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 1mpr_1_A DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQATGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVNQ QNDWESTDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGIE NIDLGFGKLS LAATRSTEAG DATA SEQUENCE GSYTFSSQNI YDEVKDTAND VFDVRLAGLQ TNPDGVLELG VDYGRANTTD DATA SEQUENCE GYKLADGASK DGWMFTAEHT QSMLKGYNKF VVQYATDAMT TQGKGQARGS DATA SEQUENCE DGSSSFTEXX XXXXKINYAN KVINNNGNMW RILDHGAISL GDKWDLMYVG DATA SEQUENCE MYQNIDWDNN LGTEWWTVGV RPMYKWTPIM STLLEVGYDN VKSQQTGDRN DATA SEQUENCE NQYKITLAQQ WQAGDSIWSR PAIRIFATYA KWDEKWGYIK DGDNISRYAA DATA SEQUENCE ATNSGISTNS RGDSDEWTFG AQMEIWW 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.148 176.094 0.091 0.000 1.182 1 V CA 0.000 62.342 62.300 0.070 0.000 1.235 1 V CB 0.000 31.856 31.823 0.056 0.000 1.184 2 D N 5.757 126.224 120.400 0.112 0.000 2.249 2 D HA 0.407 5.048 4.640 0.001 0.000 0.246 2 D C -0.772 175.579 176.300 0.084 0.000 1.114 2 D CA 0.285 54.337 54.000 0.087 0.000 0.854 2 D CB 1.572 42.509 40.800 0.227 0.000 1.132 2 D HN 0.400 nan 8.370 nan 0.000 0.461 3 F N 4.272 124.097 119.950 -0.209 0.000 2.426 3 F HA 0.334 4.861 4.527 0.001 0.000 0.348 3 F C -0.596 175.116 175.800 -0.146 0.000 1.124 3 F CA -0.343 57.645 58.000 -0.019 0.000 1.008 3 F CB 0.604 39.681 39.000 0.128 0.000 1.139 3 F HN 0.265 nan 8.300 nan 0.000 0.452 4 H N 2.567 121.505 119.070 -0.219 0.000 2.966 4 H HA 0.813 5.369 4.556 0.001 0.000 0.330 4 H C -0.002 174.497 175.328 -1.383 0.000 1.292 4 H CA -0.543 54.964 56.048 -0.901 0.000 1.127 4 H CB 1.623 31.119 29.762 -0.443 0.000 1.863 4 H HN 0.830 nan 8.280 nan 0.000 0.543 5 G N -0.551 107.214 108.800 -1.725 0.000 2.368 5 G HA2 0.262 4.222 3.960 0.001 0.000 0.269 5 G HA3 0.262 4.222 3.960 0.001 0.000 0.269 5 G C -2.358 171.916 174.900 -1.042 0.000 1.291 5 G CA -0.518 43.775 45.100 -1.345 0.000 0.903 5 G HN 0.585 nan 8.290 nan 0.000 0.483 6 Y N -0.015 119.979 120.300 -0.511 0.000 2.552 6 Y HA 0.774 5.324 4.550 0.001 0.000 0.337 6 Y C -0.772 175.324 175.900 0.326 0.000 1.094 6 Y CA 0.036 58.201 58.100 0.108 0.000 1.028 6 Y CB 1.757 40.349 38.460 0.220 0.000 1.321 6 Y HN 1.886 nan 8.280 nan 0.000 0.456 7 A N 4.897 127.391 122.820 -0.543 0.000 2.594 7 A HA 0.857 5.178 4.320 0.001 0.000 0.296 7 A C -1.821 175.522 177.584 -0.402 0.000 1.061 7 A CA -0.869 51.016 52.037 -0.253 0.000 0.689 7 A CB 1.716 20.764 19.000 0.079 0.000 1.280 7 A HN 1.000 nan 8.150 nan 0.000 0.406 8 R N -0.036 120.417 120.500 -0.078 0.000 2.626 8 R HA 0.895 5.235 4.340 0.001 0.000 0.274 8 R C -1.064 175.283 176.300 0.079 0.000 1.031 8 R CA -0.358 55.755 56.100 0.023 0.000 0.898 8 R CB 1.911 32.313 30.300 0.170 0.000 1.222 8 R HN 1.101 nan 8.270 nan 0.000 0.455 9 S N 0.488 116.223 115.700 0.059 0.000 2.543 9 S HA 0.826 5.297 4.470 0.001 0.000 0.274 9 S C -1.274 173.359 174.600 0.054 0.000 1.149 9 S CA 0.101 58.331 58.200 0.051 0.000 0.866 9 S CB 1.809 65.021 63.200 0.021 0.000 1.111 9 S HN 1.176 nan 8.310 nan 0.000 0.457 10 G N 1.650 110.476 108.800 0.043 0.000 2.489 10 G HA2 0.605 4.566 3.960 0.001 0.000 0.305 10 G HA3 0.605 4.566 3.960 0.001 0.000 0.305 10 G C -2.090 172.796 174.900 -0.023 0.000 1.311 10 G CA -0.347 44.783 45.100 0.050 0.000 0.813 10 G HN 1.000 nan 8.290 nan 0.000 0.480 11 I N -0.175 120.352 120.570 -0.071 0.000 2.647 11 I HA 0.798 4.969 4.170 0.001 0.000 0.295 11 I C -0.002 175.853 176.117 -0.437 0.000 1.078 11 I CA -0.563 60.562 61.300 -0.292 0.000 1.048 11 I CB 2.056 39.856 38.000 -0.334 0.000 1.239 11 I HN 1.011 nan 8.210 nan 0.000 0.421 12 G N 5.886 114.283 108.800 -0.672 0.000 2.690 12 G HA2 0.552 4.512 3.960 0.001 0.000 0.291 12 G HA3 0.552 4.512 3.960 0.001 0.000 0.291 12 G C -2.310 172.038 174.900 -0.920 0.000 1.403 12 G CA -0.497 44.241 45.100 -0.604 0.000 0.864 12 G HN 0.560 nan 8.290 nan 0.000 0.480 13 W N -0.103 120.873 121.300 -0.540 0.000 2.936 13 W HA 0.517 5.177 4.660 0.001 0.000 0.338 13 W C -0.737 175.367 176.519 -0.693 0.000 1.121 13 W CA -0.584 56.363 57.345 -0.663 0.000 1.209 13 W CB 2.542 31.415 29.460 -0.977 0.000 1.420 13 W HN 0.421 nan 8.180 nan 0.000 0.516 14 T N 1.257 115.676 114.554 -0.226 0.000 2.795 14 T HA 0.240 4.591 4.350 0.001 0.000 0.282 14 T C 1.264 175.775 174.700 -0.316 0.000 0.980 14 T CA 0.021 61.998 62.100 -0.205 0.000 1.012 14 T CB 1.720 70.556 68.868 -0.053 0.000 0.936 14 T HN 0.623 nan 8.240 nan 0.000 0.457 15 G N 2.339 110.737 108.800 -0.670 0.000 2.574 15 G HA2 -0.288 3.673 3.960 0.001 0.000 0.220 15 G HA3 -0.288 3.673 3.960 0.001 0.000 0.220 15 G C 1.728 176.522 174.900 -0.178 0.000 1.173 15 G CA 1.432 45.993 45.100 -0.899 0.000 0.772 15 G HN 0.773 nan 8.290 nan 0.000 0.585 16 S N -0.432 115.232 115.700 -0.059 0.000 2.555 16 S HA 0.434 4.904 4.470 0.001 0.000 0.230 16 S C 0.972 175.601 174.600 0.048 0.000 0.978 16 S CA 0.691 58.926 58.200 0.059 0.000 0.934 16 S CB -0.088 63.169 63.200 0.094 0.000 0.766 16 S HN 1.674 nan 8.310 nan 0.000 0.533 17 G N -1.046 107.765 108.800 0.018 0.000 2.351 17 G HA2 0.519 4.480 3.960 0.001 0.000 0.472 17 G HA3 0.519 4.480 3.960 0.001 0.000 0.472 17 G C 0.002 174.921 174.900 0.031 0.000 1.570 17 G CA -0.419 44.705 45.100 0.040 0.000 0.921 17 G HN 1.563 nan 8.290 nan 0.000 0.674 18 G N 0.445 109.277 108.800 0.053 0.000 2.750 18 G HA2 0.269 4.229 3.960 0.001 0.000 0.228 18 G HA3 0.269 4.229 3.960 0.001 0.000 0.228 18 G C 0.186 175.070 174.900 -0.027 0.000 1.367 18 G CA 0.706 45.823 45.100 0.028 0.000 0.871 18 G HN 1.925 nan 8.290 nan 0.000 0.560 19 E N 0.315 120.459 120.200 -0.094 0.000 2.461 19 E HA 0.323 4.673 4.350 0.001 0.000 0.263 19 E C 1.042 177.528 176.600 -0.191 0.000 1.143 19 E CA 0.450 56.728 56.400 -0.202 0.000 0.994 19 E CB 0.303 29.903 29.700 -0.167 0.000 0.973 19 E HN 0.764 nan 8.360 nan 0.000 0.457 20 Q N 0.743 120.392 119.800 -0.252 0.000 2.395 20 Q HA -0.064 4.276 4.340 0.001 0.000 0.271 20 Q C -0.659 175.236 176.000 -0.174 0.000 1.026 20 Q CA 0.379 56.071 55.803 -0.186 0.000 0.900 20 Q CB 0.504 29.153 28.738 -0.149 0.000 1.266 20 Q HN 0.443 nan 8.270 nan 0.000 0.430 21 Q N 1.580 121.255 119.800 -0.210 0.000 2.348 21 Q HA 0.474 4.814 4.340 0.001 0.000 0.271 21 Q C -1.417 174.138 176.000 -0.741 0.000 1.067 21 Q CA -0.836 54.763 55.803 -0.341 0.000 0.839 21 Q CB 2.337 30.954 28.738 -0.203 0.000 1.354 21 Q HN 0.672 nan 8.270 nan 0.000 0.447 22 c N 1.737 119.908 118.600 -0.715 0.000 2.411 22 c HA 0.613 5.183 4.570 0.001 0.000 0.330 22 c C -0.989 172.600 174.090 -0.835 0.000 1.224 22 c CA -0.708 55.148 56.329 -0.787 0.000 1.770 22 c CB -0.049 42.244 42.510 -0.362 0.000 2.297 22 c HN 0.629 nan 8.230 nan 0.000 0.507 23 F N 2.412 122.307 119.950 -0.092 0.000 2.388 23 F HA 0.578 5.105 4.527 0.001 0.000 0.358 23 F C 0.236 175.951 175.800 -0.141 0.000 1.122 23 F CA -0.423 57.471 58.000 -0.177 0.000 1.056 23 F CB 0.624 39.547 39.000 -0.128 0.000 1.155 23 F HN 0.508 nan 8.300 nan 0.000 0.461 24 Q N 2.289 122.044 119.800 -0.075 0.000 2.304 24 Q HA 0.746 5.086 4.340 0.001 0.000 0.270 24 Q C -1.021 174.881 176.000 -0.165 0.000 1.035 24 Q CA -0.968 54.783 55.803 -0.086 0.000 0.781 24 Q CB 2.137 30.808 28.738 -0.112 0.000 1.261 24 Q HN 0.843 nan 8.270 nan 0.000 0.444 25 A N 2.968 125.710 122.820 -0.131 0.000 2.524 25 A HA 0.226 4.546 4.320 0.001 0.000 0.250 25 A C 0.017 177.442 177.584 -0.264 0.000 1.078 25 A CA 0.122 52.047 52.037 -0.187 0.000 0.761 25 A CB 0.094 19.027 19.000 -0.112 0.000 1.012 25 A HN 0.749 nan 8.150 nan 0.000 0.500 26 T N 2.294 116.652 114.554 -0.326 0.000 2.831 26 T HA 0.416 4.766 4.350 0.001 0.000 0.291 26 T C 1.563 176.008 174.700 -0.424 0.000 0.981 26 T CA 1.319 63.199 62.100 -0.367 0.000 1.174 26 T CB 0.443 69.013 68.868 -0.497 0.000 0.929 26 T HN 1.943 nan 8.240 nan 0.000 0.532 27 G N 2.219 110.904 108.800 -0.191 0.000 2.284 27 G HA2 -0.074 3.887 3.960 0.001 0.000 0.216 27 G HA3 -0.074 3.887 3.960 0.001 0.000 0.216 27 G C 0.310 175.009 174.900 -0.335 0.000 1.009 27 G CA -0.166 44.921 45.100 -0.021 0.000 0.625 27 G HN 1.146 nan 8.290 nan 0.000 0.501 28 A N 0.308 122.783 122.820 -0.575 0.000 2.388 28 A HA 0.676 4.997 4.320 0.001 0.000 0.257 28 A C 0.962 178.027 177.584 -0.866 0.000 1.095 28 A CA 0.691 52.018 52.037 -1.183 0.000 0.791 28 A CB 0.387 18.925 19.000 -0.770 0.000 1.029 28 A HN 0.435 nan 8.150 nan 0.000 0.489 29 Q N 0.431 119.526 119.800 -1.176 0.000 2.320 29 Q HA 0.140 4.480 4.340 0.001 0.000 0.201 29 Q C 0.075 176.062 176.000 -0.022 0.000 0.910 29 Q CA 0.578 56.175 55.803 -0.343 0.000 0.946 29 Q CB 0.032 28.784 28.738 0.024 0.000 1.062 29 Q HN 0.878 nan 8.270 nan 0.000 0.503 30 S N -0.100 115.553 115.700 -0.078 0.000 2.661 30 S HA 0.612 5.082 4.470 0.001 0.000 0.268 30 S C -1.444 173.157 174.600 0.002 0.000 1.162 30 S CA -1.147 57.093 58.200 0.067 0.000 0.817 30 S CB 1.774 65.086 63.200 0.187 0.000 1.141 30 S HN 0.191 nan 8.310 nan 0.000 0.477 31 K N -0.412 119.963 120.400 -0.042 0.000 2.512 31 K HA 0.556 4.877 4.320 0.001 0.000 0.263 31 K C -1.949 174.574 176.600 -0.128 0.000 0.966 31 K CA -0.997 55.276 56.287 -0.023 0.000 0.851 31 K CB 0.911 33.418 32.500 0.012 0.000 1.395 31 K HN 0.574 nan 8.250 nan 0.000 0.440 32 Y N 2.314 122.667 120.300 0.088 0.000 2.531 32 Y HA 0.064 4.615 4.550 0.001 0.000 0.347 32 Y C 1.723 177.650 175.900 0.046 0.000 1.024 32 Y CA -0.048 58.099 58.100 0.079 0.000 1.306 32 Y CB 0.969 39.500 38.460 0.118 0.000 1.149 32 Y HN 0.702 nan 8.280 nan 0.000 0.527 33 R N 2.348 122.876 120.500 0.048 0.000 2.115 33 R HA -0.027 4.314 4.340 0.001 0.000 0.230 33 R C 0.351 176.653 176.300 0.003 0.000 1.111 33 R CA 0.480 56.584 56.100 0.007 0.000 0.976 33 R CB -0.114 30.156 30.300 -0.051 0.000 0.870 33 R HN 0.521 nan 8.270 nan 0.000 0.445 34 L N 2.847 124.098 121.223 0.046 0.000 2.660 34 L HA 0.003 4.343 4.340 0.001 0.000 0.272 34 L C 0.324 177.112 176.870 -0.135 0.000 1.194 34 L CA 1.592 56.432 54.840 0.001 0.000 0.945 34 L CB 0.121 42.230 42.059 0.083 0.000 1.212 34 L HN 0.850 nan 8.230 nan 0.000 0.490 35 G N 3.848 112.379 108.800 -0.449 0.000 2.305 35 G HA2 -0.341 3.619 3.960 0.001 0.000 0.287 35 G HA3 -0.341 3.619 3.960 0.001 0.000 0.287 35 G C 0.386 174.984 174.900 -0.503 0.000 1.036 35 G CA 0.780 45.186 45.100 -1.156 0.000 0.887 35 G HN 0.809 nan 8.290 nan 0.000 0.505 36 N N -0.186 118.361 118.700 -0.256 0.000 2.545 36 N HA 0.173 4.913 4.740 0.001 0.000 0.283 36 N C -0.559 174.883 175.510 -0.113 0.000 1.596 36 N CA -0.131 52.850 53.050 -0.115 0.000 0.862 36 N CB 0.610 39.108 38.487 0.019 0.000 1.422 36 N HN 0.557 nan 8.380 nan 0.000 0.489 37 E N -0.179 119.952 120.200 -0.116 0.000 2.191 37 E HA 0.341 4.691 4.350 0.001 0.000 0.263 37 E C -0.416 176.154 176.600 -0.049 0.000 0.881 37 E CA -0.525 55.840 56.400 -0.058 0.000 0.757 37 E CB 1.359 31.058 29.700 -0.001 0.000 1.147 37 E HN 0.199 nan 8.360 nan 0.000 0.414 38 c N 3.530 122.094 118.600 -0.061 0.000 2.668 38 c HA 0.162 4.733 4.570 0.001 0.000 0.301 38 c C 0.120 174.192 174.090 -0.029 0.000 1.351 38 c CA -0.286 56.004 56.329 -0.064 0.000 1.757 38 c CB -1.329 41.113 42.510 -0.114 0.000 2.179 38 c HN 0.620 nan 8.230 nan 0.000 0.586 39 E N -0.981 119.228 120.200 0.016 0.000 2.449 39 E HA 0.306 4.657 4.350 0.001 0.000 0.278 39 E C -1.458 175.204 176.600 0.103 0.000 0.992 39 E CA -0.380 56.050 56.400 0.050 0.000 0.807 39 E CB 0.866 30.605 29.700 0.064 0.000 1.350 39 E HN -0.066 nan 8.360 nan 0.000 0.462 40 T N 1.752 116.374 114.554 0.113 0.000 2.744 40 T HA 0.399 4.750 4.350 0.001 0.000 0.291 40 T C -1.373 173.467 174.700 0.234 0.000 0.957 40 T CA -0.246 61.934 62.100 0.133 0.000 1.002 40 T CB -0.224 68.683 68.868 0.066 0.000 0.919 40 T HN 0.371 nan 8.240 nan 0.000 0.468 41 Y N 2.451 122.844 120.300 0.155 0.000 2.425 41 Y HA 0.663 5.213 4.550 0.001 0.000 0.344 41 Y C -0.978 175.090 175.900 0.281 0.000 0.969 41 Y CA -1.118 57.115 58.100 0.222 0.000 1.052 41 Y CB 1.302 39.917 38.460 0.259 0.000 1.215 41 Y HN 0.744 nan 8.280 nan 0.000 0.451 42 A N 4.842 127.415 122.820 -0.413 0.000 2.520 42 A HA 0.665 4.985 4.320 0.001 0.000 0.298 42 A C -1.710 175.757 177.584 -0.196 0.000 1.051 42 A CA -0.860 51.090 52.037 -0.145 0.000 0.690 42 A CB 1.441 20.478 19.000 0.061 0.000 1.281 42 A HN 0.753 nan 8.150 nan 0.000 0.402 43 E N 1.810 122.015 120.200 0.008 0.000 2.185 43 E HA 0.465 4.815 4.350 0.001 0.000 0.261 43 E C -1.352 175.325 176.600 0.129 0.000 0.879 43 E CA -0.378 56.047 56.400 0.041 0.000 0.756 43 E CB 1.836 31.579 29.700 0.073 0.000 1.152 43 E HN 0.556 nan 8.360 nan 0.000 0.416 44 L N 3.885 125.243 121.223 0.225 0.000 2.277 44 L HA 0.414 4.755 4.340 0.001 0.000 0.284 44 L C -0.164 176.836 176.870 0.216 0.000 1.028 44 L CA -0.553 54.494 54.840 0.345 0.000 0.835 44 L CB 0.572 42.926 42.059 0.491 0.000 1.215 44 L HN 0.267 nan 8.230 nan 0.000 0.425 45 K N 5.036 125.509 120.400 0.120 0.000 2.185 45 K HA 0.687 5.008 4.320 0.001 0.000 0.269 45 K C -0.979 175.736 176.600 0.193 0.000 0.987 45 K CA -0.469 55.852 56.287 0.056 0.000 0.865 45 K CB 2.145 34.607 32.500 -0.064 0.000 1.090 45 K HN 0.454 nan 8.250 nan 0.000 0.450 46 L N 2.221 123.517 121.223 0.122 0.000 2.376 46 L HA 0.572 4.913 4.340 0.001 0.000 0.275 46 L C 0.080 176.937 176.870 -0.021 0.000 0.987 46 L CA -0.625 54.295 54.840 0.134 0.000 0.828 46 L CB 1.987 44.126 42.059 0.133 0.000 1.249 46 L HN 0.817 nan 8.230 nan 0.000 0.409 47 G N 2.054 110.861 108.800 0.011 0.000 2.949 47 G HA2 0.725 4.686 3.960 0.001 0.000 0.285 47 G HA3 0.725 4.686 3.960 0.001 0.000 0.285 47 G C -1.952 172.859 174.900 -0.149 0.000 1.395 47 G CA -0.314 44.692 45.100 -0.157 0.000 0.901 47 G HN 0.437 nan 8.290 nan 0.000 0.519 48 Q N -0.948 118.547 119.800 -0.507 0.000 2.503 48 Q HA 0.258 4.598 4.340 0.001 0.000 0.268 48 Q C -1.699 174.009 176.000 -0.485 0.000 0.982 48 Q CA -0.586 55.039 55.803 -0.297 0.000 0.907 48 Q CB 2.330 31.054 28.738 -0.022 0.000 1.467 48 Q HN 0.611 nan 8.270 nan 0.000 0.394 49 E N 2.580 122.744 120.200 -0.059 0.000 1.941 49 E HA 0.171 4.522 4.350 0.001 0.000 0.275 49 E C 0.629 177.318 176.600 0.149 0.000 1.113 49 E CA -0.113 56.388 56.400 0.168 0.000 0.878 49 E CB 0.595 30.481 29.700 0.310 0.000 1.070 49 E HN 0.518 nan 8.360 nan 0.000 0.399 50 V N 2.532 122.546 119.914 0.166 0.000 3.380 50 V HA 0.177 4.297 4.120 0.001 0.000 0.268 50 V C 0.145 176.433 176.094 0.323 0.000 1.168 50 V CA 0.012 62.419 62.300 0.178 0.000 1.156 50 V CB -1.130 30.746 31.823 0.089 0.000 0.785 50 V HN 0.657 nan 8.190 nan 0.000 0.487 51 W N 0.006 121.397 121.300 0.151 0.000 3.645 51 W HA 0.612 5.272 4.660 0.001 0.000 0.285 51 W C -1.324 175.308 176.519 0.188 0.000 1.266 51 W CA -0.850 56.593 57.345 0.164 0.000 1.212 51 W CB 1.161 30.743 29.460 0.204 0.000 1.306 51 W HN -0.122 nan 8.180 nan 0.000 0.552 52 K N 4.078 124.234 120.400 -0.407 0.000 2.550 52 K HA 0.339 4.659 4.320 0.001 