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 2ch1_1_A DATA FIRST_RESID 2 DATA SEQUENCE KFTPPPASLR NPLIIPEKIM MGPGPSNCSK RVLTAMTNTV LSNFHAELFR DATA SEQUENCE TMDEVKDGLR YIFQTENRAT MCVSGSAHAG MEAMLSNLLE EGDRVLIAVN DATA SEQUENCE GIWAERAVEM SERYGADVRT IEGPPDRPFS LETLARAIEL HQPKCLFLTH DATA SEQUENCE GDSSSGLLQP LEGVGQICHQ HDCLLIVDAV ASLCGVPFYM DKWEIDAVYT DATA SEQUENCE GAQXVLGAPP GITPISISPK ALDVIRNRRT KSKVFYWDLL LLGNYWGCYD DATA SEQUENCE EPKRYHHTVA SNLIFALREA LAQIAEEGLE NQIKRRIECA QILYEGLGKM DATA SEQUENCE GLDIFVKDPR HRLPTVTGIM IPKGVDWWKV SQYAMNNFSL EVQGGLGPTF DATA SEQUENCE GKAWRVGIMG ECSTVQKIQF YLYGFKESLK ATHPDYIF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.301 176.600 -0.499 0.000 0.988 2 K CA 0.000 56.100 56.287 -0.312 0.000 0.838 2 K CB 0.000 32.434 32.500 -0.111 0.000 1.064 3 F N 0.836 120.786 119.950 0.001 0.000 2.508 3 F HA 0.434 4.961 4.527 0.000 0.000 0.325 3 F C 0.611 176.412 175.800 0.002 0.000 1.090 3 F CA -0.806 57.195 58.000 0.002 0.000 0.945 3 F CB 2.416 41.417 39.000 0.002 0.000 1.156 3 F HN 0.638 nan 8.300 nan 0.000 0.463 4 T N 4.442 119.097 114.554 0.167 0.000 2.905 4 T HA 0.143 4.493 4.350 0.001 0.000 0.299 4 T C -1.887 172.877 174.700 0.107 0.000 1.024 4 T CA -1.184 60.977 62.100 0.103 0.000 1.151 4 T CB -0.038 68.873 68.868 0.071 0.000 0.987 4 T HN 0.368 nan 8.240 nan 0.000 0.535 5 P HA 0.247 nan 4.420 nan 0.000 0.268 5 P C -2.324 175.000 177.300 0.040 0.000 1.208 5 P CA -1.163 61.972 63.100 0.058 0.000 0.777 5 P CB -0.588 31.137 31.700 0.041 0.000 0.875 6 P HA 0.209 nan 4.420 nan 0.000 0.272 6 P C -2.247 175.061 177.300 0.012 0.000 1.223 6 P CA -0.993 62.113 63.100 0.010 0.000 0.784 6 P CB -0.856 30.844 31.700 0.000 0.000 0.923 7 P HA 0.174 nan 4.420 nan 0.000 0.275 7 P C 0.302 177.608 177.300 0.009 0.000 1.227 7 P CA -0.358 62.748 63.100 0.010 0.000 0.781 7 P CB 0.934 32.639 31.700 0.009 0.000 0.906 8 A N 2.694 125.520 122.820 0.010 0.000 2.014 8 A HA -0.109 4.211 4.320 0.001 0.000 0.218 8 A C 2.132 179.722 177.584 0.010 0.000 1.163 8 A CA 1.462 53.505 52.037 0.010 0.000 0.652 8 A CB -1.317 17.689 19.000 0.010 0.000 0.808 8 A HN 0.657 nan 8.150 nan 0.000 0.449 9 S N 0.163 115.869 115.700 0.011 0.000 2.440 9 S HA -0.115 4.356 4.470 0.001 0.000 0.240 9 S C 1.470 176.077 174.600 0.011 0.000 1.014 9 S CA 1.502 59.709 58.200 0.012 0.000 0.980 9 S CB -0.619 62.589 63.200 0.013 0.000 0.775 9 S HN 0.472 nan 8.310 nan 0.000 0.499 10 L N -0.135 121.094 121.223 0.009 0.000 2.591 10 L HA 0.286 4.626 4.340 0.001 0.000 0.228 10 L C 2.740 179.614 176.870 0.007 0.000 1.133 10 L CA 0.068 54.912 54.840 0.008 0.000 0.880 10 L CB -0.173 41.889 42.059 0.004 0.000 1.033 10 L HN 0.234 nan 8.230 nan 0.000 0.450 11 R N -0.185 120.320 120.500 0.007 0.000 2.127 11 R HA 0.030 4.371 4.340 0.001 0.000 0.217 11 R C 0.347 176.651 176.300 0.008 0.000 1.074 11 R CA 0.231 56.335 56.100 0.007 0.000 0.991 11 R CB 0.194 30.498 30.300 0.007 0.000 0.895 11 R HN 0.348 nan 8.270 nan 0.000 0.450 12 N N 1.892 120.597 118.700 0.009 0.000 2.518 12 N HA 0.117 4.858 4.740 0.001 0.000 0.266 12 N C -2.330 173.187 175.510 0.011 0.000 1.196 12 N CA -0.913 52.143 53.050 0.010 0.000 0.947 12 N CB 0.250 38.744 38.487 0.011 0.000 1.098 12 N HN -0.058 nan 8.380 nan 0.000 0.450 13 P HA 0.048 nan 4.420 nan 0.000 0.269 13 P C -0.138 177.171 177.300 0.014 0.000 1.215 13 P CA -0.494 62.613 63.100 0.012 0.000 0.780 13 P CB 0.485 32.191 31.700 0.011 0.000 0.898 14 L N 3.577 124.809 121.223 0.016 0.000 2.360 14 L HA 0.313 4.653 4.340 0.001 0.000 0.276 14 L C -0.671 176.211 176.870 0.020 0.000 1.121 14 L CA 0.470 55.321 54.840 0.019 0.000 0.845 14 L CB -0.426 41.646 42.059 0.021 0.000 1.143 14 L HN 0.224 nan 8.230 nan 0.000 0.452 15 I N 6.840 127.423 120.570 0.021 0.000 2.468 15 I HA 0.331 4.502 4.170 0.001 0.000 0.284 15 I C -1.021 175.111 176.117 0.025 0.000 1.038 15 I CA -0.386 60.927 61.300 0.021 0.000 1.083 15 I CB 1.479 39.490 38.000 0.017 0.000 1.223 15 I HN 0.365 nan 8.210 nan 0.000 0.443 16 I N 7.585 128.172 120.570 0.028 0.000 2.382 16 I HA 0.406 4.577 4.170 0.001 0.000 0.286 16 I C -1.766 174.370 176.117 0.032 0.000 1.002 16 I CA -2.051 59.269 61.300 0.033 0.000 1.135 16 I CB 0.962 38.985 38.000 0.038 0.000 1.288 16 I HN 0.365 nan 8.210 nan 0.000 0.448 17 P HA 0.287 nan 4.420 nan 0.000 0.274 17 P C -0.356 176.967 177.300 0.037 0.000 1.237 17 P CA -0.425 62.693 63.100 0.031 0.000 0.793 17 P CB 1.072 32.789 31.700 0.030 0.000 0.977 18 E N 1.213 121.433 120.200 0.033 0.000 2.338 18 E HA 0.208 4.558 4.350 0.001 0.000 0.272 18 E C -0.151 176.480 176.600 0.052 0.000 1.029 18 E CA -0.048 56.376 56.400 0.039 0.000 0.872 18 E CB 0.709 30.426 29.700 0.029 0.000 1.015 18 E HN 0.318 nan 8.360 nan 0.000 0.417 19 K N 2.152 122.592 120.400 0.066 0.000 2.477 19 K HA 0.449 4.769 4.320 0.001 0.000 0.255 19 K C -0.736 175.927 176.600 0.105 0.000 0.952 19 K CA -0.809 55.532 56.287 0.090 0.000 0.826 19 K CB 1.797 34.354 32.500 0.095 0.000 1.331 19 K HN 0.355 nan 8.250 nan 0.000 0.437 20 I N 3.091 123.748 120.570 0.145 0.000 2.282 20 I HA 0.142 4.313 4.170 0.001 0.000 0.290 20 I C -0.099 176.128 176.117 0.184 0.000 1.090 20 I CA -0.244 61.157 61.300 0.168 0.000 1.231 20 I CB 0.453 38.597 38.000 0.241 0.000 1.434 20 I HN 0.340 nan 8.210 nan 0.000 0.487 21 M N 7.754 127.440 119.600 0.143 0.000 2.974 21 M HA 0.247 4.727 4.480 0.001 0.000 0.301 21 M C 0.148 176.529 176.300 0.134 0.000 1.409 21 M CA 0.592 55.974 55.300 0.136 0.000 1.515 21 M CB -0.149 32.514 32.600 0.105 0.000 1.163 21 M HN 0.609 nan 8.290 nan 0.000 0.520 22 M N 0.640 120.349 119.600 0.182 0.000 2.778 22 M HA 0.260 4.741 4.480 0.001 0.000 0.359 22 M C 0.925 177.296 176.300 0.118 0.000 1.216 22 M CA -0.282 55.103 55.300 0.141 0.000 0.935 22 M CB 0.553 33.278 32.600 0.209 0.000 1.330 22 M HN 0.547 nan 8.290 nan 0.000 0.516 23 G N 1.176 110.060 108.800 0.140 0.000 2.532 23 G HA2 0.384 4.345 3.960 0.001 0.000 0.291 23 G HA3 0.384 4.345 3.960 0.001 0.000 0.291 23 G C -2.298 172.650 174.900 0.081 0.000 1.349 23 G CA -0.844 44.335 45.100 0.131 0.000 1.038 23 G HN 0.104 nan 8.290 nan 0.000 0.518 24 P HA 0.259 nan 4.420 nan 0.000 0.249 24 P C 0.264 177.610 177.300 0.077 0.000 1.544 24 P CA 0.519 63.662 63.100 0.072 0.000 0.932 24 P CB 0.213 31.970 31.700 0.094 0.000 1.524 25 G N 1.109 109.958 108.800 0.082 0.000 2.653 25 G HA2 0.084 4.045 3.960 0.001 0.000 0.656 25 G HA3 0.084 4.045 3.960 0.001 0.000 0.656 25 G C -3.357 171.604 174.900 0.103 0.000 1.419 25 G CA -0.976 44.170 45.100 0.077 0.000 0.862 25 G HN -0.067 nan 8.290 nan 0.000 0.639 26 P HA 0.520 nan 4.420 nan 0.000 0.277 26 P C 0.487 177.827 177.300 0.067 0.000 1.240 26 P CA -0.216 62.927 63.100 0.071 0.000 0.798 26 P CB 1.291 33.035 31.700 0.073 0.000 0.979 27 S N 0.960 116.689 115.700 0.049 0.000 2.669 27 S HA 0.251 4.721 4.470 0.001 0.000 0.270 27 S C 0.348 174.977 174.600 0.049 0.000 1.225 27 S CA -0.915 57.313 58.200 0.046 0.000 0.991 27 S CB 0.134 63.350 63.200 0.026 0.000 0.987 27 S HN 0.356 nan 8.310 nan 0.000 0.552 28 N N 0.765 119.495 118.700 0.050 0.000 2.440 28 N HA 0.124 4.865 4.740 0.001 0.000 0.265 28 N C -0.345 175.185 175.510 0.035 0.000 1.239 28 N CA 0.086 53.163 53.050 0.046 0.000 0.909 28 N CB 0.009 38.524 38.487 0.046 0.000 1.066 28 N HN 0.541 nan 