310 nan 0.000 0.476 269 G N -0.008 108.897 108.800 0.176 0.000 2.598 269 G HA2 0.368 4.328 3.960 -0.000 0.000 0.215 269 G HA3 0.368 4.328 3.960 -0.000 0.000 0.215 269 G C 0.937 176.097 174.900 0.432 0.000 1.131 269 G CA 0.595 45.860 45.100 0.275 0.000 0.785 269 G HN 1.386 nan 8.290 nan 0.000 0.539 270 A N 0.230 123.270 122.820 0.368 0.000 2.465 270 A HA 0.564 4.884 4.320 -0.000 0.000 0.255 270 A C 1.084 179.052 177.584 0.639 0.000 1.274 270 A CA 0.495 52.746 52.037 0.356 0.000 0.920 270 A CB 0.064 19.188 19.000 0.206 0.000 1.033 270 A HN 0.469 nan 8.150 nan 0.000 0.516 271 S N -0.724 115.402 115.700 0.710 0.000 2.503 271 S HA 0.880 5.350 4.470 -0.000 0.000 0.301 271 S C -0.453 174.345 174.600 0.329 0.000 1.087 271 S CA -0.010 58.562 58.200 0.620 0.000 1.042 271 S CB 1.838 65.349 63.200 0.519 0.000 1.043 271 S HN 1.399 nan 8.310 nan 0.000 0.489 272 A N 2.219 125.045 122.820 0.011 0.000 2.604 272 A HA 0.753 5.073 4.320 -0.000 0.000 0.295 272 A C -1.356 175.920 177.584 -0.513 0.000 1.067 272 A CA -0.823 50.894 52.037 -0.532 0.000 0.683 272 A CB 1.002 19.227 19.000 -1.291 0.000 1.281 272 A HN 0.864 nan 8.150 nan 0.000 0.407 273 I N 1.265 121.457 120.570 -0.631 0.000 2.433 273 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 273 I C -1.234 174.613 176.117 -0.449 0.000 1.001 273 I CA -0.686 60.297 61.300 -0.528 0.000 1.119 273 I CB 1.881 39.516 38.000 -0.609 0.000 1.289 273 I HN 0.472 nan 8.210 nan 0.000 0.438 274 I N 5.269 125.534 120.570 -0.508 0.000 2.359 274 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 274 I C -0.350 175.413 176.117 -0.590 0.000 1.018 274 I CA -0.208 60.717 61.300 -0.625 0.000 1.173 274 I CB 0.807 38.245 38.000 -0.937 0.000 1.326 274 I HN 0.349 nan 8.210 nan 0.000 0.462 275 D N 6.529 126.774 120.400 -0.259 0.000 2.380 275 D HA 0.135 4.775 4.640 -0.000 0.000 0.230 275 D C 0.879 177.205 176.300 0.044 0.000 1.154 275 D CA -0.114 53.830 54.000 -0.094 0.000 0.859 275 D CB 0.929 41.756 40.800 0.044 0.000 1.045 275 D HN 0.313 nan 8.370 nan 0.000 0.495 276 F N 1.648 121.768 119.950 0.284 0.000 2.333 276 F HA -0.139 4.388 4.527 0.000 0.000 0.300 276 F C 2.546 178.628 175.800 0.471 0.000 1.083 276 F CA 0.587 58.847 58.000 0.434 0.000 1.395 276 F CB -0.345 38.831 39.000 0.293 0.000 1.056 276 F HN 0.359 nan 8.300 nan 0.000 0.529 277 R N 0.372 121.130 120.500 0.430 0.000 2.120 277 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 277 R C 1.542 177.964 176.300 0.203 0.000 1.123 277 R CA 1.354 57.631 56.100 0.295 0.000 0.975 277 R CB -0.626 29.786 30.300 0.186 0.000 0.866 277 R HN 0.073 nan 8.270 nan 0.000 0.446 278 K N -0.133 120.361 120.400 0.156 