0.000 0.252 52 K C -1.795 174.277 176.600 -0.878 0.000 0.943 52 K CA -0.509 55.499 56.287 -0.465 0.000 0.806 52 K CB 2.089 34.491 32.500 -0.163 0.000 1.289 52 K HN 0.560 nan 8.250 nan 0.000 0.435 53 E N 3.304 122.985 120.200 -0.865 0.000 2.649 53 E HA 0.324 4.674 4.350 0.001 0.000 0.310 53 E C -0.029 176.394 176.600 -0.295 0.000 1.036 53 E CA 0.269 56.286 56.400 -0.638 0.000 0.772 53 E CB 0.736 29.926 29.700 -0.849 0.000 1.513 53 E HN 0.935 nan 8.360 nan 0.000 0.384 54 G N 3.993 112.681 108.800 -0.187 0.000 2.552 54 G HA2 -0.310 3.650 3.960 0.001 0.000 0.267 54 G HA3 -0.310 3.650 3.960 0.001 0.000 0.267 54 G C 0.446 175.300 174.900 -0.077 0.000 1.174 54 G CA 0.271 45.314 45.100 -0.096 0.000 0.955 54 G HN 0.577 nan 8.290 nan 0.000 0.546 55 D N 1.827 122.200 120.400 -0.045 0.000 2.360 55 D HA 0.127 4.768 4.640 0.001 0.000 0.210 55 D C 0.858 177.146 176.300 -0.021 0.000 1.047 55 D CA 0.557 54.538 54.000 -0.031 0.000 0.854 55 D CB 0.321 41.109 40.800 -0.020 0.000 0.936 55 D HN 0.410 nan 8.370 nan 0.000 0.514 56 K N 0.846 121.242 120.400 -0.008 0.000 2.143 56 K HA 0.425 4.746 4.320 0.001 0.000 0.272 56 K C 0.125 176.783 176.600 0.097 0.000 1.001 56 K CA -0.342 55.986 56.287 0.069 0.000 0.915 56 K CB 1.774 34.416 32.500 0.235 0.000 1.047 56 K HN -0.088 nan 8.250 nan 0.000 0.458 57 S N 1.044 116.819 115.700 0.124 0.000 2.587 57 S HA 0.598 5.069 4.470 0.001 0.000 0.269 57 S C -1.491 173.167 174.600 0.095 0.000 1.154 57 S CA -1.061 57.291 58.200 0.254 0.000 0.824 57 S CB 0.630 63.920 63.200 0.151 0.000 1.118 57 S HN 0.365 nan 8.310 nan 0.000 0.462 58 F N 1.225 121.401 119.950 0.377 0.000 2.518 58 F HA 0.592 5.119 4.527 0.001 0.000 0.323 58 F C -0.801 175.169 175.800 0.284 0.000 1.129 58 F CA -0.574 57.590 58.000 0.273 0.000 0.920 58 F CB 1.778 40.893 39.000 0.191 0.000 1.160 58 F HN 0.775 nan 8.300 nan 0.000 0.440 59 Y N 4.338 124.827 120.300 0.315 0.000 2.364 59 Y HA 0.559 5.110 4.550 0.001 0.000 0.340 59 Y C -1.469 174.609 175.900 0.298 0.000 0.975 59 Y CA -1.471 56.778 58.100 0.248 0.000 1.089 59 Y CB 1.207 39.746 38.460 0.132 0.000 1.192 59 Y HN 0.479 nan 8.280 nan 0.000 0.454 60 F N 5.925 125.660 119.950 -0.358 0.000 2.436 60 F HA 0.539 5.067 4.527 0.001 0.000 0.340 60 F C -1.260 174.396 175.800 -0.239 0.000 1.113 60 F CA -0.741 57.155 58.000 -0.173 0.000 1.022 60 F CB 1.070 39.985 39.000 -0.142 0.000 1.128 60 F HN 0.557 nan 8.300 nan 0.000 0.466 61 D N 2.746 122.792 120.400 -0.591 0.000 2.732 61 D HA 0.530 5.170 4.640 0.001 0.000 0.229 61 D C -1.107 174.794 176.300 -0.666 0.000 1.152 61 D CA -0.030 53.677 54.000 -0.488 0.000 0.854 61 D CB 2.354 43.130 40.800 -0.039 0.000 1.590 61 D HN 0.717 nan 8.370 nan 0.000 0.468 62 T N -0.054 114.191 114.554 -0.516 0.000 2.838 62 T HA 0.681 5.032 4.350 0.001 0.000 0.292 62 T C -0.965 173.541 174.700 -0.325 0.000 1.113 62 T CA -0.989 60.857 62.100 -0.424 0.000 1.008 62 T CB 1.458 70.169 68.868 -0.262 0.000 1.259 62 T HN 0.407 nan 8.240 nan 0.000 0.520 63 N N 0.031 118.514 118.700 -0.362 0.000 2.648 63 N HA 0.463 5.203 4.740 0.001 0.000 0.272 63 N C -2.142 173.236 175.510 -0.220 0.000 1.118 63 N CA -0.622 52.249 53.050 -0.299 0.000 0.973 63 N CB 1.807 39.988 38.487 -0.509 0.000 1.565 63 N HN 0.556 nan 8.380 nan 0.000 0.542 64 V N 2.198 122.089 119.914 -0.039 0.000 2.378 64 V HA 0.755 4.875 4.120 0.001 0.000 0.288 64 V C -0.017 175.991 176.094 -0.143 0.000 1.016 64 V CA -0.563 61.718 62.300 -0.032 0.000 0.840 64 V CB 1.036 32.905 31.823 0.077 0.000 0.994 64 V HN 0.758 nan 8.190 nan 0.000 0.431 65 A N 4.965 127.644 122.820 -0.235 0.000 2.312 65 A HA 0.897 5.218 4.320 0.001 0.000 0.326 65 A C -1.397 175.969 177.584 -0.363 0.000 1.172 65 A CA -0.367 51.552 52.037 -0.196 0.000 0.821 65 A CB 0.736 19.735 19.000 -0.002 0.000 1.166 65 A HN 0.733 nan 8.150 nan 0.000 0.493 66 Y N 0.326 120.567 120.300 -0.097 0.000 2.406 66 Y HA 0.609 5.160 4.550 0.001 0.000 0.340 66 Y C 0.385 176.296 175.900 0.018 0.000 0.975 66 Y CA -0.440 57.645 58.100 -0.026 0.000 1.056 66 Y CB 2.592 41.029 38.460 -0.038 0.000 1.210 66 Y HN 0.573 nan 8.280 nan 0.000 0.448 67 S N 3.251 119.106 115.700 0.259 0.000 2.707 67 S HA 0.793 5.264 4.470 0.001 0.000 0.303 67 S C -1.288 173.413 174.600 0.168 0.000 1.132 67 S CA -0.546 57.826 58.200 0.286 0.000 1.046 67 S CB 0.184 63.573 63.200 0.314 0.000 1.004 67 S HN 0.646 nan 8.310 nan 0.000 0.483 68 V N 2.992 122.984 119.914 0.131 0.000 3.040 68 V HA 0.675 4.795 4.120 0.001 0.000 0.312 68 V C 0.219 176.344 176.094 0.052 0.000 1.115 68 V CA -0.987 61.354 62.300 0.069 0.000 0.998 68 V CB 1.976 33.816 31.823 0.028 0.000 1.042 68 V HN 0.725 nan 8.190 nan 0.000 0.433 69 N N 1.281 119.997 118.700 0.026 0.000 2.449 69 N HA -0.015 4.726 4.740 0.001 0.000 0.191 69 N C 0.867 176.371 175.510 -0.009 0.000 1.161 69 N CA 0.884 53.938 53.050 0.008 0.000 0.863 69 N CB -0.125 38.361 38.487 -0.002 0.000 0.980 69 N HN 1.048 nan 8.380 nan 0.000 0.458 70 Q N 0.286 120.083 119.800 -0.005 0.000 2.423 70 Q HA -0.278 4.062 4.340 0.001 0.000 0.332 70 Q C -0.078 175.897 176.000 -0.041 0.000 1.355 70 Q CA 0.958 56.748 55.803 -0.022 0.000 0.947 70 Q CB -2.423 26.302 28.738 -0.022 0.000 1.189 70 Q HN 0.619 nan 8.270 nan 0.000 0.418 71 Q N -0.870 118.913 119.800 -0.027 0.000 2.164 71 Q HA 0.399 4.739 4.340 0.001 0.000 0.226 71 Q C -0.233 175.762 176.000 -0.009 0.000 0.813 71 Q CA -0.360 55.424 55.803 -0.032 0.000 0.978 71 Q CB 0.779 29.500 28.738 -0.029 0.000 1.149 71 Q HN 0.407 nan 8.270 nan 0.000 0.489 72 N N 0.009 118.713 118.700 0.006 0.000 3.185 72 N HA -0.008 4.732 4.740 0.001 0.000 0.238 72 N C -0.781 174.752 175.510 0.038 0.000 1.451 72 N CA -0.195 52.874 53.050 0.033 0.000 0.888 72 N CB 1.693 40.218 38.487 0.063 0.000 1.413 72 N HN 0.021 nan 8.380 nan 0.000 0.511 73 D N -0.100 120.340 120.400 0.067 0.000 2.083 73 D HA -0.106 4.535 4.640 0.001 0.000 0.199 73 D C 0.138 176.496 176.300 0.096 0.000 0.980 73 D CA 1.058 55.101 54.000 0.073 0.000 0.851 73 D CB -0.011 40.846 40.800 0.096 0.000 0.997 73 D HN 0.422 nan 8.370 nan 0.000 0.449 74 W N 2.574 123.869 121.300 -0.009 0.000 2.585 74 W HA 0.256 4.917 4.660 0.001 0.000 0.337 74 W C -0.976 175.544 176.519 0.001 0.000 1.226 74 W CA -0.026 57.316 57.345 -0.005 0.000 1.463 74 W CB -0.259 29.199 29.460 -0.004 0.000 1.458 74 W HN 0.116 nan 8.180 nan 0.000 0.458 75 E N 4.242 124.285 120.200 -0.262 0.000 2.235 75 E HA 0.157 4.508 4.350 0.001 0.000 0.252 75 E C -0.326 176.114 176.600 -0.266 0.000 0.886 75 E CA -0.395 55.922 56.400 -0.139 0.000 0.767 75 E CB 1.628 31.289 29.700 -0.064 0.000 1.205 75 E HN 0.076 nan 8.360 nan 0.000 0.421 76 S N 1.555 117.160 115.700 -0.158 0.000 2.585 76 S HA 0.379 4.850 4.470 0.001 0.000 0.273 76 S C 0.136 174.725 174.600 -0.019 0.000 1.339 76 S CA -0.005 58.133 58.200 -0.102 0.000 1.028 76 S CB 1.338 64.596 63.200 0.096 0.000 0.906 76 S HN 0.527 nan 8.310 nan 0.000 0.528 77 T N 0.684 115.242 114.554 0.007 0.000 2.769 77 T HA 0.262 4.612 4.350 0.001 0.000 0.306 77 T C -2.327 172.403 174.700 0.049 0.000 1.400 77 T CA -0.760 61.367 62.100 0.046 0.000 1.007 77 T CB 1.267 70.184 68.868 0.082 0.000 1.392 77 T HN 0.470 nan 8.240 nan 0.000 0.500 78 D N 3.689 124.110 120.400 0.036 0.000 2.460 78 D HA 0.352 4.993 4.640 0.001 0.000 0.232 78 D C -1.947 174.338 176.300 -0.024 0.000 1.079 78 D CA -0.929 53.078 54.000 0.011 0.000 0.864 78 D CB 1.591 42.397 40.800 0.009 0.000 1.048 78 D HN 0.393 nan 8.370 nan 0.000 0.523 79 P HA 0.192 nan 4.420 nan 0.000 0.272 79 P C -0.918 176.292 177.300 -0.149 0.000 1.223 79 P CA -0.489 62.448 63.100 -0.272 0.000 0.784 79 P CB 1.101 32.474 31.700 -0.545 0.000 0.923 80 A N 2.587 125.323 122.820 -0.140 0.000 2.260 80 A HA 0.378 4.698 4.320 0.001 0.000 0.314 80 A C -0.732 176.858 177.584 0.011 0.000 1.257 80 A CA -0.560 51.459 52.037 -0.030 0.000 0.871 80 A CB -0.138 18.863 19.000 0.002 0.000 1.166 80 A HN 0.464 nan 8.150 nan 0.000 0.522 81 F N 3.686 123.567 119.950 -0.116 0.000 2.462 81 F HA 0.288 4.815 4.527 0.001 0.000 0.354 81 F C 1.239 176.976 175.800 -0.106 0.000 1.192 81 F CA -0.704 57.227 58.000 -0.113 0.000 1.173 81 F CB 0.307 39.258 39.000 -0.081 0.000 1.402 81 F HN 0.749 nan 8.300 nan 0.000 0.595 82 R N 2.097 122.407 120.500 -0.316 0.000 2.127 82 R HA 0.113 4.453 4.340 0.001 0.000 0.217 82 R C -0.123 175.842 176.300 -0.558 0.000 1.074 82 R CA 0.678 56.570 56.100 -0.347 0.000 0.991 82 R CB 0.231 30.394 30.300 -0.228 0.000 0.895 82 R HN 0.496 nan 8.270 nan 0.000 0.450 83 E N -0.636 119.106 120.200 -0.763 0.000 2.340 83 E HA 0.611 4.961 4.350 0.001 0.000 0.273 83 E C -1.549 174.620 176.600 -0.720 0.000 0.891 83 E CA -0.748 55.247 56.400 -0.675 0.000 0.757 83 E CB 2.472 31.765 29.700 -0.678 0.000 1.231 83 E HN 0.133 nan 8.360 nan 0.000 0.439 84 A N 2.830 125.399 122.820 -0.419 0.000 2.480 84 A HA 0.339 4.659 4.320 0.001 0.000 0.302 84 A C -1.399 176.190 177.584 0.009 0.000 1.151 84 A CA -0.838 51.079 52.037 -0.200 0.000 0.907 84 A CB -0.342 18.592 19.000 -0.109 0.000 1.487 84 A HN 0.718 nan 8.150 nan 0.000 0.396 85 N N -0.641 118.089 118.700 0.050 0.000 2.525 85 N HA 0.772 5.512 4.740 0.001 0.000 0.270 85 N C -1.328 174.353 175.510 0.286 0.000 1.321 85 N CA -0.896 52.265 53.050 0.185 0.000 0.797 85 N CB 2.124 40.719 38.487 0.179 0.000 1.529 85 N HN 0.193 nan 8.380 nan 0.000 0.491 86 V N 0.176 120.282 119.914 0.320 0.000 2.604 86 V HA 0.464 4.585 4.120 0.001 0.000 0.305 86 V C -0.906 175.403 176.094 0.358 0.000 1.043 86 V CA -0.544 61.969 62.300 0.355 0.000 0.888 86 V CB 1.502 33.505 31.823 0.299 0.000 0.995 86 V HN 0.690 nan 8.190 nan 0.000 0.429 87 Q N 2.207 122.219 119.800 0.353 0.000 2.321 87 Q HA 0.651 4.991 4.340 0.001 0.000 0.270 87 Q C -0.059 176.047 176.000 0.177 0.000 1.032 87 Q CA -0.488 55.482 55.803 0.279 0.000 0.784 87 Q CB 2.458 31.317 28.738 0.200 0.000 1.264 87 Q HN 0.927 nan 8.270 nan 0.000 0.448 88 G N 2.347 111.162 108.800 0.026 0.000 2.437 88 G HA2 0.481 4.442 3.960 0.001 0.000 0.315 88 G HA3 0.481 4.442 3.960 0.001 0.000 0.315 88 G C -0.752 174.015 174.900 -0.223 0.000 1.210 88 G CA -0.548 44.337 45.100 -0.358 0.000 0.943 88 G HN 0.278 nan 8.290 nan 0.000 0.471 89 K N 2.253 122.538 120.400 -0.192 0.000 2.172 89 K HA 0.324 4.644 4.320 0.001 0.000 0.276 89 K C 0.663 177.195 176.600 -0.113 0.000 1.013 89 K CA -0.675 55.548 56.287 -0.108 0.000 0.913 89 K CB 0.832 33.295 32.500 -0.060 0.000 1.055 89 K HN 0.456 nan 8.250 nan 0.000 0.461 90 N N 1.798 120.443 118.700 -0.093 0.000 2.747 90 N HA -0.202 4.539 4.740 0.001 0.000 0.249 90 N C 0.004 175.471 175.510 -0.072 0.000 1.107 90 N CA 0.544 53.548 53.050 -0.076 0.000 0.707 90 N CB -0.923 37.538 38.487 -0.043 0.000 1.054 90 N HN 0.540 nan 8.380 nan 0.000 0.555 91 L N -0.610 120.547 121.223 -0.110 0.000 2.270 91 L HA 0.098 4.439 4.340 0.001 0.000 0.210 91 L C 0.862 177.688 176.870 -0.074 0.000 1.104 91 L CA 0.683 55.474 54.840 -0.082 0.000 0.804 91 L CB 0.001 41.987 42.059 -0.121 0.000 0.937 91 L HN 0.106 nan 8.230 nan 0.000 0.450 92 I N 0.751 121.230 120.570 -0.153 0.000 2.281 92 I HA 0.077 4.247 4.170 0.001 0.000 0.293 92 I C 1.046 177.011 176.117 -0.253 0.000 1.085 92 I CA 0.000 61.139 61.300 -0.269 0.000 1.257 92 I CB 0.773 38.464 38.000 -0.515 0.000 1.430 92 I HN 0.060 nan 8.210 nan 0.000 0.489 93 E N 6.055 126.212 120.200 -0.072 0.000 2.086 93 E HA -0.215 4.136 4.350 0.001 0.000 0.200 93 E C 1.709 178.349 176.600 0.067 0.000 1.012 93 E CA 2.020 58.445 56.400 0.041 0.000 0.812 93 E CB -0.076 29.716 29.700 0.154 0.000 0.743 93 E HN 0.792 nan 8.360 nan 0.000 0.453 94 W N -0.292 121.013 121.300 0.008 0.000 3.077 94 W HA 0.182 4.842 4.660 0.001 0.000 0.245 94 W C -0.132 176.390 176.519 0.004 0.000 1.316 94 W CA 0.195 57.544 57.345 0.007 0.000 1.537 94 W CB -0.424 29.040 29.460 0.008 0.000 1.131 94 W HN -0.058 nan 8.180 nan 0.000 0.695 95 L N 3.676 124.682 121.223 -0.362 0.000 2.732 95 L HA 0.298 4.638 4.340 0.001 0.000 0.246 95 L C -2.089 174.662 176.870 -0.200 0.000 1.407 95 L CA -1.748 52.905 54.840 -0.312 0.000 0.861 95 L CB 0.589 42.321 42.059 -0.545 0.000 1.161 95 L HN -0.448 nan 8.230 nan 0.000 0.510 96 P HA 0.008 nan 4.420 nan 0.000 0.262 96 P C 0.962 178.217 177.300 -0.074 0.000 1.182 96 P CA 1.257 64.315 63.100 -0.071 0.000 0.761 96 P CB 1.335 33.018 31.700 -0.029 0.000 0.795 97 G N 2.248 111.005 108.800 -0.071 0.000 2.284 97 G HA2 -0.275 3.686 3.960 0.001 0.000 0.247 97 G HA3 -0.275 3.686 3.960 0.001 0.000 0.247 97 G C 0.385 175.241 174.900 -0.074 0.000 1.012 97 G CA 0.366 45.426 45.100 -0.066 0.000 0.618 97 G HN 0.901 nan 8.290 nan 0.000 0.521 98 S N 0.073 115.717 115.700 -0.093 0.000 2.579 98 S HA 0.576 5.047 4.470 0.001 0.000 0.275 98 S C 0.017 174.577 174.600 -0.067 0.000 1.345 98 S CA 0.909 59.057 58.200 -0.085 0.000 1.031 98 S CB 1.745 64.865 63.200 -0.132 0.000 0.892 98 S HN 0.704 nan 8.310 nan 0.000 0.529 99 T N 2.723 117.267 114.554 -0.016 0.000 2.812 99 T HA 0.534 4.884 4.350 0.001 0.000 0.282 99 T C 0.020 174.781 174.700 0.102 0.000 0.990 99 T CA -0.644 61.470 62.100 0.024 0.000 0.960 99 T CB 0.496 69.390 68.868 0.043 0.000 0.948 99 T HN 0.726 nan 8.240 nan 0.000 0.438 100 I N 1.202 121.810 120.570 0.064 0.000 2.437 100 I HA 0.884 5.054 4.170 0.001 0.000 0.298 100 I C -0.643 175.581 176.117 0.179 0.000 0.984 100 I CA -0.883 60.449 61.300 0.053 0.000 1.214 100 I CB 1.407 39.380 38.000 -0.045 0.000 1.365 100 I HN 0.693 nan 8.210 nan 0.000 0.469 101 W N 3.997 125.288 121.300 -0.015 0.000 3.075 101 W HA 0.881 5.541 4.660 0.001 0.000 0.334 101 W C -1.890 174.622 176.519 -0.011 0.000 1.243 101 W CA -1.503 55.847 57.345 0.009 0.000 1.170 101 W CB 1.205 30.673 29.460 0.014 0.000 1.452 101 W HN 0.859 nan 8.180 nan 0.000 0.572 102 A N 1.364 124.271 122.820 0.145 0.000 2.566 102 A HA 0.879 5.199 4.320 0.001 0.000 0.297 102 A C -0.250 177.445 177.584 0.185 0.000 1.059 102 A CA 0.043 52.042 52.037 -0.062 0.000 0.691 102 A CB 1.026 19.962 19.000 -0.108 0.000 1.282 102 A HN 2.374 nan 8.150 nan 0.000 0.401 103 G N 0.644 109.532 108.800 0.147 0.000 2.354 103 G HA2 0.229 4.190 3.960 0.001 0.000 0.582 103 G HA3 0.229 4.190 3.960 0.001 0.000 0.582 103 G C -1.101 173.904 174.900 0.175 0.000 1.316 103 G CA -0.856 44.334 45.100 0.151 0.000 0.995 103 G HN 0.807 nan 8.290 nan 0.000 0.573 104 K N 0.275 120.704 120.400 0.049 0.000 2.368 104 K HA 0.502 4.823 4.320 0.001 0.000 0.282 104 K C 0.443 177.005 176.600 -0.064 0.000 1.035 104 K CA 0.035 56.309 56.287 -0.020 0.000 0.973 104 K CB 1.230 33.647 32.500 -0.139 0.000 0.957 104 K HN 0.696 nan 8.250 nan 0.000 0.474 105 R N 2.658 123.133 120.500 -0.042 0.000 2.629 105 R HA 0.208 4.548 4.340 0.001 0.000 0.266 105 R C -1.393 174.894 176.300 -0.021 0.000 1.051 105 R CA -0.689 55.321 56.100 -0.150 0.000 0.895 105 R CB 0.830 30.956 30.300 -0.290 0.000 1.246 105 R HN 0.298 