8.380 nan 0.000 0.474 29 C N 1.587 120.908 119.300 0.036 0.000 2.534 29 C HA 0.226 4.687 4.460 0.001 0.000 0.385 29 C C 1.506 176.513 174.990 0.028 0.000 1.264 29 C CA -0.931 58.105 59.018 0.031 0.000 2.342 29 C CB 0.172 27.934 27.740 0.037 0.000 2.564 29 C HN 0.720 nan 8.230 nan 0.000 0.603 30 S N 2.452 118.166 115.700 0.023 0.000 2.593 30 S HA 0.113 4.583 4.470 0.001 0.000 0.269 30 S C 1.167 175.780 174.600 0.022 0.000 1.334 30 S CA -0.290 57.921 58.200 0.019 0.000 1.015 30 S CB 0.553 63.762 63.200 0.015 0.000 0.912 30 S HN 0.845 nan 8.310 nan 0.000 0.541 31 K N 1.333 121.743 120.400 0.017 0.000 2.059 31 K HA -0.255 4.065 4.320 0.001 0.000 0.212 31 K C 2.350 178.961 176.600 0.018 0.000 1.050 31 K CA 1.870 58.166 56.287 0.016 0.000 0.927 31 K CB -0.404 32.102 32.500 0.010 0.000 0.714 31 K HN 0.809 nan 8.250 nan 0.000 0.447 32 R N 0.385 120.894 120.500 0.015 0.000 2.096 32 R HA -0.148 4.193 4.340 0.001 0.000 0.240 32 R C 2.230 178.547 176.300 0.028 0.000 1.139 32 R CA 1.903 58.012 56.100 0.016 0.000 0.952 32 R CB -0.316 29.991 30.300 0.012 0.000 0.854 32 R HN 0.100 nan 8.270 nan 0.000 0.436 33 V N 1.389 121.323 119.914 0.033 0.000 2.307 33 V HA -0.241 3.879 4.120 0.001 0.000 0.245 33 V C 2.458 178.586 176.094 0.057 0.000 1.045 33 V CA 1.765 64.093 62.300 0.047 0.000 1.024 33 V CB -0.404 31.443 31.823 0.041 0.000 0.651 33 V HN 0.341 nan 8.190 nan 0.000 0.449 34 L N 0.563 121.815 121.223 0.047 0.000 2.012 34 L HA -0.210 4.130 4.340 0.001 0.000 0.210 34 L C 2.741 179.643 176.870 0.053 0.000 1.073 34 L CA 2.299 57.169 54.840 0.050 0.000 0.748 34 L CB -1.114 40.969 42.059 0.040 0.000 0.891 34 L HN 0.592 nan 8.230 nan 0.000 0.431 35 T N -3.165 111.414 114.554 0.041 0.000 3.035 35 T HA 0.023 4.374 4.350 0.001 0.000 0.268 35 T C 1.864 176.588 174.700 0.041 0.000 1.109 35 T CA 0.646 62.767 62.100 0.034 0.000 1.119 35 T CB -0.198 68.680 68.868 0.017 0.000 0.900 35 T HN 0.300 nan 8.240 nan 0.000 0.503 36 A N 1.880 124.734 122.820 0.057 0.000 1.978 36 A HA 0.093 4.413 4.320 0.001 0.000 0.220 36 A C 2.393 180.083 177.584 0.177 0.000 1.170 36 A CA 1.433 53.518 52.037 0.080 0.000 0.636 36 A CB -0.856 18.213 19.000 0.116 0.000 0.810 36 A HN 0.558 nan 8.150 nan 0.000 0.448 37 M N -1.171 118.531 119.600 0.171 0.000 2.446 37 M HA -0.097 4.384 4.480 0.001 0.000 0.263 37 M C 1.800 178.212 176.300 0.187 0.000 1.066 37 M CA 1.323 56.746 55.300 0.204 0.000 1.087 37 M CB -0.363 32.312 32.600 0.125 0.000 1.406 37 M HN 0.343 nan 8.290 nan 0.000 0.459 38 T N 0.704 115.329 114.554 0.118 0.000 3.118 38 T HA 0.022 4.373 4.350 0.001 0.000 0.260 38 T C 0.741 175.478 174.700 0.062 0.000 1.139 38 T CA 0.215 62.360 62.100 0.075 0.000 1.085 38 T CB -0.215 68.677 68.868 0.040 0.000 0.934 38 T HN 0.367 nan 8.240 nan 0.000 0.518 39 N N 1.784 120.519 118.700 0.058 0.000 2.399 39 N HA 0.066 4.806 4.740 0.001 0.000 0.250 39 N C 0.015 175.589 175.510 0.107 0.000 1.272 39 N CA 0.308 53.326 53.050 -0.054 0.000 0.928 39 N CB 0.497 38.686 38.487 -0.496 0.000 1.158 39 N HN 0.134 nan 8.380 nan 0.000 0.463 40 T N 0.733 115.315 114.554 0.047 0.000 2.866 40 T HA 0.019 4.369 4.350 0.001 0.000 0.293 40 T C 0.552 175.405 174.700 0.255 0.000 1.005 40 T CA -0.251 61.919 62.100 0.116 0.000 1.162 40 T CB 0.122 69.029 68.868 0.064 0.000 0.968 40 T HN 0.115 nan 8.240 nan 0.000 0.530 41 V N 6.026 126.055 119.914 0.192 0.000 2.450 41 V HA 0.084 4.204 4.120 0.001 0.000 0.281 41 V C 0.674 176.854 176.094 0.144 0.000 1.019 41 V CA 0.040 62.433 62.300 0.155 0.000 1.062 41 V CB -0.548 31.322 31.823 0.080 0.000 0.979 41 V HN 0.641 nan 8.190 nan 0.000 0.477 42 L N 3.849 125.166 121.223 0.156 