0.000 2.504 278 K HA -0.015 4.305 4.320 -0.000 0.000 0.195 278 K C 0.213 176.553 176.600 -0.433 0.000 1.036 278 K CA 0.900 57.092 56.287 -0.159 0.000 0.984 278 K CB 0.172 32.487 32.500 -0.309 0.000 0.788 278 K HN 0.369 nan 8.250 nan 0.000 0.488 279 Y N -2.467 117.881 120.300 0.080 0.000 2.499 279 Y HA 0.352 4.902 4.550 -0.000 0.000 0.253 279 Y C -0.143 175.548 175.900 -0.347 0.000 1.105 279 Y CA -0.818 57.214 58.100 -0.113 0.000 1.240 279 Y CB 0.585 38.969 38.460 -0.126 0.000 1.289 279 Y HN -0.213 nan 8.280 nan 0.000 0.534 280 F N -0.314 119.789 119.950 0.254 0.000 2.640 280 F HA 0.302 4.829 4.527 -0.000 0.000 0.324 280 F C 0.212 176.088 175.800 0.128 0.000 1.077 280 F CA -1.462 56.648 58.000 0.183 0.000 0.965 280 F CB 1.098 40.216 39.000 0.196 0.000 1.351 280 F HN -0.280 nan 8.300 nan 0.000 0.487 281 N N 1.085 119.977 118.700 0.320 0.000 2.739 281 N HA 0.424 5.164 4.740 -0.000 0.000 0.266 281 N C 0.023 175.655 175.510 0.204 0.000 1.168 281 N CA 0.502 53.670 53.050 0.197 0.000 1.055 281 N CB -0.190 38.388 38.487 0.151 0.000 1.393 281 N HN 0.901 nan 8.380 nan 0.000 0.514 282 G N 2.306 111.230 108.800 0.207 0.000 2.698 282 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 282 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 282 G C -0.998 174.045 174.900 0.238 0.000 1.345 282 G CA -0.858 44.358 45.100 0.193 0.000 0.871 282 G HN 0.549 nan 8.290 nan 0.000 0.540 283 D N -0.453 120.077 120.400 0.217 0.000 2.400 283 D HA 0.310 4.950 4.640 -0.000 0.000 0.238 283 D C 0.874 177.200 176.300 0.044 0.000 1.157 283 D CA -0.120 54.007 54.000 0.213 0.000 0.889 283 D CB 0.964 41.918 40.800 0.256 0.000 1.199 283 D HN 0.593 nan 8.370 nan 0.000 0.436 284 L N 2.513 123.661 121.223 -0.125 0.000 2.485 284 L HA 0.073 4.413 4.340 -0.000 0.000 0.279 284 L C -0.214 176.488 176.870 -0.280 0.000 1.124 284 L CA -0.048 54.502 54.840 -0.485 0.000 0.888 284 L CB -0.184 41.271 42.059 -1.006 0.000 1.217 284 L HN 0.142 nan 8.230 nan 0.000 0.464 285 D N 5.109 125.384 120.400 -0.209 0.000 2.411 285 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 285 D C 0.322 176.519 176.300 -0.171 0.000 1.156 285 D CA 0.008 53.915 54.000 -0.155 0.000 0.874 285 D CB 0.468 41.251 40.800 -0.028 0.000 1.034 285 D HN 0.625 nan 8.370 nan 0.000 0.502 286 L N 3.161 124.270 121.223 -0.188 0.000 2.872 286 L HA 0.101 4.441 4.340 -0.000 0.000 0.245 286 L C 1.843 178.561 176.870 -0.254 0.000 1.211 286 L CA -0.191 54.548 54.840 -0.170 0.000 1.013 286 L CB 0.040 42.046 42.059 -0.088 0.000 1.326 286 L HN 0.284 nan 8.230 nan 0.000 0.525 287 T N -0.931 113.371 114.554 -0.420 0.000 2.624 287 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 