nan 8.270 nan 0.000 0.459 106 F N 4.070 123.880 119.950 -0.234 0.000 2.509 106 F HA 0.162 4.689 4.527 0.001 0.000 0.350 106 F C -0.183 175.464 175.800 -0.255 0.000 1.220 106 F CA -0.536 57.324 58.000 -0.234 0.000 1.151 106 F CB -0.279 38.572 39.000 -0.248 0.000 1.379 106 F HN 0.349 nan 8.300 nan 0.000 0.610 107 Y N 3.905 124.082 120.300 -0.205 0.000 2.452 107 Y HA 0.188 4.738 4.550 0.001 0.000 0.348 107 Y C 0.770 176.478 175.900 -0.320 0.000 0.985 107 Y CA -0.763 57.135 58.100 -0.337 0.000 1.214 107 Y CB 0.157 38.434 38.460 -0.305 0.000 1.136 107 Y HN 0.609 nan 8.280 nan 0.000 0.523 108 Q N 4.366 123.687 119.800 -0.798 0.000 2.413 108 Q HA -0.313 4.028 4.340 0.001 0.000 0.364 108 Q C -0.436 175.279 176.000 -0.476 0.000 1.359 108 Q CA 0.722 56.085 55.803 -0.733 0.000 1.097 108 Q CB -0.782 27.346 28.738 -1.016 0.000 1.286 108 Q HN 0.696 nan 8.270 nan 0.000 0.358 109 R N 1.242 121.534 120.500 -0.346 0.000 2.438 109 R HA 0.280 4.621 4.340 0.001 0.000 0.287 109 R C -0.093 176.091 176.300 -0.194 0.000 1.077 109 R CA -0.172 55.799 56.100 -0.214 0.000 1.034 109 R CB 0.708 30.894 30.300 -0.189 0.000 0.993 109 R HN 0.307 nan 8.270 nan 0.000 0.459 110 H N 2.268 121.115 119.070 -0.370 0.000 2.505 110 H HA 0.183 4.740 4.556 0.001 0.000 0.338 110 H C -0.579 174.249 175.328 -0.832 0.000 1.057 110 H CA -0.754 54.952 56.048 -0.570 0.000 1.202 110 H CB 1.705 31.050 29.762 -0.695 0.000 1.466 110 H HN 0.716 nan 8.280 nan 0.000 0.499 111 D N 1.548 121.657 120.400 -0.484 0.000 2.610 111 D HA 0.235 4.875 4.640 0.001 0.000 0.271 111 D C -0.967 175.269 176.300 -0.107 0.000 1.174 111 D CA -0.793 52.924 54.000 -0.472 0.000 0.949 111 D CB 1.793 41.949 40.800 -1.074 0.000 1.430 111 D HN 0.166 nan 8.370 nan 0.000 0.467 112 V N 1.553 121.399 119.914 -0.114 0.000 2.326 112 V HA 0.104 4.224 4.120 0.001 0.000 0.281 112 V C 1.151 177.227 176.094 -0.029 0.000 1.015 112 V CA -0.524 61.699 62.300 -0.128 0.000 0.823 112 V CB 0.572 32.283 31.823 -0.186 0.000 1.009 112 V HN 0.768 nan 8.190 nan 0.000 0.436 113 H N 5.820 124.919 119.070 0.048 0.000 2.289 113 H HA -0.262 4.294 4.556 0.001 0.000 0.294 113 H C 2.111 177.473 175.328 0.058 0.000 1.095 113 H CA 3.107 59.208 56.048 0.088 0.000 1.256 113 H CB 0.126 30.055 29.762 0.278 0.000 1.359 113 H HN 0.683 nan 8.280 nan 0.000 0.487 114 M N 0.109 119.682 119.600 -0.045 0.000 2.267 114 M HA -0.077 4.404 4.480 0.001 0.000 0.263 114 M C 1.616 177.825 176.300 -0.153 0.000 1.063 114 M CA 2.225 57.481 55.300 -0.072 0.000 1.090 114 M CB -0.411 32.257 32.600 0.113 0.000 1.392 114 M HN 0.517 nan 8.290 nan 0.000 0.422 115 I N -3.361 117.090 120.570 -0.198 0.000 4.082 115 I HA 0.330 4.500 4.170 0.001 0.000 0.337 115 I C -0.144 175.903 176.117 -0.117 0.000 1.352 115 I CA -0.275 60.867 61.300 -0.264 0.000 1.097 115 I CB -0.122 37.640 38.000 -0.396 0.000 1.048 115 I HN 0.080 nan 8.210 nan 0.000 0.393 116 D N 2.218 122.527 120.400 -0.151 0.000 2.686 116 D HA -0.294 4.347 4.640 0.001 0.000 0.235 116 D C -0.719 175.555 176.300 -0.043 0.000 1.160 116 D CA 0.771 54.683 54.000 -0.146 0.000 0.645 116 D CB -1.168 39.568 40.800 -0.107 0.000 1.039 116 D HN 0.540 nan 8.370 nan 0.000 0.423 117 F N 1.352 121.171 119.950 -0.218 0.000 2.411 117 F HA 0.475 5.003 4.527 0.001 0.000 0.352 117 F C -0.868 174.832 175.800 -0.168 0.000 1.123 117 F CA -0.880 57.063 58.000 -0.095 0.000 1.044 117 F CB 0.685 39.669 39.000 -0.028 0.000 1.135 117 F HN -0.130 nan 8.300 nan 0.000 0.461 118 Y N 6.480 126.411 120.300 -0.615 0.000 2.341 118 Y HA 0.187 4.737 4.550 0.001 0.000 0.340 118 Y C 0.206 175.678 175.900 -0.713 0.000 0.997 118 Y CA -0.305 57.475 58.100 -0.534 0.000 1.149 118 Y CB 0.609 38.810 38.460 -0.432 0.000 1.171 118 Y HN 0.651 nan 8.280 nan 0.000 0.494 119 Y N -0.571 119.550 120.300 -0.298 0.000 2.467 119 Y HA 0.319 4.870 4.550 0.001 0.000 0.250 119 Y C -0.463 175.459 175.900 0.037 0.000 1.155 119 Y CA -1.043 56.947 58.100 -0.183 0.000 1.249 119 Y CB 0.483 38.961 38.460 0.030 0.000 1.146 119 Y HN 0.488 nan 8.280 nan 0.000 0.524 120 W N 2.697 123.791 121.300 -0.343 0.000 2.680 120 W HA 0.429 5.090 4.660 0.001 0.000 0.305 120 W C -2.165 174.226 176.519 -0.214 0.000 1.033 120 W CA -1.676 55.511 57.345 -0.263 0.000 1.242 120 W CB 1.180 30.390 29.460 -0.416 0.000 1.138 120 W HN 0.121 nan 8.180 nan 0.000 0.358 121 D N 4.953 125.382 120.400 0.047 0.000 2.323 121 D HA 0.225 4.866 4.640 0.001 0.000 0.242 121 D C 0.213 176.459 176.300 -0.091 0.000 1.347 121 D CA -0.235 53.693 54.000 -0.120 0.000 0.988 121 D CB 0.342 41.002 40.800 -0.233 0.000 1.314 121 D HN 0.318 nan 8.370 nan 0.000 0.564 122 I N 0.114 120.646 120.570 -0.065 0.000 3.884 122 I HA 0.385 4.556 4.170 0.001 0.000 0.330 122 I C -0.001 176.094 176.117 -0.037 0.000 1.451 122 I CA -0.577 60.701 61.300 -0.037 0.000 1.165 122 I CB 0.234 38.236 38.000 0.002 0.000 1.097 122 I HN -0.019 nan 8.210 nan 0.000 0.404 123 S N 1.950 117.613 115.700 -0.062 0.000 2.559 123 S HA 0.536 5.006 4.470 0.001 0.000 0.282 123 S C 0.620 175.218 174.600 -0.004 0.000 1.336 123 S CA 0.584 58.780 58.200 -0.007 0.000 1.037 123 S CB 0.750 63.935 63.200 -0.026 0.000 0.853 123 S HN 0.889 nan 8.310 nan 0.000 0.523 124 G N 1.841 110.661 108.800 0.034 0.000 2.340 124 G HA2 0.224 4.184 3.960 0.001 0.000 0.282 124 G HA3 0.224 4.184 3.960 0.001 0.000 0.282 124 G C -3.641 171.270 174.900 0.019 0.000 1.312 124 G CA -1.160 43.942 45.100 0.003 0.000 0.942 124 G HN 0.470 nan 8.290 nan 0.000 0.495 125 P HA 0.505 nan 4.420 nan 0.000 0.267 125 P C 0.492 177.788 177.300 -0.006 0.000 1.205 125 P CA 1.238 64.338 63.100 -0.001 0.000 0.765 125 P CB 1.264 32.944 31.700 -0.033 0.000 0.828 126 G N 0.892 109.704 108.800 0.020 0.000 2.490 126 G HA2 0.715 4.676 3.960 0.001 0.000 0.308 126 G HA3 0.715 4.676 3.960 0.001 0.000 0.308 126 G C -2.076 172.541 174.900 -0.472 0.000 1.286 126 G CA -0.068 44.956 45.100 -0.127 0.000 0.825 126 G HN 0.584 nan 8.290 nan 0.000 0.479 127 A N -2.172 120.093 122.820 -0.926 0.000 2.586 127 A HA 1.113 5.434 4.320 0.001 0.000 0.291 127 A C -0.135 176.639 177.584 -1.350 0.000 1.062 127 A CA 0.422 51.621 52.037 -1.397 0.000 0.666 127 A CB 1.324 19.920 19.000 -0.673 0.000 1.281 127 A HN 2.666 nan 8.150 nan 0.000 0.421 128 G N -1.046 106.927 108.800 -1.378 0.000 2.315 128 G HA2 0.579 4.539 3.960 0.001 0.000 0.294 128 G HA3 0.579 4.539 3.960 0.001 0.000 0.294 128 G C -1.894 172.773 174.900 -0.389 0.000 1.300 128 G CA 0.108 44.824 45.100 -0.640 0.000 0.843 128 G HN 1.846 nan 8.290 nan 0.000 0.527 129 I N 0.733 121.273 120.570 -0.050 0.000 2.478 129 I HA 0.620 4.790 4.170 0.001 0.000 0.287 129 I C -0.335 175.869 176.117 0.144 0.000 1.042 129 I CA -0.767 60.559 61.300 0.043 0.000 1.067 129 I CB 1.634 39.605 38.000 -0.048 0.000 1.233 129 I HN 0.817 nan 8.210 nan 0.000 0.431 130 E N 5.852 126.171 120.200 0.200 0.000 2.281 130 E HA 0.467 4.818 4.350 0.001 0.000 0.262 130 E C -0.638 175.990 176.600 0.046 0.000 0.933 130 E CA -0.867 55.626 56.400 0.156 0.000 0.809 130 E CB 0.979 30.805 29.700 0.211 0.000 1.242 130 E HN 0.605 nan 8.360 nan 0.000 0.418 131 N N 0.381 119.088 118.700 0.012 0.000 2.738 131 N HA -0.163 4.577 4.740 0.001 0.000 0.249 131 N C -0.881 174.600 175.510 -0.048 0.000 1.047 131 N CA 0.713 53.743 53.050 -0.032 0.000 0.707 131 N CB -1.454 37.002 38.487 -0.050 0.000 0.937 131 N HN 0.574 nan 8.380 nan 0.000 0.545 132 I N 0.449 120.992 120.570 -0.045 0.000 2.452 132 I HA 0.018 4.188 4.170 0.001 0.000 0.287 132 I C 0.864 176.933 176.117 -0.081 0.000 1.079 132 I CA -0.213 61.048 61.300 -0.066 0.000 1.387 132 I CB 0.528 38.498 38.000 -0.051 0.000 1.404 132 I HN -0.035 nan 8.210 nan 0.000 0.522 133 D N 7.260 127.609 120.400 -0.085 0.000 2.339 133 D HA 0.139 4.780 4.640 0.001 0.000 0.256 133 D C 0.538 176.757 176.300 -0.136 0.000 1.214 133 D CA 0.199 54.136 54.000 -0.105 0.000 0.877 133 D CB 1.051 41.805 40.800 -0.076 0.000 1.111 133 D HN 0.431 nan 8.370 nan 0.000 0.478 134 L N 2.912 123.983 121.223 -0.253 0.000 2.640 134 L HA 0.230 4.570 4.340 0.001 0.000 0.230 134 L C 1.824 178.437 176.870 -0.429 0.000 1.123 134 L CA 0.255 54.857 54.840 -0.396 0.000 0.900 134 L CB -0.033 41.587 42.059 -0.731 0.000 1.146 134 L HN 0.739 nan 8.230 nan 0.000 0.484 135 G N 1.801 110.455 108.800 -0.244 0.000 3.909 135 G HA2 -0.426 3.535 3.960 0.001 0.000 0.218 135 G HA3 -0.426 3.535 3.960 0.001 0.000 0.218 135 G C 0.642 175.515 174.900 -0.046 0.000 1.404 135 G CA 0.653 45.704 45.100 -0.082 0.000 0.905 135 G HN 0.365 nan 8.290 nan 0.000 0.589 136 F N 1.792 121.761 119.950 0.032 0.000 2.797 136 F HA 0.598 5.125 4.527 0.001 0.000 0.302 136 F C 1.042 176.864 175.800 0.037 0.000 1.130 136 F CA 0.304 58.324 58.000 0.034 0.000 1.387 136 F CB -0.042 38.981 39.000 0.037 0.000 1.107 136 F HN 0.950 nan 8.300 nan 0.000 0.577 137 G N 0.127 108.720 108.800 -0.344 0.000 2.349 137 G HA2 0.385 4.345 3.960 0.001 0.000 0.294 137 G HA3 0.385 4.345 3.960 0.001 0.000 0.294 137 G C -1.941 172.821 174.900 -0.230 0.000 1.380 137 G CA -1.283 43.709 45.100 -0.181 0.000 0.811 137 G HN -0.067 nan 8.290 nan 0.000 0.519 138 K N 0.111 120.444 120.400 -0.112 0.000 2.292 138 K HA 0.588 4.908 4.320 0.001 0.000 0.257 138 K C -1.224 175.348 176.600 -0.046 0.000 0.940 138 K CA -0.741 55.492 56.287 -0.091 0.000 0.811 138 K CB 2.493 34.956 32.500 -0.063 0.000 1.120 138 K HN 0.398 nan 8.250 nan 0.000 0.428 139 L N 1.329 122.527 121.223 -0.042 0.000 2.317 139 L HA 0.426 4.767 4.340 0.001 0.000 0.281 139 L C -0.768 176.126 176.870 0.040 0.000 1.024 139 L CA 0.194 55.043 54.840 0.014 0.000 0.810 139 L CB 1.660 43.726 42.059 0.011 0.000 1.240 139 L HN 0.508 nan 8.230 nan 0.000 0.427 140 S N 5.358 121.110 115.700 0.086 0.000 2.547 140 S HA 0.757 5.227 4.470 0.001 0.000 0.281 140 S C -1.043 173.653 174.600 0.160 0.000 1.118 140 S CA -0.596 57.684 58.200 0.133 0.000 0.947 140 S CB 1.476 64.779 63.200 0.172 0.000 1.053 140 S HN 0.528 nan 8.310 nan 0.000 0.482 141 L N 2.061 123.369 121.223 0.142 0.000 2.386 141 L HA 0.968 5.309 4.340 0.001 0.000 0.271 141 L C -0.253 176.650 176.870 0.055 0.000 0.993 141 L CA -0.708 54.197 54.840 0.108 0.000 0.819 141 L CB 1.842 43.944 42.059 0.072 0.000 1.294 141 L HN 0.794 nan 8.230 nan 0.000 0.414 142 A N 2.185 125.010 122.820 0.008 0.000 2.606 142 A HA 0.951 5.272 4.320 0.001 0.000 0.293 142 A C -1.591 175.922 177.584 -0.119 0.000 1.082 142 A CA -0.413 51.538 52.037 -0.143 0.000 0.685 142 A CB 2.023 20.797 19.000 -0.376 0.000 1.284 142 A HN 0.788 nan 8.150 nan 0.000 0.408 143 A N 0.785 123.481 122.820 -0.206 0.000 2.375 143 A HA 0.868 5.189 4.320 0.001 0.000 0.295 143 A C -0.163 177.264 177.584 -0.262 0.000 1.066 143 A CA 0.204 52.100 52.037 -0.235 0.000 0.722 143 A CB 0.960 19.869 19.000 -0.151 0.000 1.206 143 A HN 2.115 nan 8.150 nan 0.000 0.435 144 T N -0.436 113.955 114.554 -0.272 0.000 2.888 144 T HA 0.845 5.195 4.350 0.001 0.000 0.288 144 T C -0.317 174.246 174.700 -0.229 0.000 1.063 144 T CA -0.839 61.148 62.100 -0.189 0.000 1.010 144 T CB 1.731 70.534 68.868 -0.108 0.000 1.214 144 T HN 0.907 nan 8.240 nan 0.000 0.533 145 R N -0.043 120.359 120.500 -0.164 0.000 2.795 145 R HA 0.725 5.065 4.340 0.001 0.000 0.275 145 R C -1.187 175.035 176.300 -0.130 0.000 0.981 145 R CA -0.493 55.508 56.100 -0.165 0.000 0.917 145 R CB 1.926 32.141 30.300 -0.142 0.000 1.202 145 R HN 1.076 nan 8.270 nan 0.000 0.469 146 S N 0.509 116.126 115.700 -0.137 0.000 2.588 146 S HA 0.639 5.109 4.470 0.001 0.000 0.275 146 S C -1.010 173.520 174.600 -0.118 0.000 1.130 146 S CA -0.617 57.514 58.200 -0.116 0.000 0.855 146 S CB 1.971 65.101 63.200 -0.117 0.000 1.116 146 S HN 0.749 nan 8.310 nan 0.000 0.472 147 T N -1.010 113.481 114.554 -0.105 0.000 2.912 147 T HA 0.665 5.015 4.350 0.001 0.000 0.299 147 T C -1.100 173.538 174.700 -0.104 0.000 1.052 147 T CA -0.725 61.309 62.100 -0.111 0.000 0.996 147 T CB 1.577 70.379 68.868 -0.110 0.000 1.070 147 T HN 0.717 nan 8.240 nan 0.000 0.465 148 E N 1.066 121.198 120.200 -0.112 0.000 2.222 148 E HA 0.609 4.959 4.350 0.001 0.000 0.272 148 E C -0.217 176.315 176.600 -0.112 0.000 0.982 148 E CA -1.276 55.061 56.400 -0.104 0.000 0.842 148 E CB 1.683 31.320 29.700 -0.105 0.000 1.144 148 E HN 0.914 nan 8.360 nan 0.000 0.397 149 A N 2.044 124.807 122.820 -0.095 0.000 2.409 149 A HA 0.526 4.846 4.320 0.001 0.000 0.267 149 A C 0.788 178.301 177.584 -0.119 0.000 1.127 149 A CA 0.602 52.582 52.037 -0.095 0.000 0.795 149 A CB -0.467 18.495 19.000 -0.064 0.000 1.061 149 A HN 0.759 nan 8.150 nan 0.000 0.502 150 G N 1.899 110.601 108.800 -0.164 0.000 2.601 150 G HA2 0.251 4.211 3.960 0.001 0.000 0.261 150 G HA3 0.251 4.211 3.960 0.001 0.000 0.261 150 G C 1.370 176.069 174.900 -0.335 0.000 1.289 150 G CA 0.985 45.932 45.100 -0.254 0.000 0.920 150 G HN 2.754 nan 8.290 nan 0.000 0.571 151 G N -2.817 105.681 108.800 -0.503 0.000 2.268 151 G HA2 0.014 3.975 3.960 0.001 0.000 0.240 151 G HA3 0.014 3.975 3.960 0.001 0.000 0.240 151 G C 0.519 175.058 174.900 -0.601 0.000 1.010 151 G CA 1.128 45.981 45.100 -0.412 0.000 0.618 151 G HN 2.054 nan 8.290 nan 0.000 0.516 152 S N 0.558 115.810 115.700 -0.747 0.000 2.456 152 S HA 0.764 5.234 4.470 0.001 0.000 0.316 152 S C -0.943 173.296 174.600 -0.603 0.000 1.089 152 S CA -0.481 57.424 58.200 -0.492 0.000 1.101 152 S CB 1.002 64.005 63.200 -0.329 0.000 0.995 152 S HN 0.400 nan 8.310 nan 0.000 0.468 153 Y N 0.306 120.459 120.300 -0.245 0.000 2.536 153 Y HA 0.457 5.007 4.550 0.001 0.000 0.347 153 Y C 0.648 176.131 175.900 -0.695 0.000 1.000 153 Y CA -1.287 56.440 58.100 -0.621 0.000 1.051 153 Y CB 1.314 38.947 38.460 -1.379 0.000 1.259 153 Y HN 0.500 nan 8.280 nan 0.000 0.468 154 T N 0.039 114.284 114.554 -0.515 0.000 3.016 154 T HA 0.442 4.793 4.350 0.001 0.000 0.335 154 T C -0.745 173.824 174.700 -0.219 0.000 1.176 154 T CA -0.601 61.202 62.100 -0.496 0.000 0.987 154 T CB -0.976 67.540 68.868 -0.587 0.000 1.073 154 T HN 0.201 nan 8.240 nan 0.000 0.547 155 F N 2.604 122.569 119.950 0.025 0.000 2.495 155 F HA 0.286 4.814 4.527 0.001 0.000 0.365 155 F C 1.842 177.641 175.800 -0.001 0.000 1.090 155 F CA -0.669 57.358 58.000 0.046 0.000 1.235 155 F CB 0.937 39.962 39.000 0.041 0.000 1.119 155 F HN 0.674 nan 8.300 nan 0.000 0.562 156 S N 0.339 116.158 115.700 0.197 0.000 2.398 156 S HA 0.160 4.630 4.470 0.001 0.000 0.220 156 S C 0.553 175.193 174.600 0.066 0.000 1.046 156 S CA 0.346 58.593 58.200 0.078 0.000 0.953 156 S CB 0.170 63.381 63.200 0.017 0.000 0.856 156 S HN 0.482 nan 8.310 nan 0.000 0.506 157 S N 0.049 115.788 115.700 0.065 0.000 2.566 157 S HA 0.470 4.941 4.470 0.001 0.000 0.273 157 S C -0.762 173.839 174.600 0.003 0.000 1.157 157 S CA -0.553 57.661 58.200 0.023 0.000 0.938 157 S CB 0.867 64.071 63.200 0.007 0.000 1.087 157 S HN 0.556 nan 8.310 nan 0.000 0.474 158 Q N 1.722 121.492 