0.000 2.399 42 L HA 0.438 4.779 4.340 0.001 0.000 0.265 42 L C 0.786 177.633 176.870 -0.038 0.000 1.089 42 L CA -0.003 54.941 54.840 0.173 0.000 0.802 42 L CB 1.541 43.740 42.059 0.233 0.000 1.180 42 L HN 0.637 nan 8.230 nan 0.000 0.454 43 S N 0.272 115.800 115.700 -0.287 0.000 2.603 43 S HA 0.109 4.580 4.470 0.001 0.000 0.268 43 S C 1.140 175.500 174.600 -0.401 0.000 1.317 43 S CA -0.599 57.309 58.200 -0.486 0.000 1.012 43 S CB 0.602 63.290 63.200 -0.853 0.000 0.926 43 S HN 0.619 nan 8.310 nan 0.000 0.539 44 N N 1.385 119.945 118.700 -0.233 0.000 2.272 44 N HA -0.074 4.667 4.740 0.001 0.000 0.185 44 N C 0.467 175.695 175.510 -0.471 0.000 1.014 44 N CA 1.333 54.262 53.050 -0.201 0.000 0.870 44 N CB -0.250 38.212 38.487 -0.042 0.000 0.975 44 N HN 0.594 nan 8.380 nan 0.000 0.433 45 F N -0.021 119.760 119.950 -0.280 0.000 2.639 45 F HA 0.186 4.714 4.527 0.002 0.000 0.302 45 F C 0.367 175.979 175.800 -0.313 0.000 1.097 45 F CA -0.558 57.270 58.000 -0.286 0.000 1.294 45 F CB -0.082 38.976 39.000 0.096 0.000 1.027 45 F HN -0.131 nan 8.300 nan 0.000 0.550 46 H N 0.280 119.175 119.070 -0.292 0.000 2.964 46 H HA 0.195 4.752 4.556 0.001 0.000 0.328 46 H C 1.419 176.563 175.328 -0.308 0.000 1.030 46 H CA -0.011 55.915 56.048 -0.203 0.000 1.445 46 H CB 0.941 30.624 29.762 -0.131 0.000 1.449 46 H HN 0.249 nan 8.280 nan 0.000 0.581 47 A N 4.090 126.935 122.820 0.041 0.000 1.948 47 A HA -0.246 4.074 4.320 0.001 0.000 0.220 47 A C 2.013 179.626 177.584 0.047 0.000 1.177 47 A CA 1.963 54.052 52.037 0.086 0.000 0.636 47 A CB -0.186 18.867 19.000 0.087 0.000 0.815 47 A HN 0.741 nan 8.150 nan 0.000 0.449 48 E N -0.746 119.461 120.200 0.011 0.000 2.216 48 E HA -0.032 4.319 4.350 0.001 0.000 0.192 48 E C 1.773 178.403 176.600 0.050 0.000 0.988 48 E CA 0.680 57.095 56.400 0.026 0.000 0.834 48 E CB -0.258 29.445 29.700 0.004 0.000 0.772 48 E HN 0.509 nan 8.360 nan 0.000 0.479 49 L N 0.029 121.243 121.223 -0.016 0.000 1.988 49 L HA -0.070 4.270 4.340 0.001 0.000 0.207 49 L C 1.851 178.658 176.870 -0.105 0.000 1.071 49 L CA 1.721 56.509 54.840 -0.087 0.000 0.744 49 L CB -0.650 41.262 42.059 -0.245 0.000 0.893 49 L HN 0.142 nan 8.230 nan 0.000 0.433 50 F N -0.237 119.625 119.950 -0.147 0.000 2.120 50 F HA -0.290 4.237 4.527 0.000 0.000 0.300 50 F C 2.794 178.514 175.800 -0.133 0.000 1.095 50 F CA 1.255 59.122 58.000 -0.223 0.000 1.249 50 F CB -0.366 38.518 39.000 -0.193 0.000 0.995 50 F HN 0.150 nan 8.300 nan 0.000 0.480 51 R N 0.460 121.038 120.500 0.131 0.000 2.081 51 R HA -0.152 4.188 4.340 0.001 0.000 0.235 51 R C 1.981 178.321 176.300 0.066 0.000 1.131 51 R CA 2.066 58.213 56.100 0.078 0.000 0.960 51 R CB -0.567 29.770 30.300 0.062 0.000 0.856 51 R HN 0.159 nan 8.270 nan 0.000 0.436 52 T N 1.107 115.707 114.554 0.078 0.000 2.777 52 T HA -0.105 4.245 4.350 0.001 0.000 0.266 52 T C 1.872 176.623 174.700 0.084 0.000 1.040 52 T CA 1.593 63.756 62.100 0.105 0.000 1.141 52 T CB -0.103 68.883 68.868 0.195 0.000 0.868 52 T HN 0.240 nan 8.240 nan 0.000 0.444 53 M N 1.182 120.786 119.600 0.007 0.000 2.108 53 M HA -0.140 4.341 4.480 0.001 0.000 0.261 53 M C 2.015 178.386 176.300 0.118 0.000 1.066 53 M CA 1.487 56.761 55.300 -0.043 0.000 1.107 53 M CB -0.455 31.886 32.600 -0.431 0.000 1.356 53 M HN 0.093 nan 8.290 nan 0.000 0.406 54 D N 0.303 120.740 120.400 0.062 0.000 2.117 54 D HA -0.140 4.501 4.640 0.001 0.000 0.197 54 D C 1.873 178.225 176.300 0.086 0.000 0.987 54 D CA 1.278 55.321 54.000 0.071 0.000 0.829 54 D CB -0.342 40.475 40.800 0.029 0.000 0.961 54 D HN 0.464 nan 8.370 nan 0.000 0.460 55 E N 0.316 120.563 120.200 0.078 0.000 2.085 55 E HA -0.125 4.225 4.350 0.001 0.000 0.194 55 E C 2.286 178.940 176.600 0.090 0.000 0.994 55 E CA 0.591 57.032 56.400 0.069 0.000 0.801 55 E CB 0.042 29.779 29.700 0.061 0.000 0.743 55 E HN 0.075 nan 8.360 nan 0.000 0.453 56 V N 1.747 121.743 119.914 0.135 0.000 2.255 56 V HA -0.303 3.818 4.120 0.001 0.000 0.247 56 V C 2.181 178.355 176.094 0.134 0.000 1.051 56 V CA 1.876 64.270 62.300 0.157 0.000 1.018 56 V CB -0.426 31.551 31.823 0.257 0.000 0.641 56 V HN 0.221 nan 8.190 nan 0.000 0.445 57 K N -0.263 120.244 120.400 0.178 0.000 2.044 57 K HA -0.248 4.073 4.320 0.001 0.000 0.210 57 K C 1.906 178.560 176.600 0.089 0.000 1.049 57 K CA 1.959 58.322 56.287 0.125 0.000 0.927 57 K CB -0.455 32.131 32.500 0.144 0.000 0.713 57 K HN 0.486 nan 8.250 nan 0.000 0.443 58 D N -0.043 120.405 120.400 0.080 0.000 2.097 58 D HA -0.116 4.524 4.640 0.001 0.000 0.195 58 D C 2.000 178.347 176.300 0.079 0.000 0.989 58 D CA 1.441 55.481 54.000 0.066 0.000 0.827 58 D CB -0.572 40.253 40.800 0.041 0.000 0.966 58 D HN 0.380 nan 8.370 nan 0.000 0.456 59 G N 0.525 109.364 108.800 0.066 0.000 2.422 59 G HA2 -0.194 3.766 3.960 0.001 0.000 0.218 59 G HA3 -0.194 3.766 3.960 0.001 0.000 0.218 59 G C 1.573 176.496 174.900 0.038 0.000 1.146 59 G CA 0.276 45.420 45.100 0.074 0.000 0.769 59 G HN 0.136 nan 8.290 nan 0.000 0.547 60 L N 0.522 121.736 121.223 -0.016 0.000 2.017 60 L HA 0.048 4.388 4.340 0.001 0.000 0.208 60 L C 2.956 179.817 176.870 -0.015 0.000 1.073 60 L CA 1.410 56.172 54.840 -0.129 0.000 0.745 60 L CB -0.983 41.056 42.059 -0.033 0.000 0.894 60 L HN 0.171 nan 8.230 nan 0.000 0.432 61 R N -2.136 118.432 120.500 0.112 0.000 2.105 61 R HA -0.247 4.093 4.340 0.001 0.000 0.239 61 R C 2.234 178.620 176.300 0.142 0.000 1.135 61 R CA 1.604 57.798 56.100 0.157 0.000 0.967 61 R CB -0.614 29.763 30.300 0.128 0.000 0.861 61 R HN 0.306 nan 8.270 nan 0.000 0.442 62 Y N 2.009 122.306 120.300 -0.006 0.000 2.114 62 Y HA -0.209 4.341 4.550 0.001 0.000 0.284 62 Y C 2.036 177.901 175.900 -0.057 0.000 1.143 62 Y CA 1.795 59.880 58.100 -0.024 0.000 1.135 62 Y CB -0.315 38.124 38.460 -0.034 0.000 0.980 62 Y HN 0.055 nan 8.280 nan 0.000 0.499 63 I N -3.153 117.243 120.570 -0.289 0.000 2.439 63 I HA -0.160 4.010 4.170 0.001 0.000 0.251 63 I C 1.870 177.789 176.117 -0.330 0.000 1.139 63 I CA 1.388 62.417 61.300 -0.451 0.000 1.438 63 I CB -0.950 36.796 38.000 -0.424 0.000 1.085 63 I HN 0.098 nan 8.210 nan 0.000 0.427 64 F N 1.189 121.058 119.950 -0.135 0.000 2.407 64 F HA 0.035 4.563 4.527 0.001 0.000 0.299 64 F C 0.783 176.601 175.800 0.029 0.000 1.097 64 F CA 0.028 58.002 58.000 -0.043 0.000 1.422 64 F CB 0.078 39.066 39.000 -0.020 0.000 1.067 64 F HN 0.138 nan 8.300 nan 0.000 0.539 65 Q N 1.303 121.157 119.800 0.090 0.000 2.457 65 Q HA -0.210 4.130 4.340 0.001 0.000 0.333 65 Q C -0.114 175.932 176.000 0.075 0.000 1.448 65 Q CA 1.110 56.935 55.803 0.036 0.000 0.891 65 Q CB -1.908 26.805 28.738 -0.042 0.000 1.142 65 Q HN 0.390 nan 8.270 nan 0.000 0.375 66 T N -1.957 112.662 114.554 0.109 0.000 2.841 66 T HA 0.495 4.845 4.350 0.001 0.000 0.296 66 T C 0.070 174.816 174.700 0.078 0.000 1.166 66 T CA -0.384 61.766 62.100 0.084 0.000 1.007 66 T CB 1.514 70.438 68.868 0.092 0.000 1.253 66 T HN 0.250 nan 8.240 nan 0.000 0.511 67 E N 0.737 120.968 120.200 0.053 0.000 2.660 67 E HA 0.227 4.578 4.350 0.001 0.000 0.216 67 E C -0.227 176.398 176.600 0.041 0.000 0.986 67 E CA -0.229 56.200 56.400 0.048 0.000 1.037 67 E CB 0.326 30.046 29.700 0.034 0.000 1.041 67 E HN 0.580 nan 8.360 nan 0.000 0.480 68 N N 1.388 120.112 118.700 0.040 0.000 2.359 68 N HA -0.023 4.717 4.740 0.001 0.000 0.261 