287 T C 1.237 175.539 174.700 -0.663 0.000 1.041 287 T CA 1.587 63.259 62.100 -0.714 0.000 1.159 287 T CB -0.191 67.841 68.868 -1.393 0.000 0.863 287 T HN 0.385 nan 8.240 nan 0.000 0.434 288 H N -0.050 118.863 119.070 -0.261 0.000 2.475 288 H HA 0.662 5.219 4.556 0.000 0.000 0.276 288 H C 0.424 175.691 175.328 -0.102 0.000 1.126 288 H CA -0.521 55.435 56.048 -0.152 0.000 1.023 288 H CB -0.304 29.401 29.762 -0.095 0.000 1.669 288 H HN 0.321 nan 8.280 nan 0.000 0.573 289 A N 1.875 124.675 122.820 -0.034 0.000 2.304 289 A HA 0.482 4.802 4.320 -0.000 0.000 0.271 289 A C -2.032 175.525 177.584 -0.046 0.000 1.091 289 A CA -1.241 50.773 52.037 -0.038 0.000 0.812 289 A CB 0.350 19.306 19.000 -0.073 0.000 1.056 289 A HN 0.026 nan 8.150 nan 0.000 0.489 290 P HA 0.116 nan 4.420 nan 0.000 0.270 290 P C 0.928 178.175 177.300 -0.087 0.000 1.223 290 P CA 0.259 63.323 63.100 -0.060 0.000 0.785 290 P CB 0.674 32.339 31.700 -0.058 0.000 0.923 291 S N 0.778 116.417 115.700 -0.101 0.000 2.500 291 S HA -0.149 4.321 4.470 -0.000 0.000 0.210 291 S C 0.601 175.084 174.600 -0.195 0.000 1.101 291 S CA 1.161 59.285 58.200 -0.127 0.000 1.272 291 S CB -1.224 61.903 63.200 -0.122 0.000 1.071 291 S HN 0.448 nan 8.310 nan 0.000 0.397 292 D N 2.074 122.274 120.400 -0.334 0.000 2.745 292 D HA 0.229 4.869 4.640 -0.000 0.000 0.229 292 D C 0.988 177.005 176.300 -0.472 0.000 1.088 292 D CA 0.475 54.041 54.000 -0.723 0.000 1.054 292 D CB -0.048 40.101 40.800 -1.084 0.000 1.132 292 D HN 0.601 nan 8.370 nan 0.000 0.464 293 S N -0.827 114.761 115.700 -0.187 0.000 2.527 293 S HA 0.132 4.602 4.470 -0.000 0.000 0.227 293 S C 0.811 175.439 174.600 0.048 0.000 1.059 293 S CA -0.161 58.003 58.200 -0.060 0.000 0.919 293 S CB 0.701 63.867 63.200 -0.057 0.000 0.805 293 S HN 0.175 nan 8.310 nan 0.000 0.500 294 I N 2.691 123.305 120.570 0.073 0.000 2.436 294 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 294 I C -0.795 175.425 176.117 0.172 0.000 1.010 294 I CA -0.693 60.658 61.300 0.085 0.000 1.098 294 I CB 2.063 40.035 38.000 -0.046 0.000 1.266 294 I HN 0.398 nan 8.210 nan 0.000 0.434 295 E N 6.133 126.411 120.200 0.129 0.000 2.277 295 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 295 E C -1.525 175.038 176.600 -0.061 0.000 0.901 295 E CA -0.854 55.518 56.400 -0.046 0.000 0.782 295 E CB 2.143 31.715 29.700 -0.214 0.000 1.228 295 E HN 0.518 nan 8.360 nan 0.000 0.424 296 Y N 0.275 120.401 120.300 -0.291 0.000 2.341 296 Y HA 0.568 5.118 4.550 -0.000 0.000 0.338 296 Y C -1.358 174.301 175.900 -0.401 0.000 0.965 296 Y CA -1.023 56.898 58.100 -0.298 0.000 1.108 296 Y CB 1.518 39.925 38.460 -0.089 0.000 1.180 296 Y HN 0.356 nan 8.280 nan 0.000 0.458 297 D N 4.398 124.550 120.400 -0.413 0.000 2.299 297 D HA 0.600 5.240 4.640 -0.000 0.000 0.243 297 D C -1.378 174.744 176.300 -0.297 0.000 0.982 297 D CA -0.335 53.424 54.000 -0.402 0.000 0.924 297 D CB 2.743 43.386 40.800 -0.262 0.000 1.238 297 D HN 0.554 nan 8.370 nan 0.000 0.484 298 L N 0.325 121.415 121.223 -0.222 0.000 2.434 298 L HA 0.638 4.978 4.340 -0.000 0.000 0.260 298 L C -1.292 175.516 176.870 -0.103 0.000 0.983 298 L CA -0.708 54.066 54.840 -0.110 0.000 0.820 298 L CB 2.107 44.113 42.059 -0.088 0.000 1.361 298 L HN 0.526 nan 8.230 nan 0.000 0.410 299 A N 4.319 127.097 122.820 -0.070 0.000 2.291 299 A HA 0.852 5.172 4.320 -0.000 0.000 0.311 299 A C -1.330 176.195 177.584 -0.099 0.000 1.224 299 A CA -0.367 51.630 52.037 -0.067 0.000 0.821 299 A CB 0.478 19.461 19.000 -0.029 0.000 1.172 299 A HN 0.590 nan 8.150 nan 0.000 0.494 300 L N 1.481 122.644 121.223 -0.101 0.000 2.323 300 L HA 0.439 4.779 4.340 -0.000 0.000 0.265 300 L C 1.004 177.828 176.870 -0.078 0.000 1.012 300 L CA -0.601 54.168 54.840 -0.118 0.000 0.820 300 L CB 1.972 43.958 42.059 -0.121 0.000 1.334 300 L HN 0.841 nan 8.230 nan 0.000 0.427 301 Q N 0.391 120.148 119.800 -0.073 0.000 2.425 301 Q HA 0.133 4.473 4.340 -0.000 0.000 0.204 301 Q C -0.603 175.377 176.000 -0.034 0.000 0.933 301 Q CA 0.525 56.301 55.803 -0.044 0.000 0.939 301 Q CB 0.403 29.120 28.738 -0.036 0.000 1.044 301 Q HN 0.550 nan 8.270 nan 0.000 0.513 302 N N -0.319 118.358 118.700 -0.040 0.000 2.494 302 N HA 0.077 4.817 4.740 -0.000 0.000 0.270 302 N C -1.638 173.854 175.510 -0.030 0.000 1.285 302 N CA -0.656 52.378 53.050 -0.026 0.000 0.812 302 N CB 1.447 39.925 38.487 -0.015 0.000 1.557 302 N HN -0.068 nan 8.380 nan 0.000 0.487 303 Q N 1.244 121.033 119.800 -0.019 0.000 2.281 303 Q HA 0.191 4.530 4.340 -0.000 0.000 0.267 303 Q C -1.200 174.796 176.000 -0.006 0.000 1.053 303 Q CA 0.433 56.225 55.803 -0.018 0.000 0.905 303 Q CB 0.249 28.981 28.738 -0.009 0.000 1.195 303 Q HN 0.398 nan 8.270 nan 0.000 0.398 304 D N 2.634 123.025 120.400 -0.016 0.000 2.566 304 D HA 0.385 5.025 4.640 -0.000 0.000 0.254 304 D C -1.037 175.261 176.300 -0.003 0.000 1.090 304 D CA -0.638 53.365 54.000 0.006 0.000 1.034 304 D CB 1.121 41.919 40.800 -0.003 0.000 1.434 304 D HN 0.470 nan 8.370 nan 0.000 0.509 305 N N -0.111 118.608 118.700 0.032 0.000 2.426 305 N HA 0.365 5.105 4.740 -0.000 0.000 0.275 305 N C -0.800 174.553 175.510 -0.262 0.000 1.019 305 N CA -0.290 52.731 53.050 -0.048 0.000 0.941 305 N CB 1.649 40.238 38.487 0.171 0.000 1.123 305 N HN 0.059 nan 8.380 nan 0.000 0.486 306 V N 3.156 