119.800 -0.050 0.000 1.202 158 Q HA -0.266 4.074 4.340 0.001 0.000 0.374 158 Q C 0.018 175.885 176.000 -0.220 0.000 1.006 158 Q CA 1.631 57.373 55.803 -0.103 0.000 0.589 158 Q CB -0.968 27.759 28.738 -0.017 0.000 4.807 158 Q HN 0.971 nan 8.270 nan 0.000 0.528 159 N N 1.136 119.757 118.700 -0.131 0.000 2.421 159 N HA 0.130 4.870 4.740 0.001 0.000 0.201 159 N C -0.024 175.606 175.510 0.199 0.000 1.198 159 N CA 0.483 53.459 53.050 -0.123 0.000 0.838 159 N CB -0.329 38.162 38.487 0.006 0.000 1.011 159 N HN 0.326 nan 8.380 nan 0.000 0.463 160 I N 1.327 121.977 120.570 0.133 0.000 2.365 160 I HA 0.254 4.425 4.170 0.001 0.000 0.291 160 I C -0.481 175.757 176.117 0.201 0.000 1.004 160 I CA -1.260 60.015 61.300 -0.042 0.000 1.311 160 I CB 0.421 38.310 38.000 -0.185 0.000 1.401 160 I HN 0.076 nan 8.210 nan 0.000 0.491 161 Y N 2.953 123.250 120.300 -0.005 0.000 2.576 161 Y HA 0.527 5.077 4.550 0.001 0.000 0.346 161 Y C -0.174 175.663 175.900 -0.104 0.000 1.018 161 Y CA -1.180 56.895 58.100 -0.042 0.000 1.050 161 Y CB 0.844 39.176 38.460 -0.213 0.000 1.280 161 Y HN 0.409 nan 8.280 nan 0.000 0.474 162 D N 0.875 121.312 120.400 0.061 0.000 2.202 162 D HA 0.063 4.704 4.640 0.001 0.000 0.214 162 D C -0.483 175.886 176.300 0.115 0.000 0.967 162 D CA 1.071 55.065 54.000 -0.010 0.000 0.871 162 D CB 0.421 41.198 40.800 -0.039 0.000 1.020 162 D HN 0.759 nan 8.370 nan 0.000 0.474 163 E N 0.017 120.326 120.200 0.182 0.000 2.343 163 E HA 0.495 4.846 4.350 0.001 0.000 0.270 163 E C -0.866 175.854 176.600 0.200 0.000 0.895 163 E CA -0.738 55.782 56.400 0.201 0.000 0.767 163 E CB 3.220 32.984 29.700 0.108 0.000 1.248 163 E HN -0.223 nan 8.360 nan 0.000 0.440 164 V N 0.588 120.597 119.914 0.158 0.000 3.096 164 V HA 0.668 4.788 4.120 0.001 0.000 0.319 164 V C -0.236 175.837 176.094 -0.035 0.000 1.103 164 V CA -0.832 61.419 62.300 -0.082 0.000 1.016 164 V CB 1.731 33.481 31.823 -0.121 0.000 1.090 164 V HN 0.595 nan 8.190 nan 0.000 0.449 165 K N -0.138 120.110 120.400 -0.255 0.000 2.597 165 K HA 0.313 4.633 4.320 0.001 0.000 0.282 165 K C -1.884 174.513 176.600 -0.337 0.000 0.975 165 K CA -0.746 55.346 56.287 -0.325 0.000 0.867 165 K CB 2.288 34.382 32.500 -0.676 0.000 1.465 165 K HN 0.823 nan 8.250 nan 0.000 0.417 166 D N 1.456 121.696 120.400 -0.267 0.000 2.341 166 D HA 0.137 4.778 4.640 0.001 0.000 0.245 166 D C -0.615 175.540 176.300 -0.242 0.000 1.106 166 D CA 0.413 54.280 54.000 -0.223 0.000 0.905 166 D CB 1.394 42.096 40.800 -0.164 0.000 1.202 166 D HN 0.324 nan 8.370 nan 0.000 0.426 167 T N 1.098 115.527 114.554 -0.209 0.000 2.743 167 T HA 0.514 4.864 4.350 0.001 0.000 0.292 167 T C 0.146 174.754 174.700 -0.153 0.000 0.972 167 T CA -0.689 61.298 62.100 -0.188 0.000 0.967 167 T CB 1.207 69.972 68.868 -0.173 0.000 0.926 167 T HN 0.361 nan 8.240 nan 0.000 0.459 168 A N 4.446 127.178 122.820 -0.147 0.000 2.401 168 A HA 0.477 4.798 4.320 0.001 0.000 0.259 168 A C 0.290 177.794 177.584 -0.132 0.000 1.103 168 A CA -0.619 51.338 52.037 -0.133 0.000 0.789 168 A CB 0.209 19.135 19.000 -0.124 0.000 1.035 168 A HN 0.838 nan 8.150 nan 0.000 0.491 169 N N 2.218 120.829 118.700 -0.147 0.000 2.399 169 N HA 0.253 4.994 4.740 0.001 0.000 0.280 169 N C -1.637 173.739 175.510 -0.224 0.000 1.008 169 N CA -0.557 52.390 53.050 -0.172 0.000 0.894 169 N CB 1.761 40.145 38.487 -0.171 0.000 1.273 169 N HN 0.599 nan 8.380 nan 0.000 0.486 170 D N 1.270 121.507 120.400 -0.271 0.000 2.175 170 D HA 0.385 5.026 4.640 0.001 0.000 0.248 170 D C -0.244 175.662 176.300 -0.658 0.000 1.047 170 D CA -0.186 53.540 54.000 -0.456 0.000 0.883 170 D CB 2.443 42.974 40.800 -0.447 0.000 1.180 170 D HN 0.040 nan 8.370 nan 0.000 0.438 171 V N 2.135 121.586 119.914 -0.771 0.000 2.540 171 V HA 0.435 4.556 4.120 0.001 0.000 0.302 171 V C -0.776 174.829 176.094 -0.815 0.000 1.035 171 V CA -0.834 61.079 62.300 -0.645 0.000 0.873 171 V CB 1.300 32.924 31.823 -0.331 0.000 0.992 171 V HN 0.318 nan 8.190 nan 0.000 0.428 172 F N 2.573 122.475 119.950 -0.080 0.000 2.427 172 F HA 0.482 5.010 4.527 0.001 0.000 0.348 172 F C 0.189 176.002 175.800 0.021 0.000 1.125 172 F CA -0.547 57.442 58.000 -0.019 0.000 0.989 172 F CB 1.337 40.350 39.000 0.022 0.000 1.165 172 F HN 0.458 nan 8.300 nan 0.000 0.442 173 D N 3.318 123.806 120.400 0.146 0.000 2.278 173 D HA 0.579 5.220 4.640 0.001 0.000 0.245 173 D C -1.474 174.948 176.300 0.203 0.000 1.052 173 D CA -0.261 53.844 54.000 0.174 0.000 0.834 173 D CB 2.363 43.245 40.800 0.136 0.000 1.194 173 D HN 0.319 nan 8.370 nan 0.000 0.481 174 V N 4.232 124.293 119.914 0.245 0.000 2.577 174 V HA 0.538 4.658 4.120 0.001 0.000 0.303 174 V C -0.284 175.971 176.094 0.269 0.000 1.042 174 V CA -0.730 61.709 62.300 0.231 0.000 0.872 174 V CB 2.014 33.971 31.823 0.222 0.000 0.998 174 V HN 0.518 nan 8.190 nan 0.000 0.423 175 R N 3.234 123.871 120.500 0.228 0.000 2.673 175 R HA 0.773 5.113 4.340 0.001 0.000 0.281 175 R C -1.748 174.658 176.300 0.178 0.000 0.991 175 R CA -0.739 55.504 56.100 0.239 0.000 0.896 175 R CB 2.375 32.772 30.300 0.163 0.000 1.201 175 R HN 0.532 nan 8.270 nan 0.000 0.457 176 L N 1.971 123.309 121.223 0.192 0.000 2.372 176 L HA 0.822 5.163 4.340 0.001 0.000 0.274 176 L C -1.310 175.650 176.870 0.149 0.000 0.988 176 L CA -0.193 54.737 54.840 0.151 0.000 0.833 176 L CB 1.597 43.768 42.059 0.186 0.000 1.236 176 L HN 0.823 nan 8.230 nan 0.000 0.410 177 A N 2.933 125.810 122.820 0.095 0.000 2.435 177 A HA 0.803 5.124 4.320 0.001 0.000 0.296 177 A C 0.736 178.354 177.584 0.057 0.000 1.147 177 A CA -0.135 51.954 52.037 0.087 0.000 0.775 177 A CB 1.232 20.265 19.000 0.054 0.000 1.340 177 A HN 1.852 nan 8.150 nan 0.000 0.427 178 G N -0.853 107.978 108.800 0.053 0.000 2.147 178 G HA2 -0.148 3.812 3.960 0.001 0.000 0.244 178 G HA3 -0.148 3.812 3.960 0.001 0.000 0.244 178 G C -0.080 174.869 174.900 0.081 0.000 1.005 178 G CA 0.297 45.420 45.100 0.039 0.000 0.713 178 G HN 0.852 nan 8.290 nan 0.000 0.515 179 L N 0.431 121.727 121.223 0.121 0.000 2.385 179 L HA 0.320 4.660 4.340 0.001 0.000 0.281 179 L C 0.937 177.885 176.870 0.129 0.000 1.106 179 L CA -0.455 54.481 54.840 0.160 0.000 0.856 179 L CB 1.066 43.235 42.059 0.184 0.000 1.186 179 L HN 0.175 nan 8.230 nan 0.000 0.453 180 Q N 1.873 121.743 119.800 0.117 0.000 2.381 180 Q HA 0.034 4.374 4.340 0.001 0.000 0.243 180 Q C 1.088 177.152 176.000 0.107 0.000 1.154 180 Q CA 0.064 55.925 55.803 0.096 0.000 0.899 180 Q CB 0.751 29.537 28.738 0.080 0.000 1.396 180 Q HN 0.703 nan 8.270 nan 0.000 0.485 181 T N -0.008 114.628 114.554 0.137 0.000 3.044 181 T HA 0.118 4.468 4.350 0.001 0.000 0.255 181 T C 0.494 175.263 174.700 0.114 0.000 1.073 181 T CA 0.400 62.582 62.100 0.136 0.000 1.125 181 T CB 0.020 69.000 68.868 0.188 0.000 0.908 181 T HN 0.623 nan 8.240 nan 0.000 0.480 182 N N 0.229 119.008 118.700 0.132 0.000 3.046 182 N HA 0.265 5.005 4.740 0.001 0.000 0.243 182 N C -3.646 171.919 175.510 0.092 0.000 1.452 182 N CA -1.672 51.438 53.050 0.099 0.000 0.882 182 N CB 0.804 39.352 38.487 0.101 0.000 1.425 182 N HN -0.096 nan 8.380 nan 0.000 0.517 183 P HA 0.129 nan 4.420 nan 0.000 0.262 183 P C -0.571 176.768 177.300 0.065 0.000 1.199 183 P CA 0.731 63.865 63.100 0.057 0.000 0.763 183 P CB 0.014 31.740 31.700 0.044 0.000 0.790 184 D N 0.531 120.963 120.400 0.053 0.000 3.076 184 D HA -0.133 4.508 4.640 0.001 0.000 0.218 184 D C 0.635 176.961 176.300 0.043 0.000 1.156 184 D CA 1.794 55.822 54.000 0.046 0.000 0.921 184 D CB -1.548 39.283 40.800 0.053 0.000 1.113 184 D HN 0.646 nan 8.370 nan 0.000 0.418 185 G N -0.775 108.060 108.800 0.058 0.000 2.495 185 G HA2 0.645 4.606 3.960 0.001 0.000 0.318 185 G HA3 0.645 4.606 3.960 0.001 0.000 0.318 185 G C -0.730 174.152 174.900 -0.030 0.000 1.257 185 G CA -0.400 44.709 45.100 0.016 0.000 0.962 185 G HN 0.122 nan 8.290 nan 0.000 0.483 186 V N 1.329 121.099 119.914 -0.240 0.000 3.049 186 V HA 0.672 4.792 4.120 0.001 0.000 0.309 186 V C -1.127 174.923 176.094 -0.074 0.000 1.148 186 V CA -0.773 61.479 62.300 -0.081 0.000 0.990 186 V CB 2.208 33.994 31.823 -0.062 0.000 1.039 186 V HN 0.808 nan 8.190 nan 0.000 0.430 187 L N 2.867 124.151 121.223 0.102 0.000 2.386 187 L HA 0.735 5.075 4.340 0.001 0.000 0.271 187 L C -0.651 176.320 176.870 0.168 0.000 0.993 187 L CA 0.091 55.042 54.840 0.186 0.000 0.819 187 L CB 1.968 44.182 42.059 0.258 0.000 1.294 187 L HN 0.830 nan 8.230 nan 0.000 0.414 188 E N 3.927 124.244 120.200 0.196 0.000 2.210 188 E HA 0.549 4.899 4.350 0.001 0.000 0.266 188 E C -1.875 174.870 176.600 0.242 0.000 0.883 188 E CA -0.742 55.792 56.400 0.222 0.000 0.761 188 E CB 1.462 31.323 29.700 0.268 0.000 1.156 188 E HN 0.524 nan 8.360 nan 0.000 0.412 189 L N 2.735 124.103 121.223 0.242 0.000 2.334 189 L HA 0.790 5.130 4.340 0.001 0.000 0.273 189 L C 0.202 177.255 176.870 0.304 0.000 1.013 189 L CA -0.455 54.521 54.840 0.226 0.000 0.816 189 L CB 1.779 43.959 42.059 0.202 0.000 1.278 189 L HN 0.697 nan 8.230 nan 0.000 0.431 190 G N 1.344 110.303 108.800 0.265 0.000 2.706 190 G HA2 0.649 4.610 3.960 0.001 0.000 0.297 190 G HA3 0.649 4.610 3.960 0.001 0.000 0.297 190 G C -2.027 173.034 174.900 0.268 0.000 1.403 190 G CA -0.370 44.967 45.100 0.396 0.000 0.954 190 G HN 0.316 nan 8.290 nan 0.000 0.500 191 V N 1.331 121.431 119.914 0.310 0.000 2.735 191 V HA 0.611 4.732 4.120 0.001 0.000 0.310 191 V C -1.215 175.004 176.094 0.208 0.000 1.061 191 V CA -0.876 61.566 62.300 0.237 0.000 0.913 191 V CB 2.267 34.304 31.823 0.356 0.000 1.005 191 V HN 0.729 nan 8.190 nan 0.000 0.428 192 D N 2.305 122.747 120.400 0.070 0.000 2.757 192 D HA 0.346 4.987 4.640 0.001 0.000 0.249 192 D C -1.794 174.444 176.300 -0.104 0.000 1.168 192 D CA -0.219 53.805 54.000 0.041 0.000 0.870 192 D CB 2.833 43.649 40.800 0.027 0.000 1.411 192 D HN 0.548 nan 8.370 nan 0.000 0.525 193 Y N 1.215 121.346 120.300 -0.283 0.000 2.331 193 Y HA 0.549 5.100 4.550 0.001 0.000 0.334 193 Y C -0.522 175.205 175.900 -0.289 0.000 0.960 193 Y CA -0.611 57.107 58.100 -0.637 0.000 1.130 193 Y CB 1.674 39.564 38.460 -0.949 0.000 1.164 193 Y HN 0.388 nan 8.280 nan 0.000 0.458 194 G N 5.607 113.755 108.800 -1.087 0.000 2.519 194 G HA2 0.743 4.704 3.960 0.001 0.000 0.307 194 G HA3 0.743 4.704 3.960 0.001 0.000 0.307 194 G C -1.822 172.587 174.900 -0.818 0.000 1.266 194 G CA -1.355 43.280 45.100 -0.776 0.000 0.970 194 G HN 0.856 nan 8.290 nan 0.000 0.481 195 R N -0.183 120.032 120.500 -0.476 0.000 2.594 195 R HA 0.713 5.053 4.340 0.001 0.000 0.265 195 R C -0.534 175.671 176.300 -0.159 0.000 1.070 195 R CA -0.907 55.023 56.100 -0.283 0.000 0.909 195 R CB 1.361 31.561 30.300 -0.167 0.000 1.243 195 R HN 0.820 nan 8.270 nan 0.000 0.455 196 A N 2.147 124.898 122.820 -0.115 0.000 2.488 196 A HA 0.205 4.525 4.320 0.001 0.000 0.249 196 A C -0.477 177.073 177.584 -0.057 0.000 1.083 196 A CA -0.256 51.726 52.037 -0.092 0.000 0.768 196 A CB 0.080 19.035 19.000 -0.074 0.000 1.017 196 A HN 0.682 nan 8.150 nan 0.000 0.496 197 N N 2.169 120.831 118.700 -0.063 0.000 2.626 197 N HA 0.282 5.023 4.740 0.001 0.000 0.242 197 N C -0.308 175.170 175.510 -0.054 0.000 1.005 197 N CA -0.126 52.903 53.050 -0.035 0.000 0.905 197 N CB 0.924 39.396 38.487 -0.024 0.000 1.128 197 N HN 0.692 nan 8.380 nan 0.000 0.512 198 T N 0.238 114.771 114.554 -0.035 0.000 2.910 198 T HA 0.318 4.668 4.350 0.001 0.000 0.293 198 T C 0.564 175.245 174.700 -0.031 0.000 1.015 198 T CA -0.417 61.655 62.100 -0.045 0.000 1.094 198 T CB 0.592 69.463 68.868 0.006 0.000 0.968 198 T HN 0.295 nan 8.240 nan 0.000 0.521 199 T N 2.476 116.984 114.554 -0.076 0.000 2.898 199 T HA 0.155 4.506 4.350 0.001 0.000 0.301 199 T C 0.317 175.075 174.700 0.097 0.000 1.049 199 T CA -0.367 61.710 62.100 -0.039 0.000 1.095 199 T CB 0.444 69.207 68.868 -0.174 0.000 0.976 199 T HN 0.784 nan 8.240 nan 0.000 0.539 200 D N 0.080 120.534 120.400 0.090 0.000 2.493 200 D HA 0.339 4.979 4.640 0.001 0.000 0.240 200 D C 1.351 177.746 176.300 0.158 0.000 1.142 200 D CA 1.725 55.785 54.000 0.100 0.000 0.872 200 D CB -0.029 40.808 40.800 0.061 0.000 1.173 200 D HN 0.744 nan 8.370 nan 0.000 0.467 201 G N 2.177 111.038 108.800 0.102 0.000 2.317 201 G HA2 -0.275 3.686 3.960 0.001 0.000 0.227 201 G HA3 -0.275 3.686 3.960 0.001 0.000 0.227 201 G C 0.027 174.891 174.900 -0.060 0.000 1.042 201 G CA 0.183 45.291 45.100 0.013 0.000 0.623 201 G HN 0.495 nan 8.290 nan 0.000 0.509 202 Y N 1.263 121.543 120.300 -0.034 0.000 2.335 202 Y HA 0.722 5.272 4.550 0.001 0.000 0.323 202 Y C 0.878 176.763 175.900 -0.025 0.000 1.224 202 Y CA -0.208 57.848 58.100 -0.073 0.000 1.241 202 Y CB 1.267 39.652 38.460 -0.125 0.000 1.235 202 Y HN 0.134 nan 8.280 nan 0.000 0.492 203 K N 1.667 122.151 120.400 0.140 0.000 2.512 203 K HA 0.542 4.863 4.320 0.001 0.000 0.263 203 K C -1.531 175.208 176.600 0.231 0.000 0.966 203 K CA -0.911 55.492 56.287 0.193 0.000 0.851 203 K CB 2.319 35.002 32.500 0.304 0.000 1.395 203 K HN 0.438 nan 8.250 nan 0.000 0.440 204 L N 1.787 123.148 121.223 0.229 0.000 2.418 204 L HA 0.392 4.733 4.340 0.001 0.000 0.265 204 L C 0.592 177.712 176.870 0.417 0.000 1.143 204 L CA -0.561 54.426 54.840 0.246 0.000 0.809 204 L CB 0.937 43.076 42.059 0.133 0.000 1.124 204 L HN 0.741 nan 8.230 nan 0.000 0.456 205 A N 1.208 124.316 122.820 0.479 0.000 2.386 205 A HA 0.217 4.538 4.320 0.001 0.000 0.246 205 A C -0.505 177.187 177.584 0.181 0.000 1.089 205 A CA -0.587 51.680 52.037 0.384 0.000 0.790 205 A CB -0.044 19.126 19.000 0.284 0.000 1.042 205 A HN 0.793 nan 8.150 nan 0.000 0.497 206 D N -0.438 120.002 120.400 0.067 0.000 2.389 206 D HA 0.432 5.073 4.640 0.001 0.000 0.247 206 D C 0.894 177.218 176.300 0.039 0.000 1.128 206 D CA 0.488 54.508 54.000 0.034 0.000 0.884 206 D CB 0.732 41.522 40.800 -0.018 0.000 1.194 206 D HN 1.235 nan 8.370 nan 0.000 0.441 207 G N 0.476 109.297 108.800 0.035 0.000 2.278 207 G HA2 -0.065 3.895 3.960 0.001 0.000 0.210 207 G HA3 -0.065 3.895 3.960 0.001 0.000 0.210 207 G C 0.512 175.422 174.900 0.016 0.000 1.000 207 G CA 0.007 45.120 45.100 0.022 0.000 0.635 207 G HN 1.063 nan 8.290 nan 0.000 0.495 208 A N 0.870 123.711 122.820 0.034 0.000 2.555 208 A HA 0.542 4.863 4.320 0.001 0.000 0.233 208 A C 1.831 179.419 177.584 0.007 0.000 1.060 208 A CA 1.588 53.636 52.037 0.019 0.000 0.759 208 A CB 0.257 19.285 19.000 0.046 0.000 0.995 208 A HN 1.731 nan 8.150 nan 0.000 0.506 209 S N 0.888 116.579 115.700 -0.016 0.000 2.425 209 S HA -0.028 4.442 4.470 0.001 0.000 0.225 209 S C 1.541 176.145 174.600 0.006 0.000 1.024 209 S CA 0.940 59.136 58.200 -0.007 0.000 0.951 209 S CB -0.133 63.051 63.200 -0.027 0.000 0.796 209 S HN 0.963 nan 8.310 nan 0.000 0.498 210 K N 1.020 121.414 120.400 -0.010 0.000 8.070 210 K HA -0.251 4.069 4.320 0.001 0.000 0.487 210 K C -0.451 176.119 176.600 -0.051 0.000 0.363 210 