68 N C 0.921 176.450 175.510 0.031 0.000 1.267 68 N CA 0.074 53.141 53.050 0.029 0.000 0.864 68 N CB 0.703 39.197 38.487 0.012 0.000 1.063 68 N HN 0.083 nan 8.380 nan 0.000 0.474 69 R N 2.066 122.585 120.500 0.031 0.000 2.093 69 R HA 0.002 4.343 4.340 0.001 0.000 0.224 69 R C 0.712 177.005 176.300 -0.011 0.000 1.101 69 R CA 0.631 56.743 56.100 0.021 0.000 0.979 69 R CB 0.091 30.416 30.300 0.040 0.000 0.877 69 R HN 0.517 nan 8.270 nan 0.000 0.441 70 A N 1.851 124.680 122.820 0.014 0.000 3.051 70 A HA 0.118 4.438 4.320 0.001 0.000 0.257 70 A C -0.516 177.039 177.584 -0.049 0.000 1.785 70 A CA 0.280 52.306 52.037 -0.017 0.000 1.420 70 A CB -0.278 18.784 19.000 0.103 0.000 1.063 70 A HN 0.012 nan 8.150 nan 0.000 0.630 71 T N 2.838 117.359 114.554 -0.055 0.000 2.792 71 T HA 0.693 5.043 4.350 0.001 0.000 0.280 71 T C -0.105 174.514 174.700 -0.135 0.000 0.990 71 T CA -0.244 61.831 62.100 -0.041 0.000 0.960 71 T CB 1.042 69.943 68.868 0.054 0.000 0.939 71 T HN 0.797 nan 8.240 nan 0.000 0.439 72 M N 0.725 120.155 119.600 -0.283 0.000 3.644 72 M HA 0.695 5.176 4.480 0.001 0.000 0.311 72 M C -1.957 173.813 176.300 -0.883 0.000 1.411 72 M CA -0.885 53.948 55.300 -0.777 0.000 0.878 72 M CB 1.090 33.215 32.600 -0.792 0.000 1.848 72 M HN 0.498 nan 8.290 nan 0.000 0.502 73 C N 1.305 119.736 119.300 -1.447 0.000 2.507 73 C HA 0.811 5.271 4.460 0.001 0.000 0.319 73 C C -0.058 174.725 174.990 -0.344 0.000 1.208 73 C CA -0.570 58.063 59.018 -0.643 0.000 1.619 73 C CB 1.779 29.299 27.740 -0.367 0.000 2.230 73 C HN 0.545 nan 8.230 nan 0.000 0.492 74 V N 2.939 122.766 119.914 -0.145 0.000 2.607 74 V HA 0.218 4.338 4.120 0.001 0.000 0.289 74 V C 0.566 176.711 176.094 0.085 0.000 1.053 74 V CA 0.170 62.455 62.300 -0.026 0.000 0.996 74 V CB 1.766 33.542 31.823 -0.078 0.000 0.995 74 V HN 0.979 nan 8.190 nan 0.000 0.476 75 S N 3.759 119.542 115.700 0.138 0.000 4.087 75 S HA 0.593 5.064 4.470 0.001 0.000 0.213 75 S C 0.445 175.239 174.600 0.322 0.000 1.415 75 S CA 0.108 58.454 58.200 0.243 0.000 0.893 75 S CB -0.117 63.287 63.200 0.341 0.000 1.529 75 S HN 1.151 nan 8.310 nan 0.000 0.457 76 G N 0.852 109.792 108.800 0.234 0.000 2.451 76 G HA2 0.482 4.443 3.960 0.001 0.000 0.292 76 G HA3 0.482 4.443 3.960 0.001 0.000 0.292 76 G C -0.586 174.392 174.900 0.131 0.000 1.427 76 G CA -0.615 44.620 45.100 0.226 0.000 0.792 76 G HN 0.439 nan 8.290 nan 0.000 0.498 77 S N -0.482 115.290 115.700 0.120 0.000 2.641 77 S HA 0.574 5.044 4.470 0.001 0.000 0.261 77 S C 2.058 176.697 174.600 0.065 0.000 1.257 77 S CA 0.855 59.114 58.200 0.099 0.000 0.983 77 S CB 1.182 64.454 63.200 0.119 0.000 0.990 77 S HN 2.090 nan 8.310 nan 0.000 0.572 78 A N 0.326 123.180 122.820 0.057 0.000 1.948 78 A HA -0.162 4.158 4.320 0.001 0.000 0.220 78 A C 1.934 179.453 177.584 -0.110 0.000 1.177 78 A CA 2.297 54.335 52.037 0.002 0.000 0.636 78 A CB -1.812 17.192 19.000 0.006 0.000 0.815 78 A HN 0.999 nan 8.150 nan 0.000 0.449 79 H N -0.391 118.631 119.070 -0.080 0.000 2.353 79 H HA -0.077 4.480 4.556 0.001 0.000 0.298 79 H C 2.418 177.583 175.328 -0.273 0.000 1.103 79 H CA 1.923 57.909 56.048 -0.103 0.000 1.293 79 H CB -0.212 29.550 29.762 -0.000 0.000 1.372 79 H HN 0.544 nan 8.280 nan 0.000 0.501 80 A N 0.155 122.882 122.820 -0.155 0.000 1.972 80 A HA -0.111 4.209 4.320 0.001 0.000 0.219 80 A C 2.703 179.849 177.584 -0.730 0.000 1.169 80 A CA 1.520 53.261 52.037 -0.493 0.000 0.635 80 A CB -1.118 17.796 19.000 -0.144 0.000 0.810 80 A HN 0.527 nan 8.150 nan 0.000 0.446 81 G N -0.725 107.732 108.800 -0.571 0.000 2.418 81 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 81 