122.789 119.914 -0.468 0.000 2.472 306 V HA 0.381 4.501 4.120 -0.000 0.000 0.290 306 V C -0.785 174.813 176.094 -0.826 0.000 1.037 306 V CA -0.547 61.480 62.300 -0.456 0.000 0.908 306 V CB 0.468 32.143 31.823 -0.245 0.000 0.985 306 V HN 0.464 nan 8.190 nan 0.000 0.454 307 Y N 1.938 121.985 120.300 -0.421 0.000 2.350 307 Y HA 0.562 5.112 4.550 -0.000 0.000 0.338 307 Y C 0.335 175.938 175.900 -0.495 0.000 0.961 307 Y CA -0.450 57.309 58.100 -0.568 0.000 1.100 307 Y CB 2.215 40.055 38.460 -1.033 0.000 1.179 307 Y HN 0.544 nan 8.280 nan 0.000 0.454 308 S N 5.132 120.706 115.700 -0.211 0.000 2.640 308 S HA 0.471 4.941 4.470 -0.000 0.000 0.320 308 S C -1.344 173.028 174.600 -0.378 0.000 1.097 308 S CA -0.635 57.338 58.200 -0.378 0.000 1.092 308 S CB 0.214 63.083 63.200 -0.551 0.000 0.988 308 S HN 0.713 nan 8.310 nan 0.000 0.470 309 L N 6.425 127.491 121.223 -0.260 0.000 2.255 309 L HA 0.552 4.892 4.340 -0.000 0.000 0.289 309 L C -1.566 175.200 176.870 -0.173 0.000 1.046 309 L CA -0.721 54.054 54.840 -0.108 0.000 0.816 309 L CB 0.192 42.275 42.059 0.041 0.000 1.197 309 L HN 0.681 nan 8.230 nan 0.000 0.427 310 Y N 4.139 124.471 120.300 0.053 0.000 2.350 310 Y HA 0.280 4.830 4.550 0.000 0.000 0.340 310 Y C 0.225 176.132 175.900 0.011 0.000 1.006 310 Y CA -0.500 57.648 58.100 0.081 0.000 1.166 310 Y CB 1.382 39.922 38.460 0.133 0.000 1.168 310 Y HN 0.211 nan 8.280 nan 0.000 0.502 311 V N 4.757 124.786 119.914 0.192 0.000 2.284 311 V HA 0.306 4.426 4.120 -0.000 0.000 0.260 311 V C -0.101 176.065 176.094 0.119 0.000 1.084 311 V CA -0.084 62.275 62.300 0.098 0.000 0.894 311 V CB -0.345 31.538 31.823 0.100 0.000 1.119 311 V HN 0.824 nan 8.190 nan 0.000 0.484 312 S N 3.400 119.096 115.700 -0.007 0.000 2.810 312 S HA 0.945 5.415 4.470 -0.000 0.000 0.315 312 S C -1.060 173.545 174.600 0.008 0.000 1.138 312 S CA -0.614 57.509 58.200 -0.129 0.000 0.889 312 S CB 2.159 65.020 63.200 -0.565 0.000 1.236 312 S HN 0.699 nan 8.310 nan 0.000 0.548 313 Y N -2.378 117.804 120.300 -0.196 0.000 2.656 313 Y HA 0.828 5.378 4.550 -0.000 0.000 0.334 313 Y C -1.607 174.211 175.900 -0.136 0.000 1.179 313 Y CA -1.283 56.740 58.100 -0.128 0.000 1.050 313 Y CB 0.429 38.857 38.460 -0.053 0.000 1.308 313 Y HN 0.359 nan 8.280 nan 0.000 0.456 314 V N 2.545 122.481 119.914 0.037 0.000 2.789 314 V HA 0.458 4.578 4.120 -0.000 0.000 0.311 314 V C -0.690 175.449 176.094 0.075 0.000 1.073 314 V CA -1.002 61.268 62.300 -0.050 0.000 0.921 314 V CB 2.090 33.851 31.823 -0.103 0.000 1.009 314 V HN 0.747 nan 8.190 nan 0.000 0.426 315 L N 6.129 127.405 121.223 0.088 0.000 2.272 315 L HA 0.369 4.709 4.340 -0.000 0.000 0.284 