K CA 2.535 58.815 56.287 -0.013 0.000 1.957 210 K CB -1.927 30.588 32.500 0.025 0.000 0.676 210 K HN 0.740 nan 8.250 nan 0.000 0.908 211 D N -1.550 118.828 120.400 -0.038 0.000 2.744 211 D HA 0.701 5.341 4.640 0.001 0.000 0.304 211 D C 0.173 176.415 176.300 -0.097 0.000 1.179 211 D CA 0.235 54.156 54.000 -0.132 0.000 1.024 211 D CB 1.424 42.178 40.800 -0.078 0.000 1.453 211 D HN 0.480 nan 8.370 nan 0.000 0.529 212 G N -2.346 106.321 108.800 -0.222 0.000 2.356 212 G HA2 0.457 4.417 3.960 0.001 0.000 0.294 212 G HA3 0.457 4.417 3.960 0.001 0.000 0.294 212 G C -2.298 172.457 174.900 -0.242 0.000 1.423 212 G CA -1.124 43.935 45.100 -0.069 0.000 0.806 212 G HN 0.323 nan 8.290 nan 0.000 0.527 213 W N -0.530 120.741 121.300 -0.048 0.000 2.962 213 W HA 0.833 5.493 4.660 0.001 0.000 0.341 213 W C 0.062 176.351 176.519 -0.384 0.000 1.155 213 W CA -0.803 56.429 57.345 -0.187 0.000 1.165 213 W CB 2.513 31.877 29.460 -0.160 0.000 1.435 213 W HN 0.536 nan 8.180 nan 0.000 0.546 214 M N 2.398 121.784 119.600 -0.357 0.000 2.322 214 M HA 0.522 5.003 4.480 0.001 0.000 0.286 214 M C -2.235 173.727 176.300 -0.564 0.000 1.111 214 M CA -0.376 54.702 55.300 -0.370 0.000 0.941 214 M CB 1.458 33.924 32.600 -0.223 0.000 1.671 214 M HN 0.371 nan 8.290 nan 0.000 0.470 215 F N 1.632 121.588 119.950 0.010 0.000 2.507 215 F HA 0.689 5.217 4.527 0.001 0.000 0.325 215 F C -0.124 175.582 175.800 -0.157 0.000 1.116 215 F CA -0.587 57.407 58.000 -0.010 0.000 0.930 215 F CB 2.479 41.510 39.000 0.052 0.000 1.146 215 F HN 0.362 nan 8.300 nan 0.000 0.447 216 T N 2.094 116.582 114.554 -0.111 0.000 2.893 216 T HA 0.812 5.163 4.350 0.001 0.000 0.293 216 T C -1.157 173.455 174.700 -0.147 0.000 1.027 216 T CA -0.805 61.092 62.100 -0.338 0.000 0.988 216 T CB 1.819 70.019 68.868 -1.114 0.000 1.043 216 T HN 0.747 nan 8.240 nan 0.000 0.461 217 A N 2.492 125.272 122.820 -0.067 0.000 2.375 217 A HA 0.747 5.068 4.320 0.001 0.000 0.295 217 A C -0.831 176.803 177.584 0.083 0.000 1.066 217 A CA -0.673 51.400 52.037 0.060 0.000 0.722 217 A CB 1.246 20.310 19.000 0.108 0.000 1.206 217 A HN 0.791 nan 8.150 nan 0.000 0.435 218 E N 1.976 122.277 120.200 0.168 0.000 2.218 218 E HA 0.347 4.698 4.350 0.001 0.000 0.263 218 E C -1.494 175.269 176.600 0.273 0.000 0.879 218 E CA -0.511 56.024 56.400 0.225 0.000 0.762 218 E CB 1.114 30.998 29.700 0.307 0.000 1.166 218 E HN 0.809 nan 8.360 nan 0.000 0.415 219 H N 3.391 122.588 119.070 0.212 0.000 2.466 219 H HA 0.387 4.943 4.556 0.001 0.000 0.338 219 H C -1.261 174.170 175.328 0.172 0.000 1.091 219 H CA -0.319 55.847 56.048 0.196 0.000 1.207 219 H CB 1.597 31.495 29.762 0.228 0.000 1.466 219 H HN 0.436 nan 8.280 nan 0.000 0.493 220 T N 4.858 119.177 114.554 -0.391 0.000 2.779 220 T HA 0.126 4.477 4.350 0.001 0.000 0.280 220 T C -0.344 174.175 174.700 -0.300 0.000 0.987 220 T CA -0.685 61.283 62.100 -0.220 0.000 0.966 220 T CB 1.586 70.357 68.868 -0.161 0.000 0.933 220 T HN 0.499 nan 8.240 nan 0.000 0.442 221 Q N 2.156 121.945 119.800 -0.019 0.000 2.333 221 Q HA 0.502 4.842 4.340 0.001 0.000 0.268 221 Q C -0.953 175.122 176.000 0.126 0.000 1.007 221 Q CA -0.375 55.471 55.803 0.072 0.000 0.810 221 Q CB 1.165 30.023 28.738 0.201 0.000 1.264 221 Q HN 0.603 nan 8.270 nan 0.000 0.452 222 S N 5.301 121.057 115.700 0.094 0.000 2.513 222 S HA 0.817 5.287 4.470 0.001 0.000 0.276 222 S C -0.239 174.421 174.600 0.101 0.000 1.254 222 S CA -0.445 57.822 58.200 0.112 0.000 1.053 222 S CB 0.107 63.351 63.200 0.073 0.000 0.958 222 S HN 0.718 nan 8.310 nan 0.000 0.491 223 M N 0.348 120.012 119.600 0.106 0.000 2.853 223 M HA 0.411 4.892 4.480 0.001 0.000 0.273 223 M C -1.414 174.934 176.300 0.079 0.000 1.128 223 M CA -1.138 54.213 55.300 0.084 0.000 0.814 223 M CB 0.380 33.031 32.600 0.085 0.000 1.667 223 M HN 0.166 nan 8.290 nan 0.000 0.519 224 L N 0.692 121.954 121.223 0.065 0.000 3.829 224 L HA -0.234 4.107 4.340 0.001 0.000 0.440 224 L C 0.395 177.307 176.870 0.071 0.000 1.192 224 L CA 1.625 56.502 54.840 0.062 0.000 0.848 224 L CB -2.370 39.725 42.059 0.060 0.000 1.744 224 L HN 1.037 nan 8.230 nan 0.000 0.920 225 K N -2.169 118.275 120.400 0.073 0.000 3.069 225 K HA -0.194 4.126 4.320 0.001 0.000 0.267 225 K C 1.013 177.677 176.600 0.106 0.000 1.082 225 K CA 0.923 57.260 56.287 0.083 0.000 0.782 225 K CB -1.374 31.173 32.500 0.077 0.000 1.230 225 K HN 0.836 nan 8.250 nan 0.000 0.488 226 G N -0.569 108.293 108.800 0.104 0.000 2.827 226 G HA2 0.645 4.605 3.960 0.001 0.000 0.202 226 G HA3 0.645 4.605 3.960 0.001 0.000 0.202 226 G C -1.485 173.500 174.900 0.142 0.000 1.185 226 G CA -0.169 44.990 45.100 0.098 0.000 0.920 226 G HN 0.282 nan 8.290 nan 0.000 0.550 227 Y N -1.260 119.108 120.300 0.113 0.000 2.725 227 Y HA 0.776 5.327 4.550 0.001 0.000 0.333 227 Y C -1.299 174.653 175.900 0.087 0.000 1.242 227 Y CA -1.572 56.572 58.100 0.074 0.000 1.059 227 Y CB 1.557 40.032 38.460 0.024 0.000 1.306 227 Y HN 0.632 nan 8.280 nan 0.000 0.454 228 N N 1.349 120.254 118.700 0.342 0.000 2.397 228 N HA 0.350 5.090 4.740 0.001 0.000 0.291 228 N C -2.143 173.543 175.510 0.294 0.000 1.065 228 N CA -0.633 52.586 53.050 0.282 0.000 0.884 228 N CB 2.349 41.007 38.487 0.284 0.000 1.551 228 N HN 0.832 nan 8.380 nan 0.000 0.487 229 K N 2.439 122.934 120.400 0.159 0.000 2.292 229 K HA 0.385 4.705 4.320 0.001 0.000 0.257 229 K C -1.405 175.309 176.600 0.191 0.000 0.940 229 K CA -0.636 55.704 56.287 0.088 0.000 0.811 229 K CB 1.946 34.351 32.500 -0.158 0.000 1.120 229 K HN 0.350 nan 8.250 nan 0.000 0.428 230 F N 3.509 123.543 119.950 0.140 0.000 2.449 230 F HA 0.431 4.958 4.527 0.001 0.000 0.342 230 F C -1.087 174.794 175.800 0.136 0.000 1.127 230 F CA -0.763 57.322 58.000 0.141 0.000 0.975 230 F CB 1.053 40.145 39.000 0.153 0.000 1.146 230 F HN 0.126 nan 8.300 nan 0.000 0.444 231 V N 6.367 125.944 119.914 -0.562 0.000 2.604 231 V HA 0.646 4.767 4.120 0.001 0.000 0.305 231 V C -0.952 174.830 176.094 -0.519 0.000 1.043 231 V CA -0.904 61.161 62.300 -0.392 0.000 0.888 231 V CB 1.828 33.475 31.823 -0.292 0.000 0.995 231 V HN 0.547 nan 8.190 nan 0.000 0.429 232 V N 4.441 124.199 119.914 -0.261 0.000 2.531 232 V HA 0.569 4.690 4.120 0.001 0.000 0.301 232 V C -0.606 175.483 176.094 -0.007 0.000 1.034 232 V CA -0.456 61.791 62.300 -0.087 0.000 0.865 232 V CB 1.811 33.664 31.823 0.050 0.000 0.995 232 V HN 0.974 nan 8.190 nan 0.000 0.424 233 Q N 3.030 122.855 119.800 0.042 0.000 2.359 233 Q HA 0.569 4.910 4.340 0.001 0.000 0.274 233 Q C -1.990 173.989 176.000 -0.034 0.000 1.074 233 Q CA -0.780 55.010 55.803 -0.022 0.000 0.810 233 Q CB 3.414 32.091 28.738 -0.101 0.000 1.342 233 Q HN 0.748 nan 8.270 nan 0.000 0.427 234 Y N 0.968 121.110 120.300 -0.263 0.000 2.346 234 Y HA 0.723 5.273 4.550 0.001 0.000 0.332 234 Y C -1.628 174.153 175.900 -0.198 0.000 0.985 234 Y CA -0.598 57.195 58.100 -0.511 0.000 1.112 234 Y CB 1.343 39.356 38.460 -0.745 0.000 1.170 234 Y HN 0.715 nan 8.280 nan 0.000 0.447 235 A N 3.856 126.216 122.820 -0.766 0.000 2.380 235 A HA 0.848 5.168 4.320 0.001 0.000 0.315 235 A C -0.912 176.316 177.584 -0.593 0.000 1.101 235 A CA -0.686 51.055 52.037 -0.493 0.000 0.771 235 A CB 1.544 20.380 19.000 -0.274 0.000 1.287 235 A HN 0.647 nan 8.150 nan 0.000 0.436 236 T N 1.424 115.822 114.554 -0.261 0.000 2.863 236 T HA 0.502 4.852 4.350 0.001 0.000 0.285 236 T C 0.006 174.714 174.700 0.013 0.000 1.009 236 T CA 0.141 62.184 62.100 -0.094 0.000 0.989 236 T CB 1.073 70.014 68.868 0.122 0.000 1.004 236 T HN 0.804 nan 8.240 nan 0.000 0.455 237 D N 2.195 122.634 120.400 0.066 0.000 4.078 237 D HA -0.347 4.293 4.640 0.001 0.000 0.196 237 D C 1.838 178.170 176.300 0.054 0.000 0.717 237 D CA 2.056 56.106 54.000 0.084 0.000 0.950 237 D CB -1.214 39.634 40.800 0.081 0.000 0.423 237 D HN 0.690 nan 8.370 nan 0.000 0.373 238 A N -0.071 122.747 122.820 -0.003 0.000 2.076 238 A HA -0.150 4.170 4.320 0.001 0.000 0.220 238 A C 2.066 179.619 177.584 -0.051 0.000 1.160 238 A CA 2.208 54.218 52.037 -0.045 0.000 0.653 238 A CB -0.352 18.589 19.000 -0.099 0.000 0.801 238 A HN 0.399 nan 8.150 nan 0.000 0.455 239 M N 0.148 119.714 119.600 -0.057 0.000 2.561 239 M HA -0.012 4.468 4.480 0.001 0.000 0.238 239 M C 1.887 178.169 176.300 -0.029 0.000 1.131 239 M CA 1.530 56.785 55.300 -0.074 0.000 1.046 239 M CB -1.299 31.230 32.600 -0.118 0.000 1.532 239 M HN 0.661 nan 8.290 nan 0.000 0.497 240 T N -3.358 111.226 114.554 0.049 0.000 3.035 240 T HA 0.012 4.362 4.350 0.001 0.000 0.259 240 T C 1.768 176.581 174.700 0.189 0.000 1.078 240 T CA 1.168 63.330 62.100 0.102 0.000 1.132 240 T CB -0.333 68.671 68.868 0.227 0.000 0.900 240 T HN 0.186 nan 8.240 nan 0.000 0.480 241 T N 1.875 116.565 114.554 0.227 0.000 2.639 241 T HA -0.097 4.253 4.350 0.001 0.000 0.261 241 T C 1.993 176.755 174.700 0.105 0.000 1.053 241 T CA 1.327 63.565 62.100 0.229 0.000 1.158 241 T CB -0.417 68.521 68.868 0.116 0.000 0.863 241 T HN 0.346 nan 8.240 nan 0.000 0.413 242 Q N 0.711 120.532 119.800 0.035 0.000 2.046 242 Q HA -0.045 4.295 4.340 0.001 0.000 0.200 242 Q C 1.669 177.675 176.000 0.010 0.000 0.975 242 Q CA 1.358 57.161 55.803 0.001 0.000 0.836 242 Q CB -0.516 28.199 28.738 -0.038 0.000 0.896 242 Q HN 0.715 nan 8.270 nan 0.000 0.428 243 G N 1.178 109.981 108.800 0.005 0.000 2.198 243 G HA2 -0.278 3.682 3.960 0.001 0.000 0.260 243 G HA3 -0.278 3.682 3.960 0.001 0.000 0.260 243 G C 0.356 175.256 174.900 -0.000 0.000 1.025 243 G CA 0.878 45.980 45.100 0.004 0.000 0.769 243 G HN 0.453 nan 8.290 nan 0.000 0.507 244 K N -1.368 119.022 120.400 -0.017 0.000 2.553 244 K HA 0.473 4.793 4.320 0.001 0.000 0.205 244 K C 1.516 178.164 176.600 0.079 0.000 1.168 244 K CA 0.273 56.564 56.287 0.007 0.000 1.043 244 K CB 1.359 33.830 32.500 -0.047 0.000 0.967 244 K HN 1.158 nan 8.250 nan 0.000 0.585 245 G N 1.198 110.012 108.800 0.023 0.000 2.296 245 G HA2 -0.209 3.751 3.960 0.001 0.000 0.188 245 G HA3 -0.209 3.751 3.960 0.001 0.000 0.188 245 G C -0.220 174.662 174.900 -0.031 0.000 1.000 245 G CA -0.535 44.596 45.100 0.052 0.000 0.672 245 G HN 0.190 nan 8.290 nan 0.000 0.483 246 Q N 0.564 120.328 119.800 -0.061 0.000 2.230 246 Q HA 0.690 5.031 4.340 0.001 0.000 0.248 246 Q C 0.241 176.167 176.000 -0.123 0.000 0.915 246 Q CA 0.107 55.847 55.803 -0.105 0.000 0.900 246 Q CB 1.798 30.476 28.738 -0.100 0.000 1.229 246 Q HN 0.598 nan 8.270 nan 0.000 0.439 247 A N 2.451 125.173 122.820 -0.164 0.000 2.310 247 A HA 0.472 4.793 4.320 0.001 0.000 0.299 247 A C -0.294 177.210 177.584 -0.135 0.000 1.147 247 A CA -0.558 51.376 52.037 -0.171 0.000 0.818 247 A CB 0.534 19.389 19.000 -0.242 0.000 1.096 247 A HN 0.630 nan 8.150 nan 0.000 0.495 248 R N 2.725 123.160 120.500 -0.109 0.000 2.835 248 R HA 0.185 4.525 4.340 0.001 0.000 0.290 248 R C 1.124 177.370 176.300 -0.091 0.000 1.410 248 R CA 0.274 56.319 56.100 -0.092 0.000 1.590 248 R CB 0.504 30.765 30.300 -0.066 0.000 1.288 248 R HN 0.917 nan 8.270 nan 0.000 0.637 249 G N 0.656 109.395 108.800 -0.101 0.000 2.470 249 G HA2 -0.237 3.723 3.960 0.001 0.000 0.220 249 G HA3 -0.237 3.723 3.960 0.001 0.000 0.220 249 G C 1.019 175.881 174.900 -0.062 0.000 1.121 249 G CA 0.990 46.039 45.100 -0.084 0.000 0.766 249 G HN 0.444 nan 8.290 nan 0.000 0.553 250 S N -0.416 115.243 115.700 -0.067 0.000 2.593 250 S HA 0.185 4.656 4.470 0.001 0.000 0.236 250 S C 0.060 174.627 174.600 -0.054 0.000 0.991 250 S CA -0.255 57.917 58.200 -0.047 0.000 0.963 250 S CB 0.310 63.474 63.200 -0.060 0.000 0.865 250 S HN 0.174 nan 8.310 nan 0.000 0.488 251 D N 1.697 122.050 120.400 -0.078 0.000 2.531 251 D HA 0.391 5.031 4.640 0.001 0.000 0.239 251 D C 1.381 177.615 176.300 -0.111 0.000 1.144 251 D CA 2.111 56.052 54.000 -0.098 0.000 0.869 251 D CB -0.092 40.635 40.800 -0.121 0.000 1.160 251 D HN 0.449 nan 8.370 nan 0.000 0.484 252 G N 2.199 110.944 108.800 -0.091 0.000 2.179 252 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 252 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 252 G C 0.455 175.351 174.900 -0.007 0.000 0.990 252 G CA 0.144 45.195 45.100 -0.082 0.000 0.646 252 G HN 0.625 nan 8.290 nan 0.000 0.517 253 S N 0.300 116.017 115.700 0.028 0.000 2.593 253 S HA 0.709 5.180 4.470 0.001 0.000 0.269 253 S C 0.490 175.167 174.600 0.129 0.000 1.334 253 S CA 0.695 58.962 58.200 0.111 0.000 1.015 253 S CB 1.512 64.803 63.200 0.152 0.000 0.912 253 S HN 1.913 nan 8.310 nan 0.000 0.541 254 S N 0.165 115.981 115.700 0.193 0.000 2.615 254 S HA 0.780 5.250 4.470 0.001 0.000 0.268 254 S C -1.097 173.658 174.600 0.258 0.000 1.146 254 S CA -0.691 57.629 58.200 0.199 0.000 0.818 254 S CB 1.161 64.451 63.200 0.151 0.000 1.111 254 S HN 1.124 nan 8.310 nan 0.000 0.465 255 S N 0.137 116.015 115.700 0.296 0.000 2.588 255 S HA 0.876 5.346 4.470 0.001 0.000 0.269 255 S C -1.352 173.503 174.600 0.426 0.000 1.157 255 S CA -0.935 57.490 58.200 0.376 0.000 0.824 255 S CB 1.079 64.547 63.200 0.447 0.000 1.126 255 S HN 2.085 nan 8.310 nan 0.000 0.464 256 F N -1.106 118.972 119.950 0.213 0.000 2.591 256 F HA 0.868 5.395 4.527 0.001 0.000 0.309 256 F C -1.020 174.877 175.800 0.162 0.000 1.098 256 F CA -0.671 57.428 58.000 0.164 0.000 0.937 256 F CB 1.412 40.491 39.000 0.131 0.000 1.250 256 F HN 0.609 nan 8.300 nan 0.000 0.447 257 T N 2.601 117.180 114.554 0.041 0.000 2.885 257 T HA 0.649 4.999 4.350 0.001 0.000 0.285 257 T C -0.886 173.830 174.700 0.026 0.000 1.019 257 T CA -0.671 61.362 62.100 -0.111 0.000 1.010 257 T CB 1.970 70.796 68.868 -0.070 0.000 1.022 257 T HN 0.883 nan 8.240 nan 0.000 0.466 266 I N 2.198 122.609 120.570 -0.266 0.000 2.441 266 I HA 0.328 4.498 4.170 0.001 0.000 0.295 266 I C -0.325 175.361 176.117 -0.719 0.000 0.994 266 I CA -1.028 59.984 61.300 -0.480 0.000 1.144 266 I CB 1.607 39.302 38.000 -0.508 0.000 1.314 266 I HN 0.366 nan 8.210 nan 0.000 0.445 267 N N 5.785 123.956 118.700 -0.882 0.000 2.425 267 N HA 0.362 5.103 4.740 0.001 0.000 0.268 267 N C -1.462 173.392 175.510 -1.092 0.000 0.991 267 N CA -0.403 52.015 53.050 -1.052 0.000 0.931 267 N CB 1.536 39.117 38.487 -1.510 0.000 1.130 267 N HN 0.358 nan 8.380 nan 0.000 0.493 268 Y N 0.267 120.235 120.300 -0.554 0.000 2.328 268 Y HA 0.466 5.016 4.550 0.001 0.000 0.336 268 Y C 0.251 176.194 175.900 0.072 0.000 0.960 268 Y CA -1.098 56.830 58.100 -0.286 0.000 1.134 268 Y CB 1.454 39.565 38.460 -0.582 0.000 1.166 268 Y HN 0.486 nan 8.280 nan 0.000 0.464 269 A N 4.504 127.525 122.820 0.334 0.000 2.279 269 A HA 0.353 4.673 4.320 0.001 0.000 0.306 269 A C 0.099 177.765 177.584 0.138 0.000 1.300 269 A CA -0.733 51.345 52.037 0.069 0.000 0.925 269 A CB -0.196 18.552 19.000 -0.420 0.000 1.152 269 A HN 0.783 nan 8.150 nan 0.000 0.544 270 N N 1.431 120.250 118.700 0.199 0.000 2.260 270 N HA 0.017 4.758 4.740 0.001 0.000 0.230 270 N C 0.220 175.793 175.510 0.105 