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 81 G C 1.639 175.909 174.900 -1.049 0.000 1.158 81 G CA 1.151 45.803 45.100 -0.746 0.000 0.771 81 G HN 0.497 nan 8.290 nan 0.000 0.545 82 M N 0.182 119.115 119.600 -1.112 0.000 2.086 82 M HA -0.040 4.441 4.480 0.001 0.000 0.261 82 M C 2.504 178.562 176.300 -0.404 0.000 1.067 82 M CA 1.478 56.382 55.300 -0.660 0.000 1.116 82 M CB -0.152 32.251 32.600 -0.329 0.000 1.348 82 M HN 0.141 nan 8.290 nan 0.000 0.407 83 E N 0.567 120.490 120.200 -0.461 0.000 2.070 83 E HA -0.222 4.128 4.350 0.001 0.000 0.197 83 E C 2.005 178.249 176.600 -0.593 0.000 1.004 83 E CA 1.652 57.820 56.400 -0.386 0.000 0.805 83 E CB -0.485 28.816 29.700 -0.665 0.000 0.744 83 E HN 0.672 nan 8.360 nan 0.000 0.451 84 A N 1.479 123.707 122.820 -0.987 0.000 1.858 84 A HA -0.196 4.125 4.320 0.001 0.000 0.216 84 A C 2.208 179.615 177.584 -0.297 0.000 1.190 84 A CA 1.740 53.357 52.037 -0.699 0.000 0.617 84 A CB -0.387 18.278 19.000 -0.558 0.000 0.827 84 A HN 0.107 nan 8.150 nan 0.000 0.443 85 M N -0.222 119.221 119.600 -0.263 0.000 2.080 85 M HA -0.111 4.369 4.480 0.001 0.000 0.260 85 M C 2.157 178.404 176.300 -0.088 0.000 1.068 85 M CA 1.389 56.622 55.300 -0.112 0.000 1.109 85 M CB -1.638 30.953 32.600 -0.015 0.000 1.342 85 M HN 0.400 nan 8.290 nan 0.000 0.405 86 L N -0.406 120.752 121.223 -0.109 0.000 2.072 86 L HA -0.165 4.176 4.340 0.001 0.000 0.205 86 L C 2.633 179.339 176.870 -0.274 0.000 1.079 86 L CA 1.486 56.273 54.840 -0.088 0.000 0.752 86 L CB -0.965 41.120 42.059 0.044 0.000 0.906 86 L HN 0.405 nan 8.230 nan 0.000 0.436 87 S N -0.768 114.617 115.700 -0.526 0.000 2.423 87 S HA -0.117 4.353 4.470 0.001 0.000 0.231 87 S C 1.664 176.120 174.600 -0.240 0.000 1.014 87 S CA 0.968 58.749 58.200 -0.697 0.000 0.965 87 S CB -0.391 62.383 63.200 -0.710 0.000 0.785 87 S HN 0.435 nan 8.310 nan 0.000 0.495 88 N N 1.240 119.865 118.700 -0.126 0.000 2.336 88 N HA 0.197 4.937 4.740 0.001 0.000 0.177 88 N C 1.569 177.051 175.510 -0.047 0.000 1.018 88 N CA 1.086 54.104 53.050 -0.053 0.000 0.878 88 N CB -0.123 38.350 38.487 -0.023 0.000 0.997 88 N HN 0.414 nan 8.380 nan 0.000 0.433 89 L N 0.783 121.977 121.223 -0.048 0.000 2.509 89 L HA 0.214 4.555 4.340 0.001 0.000 0.222 89 L C 0.232 177.094 176.870 -0.012 0.000 1.123 89 L CA 0.277 55.105 54.840 -0.019 0.000 0.856 89 L CB 0.105 42.164 42.059 0.000 0.000 0.985 89 L HN -0.041 nan 8.230 nan 0.000 0.456 90 L N -0.192 121.013 121.223 -0.030 0.000 2.346 90 L HA 0.403 4.743 4.340 0.001 0.000 0.276 90 L C -0.263 176.603 176.870 -0.007 0.000 1.006 90 L CA -0.426 54.409 54.840 -0.007 0.000 0.817 90 L CB 2.080 44.145 42.059 0.011 0.000 1.272 90 L HN -0.005 nan 8.230 nan 0.000 0.421 91 E N 1.127 121.335 120.200 0.013 0.000 2.232 91 E HA 0.265 4.616 4.350 0.001 0.000 0.264 91 E C -0.921 175.702 176.600 0.039 0.000 0.973 91 E CA -0.972 55.442 56.400 0.023 0.000 0.849 91 E CB 1.683 31.394 29.700 0.019 0.000 1.198 91 E HN 0.450 nan 8.360 nan 0.000 0.407 92 E N -0.166 120.061 120.200 0.046 0.000 2.585 92 E HA 0.012 4.362 4.350 0.001 0.000 0.252 92 E C 0.606 177.229 176.600 0.039 0.000 0.981 92 E CA 1.306 57.737 56.400 0.051 0.000 0.943 92 E CB -0.072 29.657 29.700 0.048 0.000 0.923 92 E HN 0.754 nan 8.360 nan 0.000 0.486 93 G N 3.910 112.733 108.800 0.038 0.000 2.234 93 G HA2 -0.232 3.729 3.960 0.001 0.000 0.235 93 G HA3 -0.232 3.729 3.960 0.001 0.000 0.235 93 G C -0.170 174.748 174.900 0.030 0.000 0.997 93 G CA 0.015 45.134 45.100 0.031 0.000 0.623 93 G HN 0.622 nan 8.290 nan 0.000 0.514 94 D N 1.030 121.449 120.400 0.032 0.000 2.414 94 D HA 0.395 5.036 4.640 0.001 0.000 0.242 94 D C 0.990 177.306 