315 L C -1.195 175.686 176.870 0.018 0.000 1.045 315 L CA -1.476 53.444 54.840 0.133 0.000 0.842 315 L CB 1.713 43.932 42.059 0.266 0.000 1.224 315 L HN 0.486 nan 8.230 nan 0.000 0.430 316 P HA -0.198 nan 4.420 nan 0.000 0.220 316 P C 0.359 177.330 177.300 -0.548 0.000 1.144 316 P CA 1.476 64.329 63.100 -0.411 0.000 0.800 316 P CB 0.032 31.359 31.700 -0.620 0.000 0.772 317 Y N -3.127 117.238 120.300 0.109 0.000 2.699 317 Y HA 0.221 4.771 4.550 0.000 0.000 0.282 317 Y C 1.903 177.879 175.900 0.126 0.000 1.058 317 Y CA -1.007 57.154 58.100 0.101 0.000 1.194 317 Y CB -0.476 38.022 38.460 0.064 0.000 1.193 317 Y HN -0.216 nan 8.280 nan 0.000 0.562 318 Y N 1.528 121.885 120.300 0.095 0.000 2.030 318 Y HA -0.404 4.146 4.550 -0.000 0.000 0.272 318 Y C 1.705 177.677 175.900 0.120 0.000 1.185 318 Y CA 2.316 60.462 58.100 0.078 0.000 1.120 318 Y CB -0.002 38.455 38.460 -0.005 0.000 0.955 318 Y HN 0.217 nan 8.280 nan 0.000 0.495 319 D N -0.201 120.414 120.400 0.360 0.000 2.106 319 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 319 D C 2.190 178.553 176.300 0.105 0.000 0.997 319 D CA 1.840 55.989 54.000 0.249 0.000 0.834 319 D CB -0.639 40.314 40.800 0.255 0.000 0.956 319 D HN 0.545 nan 8.370 nan 0.000 0.448 320 Q N -0.087 119.788 119.800 0.125 0.000 2.045 320 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 320 Q C 2.494 178.510 176.000 0.026 0.000 0.991 320 Q CA 0.858 56.704 55.803 0.073 0.000 0.851 320 Q CB -0.250 28.538 28.738 0.083 0.000 0.911 320 Q HN 0.329 nan 8.270 nan 0.000 0.418 321 L N 0.403 121.637 121.223 0.019 0.000 2.261 321 L HA -0.109 4.231 4.340 -0.000 0.000 0.216 321 L C 0.949 177.767 176.870 -0.087 0.000 1.114 321 L CA -0.044 54.776 54.840 -0.034 0.000 0.777 321 L CB -0.481 41.551 42.059 -0.046 0.000 0.910 321 L HN 0.078 nan 8.230 nan 0.000 0.440 322 A N 0.756 123.507 122.820 -0.115 0.000 2.473 322 A HA 0.460 4.780 4.320 -0.000 0.000 0.282 322 A C 0.591 178.149 177.584 -0.042 0.000 1.163 322 A CA 0.572 52.545 52.037 -0.106 0.000 0.827 322 A CB -0.240 18.710 19.000 -0.083 0.000 1.098 322 A HN 0.291 nan 8.150 nan 0.000 0.515 323 A N 2.376 125.174 122.820 -0.036 0.000 3.365 323 A HA 0.577 4.897 4.320 -0.000 0.000 0.258 323 A C 0.086 177.663 177.584 -0.011 0.000 0.964 323 A CA 0.435 52.462 52.037 -0.017 0.000 0.988 323 A CB -0.614 18.378 19.000 -0.014 0.000 1.193 323 A HN 1.910 nan 8.150 nan 0.000 0.508 324 L N 0.000 121.218 121.223 -0.008 0.000 2.949 324 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 324 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 324 L CB 0.000 42.061 42.059 0.004 0.000 0.961 324 L HN 0.000 nan 8.230 nan 0.000 0.502