0.000 1.323 270 N CA 0.189 53.345 53.050 0.177 0.000 0.897 270 N CB 0.430 39.027 38.487 0.184 0.000 1.146 270 N HN 0.699 nan 8.380 nan 0.000 0.460 271 K N 0.918 121.366 120.400 0.079 0.000 2.379 271 K HA 0.097 4.417 4.320 0.001 0.000 0.284 271 K C -0.735 175.899 176.600 0.057 0.000 1.044 271 K CA -0.343 55.975 56.287 0.053 0.000 0.974 271 K CB 0.370 32.892 32.500 0.036 0.000 0.962 271 K HN 0.170 nan 8.250 nan 0.000 0.474 272 V N 6.985 126.931 119.914 0.053 0.000 2.485 272 V HA -0.055 4.066 4.120 0.001 0.000 0.287 272 V C 0.810 176.901 176.094 -0.005 0.000 1.022 272 V CA 0.126 62.447 62.300 0.036 0.000 1.067 272 V CB 0.398 32.243 31.823 0.037 0.000 0.967 272 V HN 0.711 nan 8.190 nan 0.000 0.479 273 I N 6.388 126.941 120.570 -0.028 0.000 2.224 273 I HA 0.252 4.422 4.170 0.001 0.000 0.293 273 I C 0.852 176.862 176.117 -0.178 0.000 1.155 273 I CA -0.702 60.553 61.300 -0.074 0.000 1.297 273 I CB -0.175 37.796 38.000 -0.049 0.000 1.487 273 I HN 0.873 nan 8.210 nan 0.000 0.564 274 N N 5.118 123.718 118.700 -0.167 0.000 2.260 274 N HA -0.093 4.648 4.740 0.001 0.000 0.230 274 N C 0.176 175.415 175.510 -0.452 0.000 1.323 274 N CA 0.098 53.010 53.050 -0.230 0.000 0.897 274 N CB 0.095 38.504 38.487 -0.129 0.000 1.146 274 N HN 0.671 nan 8.380 nan 0.000 0.460 275 N N -1.424 117.005 118.700 -0.452 0.000 2.321 275 N HA 0.049 4.790 4.740 0.001 0.000 0.242 275 N C -0.830 174.536 175.510 -0.239 0.000 1.141 275 N CA -0.667 51.951 53.050 -0.720 0.000 0.864 275 N CB -0.191 38.063 38.487 -0.388 0.000 1.100 275 N HN 0.319 nan 8.380 nan 0.000 0.510 276 N N 1.408 120.029 118.700 -0.132 0.000 2.458 276 N HA 0.279 5.020 4.740 0.001 0.000 0.258 276 N C 0.719 176.364 175.510 0.225 0.000 1.219 276 N CA 0.933 54.016 53.050 0.054 0.000 0.902 276 N CB 1.436 39.946 38.487 0.037 0.000 1.076 276 N HN 0.624 nan 8.380 nan 0.000 0.455 277 G N 0.903 109.855 108.800 0.253 0.000 2.373 277 G HA2 0.042 4.003 3.960 0.001 0.000 0.250 277 G HA3 0.042 4.003 3.960 0.001 0.000 0.250 277 G C -1.761 173.226 174.900 0.145 0.000 1.304 277 G CA -0.683 44.586 45.100 0.281 0.000 0.948 277 G HN 0.749 nan 8.290 nan 0.000 0.474 278 N N -1.124 117.605 118.700 0.047 0.000 2.708 278 N HA 0.628 5.369 4.740 0.001 0.000 0.257 278 N C -1.039 174.346 175.510 -0.207 0.000 1.373 278 N CA -0.751 52.214 53.050 -0.142 0.000 0.843 278 N CB 2.348 40.782 38.487 -0.089 0.000 1.503 278 N HN 0.891 nan 8.380 nan 0.000 0.504 279 M N 0.623 119.994 119.600 -0.382 0.000 2.446 279 M HA 0.468 4.948 4.480 0.001 0.000 0.294 279 M C -2.291 173.835 176.300 -0.290 0.000 1.158 279 M CA -0.546 54.599 55.300 -0.260 0.000 0.899 279 M CB 2.535 34.998 32.600 -0.228 0.000 1.687 279 M HN 0.747 nan 8.290 nan 0.000 0.455 280 W N 3.927 125.213 121.300 -0.023 0.000 2.739 280 W HA 0.603 5.263 4.660 0.001 0.000 0.331 280 W C -0.711 175.783 176.519 -0.040 0.000 1.049 280 W CA -0.553 56.834 57.345 0.071 0.000 1.234 280 W CB 1.672 31.218 29.460 0.143 0.000 1.404 280 W HN 0.518 nan 8.180 nan 0.000 0.477 281 R N 4.735 125.396 120.500 0.269 0.000 2.514 281 R HA 0.610 4.951 4.340 0.001 0.000 0.296 281 R C -1.592 174.755 176.300 0.079 0.000 1.012 281 R CA -0.523 55.623 56.100 0.076 0.000 0.897 281 R CB 1.005 31.305 30.300 0.000 0.000 1.184 281 R HN 0.632 nan 8.270 nan 0.000 0.440 282 I N 6.083 126.667 120.570 0.023 0.000 2.410 282 I HA 0.378 4.549 4.170 0.001 0.000 0.286 282 I C -0.752 175.286 176.117 -0.132 0.000 1.009 282 I CA -0.682 60.581 61.300 -0.061 0.000 1.111 282 I CB 1.874 39.898 38.000 0.040 0.000 1.262 282 I HN 0.437 nan 8.210 nan 0.000 0.443 283 L N 6.081 127.146 121.223 -0.263 0.000 2.381 283 L HA 0.625 4.966 4.340 0.001 0.000 0.268 283 L C -1.638 175.176 176.870 -0.093 0.000 0.997 283 L CA -0.377 54.353 54.840 -0.184 0.000 0.818 283 L CB 2.404 44.289 42.059 -0.289 0.000 1.310 283 L HN 0.574 nan 8.230 nan 0.000 0.416 284 D N 2.417 122.891 120.400 0.123 0.000 2.855 284 D HA 0.374 5.014 4.640 0.001 0.000 0.241 284 D C -1.643 174.859 176.300 0.336 0.000 1.277 284 D CA -0.171 53.999 54.000 0.284 0.000 0.918 284 D CB 1.521 42.575 40.800 0.422 0.000 1.462 284 D HN 0.759 nan 8.370 nan 0.000 0.559 285 H N 0.485 119.640 119.070 0.142 0.000 3.016 285 H HA 0.826 5.383 4.556 0.001 0.000 0.362 285 H C -0.566 174.635 175.328 -0.211 0.000 1.233 285 H CA -0.907 55.107 56.048 -0.057 0.000 1.124 285 H CB 2.083 31.853 29.762 0.014 0.000 1.850 285 H HN 0.482 nan 8.280 nan 0.000 0.549 286 G N -0.574 107.741 108.800 -0.809 0.000 2.548 286 G HA2 0.661 4.622 3.960 0.001 0.000 0.301 286 G HA3 0.661 4.622 3.960 0.001 0.000 0.301 286 G C -1.888 172.563 174.900 -0.747 0.000 1.349 286 G CA -0.597 44.030 45.100 -0.787 0.000 0.792 286 G HN 1.158 nan 8.290 nan 0.000 0.481 287 A N -0.176 122.262 122.820 -0.638 0.000 2.465 287 A HA 0.802 5.123 4.320 0.001 0.000 0.292 287 A C -0.635 176.856 177.584 -0.155 0.000 1.041 287 A CA -0.230 51.635 52.037 -0.286 0.000 0.718 287 A CB 0.635 19.576 19.000 -0.099 0.000 1.266 287 A HN 1.940 nan 8.150 nan 0.000 0.403 288 I N -1.739 118.838 120.570 0.011 0.000 3.195 288 I HA 0.818 4.988 4.170 0.001 0.000 0.313 288 I C -0.583 175.584 176.117 0.082 0.000 1.237 288 I CA -0.884 60.452 61.300 0.061 0.000 0.963 288 I CB 2.235 40.294 38.000 0.099 0.000 1.278 288 I HN 0.293 nan 8.210 nan 0.000 0.460 289 S N 2.974 118.725 115.700 0.085 0.000 2.456 289 S HA 0.585 5.055 4.470 0.001 0.000 0.316 289 S C -0.639 174.016 174.600 0.091 0.000 1.089 289 S CA -0.488 57.768 58.200 0.093 0.000 1.101 289 S CB 1.244 64.494 63.200 0.084 0.000 0.995 289 S HN 0.342 nan 8.310 nan 0.000 0.468 290 L N 4.114 125.409 121.223 0.120 0.000 2.407 290 L HA 0.508 4.849 4.340 0.001 0.000 0.261 290 L C 1.175 178.133 176.870 0.147 0.000 1.108 290 L CA 0.649 55.547 54.840 0.097 0.000 0.995 290 L CB -0.792 41.294 42.059 0.044 0.000 1.349 290 L HN 1.022 nan 8.230 nan 0.000 0.423 291 G N 2.851 111.713 108.800 0.102 0.000 2.584 291 G HA2 -0.251 3.710 3.960 0.001 0.000 0.229 291 G HA3 -0.251 3.710 3.960 0.001 0.000 0.229 291 G C 0.404 175.350 174.900 0.077 0.000 1.320 291 G CA 0.034 45.194 45.100 0.100 0.000 0.891 291 G HN 0.384 nan 8.290 nan 0.000 0.573 292 D N 0.205 120.635 120.400 0.049 0.000 2.216 292 D HA 0.053 4.694 4.640 0.001 0.000 0.208 292 D C 2.233 178.470 176.300 -0.104 0.000 0.960 292 D CA 1.114 55.105 54.000 -0.016 0.000 0.861 292 D CB -0.014 40.769 40.800 -0.028 0.000 0.985 292 D HN 0.285 nan 8.370 nan 0.000 0.493 293 K N -0.452 119.851 120.400 -0.160 0.000 2.404 293 K HA 0.095 4.415 4.320 0.001 0.000 0.194 293 K C -0.196 176.009 176.600 -0.658 0.000 1.023 293 K CA -0.051 55.910 56.287 -0.542 0.000 1.094 293 K CB 0.225 32.256 32.500 -0.782 0.000 0.841 293 K HN 0.180 nan 8.250 nan 0.000 0.523 294 W N 0.702 121.930 121.300 -0.121 0.000 2.839 294 W HA 0.302 4.963 4.660 0.001 0.000 0.334 294 W C -0.569 175.928 176.519 -0.037 0.000 1.064 294 W CA -0.719 56.593 57.345 -0.055 0.000 1.236 294 W CB 1.498 30.961 29.460 0.005 0.000 1.405 294 W HN -0.206 nan 8.180 nan 0.000 0.478 295 D N 1.812 122.358 120.400 0.243 0.000 2.490 295 D HA 0.711 5.352 4.640 0.001 0.000 0.232 295 D C -1.706 174.690 176.300 0.162 0.000 1.053 295 D CA -0.580 53.504 54.000 0.140 0.000 0.914 295 D CB 2.302 43.130 40.800 0.047 0.000 1.431 295 D HN 0.243 nan 8.370 nan 0.000 0.483 296 L N 1.016 122.303 121.223 0.107 0.000 2.493 296 L HA 0.559 4.900 4.340 0.001 0.000 0.265 296 L C -1.828 175.096 176.870 0.090 0.000 0.954 296 L CA -0.256 54.658 54.840 0.123 0.000 0.844 296 L CB 1.646 43.796 42.059 0.151 0.000 1.302 296 L HN 0.405 nan 8.230 nan 0.000 0.405 297 M N 4.848 124.488 119.600 0.067 0.000 2.456 297 M HA 0.590 5.070 4.480 0.001 0.000 0.324 297 M C -1.598 174.783 176.300 0.135 0.000 1.124 297 M CA -0.697 54.591 55.300 -0.020 0.000 0.959 297 M CB 2.033 34.579 32.600 -0.090 0.000 1.692 297 M HN 0.645 nan 8.290 nan 0.000 0.444 298 Y N -0.120 120.241 120.300 0.102 0.000 2.609 298 Y HA 0.873 5.423 4.550 0.001 0.000 0.336 298 Y C -1.657 174.357 175.900 0.189 0.000 1.129 298 Y CA -1.394 56.785 58.100 0.131 0.000 1.040 298 Y CB 0.883 39.397 38.460 0.090 0.000 1.310 298 Y HN 0.405 nan 8.280 nan 0.000 0.460 299 V N 0.219 120.340 119.914 0.345 0.000 2.971 299 V HA 0.982 5.103 4.120 0.001 0.000 0.309 299 V C -0.363 175.897 176.094 0.277 0.000 1.130 299 V CA -0.513 61.949 62.300 0.271 0.000 0.964 299 V CB 1.740 33.668 31.823 0.176 0.000 1.029 299 V HN 1.388 nan 8.190 nan 0.000 0.427 300 G N 2.697 111.628 108.800 0.218 0.000 2.733 300 G HA2 0.687 4.648 3.960 0.001 0.000 0.289 300 G HA3 0.687 4.648 3.960 0.001 0.000 0.289 300 G C -1.370 173.580 174.900 0.084 0.000 1.473 300 G CA -0.459 44.752 45.100 0.186 0.000 1.123 300 G HN 0.804 nan 8.290 nan 0.000 0.544 301 M N 2.828 122.419 119.600 -0.015 0.000 2.371 301 M HA 0.646 5.127 4.480 0.001 0.000 0.287 301 M C -2.375 173.771 176.300 -0.257 0.000 1.149 301 M CA -1.067 54.122 55.300 -0.184 0.000 0.929 301 M CB 2.751 35.099 32.600 -0.419 0.000 1.683 301 M HN 0.555 nan 8.290 nan 0.000 0.470 302 Y N 3.488 123.534 120.300 -0.423 0.000 2.350 302 Y HA 0.580 5.131 4.550 0.001 0.000 0.338 302 Y C -1.479 174.143 175.900 -0.464 0.000 0.961 302 Y CA -0.249 57.443 58.100 -0.681 0.000 1.100 302 Y CB 1.480 39.441 38.460 -0.831 0.000 1.179 302 Y HN 0.741 nan 8.280 nan 0.000 0.454 303 Q N 5.401 124.567 119.800 -1.057 0.000 2.285 303 Q HA 0.382 4.722 4.340 0.001 0.000 0.269 303 Q C -2.080 173.495 176.000 -0.708 0.000 1.030 303 Q CA -0.799 54.622 55.803 -0.636 0.000 0.788 303 Q CB 1.411 29.992 28.738 -0.262 0.000 1.266 303 Q HN 0.778 nan 8.270 nan 0.000 0.438 304 N N 4.498 122.900 118.700 -0.497 0.000 2.491 304 N HA 0.386 5.126 4.740 0.001 0.000 0.274 304 N C -1.641 173.762 175.510 -0.178 0.000 1.023 304 N CA -0.375 52.481 53.050 -0.323 0.000 0.902 304 N CB 1.109 39.471 38.487 -0.208 0.000 1.267 304 N HN 0.626 nan 8.380 nan 0.000 0.503 305 I N 1.988 122.396 120.570 -0.269 0.000 2.307 305 I HA 0.186 4.356 4.170 0.001 0.000 0.287 305 I C -0.269 175.579 176.117 -0.448 0.000 1.054 305 I CA -0.584 60.441 61.300 -0.458 0.000 1.218 305 I CB 0.805 38.359 38.000 -0.742 0.000 1.398 305 I HN 0.458 nan 8.210 nan 0.000 0.475 306 D N 7.585 127.820 120.400 -0.275 0.000 2.456 306 D HA 0.144 4.785 4.640 0.001 0.000 0.219 306 D C -0.971 175.318 176.300 -0.020 0.000 1.126 306 D CA -0.198 53.746 54.000 -0.094 0.000 0.890 306 D CB 0.545 41.376 40.800 0.052 0.000 1.025 306 D HN 0.187 nan 8.370 nan 0.000 0.511 307 W N 2.488 123.802 121.300 0.023 0.000 2.438 307 W HA 0.196 4.856 4.660 0.001 0.000 0.324 307 W C 1.170 177.703 176.519 0.023 0.000 1.119 307 W CA -0.918 56.435 57.345 0.014 0.000 1.221 307 W CB 1.185 30.642 29.460 -0.005 0.000 1.253 307 W HN 0.338 nan 8.180 nan 0.000 0.555 308 D N 1.252 121.826 120.400 0.289 0.000 2.116 308 D HA -0.238 4.402 4.640 0.001 0.000 0.193 308 D C 1.559 177.941 176.300 0.138 0.000 0.998 308 D CA 1.909 56.008 54.000 0.164 0.000 0.836 308 D CB -0.261 40.608 40.800 0.114 0.000 0.951 308 D HN 0.431 nan 8.370 nan 0.000 0.449 309 N N 0.205 118.980 118.700 0.126 0.000 2.575 309 N HA -0.101 4.640 4.740 0.001 0.000 0.192 309 N C -0.066 175.521 175.510 0.128 0.000 1.200 309 N CA 0.298 53.404 53.050 0.094 0.000 0.897 309 N CB -0.460 38.038 38.487 0.018 0.000 0.990 309 N HN 0.031 nan 8.380 nan 0.000 0.449 310 N N -0.769 118.032 118.700 0.169 0.000 2.753 310 N HA -0.173 4.568 4.740 0.001 0.000 0.251 310 N C -0.481 175.108 175.510 0.133 0.000 1.097 310 N CA 0.939 54.071 53.050 0.136 0.000 0.786 310 N CB -1.285 37.256 38.487 0.090 0.000 1.137 310 N HN 0.456 nan 8.380 nan 0.000 0.566 311 L N -0.012 121.342 121.223 0.219 0.000 2.688 311 L HA 0.234 4.575 4.340 0.001 0.000 0.234 311 L C 1.755 178.836 176.870 0.351 0.000 1.192 311 L CA 0.025 54.991 54.840 0.210 0.000 0.984 311 L CB 0.010 42.119 42.059 0.084 0.000 1.232 311 L HN 0.105 nan 8.230 nan 0.000 0.465 312 G N 0.295 109.215 108.800 0.201 0.000 2.494 312 G HA2 0.517 4.477 3.960 0.001 0.000 0.270 312 G HA3 0.517 4.477 3.960 0.001 0.000 0.270 312 G C -0.219 174.597 174.900 -0.140 0.000 1.423 312 G CA 0.195 45.213 45.100 -0.136 0.000 1.055 312 G HN 0.211 nan 8.290 nan 0.000 0.536 313 T N -3.025 111.413 114.554 -0.193 0.000 2.932 313 T HA 0.557 4.908 4.350 0.001 0.000 0.318 313 T C -1.314 173.336 174.700 -0.084 0.000 1.265 313 T CA -0.750 61.291 62.100 -0.098 0.000 1.036 313 T CB 2.401 71.271 68.868 0.003 0.000 1.209 313 T HN 0.544 nan 8.240 nan 0.000 0.484 314 E N 1.189 121.384 120.200 -0.008 0.000 2.165 314 E HA 0.464 4.814 4.350 0.001 0.000 0.266 314 E C -1.774 174.881 176.600 0.091 0.000 0.889 314 E CA -0.755 55.621 56.400 -0.039 0.000 0.756 314 E CB 1.132 30.876 29.700 0.074 0.000 1.131 314 E HN 0.666 nan 8.360 nan 0.000 0.411 315 W N 6.496 127.593 121.300 -0.339 0.000 2.739 315 W HA 0.491 5.151 4.660 0.001 0.000 0.331 315 W C -2.124 174.207 176.519 -0.313 0.000 1.049 315 W CA -1.297 55.927 57.345 -0.203 0.000 1.234 315 W CB 0.823 30.178 29.460 -0.175 0.000 1.404 315 W HN 0.495 nan 8.180 nan 0.000 0.477 316 W N 4.745 126.083 121.300 0.064 0.000 2.702 316 W HA 0.583 5.244 4.660 0.001 0.000 0.331 316 W C -0.243 176.158 176.519 -0.197 0.000 1.049 316 W CA -0.792 56.515 57.345 -0.063 0.000 1.230 316 W CB 2.455 32.022 29.460 0.177 0.000 1.408 316 W HN 0.278 nan 8.180 nan 0.000 0.492 317 T N 2.381 116.902 114.554 -0.055 0.000 2.952 317 T HA 0.725 5.076 4.350 0.001 0.000 0.305 317 T C -1.830 172.989 174.700 0.198 0.000 1.064 317 T CA -0.458 61.669 62.100 0.046 0.000 1.008 317 T CB 0.869 69.595 68.868 -0.237 0.000 1.078 317 T HN 0.199 nan 8.240 nan 0.000 0.459 318 V N 2.811 122.923 119.914 0.329 0.000 2.851 318 V HA 0.955 5.075 4.120 0.001 0.000 0.307 318 V C 0.352 176.569 176.094 0.206 0.000 1.129 318 V CA -0.579 61.888 62.300 0.277 0.000 0.932 318 V CB 1.828 33.792 31.823 0.236 0.000 1.024 318 V HN 1.180 nan 8.190 nan 0.000 0.426 319 G N 1.397 110.325 108.800 0.213 0.000 2.677 319 G HA2 0.725 4.685 3.960 0.001 0.000 0.291 319 G HA3 0.725 4.685 3.960 0.001 0.000 0.291 319 G C -2.226 172.775 174.900 0.169 0.000 1.435 319 G CA -0.690 44.442 45.100 0.053 0.000 0.826 319 G HN 0.727 nan 8.290 nan 0.000 0.491 320 V N -0.167 119.813 119.914 0.109 0.000 2.932 320 V HA 0.805 4.925 4.120 0.001 0.000 0.307 320 V C -0.936 175.240 176.094 0.137 0.000 1.147 320 V CA -0.911 61.479 62.300 0.150 0.000 0.951 320 V CB 2.372 34.253 31.823 0.096 0.000 1.031 320 V HN 0.933 nan 8.190 nan 0.000 0.426 321 R N 6.299 126.891 120.500 0.153 0.000 2.607 321 R HA 0.496 4.837 4.340 0.001 0.000 0.278 321 R C -2.920 173.464 176.300 0.140 0.000 1.637 321 R CA -1.242 54.942 56.100 0.140 0.000 1.325 321 R CB 2.010 32.390 30.300 0.133 0.000 1.211 321 R HN 0.493 nan 8.270 nan 0.000 0.565 322 P HA 0.202 nan 4.420 nan 0.000 0.281 322 P C -1.098 176.362 177.300 0.265 0.000 1.249 322 P CA -0.560 62.686 63.100 0.243 0.000 0.810 322 P CB 1.576 33.437 31.700 0.268 0.000 1.008 323 M N 3.511 123.278 119.600 0.278 0.000 2.197 323 M HA 0.332 4.812 4.480 0.001 0.000 0.301 323 M C -1.993 174.287 176.300 -0.033 0.000 0.987 323 M CA -1.013 54.357 55.300 0.117 0.000 0.921 323 M CB 1.617 34.236 32.600 0.032 0.000 1.569 323 M HN 0.290 nan 8.290 nan 0.000 0.431 324 Y N 4.745 124.795 120.300 -0.418 0.000 2.328 324 Y HA 0.433 4.983 4.550 0.001 0.000 0.337 324 Y C -0.877 174.584 175.900 -0.731 0.000 1.008 324 Y CA -0.339 57.166 58.100 -0.992 0.000 1.129 324 Y CB 1.054 38.733 38.460 -1.301 0.000 1.185 324 Y HN 0.538 nan 8.280 nan 0.000 0.476 325 K N 6.571 126.188 120.400 -1.304 0.000 2.257 325 K HA 0.070 4.391 4.320 0.001 0.000 0.270 325 K C -0.135 175.906 176.600 -0.930 0.000 1.098 325 K CA -0.266 55.522 56.287 -0.831 0.000 0.943 325 K CB 0.468 32.653 32.500 -0.524 0.000 1.316 325 K HN 0.825 nan 8.250 nan 0.000 0.447 326 W N 1.803 122.846 121.300 -0.428 0.000 2.355 326 W HA -0.186 4.475 4.660 0.001 0.000 0.309 326 W C 1.453 177.866 176.519 -0.177 0.000 1.206 326 W CA 1.080 58.299 57.345 -0.209 0.000 1.284 326 W CB 0.043 29.458 29.460 -0.076 0.000 1.145 326 W HN 0.477 nan 8.180 nan 0.000 0.502 327 T N -5.637 108.959 114.554 0.070 0.000 2.804 327 T HA 0.349 4.700 4.350 0.001 0.000 0.290 327 T C -2.308 172.380 174.700 -0.021 0.000 1.099 327 T CA -1.694 60.422 62.100 0.027 0.000 1.011 327 T CB 1.667 70.580 68.868 0.074 0.000 1.291 327 T HN -0.435 nan 8.240 nan 0.000 0.523 328 P HA 0.074 nan 4.420 nan 0.000 0.218 328 P C 1.183 178.491 177.300 0.014 0.000 1.149 328 P CA 0.725 63.821 63.100 -0.006 0.000 0.817 328 P CB -0.254 31.453 31.700 0.012 0.000 0.785 329 I N -6.514 114.082 120.570 0.044 0.000 3.976 329 I HA 0.369 4.540 4.170 0.001 0.000 0.337 329 I C 0.489 176.640 176.117 0.057 0.000 1.359 329 I CA 0.120 61.465 61.300 0.076 0.000 1.098 329 I CB -0.154 37.922 38.000 0.126 0.000 1.027 329 I HN -0.200 nan 8.210 nan 0.000 0.394 330 M N 1.869 121.459 119.600 -0.016 0.000 2.326 330 M HA 0.709 5.189 4.480 0.001 0.000 0.292 330 M C -1.285 174.978 176.300 -0.061 0.000 1.081 330 M CA -0.245 54.950 55.300 -0.174 0.000 0.919 330 M CB 1.897 34.374 32.600 -0.205 0.000 1.634 330 M HN 0.317 nan 8.290 nan 0.000 0.451 331 S N 2.022 117.662 115.700 -0.099 0.000 2.671 331 S HA 0.757 5.227 4.470 0.001 0.000 0.277 331 S C -1.079 173.583 174.600 0.103 0.000 1.165 331 S CA -0.751 57.474 58.200 0.042 0.000 0.822 331 S CB 2.272 65.425 63.200 -0.079 0.000 1.150 331 S HN 0.633 nan 8.310 nan 0.000 0.479 332 T N 1.405 116.068 114.554 0.182 0.000 2.812 332 T HA 0.656 5.006 4.350 0.001 0.000 0.282 332 T C -0.943 173.837 174.700 0.133 0.000 0.990 332 T CA -0.402 61.825 62.100 0.213 0.000 0.960 332 T CB 0.635 69.761 68.868 0.429 0.000 0.948 332 T HN 0.517 nan 8.240 nan 0.000 0.438 333 L N 3.248 124.551 121.223 0.133 0.000 2.342 333 L HA 0.801 5.141 4.340 0.001 0.000 0.271 333 L C -0.976 175.994 176.870 0.167 0.000 1.008 333 L CA -1.019 53.905 54.840 0.139 0.000 0.818 333 L CB 1.822 43.953 42.059 0.120 0.000 1.296 333 L HN 0.417 nan 8.230 nan 0.000 0.427 334 L N 2.019 123.345 121.223 0.171 0.000 2.436 334 L HA 0.582 4.923 4.340 0.001 0.000 0.268 334 L C -1.047 175.917 176.870 0.156 0.000 0.974 334 L CA -0.011 54.931 54.840 0.170 0.000 0.826 334 L CB 2.029 44.189 42.059 0.168 0.000 1.291 334 L HN 0.678 nan 8.230 nan 0.000 0.406 335 E N 3.771 124.065 120.200 0.157 0.000 2.246 335 E HA 0.684 5.034 4.350 0.001 0.000 0.266 335 E C -2.020 174.648 176.600 0.114 0.000 0.880 335 E CA -0.713 55.772 56.400 0.143 0.000 0.762 335 E CB 2.016 31.818 29.700 0.170 0.000 1.180 335 E HN 0.492 nan 8.360 nan 0.000 0.416 336 V N 3.339 123.283 119.914 0.049 0.000 2.483 336 V HA 0.765 4.885 4.120 0.001 0.000 0.297 336 V C 0.116 176.092 176.094 -0.197 0.000 1.027 336 V CA -0.441 61.862 62.300 0.005 0.000 0.855 336 V CB 1.686 33.527 31.823 0.030 0.000 0.995 336 V HN 0.744 nan 8.190 nan 0.000 0.424 337 G N 2.863 111.452 108.800 -0.352 0.000 2.591 337 G HA2 0.626 4.586 3.960 0.001 0.000 0.306 337 G HA3 0.626 4.586 3.960 0.001 0.000 0.306 337 G C -2.200 172.566 174.900 -0.224 0.000 1.334 337 G CA -0.581 43.940 45.100 -0.965 0.000 0.981 337 G HN 0.559 nan 8.290 nan 0.000 0.491 338 Y N 1.343 121.551 120.300 -0.152 0.000 2.425 338 Y HA 0.600 5.150 4.550 0.001 0.000 0.344 338 Y C -1.082 174.992 175.900 0.290 0.000 0.969 338 Y CA -1.073 57.105 58.100 0.131 0.000 1.052 338 Y CB 2.192 40.706 38.460 0.091 0.000 1.215 338 Y HN 0.423 nan 8.280 nan 0.000 0.451 339 D N 4.524 124.740 120.400 -0.306 0.000 2.619 339 D HA 0.231 4.871 4.640 0.001 0.000 0.241 339 D C -1.520 174.581 176.300 -0.331 0.000 1.087 339 D CA -0.522 53.449 54.000 -0.048 0.000 0.851 339 D CB 2.119 43.068 40.800 0.248 0.000 1.474 339 D HN 0.561 nan 8.370 nan 0.000 0.478 340 N N 1.644 120.380 118.700 0.061 0.000 2.500 340 N HA 0.272 5.013 4.740 0.001 0.000 0.291 340 N C -1.814 173.944 175.510 0.415 0.000 1.092 340 N CA -0.347 52.795 53.050 0.152 0.000 0.890 340 N CB 1.888 40.496 38.487 0.203 0.000 1.466 340 N HN 0.045 nan 8.380 nan 0.000 0.507 341 V N 3.255 123.358 119.914 0.314 0.000 2.444 341 V HA 0.415 4.536 4.120 0.001 0.000 0.294 341 V C 0.223 176.590 176.094 0.454 0.000 1.022 341 V CA -0.897 61.613 62.300 0.349 0.000 0.850 341 V CB 1.667 33.610 31.823 0.200 0.000 0.992 341 V HN 0.466 nan 8.190 nan 0.000 0.426 342 K N 2.856 123.454 120.400 0.329 0.000 2.213 342 K HA 0.408 4.728 4.320 0.001 0.000 0.270 342 K C 0.110 176.653 176.600 -0.096 0.000 1.002 342 K CA -0.054 56.341 56.287 0.180 0.000 0.868 342 K CB 1.669 34.268 32.500 0.166 0.000 1.093 342 K HN 0.750 nan 8.250 nan 0.000 0.454 343 S N 3.054 118.395 115.700 -0.599 0.000 2.510 343 S HA -0.017 4.453 4.470 0.001 0.000 0.279 343 S C 1.113 175.431 174.600 -0.471 0.000 1.284 343 S CA 0.020 57.599 58.200 -1.034 0.000 1.059 343 S CB 1.145 63.206 63.200 -1.898 0.000 0.901 343 S HN 0.781 nan 8.310 nan 0.000 0.491 344 Q N 3.208 122.829 119.800 -0.300 0.000 2.167 344 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 344 Q C 1.990 177.918 176.000 -0.120 0.000 0.970 344 Q CA 1.407 57.126 55.803 -0.140 0.000 0.855 344 Q CB -0.131 28.566 28.738 -0.069 0.000 0.911 344 Q HN 0.950 nan 8.270 nan 0.000 0.438 345 Q N -0.366 119.338 119.800 -0.161 0.000 1.965 345 Q HA -0.151 4.189 4.340 0.001 0.000 0.200 345 Q C 2.032 177.971 176.000 -0.102 0.000 0.981 345 Q CA 2.188 57.938 55.803 -0.088 0.000 0.834 345 Q CB -0.082 28.622 28.738 -0.056 0.000 0.900 345 Q HN 0.531 nan 8.270 nan 0.000 0.426 346 T N -3.962 110.476 114.554 -0.194 0.000 3.035 346 T HA 0.184 4.535 4.350 0.001 0.000 0.259 346 T C 1.340 175.970 174.700 -0.116 0.000 1.078 346 T CA 1.084 63.105 62.100 -0.133 0.000 1.132 346 T CB 0.283 69.074 68.868 -0.129 0.000 0.900 346 T HN 0.623 nan 8.240 nan 0.000 0.480 347 G N 1.188 109.883 108.800 -0.176 0.000 2.176 347 G HA2 -0.199 3.762 3.960 0.001 0.000 0.253 347 G HA3 -0.199 3.762 3.960 0.001 0.000 0.253 347 G C -0.181 174.687 174.900 -0.054 0.000 0.979 347 G CA 0.168 45.214 45.100 -0.091 0.000 0.641 347 G HN 0.615 nan 8.290 nan 0.000 0.530 348 D N 0.193 120.538 120.400 -0.091 0.000 2.358 348 D HA 0.511 5.152 4.640 0.001 0.000 0.244 348 D C 0.834 177.254 176.300 0.200 0.000 1.163 348 D CA 0.125 54.173 54.000 0.079 0.000 0.945 348 D CB 0.609 41.523 40.800 0.191 0.000 1.152 348 D HN 0.335 nan 8.370 nan 0.000 0.451 349 R N 0.984 121.689 120.500 0.343 0.000 2.670 349 R HA 0.397 4.737 4.340 0.001 0.000 0.289 349 R C -0.647 175.860 176.300 0.346 0.000 0.965 349 R CA -0.834 55.501 56.100 0.392 0.000 0.899 349 R CB 1.456 31.913 30.300 0.261 0.000 1.173 349 R HN 0.302 nan 8.270 nan 0.000 0.456 350 N N 1.745 120.614 118.700 0.281 0.000 2.321 350 N HA 0.315 5.056 4.740 0.001 0.000 0.299 350 N C -1.265 174.293 175.510 0.080 0.000 1.048 350 N CA -0.735 52.338 53.050 0.038 0.000 0.836 350 N CB 1.781 40.109 38.487 -0.266 0.000 1.269 350 N HN 0.634 nan 8.380 nan 0.000 0.486 351 N N -0.231 118.520 118.700 0.085 0.000 2.416 351 N HA 0.477 5.218 4.740 0.001 0.000 0.276 351 N C -1.518 174.065 175.510 0.122 0.000 1.261 351 N CA -0.798 52.292 53.050 0.067 0.000 0.790 351 N CB 2.148 40.713 38.487 0.131 0.000 1.554 351 N HN 0.456 nan 8.380 nan 0.000 0.481 352 Q N -0.051 119.801 119.800 0.087 0.000 2.426 352 Q HA 0.391 4.732 4.340 0.001 0.000 0.278 352 Q C -2.108 174.060 176.000 0.280 0.000 1.007 352 Q CA -0.890 55.023 55.803 0.184 0.000 0.850 352 Q CB 1.711 30.535 28.738 0.143 0.000 1.427 352 Q HN 0.781 nan 8.270 nan 0.000 0.391 353 Y N 0.330 120.755 120.300 0.209 0.000 2.421 353 Y HA 0.718 5.269 4.550 0.001 0.000 0.339 353 Y C -1.704 174.279 175.900 0.139 0.000 0.996 353 Y CA -0.929 57.300 58.100 0.215 0.000 1.046 353 Y CB 1.367 39.998 38.460 0.284 0.000 1.226 353 Y HN 0.644 nan 8.280 nan 0.000 0.445 354 K N 4.493 125.053 120.400 0.267 0.000 2.378 354 K HA 0.750 5.070 4.320 0.001 0.000 0.252 354 K C -1.866 174.897 176.600 0.272 0.000 0.931 354 K CA -0.642 55.761 56.287 0.192 0.000 0.794 354 K CB 1.856 34.484 32.500 0.215 0.000 1.181 354 K HN 0.679 nan 8.250 nan 0.000 0.425 355 I N 2.926 123.690 120.570 0.323 0.000 2.433 355 I HA 0.361 4.531 4.170 0.001 0.000 0.292 355 I C -0.697 175.602 176.117 0.304 0.000 1.001 355 I CA -0.609 60.874 61.300 0.306 0.000 1.119 355 I CB 1.396 39.603 38.000 0.345 0.000 1.289 355 I HN 0.768 nan 8.210 nan 0.000 0.438 356 T N 6.764 121.472 114.554 0.257 0.000 2.861 356 T HA 0.512 4.862 4.350 0.001 0.000 0.287 356 T C -0.646 174.205 174.700 0.251 0.000 1.003 356 T CA -0.502 61.766 62.100 0.279 0.000 0.977 356 T CB 2.137 71.150 68.868 0.241 0.000 0.996 356 T HN 0.313 nan 8.240 nan 0.000 0.448 357 L N 3.236 124.630 121.223 0.284 0.000 2.349 357 L HA 0.858 5.199 4.340 0.001 0.000 0.278 357 L C -1.046 175.995 176.870 0.286 0.000 0.996 357 L CA -0.531 54.455 54.840 0.243 0.000 0.825 357 L CB 0.899 43.081 42.059 0.206 0.000 1.243 357 L HN 0.863 nan 8.230 nan 0.000 0.412 358 A N 4.437 127.405 122.820 0.246 0.000 2.449 358 A HA 0.648 4.968 4.320 0.001 0.000 0.302 358 A C -1.226 176.457 177.584 0.164 0.000 1.048 358 A CA -0.554 51.641 52.037 0.263 0.000 0.708 358 A CB 1.986 21.165 19.000 0.297 0.000 1.274 358 A HN 0.626 nan 8.150 nan 0.000 0.410 359 Q N 0.872 120.747 119.800 0.125 0.000 2.256 359 Q HA 0.594 4.935 4.340 0.001 0.000 0.257 359 Q C -0.566 175.347 176.000 -0.146 0.000 0.936 359 Q CA 0.007 55.773 55.803 -0.063 0.000 0.903 359 Q CB 1.223 29.899 28.738 -0.103 0.000 1.263 359 Q HN 0.759 nan 8.270 nan 0.000 0.440 360 Q N 3.273 122.858 119.800 -0.359 0.000 2.379 360 Q HA 0.434 4.774 4.340 0.001 0.000 0.278 360 Q C -1.603 174.132 176.000 -0.441 0.000 1.068 360 Q CA -0.604 55.069 55.803 -0.217 0.000 0.816 360 Q CB 1.317 30.052 28.738 -0.004 0.000 1.387 360 Q HN 0.682 nan 8.270 nan 0.000 0.413 361 W N 4.512 125.854 121.300 0.071 0.000 2.471 361 W HA 0.352 5.012 4.660 0.001 0.000 0.318 361 W C -0.343 176.197 176.519 0.035 0.000 1.034 361 W CA -0.498 56.877 57.345 0.051 0.000 1.224 361 W CB 2.015 31.499 29.460 0.040 0.000 1.335 361 W HN 0.647 nan 8.180 nan 0.000 0.452 362 Q N 1.248 121.154 119.800 0.178 0.000 2.456 362 Q HA 0.618 4.958 4.340 0.001 0.000 0.283 362 Q C -1.126 174.928 176.000 0.090 0.000 1.084 362 Q CA -0.849 55.018 55.803 0.107 0.000 0.801 362 Q CB 1.803 30.571 28.738 0.051 0.000 1.434 362 Q HN 0.418 nan 8.270 nan 0.000 0.419 363 A N 0.832 123.691 122.820 0.064 0.000 3.037 363 A HA 0.624 4.945 4.320 0.001 0.000 0.272 363 A C 0.501 178.123 177.584 0.063 0.000 1.723 363 A CA 0.614 52.688 52.037 0.062 0.000 1.413 363 A CB -1.301 17.730 19.000 0.051 0.000 1.112 363 A HN 1.287 nan 8.150 nan 0.000 0.606 364 G N 0.718 109.555 108.800 0.062 0.000 2.347 364 G HA2 0.280 4.240 3.960 0.001 0.000 0.321 364 G HA3 0.280 4.240 3.960 0.001 0.000 0.321 364 G C -0.633 174.295 174.900 0.047 0.000 1.412 364 G CA -0.058 45.079 45.100 0.061 0.000 0.990 364 G HN 0.577 nan 8.290 nan 0.000 0.637 365 D N -0.803 119.621 120.400 0.040 0.000 2.587 365 D HA 0.418 5.058 4.640 0.001 0.000 0.233 365 D C 0.610 176.924 176.300 0.023 0.000 1.213 365 D CA 0.243 54.250 54.000 0.011 0.000 0.827 365 D CB 0.753 41.548 40.800 -0.009 0.000 1.006 365 D HN 0.491 nan 8.370 nan 0.000 0.490 366 S N -0.278 115.460 115.700 0.064 0.000 2.607 366 S HA 0.416 4.886 4.470 0.001 0.000 0.303 366 S C 0.779 175.419 174.600 0.067 0.000 1.086 366 S CA -0.876 57.385 58.200 0.100 0.000 0.995 366 S CB 1.302 64.626 63.200 0.205 0.000 1.084 366 S HN 0.199 nan 8.310 nan 0.000 0.507 367 I N 2.165 122.739 120.570 0.007 0.000 2.756 367 I HA 0.038 4.208 4.170 0.001 0.000 0.262 367 I C 0.447 176.478 176.117 -0.144 0.000 1.225 367 I CA 1.011 62.242 61.300 -0.116 0.000 1.472 367 I CB 0.093 37.961 38.000 -0.221 0.000 1.094 367 I HN 0.768 nan 8.210 nan 0.000 0.454 368 W N 0.273 121.637 121.300 0.106 0.000 3.211 368 W HA 0.194 4.854 4.660 0.001 0.000 0.292 368 W C 1.239 177.858 176.519 0.166 0.000 1.268 368 W CA -0.491 56.969 57.345 0.191 0.000 1.702 368 W CB 0.073 29.663 29.460 0.216 0.000 1.092 368 W HN -0.112 nan 8.180 nan 0.000 0.643 369 S N 2.164 118.017 115.700 0.255 0.000 2.533 369 S HA 0.322 4.792 4.470 0.001 0.000 0.282 369 S C 0.270 174.846 174.600 -0.039 0.000 1.304 369 S CA -0.142 58.138 58.200 0.133 0.000 1.063 369 S CB 0.446 63.703 63.200 0.095 0.000 0.881 369 S HN 0.001 nan 8.310 nan 0.000 0.493 370 R N 2.295 122.716 120.500 -0.131 0.000 2.740 370 R HA 0.519 4.859 4.340 0.001 0.000 0.273 370 R C -2.786 173.445 176.300 -0.115 0.000 0.998 370 R CA -2.139 53.780 56.100 -0.301 0.000 0.900 370 R CB 0.634 30.411 30.300 -0.873 0.000 1.223 370 R HN 0.388 nan 8.270 nan 0.000 0.466 371 P HA 0.307 nan 4.420 nan 0.000 0.271 371 P C -1.088 176.183 177.300 -0.048 0.000 1.244 371 P CA -0.323 62.725 63.100 -0.087 0.000 0.793 371 P CB 0.709 32.386 31.700 -0.038 0.000 0.984 372 A N 1.069 123.874 122.820 -0.024 0.000 2.488 372 A HA 0.674 4.994 4.320 0.001 0.000 0.298 372 A C -0.948 176.700 177.584 0.106 0.000 1.044 372 A CA -0.659 51.408 52.037 0.050 0.000 0.693 372 A CB 1.006 20.016 19.000 0.016 0.000 1.272 372 A HN 0.413 nan 8.150 nan 0.000 0.402 373 I N 1.809 122.502 120.570 0.205 0.000 2.436 373 I HA 0.515 4.686 4.170 0.001 0.000 0.289 373 I C -0.014 176.328 176.117 0.376 0.000 1.010 373 I CA -0.402 61.044 61.300 0.243 0.000 1.098 373 I CB 2.028 40.151 38.000 0.203 0.000 1.266 373 I HN 0.739 nan 8.210 nan 0.000 0.434 374 R N 6.574 127.277 120.500 0.337 0.000 2.803 374 R HA 0.770 5.110 4.340 0.001 0.000 0.276 374 R C -0.998 175.555 176.300 0.421 0.000 0.978 374 R CA -0.845 55.485 56.100 0.384 0.000 0.939 374 R CB 2.567 33.080 30.300 0.355 0.000 1.179 374 R HN 0.581 nan 8.270 nan 0.000 0.472 375 I N -0.484 120.329 120.570 0.406 0.000 2.466 375 I HA 0.646 4.816 4.170 0.001 0.000 0.289 375 I C -0.963 175.350 176.117 0.327 0.000 1.026 375 I CA -0.885 60.594 61.300 0.299 0.000 1.078 375 I CB 1.321 39.494 38.000 0.288 0.000 1.249 375 I HN 0.561 nan 8.210 nan 0.000 0.429 376 F N 3.765 123.888 119.950 0.289 0.000 2.675 376 F HA 1.004 5.531 4.527 0.001 0.000 0.324 376 F C -1.008 175.016 175.800 0.374 0.000 1.106 376 F CA -1.273 56.898 58.000 0.286 0.000 0.970 376 F CB 1.586 40.742 39.000 0.260 0.000 1.385 376 F HN 0.663 nan 8.300 nan 0.000 0.489 377 A N 0.972 124.168 122.820 0.626 0.000 2.408 377 A HA 0.728 5.049 4.320 0.001 0.000 0.295 377 A C -1.206 176.786 177.584 0.680 0.000 1.040 377 A CA -0.568 51.852 52.037 0.638 0.000 0.707 377 A CB 1.312 20.577 19.000 0.442 0.000 1.235 377 A HN 0.840 nan 8.150 nan 0.000 0.418 378 T N 1.576 116.586 114.554 0.760 0.000 2.863 378 T HA 0.625 4.976 4.350 0.001 0.000 0.285 378 T C -1.562 173.526 174.700 0.646 0.000 1.009 378 T CA -0.129 62.347 62.100 0.626 0.000 0.989 378 T CB 1.090 70.309 68.868 0.586 0.000 1.004 378 T HN 0.626 nan 8.240 nan 0.000 0.455 379 Y N 1.594 122.102 120.300 0.346 0.000 2.406 379 Y HA 0.675 5.225 4.550 0.001 0.000 0.340 379 Y C -1.214 174.715 175.900 0.049 0.000 0.975 379 Y CA -0.935 57.295 58.100 0.217 0.000 1.056 379 Y CB 1.204 39.758 38.460 0.157 0.000 1.210 379 Y HN 0.810 nan 8.280 nan 0.000 0.448 380 A N 5.343 127.625 122.820 -0.897 0.000 2.422 380 A HA 0.740 5.061 4.320 0.001 0.000 0.302 380 A C -1.822 175.159 177.584 -1.005 0.000 1.041 380 A CA -0.885 50.687 52.037 -0.775 0.000 0.708 380 A CB 1.557 20.188 19.000 -0.615 0.000 1.257 380 A HN 0.606 nan 8.150 nan 0.000 0.414 381 K N 1.552 121.425 120.400 -0.878 0.000 2.397 381 K HA 0.715 5.036 4.320 0.001 0.000 0.253 381 K C -1.524 174.886 176.600 -0.316 0.000 0.932 381 K CA -0.363 55.442 56.287 -0.804 0.000 0.795 381 K CB 0.928 32.923 32.500 -0.841 0.000 1.159 381 K HN 0.896 nan 8.250 nan 0.000 0.424 382 W N 1.570 122.714 121.300 -0.260 0.000 3.033 382 W HA 0.613 5.273 4.660 0.001 0.000 0.336 382 W C -1.361 175.119 176.519 -0.065 0.000 1.173 382 W CA -0.833 56.433 57.345 -0.132 0.000 1.185 382 W CB 1.197 30.582 29.460 -0.126 0.000 1.425 382 W HN 0.553 nan 8.180 nan 0.000 0.536 383 D N 1.338 121.867 120.400 0.216 0.000 2.358 383 D HA 0.219 4.859 4.640 0.001 0.000 0.253 383 D C -1.284 175.102 176.300 0.143 0.000 1.288 383 D CA -0.231 53.849 54.000 0.133 0.000 0.950 383 D CB 0.913 41.773 40.800 0.098 0.000 1.197 383 D HN 0.501 nan 8.370 nan 0.000 0.550 384 E N 3.127 123.411 120.200 0.141 0.000 2.109 384 E HA 0.230 4.581 4.350 0.001 0.000 0.278 384 E C 0.587 177.196 176.600 0.016 0.000 0.954 384 E CA -0.768 55.638 56.400 0.010 0.000 0.779 384 E CB 1.850 31.496 29.700 -0.090 0.000 1.093 384 E HN 0.192 nan 8.360 nan 0.000 0.401 385 K N 2.193 122.624 120.400 0.052 0.000 2.314 385 K HA 0.053 4.373 4.320 0.001 0.000 0.198 385 K C 0.473 177.190 176.600 0.195 0.000 1.045 385 K CA 0.587 56.955 56.287 0.134 0.000 0.988 385 K CB 0.399 33.014 32.500 0.191 0.000 0.783 385 K HN 0.599 nan 8.250 nan 0.000 0.484 386 W N -0.460 120.835 121.300 -0.007 0.000 3.017 386 W HA 0.671 5.332 4.660 0.001 0.000 0.341 386 W C -0.605 175.862 176.519 -0.087 0.000 1.180 386 W CA -1.058 56.259 57.345 -0.048 0.000 1.097 386 W CB 0.672 30.086 29.460 -0.076 0.000 1.468 386 W HN -0.060 nan 8.180 nan 0.000 0.584 387 G N -0.102 108.750 108.800 0.087 0.000 2.576 387 G HA2 0.497 4.457 3.960 0.001 0.000 0.290 387 G HA3 0.497 4.457 3.960 0.001 0.000 0.290 387 G C -2.715 172.214 174.900 0.048 0.000 1.442 387 G CA -1.049 43.941 45.100 -0.184 0.000 0.792 387 G HN 0.422 nan 8.290 nan 0.000 0.491 388 Y N 0.161 120.563 120.300 0.169 0.000 2.309 388 Y HA 0.390 4.941 4.550 0.001 0.000 0.327 388 Y C 1.437 177.423 175.900 0.144 0.000 1.172 388 Y CA -0.236 57.989 58.100 0.209 0.000 1.280 388 Y CB 0.962 39.512 38.460 0.151 0.000 1.234 388 Y HN 0.273 nan 8.280 nan 0.000 0.512 389 I N 3.907 124.664 120.570 0.312 0.000 2.671 389 I HA -0.075 4.096 4.170 0.001 0.000 0.285 389 I C 0.336 176.558 176.117 0.175 0.000 1.148 389 I CA 0.294 61.720 61.300 0.209 0.000 1.386 389 I CB 0.148 38.269 38.000 0.201 0.000 1.406 389 I HN 0.446 nan 8.210 nan 0.000 0.540 390 K N 5.975 126.451 120.400 0.127 0.000 2.262 390 K HA 0.041 4.361 4.320 0.001 0.000 0.288 390 K C 0.004 176.649 176.600 0.075 0.000 1.090 390 K CA -0.365 55.978 56.287 0.094 0.000 0.918 390 K CB 0.190 32.733 32.500 0.071 0.000 1.139 390 K HN 0.416 nan 8.250 nan 0.000 0.462 391 D N 4.166 124.610 120.400 0.074 0.000 2.801 391 D HA 0.143 4.783 4.640 0.001 0.000 0.232 391 D C -0.031 176.295 176.300 0.044 0.000 1.128 391 D CA 0.480 54.515 54.000 0.058 0.000 1.003 391 D CB -0.359 40.478 40.800 0.063 0.000 1.110 391 D HN 0.749 nan 8.370 nan 0.000 0.477 392 G N 3.277 112.101 108.800 0.040 0.000 2.402 392 G HA2 -0.292 3.668 3.960 0.001 0.000 0.241 392 G HA3 -0.292 3.668 3.960 0.001 0.000 0.241 392 G C 0.631 175.548 174.900 0.029 0.000 0.871 392 G CA 0.506 45.625 45.100 0.032 0.000 1.232 392 G HN 0.691 nan 8.290 nan 0.000 0.369 393 D N -0.367 120.049 120.400 0.027 0.000 2.304 393 D HA -0.219 4.421 4.640 0.001 0.000 0.162 393 D C 0.575 176.886 176.300 0.019 0.000 1.458 393 D CA 2.298 56.310 54.000 0.020 0.000 1.334 393 D CB -1.106 39.705 40.800 0.017 0.000 1.250 393 D HN 0.746 nan 8.370 nan 0.000 0.458 394 N N 0.491 119.207 118.700 0.026 0.000 2.438 394 N HA 0.409 5.150 4.740 0.001 0.000 0.282 394 N C -0.566 174.967 175.510 0.037 0.000 1.037 394 N CA -0.307 52.758 53.050 0.026 0.000 0.942 394 N CB 1.261 39.766 38.487 0.031 0.000 1.136 394 N HN 0.135 nan 8.380 nan 0.000 0.481 395 I N 0.870 121.454 120.570 0.024 0.000 2.353 395 I HA 0.104 4.274 4.170 0.001 0.000 0.293 395 I C 0.953 177.092 176.117 0.037 0.000 0.992 395 I CA 0.013 61.337 61.300 0.040 0.000 1.268 395 I CB 1.338 39.338 38.000 0.000 0.000 1.387 395 I HN 0.378 nan 8.210 nan 0.000 0.478 396 S N 4.807 120.572 115.700 0.110 0.000 2.693 396 S HA 0.431 4.902 4.470 0.001 0.000 0.276 396 S C 1.245 175.910 174.600 0.109 0.000 1.192 396 S CA -0.428 57.854 58.200 0.136 0.000 0.994 396 S CB 0.822 64.167 63.200 0.241 0.000 1.012 396 S HN 0.610 nan 8.310 nan 0.000 0.550 397 R N -0.137 120.383 120.500 0.033 0.000 2.240 397 R HA 0.093 4.434 4.340 0.001 0.000 0.203 397 R C -0.334 175.975 176.300 0.014 0.000 1.011 397 R CA 0.573 56.619 56.100 -0.089 0.000 1.007 397 R CB -0.110 30.000 30.300 -0.316 0.000 0.911 397 R HN 0.536 nan 8.270 nan 0.000 0.468 398 Y N 0.397 120.841 120.300 0.241 0.000 2.299 398 Y HA 0.367 4.918 4.550 0.001 0.000 0.326 398 Y C 0.606 176.657 175.900 0.252 0.000 1.164 398 Y CA -0.855 57.368 58.100 0.205 0.000 1.234 398 Y CB 0.900 39.430 38.460 0.116 0.000 1.219 398 Y HN -0.004 nan 8.280 nan 0.000 0.497 399 A N 1.842 124.826 122.820 0.274 0.000 2.281 399 A HA 0.962 5.283 4.320 0.001 0.000 0.329 399 A C -0.885 176.794 177.584 0.158 0.000 1.122 399 A CA -0.203 51.930 52.037 0.161 0.000 0.850 399 A CB 0.892 19.837 19.000 -0.091 0.000 1.207 399 A HN 0.922 nan 8.150 nan 0.000 0.495 400 A N -0.427 122.497 122.820 0.174 0.000 2.566 400 A HA 0.731 5.052 4.320 0.001 0.000 0.297 400 A C -0.135 177.548 177.584 0.164 0.000 1.059 400 A CA 0.013 52.132 52.037 0.135 0.000 0.691 400 A CB 0.622 19.693 19.000 0.117 0.000 1.282 400 A HN 2.414 nan 8.150 nan 0.000 0.401 401 A N 0.953 123.852 122.820 0.132 0.000 2.462 401 A HA 0.470 4.791 4.320 0.001 0.000 0.243 401 A C 1.587 179.241 177.584 0.116 0.000 1.076 401 A CA 0.631 52.755 52.037 0.145 0.000 0.773 401 A CB -0.296 18.768 19.000 0.106 0.000 1.010 401 A HN 2.027 nan 8.150 nan 0.000 0.493 402 T N 0.386 115.006 114.554 0.111 0.000 2.720 402 T HA -0.247 4.104 4.350 0.001 0.000 0.268 402 T C 1.353 176.094 174.700 0.067 0.000 1.037 402 T CA 1.730 63.877 62.100 0.078 0.000 1.144 402 T CB -0.635 68.272 68.868 0.065 0.000 0.864 402 T HN 0.855 nan 8.240 nan 0.000 0.444 403 N N 2.869 121.610 118.700 0.067 0.000 2.309 403 N HA -0.074 4.666 4.740 0.001 0.000 0.182 403 N C 0.903 176.443 175.510 0.050 0.000 1.018 403 N CA 0.905 53.988 53.050 0.055 0.000 0.876 403 N CB -1.028 37.490 38.487 0.053 0.000 0.972 403 N HN 0.695 nan 8.380 nan 0.000 0.434 404 S N -1.445 114.288 115.700 0.055 0.000 2.562 404 S HA 0.345 4.815 4.470 0.001 0.000 0.281 404 S C 1.431 176.058 174.600 0.045 0.000 1.333 404 S CA -0.307 57.922 58.200 0.048 0.000 1.052 404 S CB 0.958 64.189 63.200 0.052 0.000 0.884 404 S HN 0.384 nan 8.310 nan 0.000 0.506 405 G N 1.982 110.804 108.800 0.037 0.000 2.653 405 G HA2 0.038 3.998 3.960 0.001 0.000 0.212 405 G HA3 0.038 3.998 3.960 0.001 0.000 0.212 405 G C 0.456 175.378 174.900 0.037 0.000 1.138 405 G CA -0.064 45.057 45.100 0.034 0.000 0.782 405 G HN 0.787 nan 8.290 nan 0.000 0.535 406 I N 0.778 121.374 120.570 0.043 0.000 2.634 406 I HA 0.072 4.243 4.170 0.001 0.000 0.284 406 I C 0.711 176.861 176.117 0.056 0.000 1.124 406 I CA -0.173 61.156 61.300 0.048 0.000 1.417 406 I CB 1.328 39.361 38.000 0.055 0.000 1.396 406 I HN -0.088 nan 8.210 nan 0.000 0.571 407 S N 4.308 120.040 115.700 0.054 0.000 2.455 407 S HA 0.298 4.769 4.470 0.001 0.000 0.278 407 S C -0.001 174.643 174.600 0.072 0.000 1.216 407 S CA -0.573 57.661 58.200 0.056 0.000 1.055 407 S CB -0.205 63.024 63.200 0.049 0.000 0.939 407 S HN 0.750 nan 8.310 nan 0.000 0.494 408 T N 1.861 116.457 114.554 0.070 0.000 2.907 408 T HA 0.432 4.782 4.350 0.001 0.000 0.290 408 T C 0.471 175.205 174.700 0.057 0.000 1.066 408 T CA -1.022 61.128 62.100 0.083 0.000 1.012 408 T CB 0.982 69.901 68.868 0.085 0.000 1.184 408 T HN 0.502 nan 8.240 nan 0.000 0.522 409 N N -0.096 118.640 118.700 0.060 0.000 2.362 409 N HA 0.062 4.803 4.740 0.001 0.000 0.204 409 N C 0.244 175.729 175.510 -0.041 0.000 1.166 409 N CA -0.346 52.718 53.050 0.022 0.000 0.831 409 N CB -0.220 38.295 38.487 0.048 0.000 1.008 409 N HN 0.515 nan 8.380 nan 0.000 0.472 410 S N 0.506 116.174 115.700 -0.054 0.000 2.572 410 S HA 0.165 4.636 4.470 0.001 0.000 0.279 410 S C 0.956 175.529 174.600 -0.046 0.000 1.341 410 S CA -0.456 57.682 58.200 -0.103 0.000 1.043 410 S CB 0.702 63.857 63.200 -0.075 0.000 0.887 410 S HN 0.407 nan 8.310 nan 0.000 0.516 411 R N 2.886 123.351 120.500 -0.059 0.000 2.334 411 R HA 0.282 4.622 4.340 0.001 0.000 0.216 411 R C 1.516 177.979 176.300 0.271 0.000 0.905 411 R CA 0.397 56.521 56.100 0.040 0.000 1.064 411 R CB -0.345 29.814 30.300 -0.234 0.000 1.046 411 R HN 0.939 nan 8.270 nan 0.000 0.508 412 G N 1.473 110.378 108.800 0.175 0.000 2.552 412 G HA2 -0.316 3.645 3.960 0.001 0.000 0.265 412 G HA3 -0.316 3.645 3.960 0.001 0.000 0.265 412 G C -0.972 174.056 174.900 0.214 0.000 1.234 412 G CA 0.057 45.259 45.100 0.170 0.000 0.944 412 G HN 0.349 nan 8.290 nan 0.000 0.568 413 D N 0.402 120.844 120.400 0.069 0.000 2.414 413 D HA 0.674 5.314 4.640 0.001 0.000 0.232 413 D C -0.016 176.117 176.300 -0.279 0.000 1.070 413 D CA 0.664 54.614 54.000 -0.083 0.000 0.839 413 D CB 1.259 42.033 40.800 -0.043 0.000 1.079 413 D HN 0.622 nan 8.370 nan 0.000 0.521 414 S N 2.738 117.967 115.700 -0.785 0.000 2.757 414 S HA 0.493 4.963 4.470 0.001 0.000 0.285 414 S C -2.000 171.764 174.600 -1.394 0.000 1.196 414 S CA -0.597 57.058 58.200 -0.909 0.000 0.856 414 S CB 1.466 64.340 63.200 -0.543 0.000 1.212 414 S HN 0.473 nan 8.310 nan 0.000 0.516 415 D N 0.489 120.273 120.400 -1.027 0.000 2.661 415 D HA 0.789 5.430 4.640 0.001 0.000 0.228 415 D C -1.539 174.489 176.300 -0.453 0.000 1.183 415 D CA 0.035 53.557 54.000 -0.797 0.000 0.844 415 D CB 2.085 42.719 40.800 -0.276 0.000 1.555 415 D HN 0.387 nan 8.370 nan 0.000 0.453 416 E N 0.534 120.535 120.200 -0.333 0.000 2.389 416 E HA 0.487 4.837 4.350 0.001 0.000 0.281 416 E C -1.776 174.910 176.600 0.143 0.000 1.072 416 E CA -0.840 55.576 56.400 0.028 0.000 0.845 416 E CB 0.864 30.674 29.700 0.184 0.000 1.239 416 E HN 0.393 nan 8.360 nan 0.000 0.434 417 W N 2.609 124.039 121.300 0.217 0.000 3.022 417 W HA 0.803 5.464 4.660 0.001 0.000 0.335 417 W C -1.240 175.557 176.519 0.463 0.000 1.133 417 W CA -0.540 57.019 57.345 0.358 0.000 1.219 417 W CB 0.645 30.348 29.460 0.405 0.000 1.409 417 W HN 0.665 nan 8.180 nan 0.000 0.507 418 T N 0.040 114.925 114.554 0.551 0.000 2.864 418 T HA 0.902 5.252 4.350 0.001 0.000 0.289 418 T C -1.074 173.949 174.700 0.540 0.000 1.082 418 T CA -0.617 61.655 62.100 0.285 0.000 1.009 418 T CB 2.557 71.624 68.868 0.332 0.000 1.234 418 T HN 0.948 nan 8.240 nan 0.000 0.526 419 F N -2.518 117.570 119.950 0.230 0.000 2.744 419 F HA 0.855 5.382 4.527 0.001 0.000 0.311 419 F C -0.335 175.314 175.800 -0.251 0.000 1.144 419 F CA -0.347 57.633 58.000 -0.033 0.000 0.938 419 F CB 1.109 40.188 39.000 0.131 0.000 1.292 419 F HN 1.180 nan 8.300 nan 0.000 0.444 420 G N 0.004 108.382 108.800 -0.704 0.000 2.336 420 G HA2 0.697 4.657 3.960 0.001 0.000 0.286 420 G HA3 0.697 4.657 3.960 0.001 0.000 0.286 420 G C -2.315 172.378 174.900 -0.345 0.000 1.269 420 G CA -0.238 44.695 45.100 -0.279 0.000 0.873 420 G HN 1.621 nan 8.290 nan 0.000 0.494 421 A N -0.765 122.088 122.820 0.054 0.000 2.380 421 A HA 0.947 5.268 4.320 0.001 0.000 0.315 421 A C -0.412 177.343 177.584 0.286 0.000 1.101 421 A CA -0.278 51.878 52.037 0.199 0.000 0.771 421 A CB 2.136 21.243 19.000 0.179 0.000 1.287 421 A HN 1.022 nan 8.150 nan 0.000 0.436 422 Q N 0.186 120.171 119.800 0.310 0.000 2.527 422 Q HA 0.568 4.908 4.340 0.001 0.000 0.280 422 Q C -1.922 174.184 176.000 0.178 0.000 0.977 422 Q CA -0.661 55.287 55.803 0.242 0.000 0.837 422 Q CB 1.917 30.831 28.738 0.292 0.000 1.454 422 Q HN 1.027 nan 8.270 nan 0.000 0.387 423 M N 0.580 120.246 119.600 0.110 0.000 2.602 423 M HA 0.709 5.189 4.480 0.001 0.000 0.312 423 M C -1.256 175.063 176.300 0.032 0.000 1.181 423 M CA -0.316 55.024 55.300 0.067 0.000 0.910 423 M CB 2.074 34.692 32.600 0.029 0.000 1.723 423 M HN 0.506 nan 8.290 nan 0.000 0.459 424 E N 2.204 122.397 120.200 -0.012 0.000 2.321 424 E HA 0.783 5.133 4.350 0.001 0.000 0.278 424 E C -2.104 174.394 176.600 -0.169 0.000 0.902 424 E CA -0.799 55.554 56.400 -0.078 0.000 0.758 424 E CB 2.364 32.068 29.700 0.007 0.000 1.213 424 E HN 0.956 nan 8.360 nan 0.000 0.426 425 I N 3.631 124.067 120.570 -0.224 0.000 2.842 425 I HA 0.569 4.740 4.170 0.001 0.000 0.297 425 I C -2.126 174.047 176.117 0.094 0.000 1.380 425 I CA -0.708 60.507 61.300 -0.142 0.000 1.018 425 I CB 1.196 39.196 38.000 0.001 0.000 1.311 425 I HN 0.717 nan 8.210 nan 0.000 0.439 426 W N 5.775 127.237 121.300 0.270 0.000 2.883 426 W HA 0.786 5.447 4.660 0.001 0.000 0.335 426 W C -1.748 174.937 176.519 0.277 0.000 1.083 426 W CA -1.050 56.426 57.345 0.218 0.000 1.233 426 W CB -0.219 29.351 29.460 0.185 0.000 1.412 426 W HN 0.665 nan 8.180 nan 0.000 0.490 427 W N 0.000 121.449 121.300 0.248 0.000 2.388 427 W HA 0.000 4.660 4.660 0.001 0.000 0.303 427 W CA 0.000 57.448 57.345 0.171 0.000 1.226 427 W CB 0.000 29.467 29.460 0.012 0.000 1.126 427 W HN 0.000 nan 8.180 nan 0.000 0.535