176.300 0.028 0.000 1.129 94 D CA 0.147 54.165 54.000 0.029 0.000 0.885 94 D CB 0.469 41.286 40.800 0.028 0.000 1.198 94 D HN 0.366 nan 8.370 nan 0.000 0.437 95 R N 0.861 121.377 120.500 0.027 0.000 2.265 95 R HA 0.419 4.759 4.340 0.001 0.000 0.314 95 R C -0.546 175.762 176.300 0.012 0.000 1.053 95 R CA -0.603 55.509 56.100 0.020 0.000 0.931 95 R CB 1.458 31.778 30.300 0.033 0.000 1.024 95 R HN 0.150 nan 8.270 nan 0.000 0.457 96 V N 5.762 125.673 119.914 -0.005 0.000 2.495 96 V HA 0.358 4.478 4.120 0.001 0.000 0.298 96 V C -1.181 174.883 176.094 -0.049 0.000 1.031 96 V CA -1.045 61.252 62.300 -0.005 0.000 0.871 96 V CB 1.760 33.591 31.823 0.014 0.000 0.988 96 V HN 0.529 nan 8.190 nan 0.000 0.432 97 L N 8.126 129.321 121.223 -0.046 0.000 2.275 97 L HA 0.660 5.000 4.340 0.001 0.000 0.288 97 L C -0.604 176.241 176.870 -0.042 0.000 1.046 97 L CA 0.266 55.046 54.840 -0.099 0.000 0.805 97 L CB 1.098 43.097 42.059 -0.100 0.000 1.193 97 L HN 0.617 nan 8.230 nan 0.000 0.426 98 I N 5.351 125.881 120.570 -0.067 0.000 2.418 98 I HA 0.501 4.672 4.170 0.001 0.000 0.287 98 I C -0.022 176.043 176.117 -0.086 0.000 1.008 98 I CA -0.751 60.549 61.300 -0.000 0.000 1.104 98 I CB 1.846 39.843 38.000 -0.005 0.000 1.264 98 I HN 0.758 nan 8.210 nan 0.000 0.438 99 A N 6.898 129.621 122.820 -0.163 0.000 2.347 99 A HA 0.572 4.893 4.320 0.001 0.000 0.287 99 A C -0.283 177.241 177.584 -0.099 0.000 1.199 99 A CA -0.265 51.488 52.037 -0.474 0.000 0.851 99 A CB 0.165 18.486 19.000 -1.133 0.000 1.118 99 A HN 0.484 nan 8.150 nan 0.000 0.525 100 V N 4.668 124.644 119.914 0.103 0.000 2.313 100 V HA 0.339 4.460 4.120 0.001 0.000 0.278 100 V C -0.050 176.259 176.094 0.358 0.000 1.017 100 V CA -0.374 62.056 62.300 0.217 0.000 0.823 100 V CB 0.791 32.676 31.823 0.104 0.000 1.010 100 V HN 1.017 nan 8.190 nan 0.000 0.443 101 N N 3.061 121.961 118.700 0.334 0.000 2.381 101 N HA 0.369 5.110 4.740 0.001 0.000 0.257 101 N C -0.275 175.305 175.510 0.117 0.000 1.409 101 N CA 0.299 53.460 53.050 0.185 0.000 0.836 101 N CB 1.485 40.007 38.487 0.058 0.000 1.384 101 N HN 0.680 nan 8.380 nan 0.000 0.490 102 G N -0.422 108.435 108.800 0.095 0.000 2.550 102 G HA2 0.372 4.333 3.960 0.001 0.000 0.293 102 G HA3 0.372 4.333 3.960 0.001 0.000 0.293 102 G C -0.211 174.627 174.900 -0.104 0.000 1.402 102 G CA -0.750 44.349 45.100 -0.002 0.000 0.784 102 G HN 0.069 nan 8.290 nan 0.000 0.482 103 I N -0.700 119.664 120.570 -0.343 0.000 2.493 103 I HA 0.004 4.175 4.170 0.001 0.000 0.254 103 I C 1.887 177.770 176.117 -0.391 0.000 1.160 103 I CA 0.972 61.989 61.300 -0.473 0.000 1.445 103 I CB 0.029 37.594 38.000 -0.726 0.000 1.086 103 I HN 0.665 nan 8.210 nan 0.000 0.433 104 W N 0.218 121.556 121.300 0.065 0.000 2.418 104 W HA 0.002 4.663 4.660 0.001 0.000 0.292 104 W C 2.601 179.146 176.519 0.044 0.000 1.213 104 W CA 0.669 58.056 57.345 0.069 0.000 1.283 104 W CB -0.477 29.065 29.460 0.137 0.000 1.119 104 W HN 0.060 nan 8.180 nan 0.000 0.542 105 A N 0.821 123.804 122.820 0.273 0.000 1.930 105 A HA -0.196 4.125 4.320 0.001 0.000 0.217 105 A C 1.745 179.311 177.584 -0.031 0.000 1.175 105 A CA 1.679 53.794 52.037 0.131 0.000 0.627 105 A CB -0.676 18.474 19.000 0.251 0.000 0.815 105 A HN 0.363 nan 8.150 nan 0.000 0.443 106 E N -0.468 119.721 120.200 -0.018 0.000 2.077 106 E HA -0.185 4.165 4.350 0.001 0.000 0.193 106 E C 2.291 178.857 176.600 -0.057 0.000 0.989 106 E CA 0.948 57.318 56.400 -0.050 0.000 0.800 106 E CB -0.145 29.513 29.700 -0.069 0.000 0.746 106 E HN 0.370 nan 8.360 nan 0.000 0.452 107 R N 0.330 120.812 120.500 -0.030 0.000 2.091 107 R HA -0.111 4.230 4.340 0.001 0.000 0.238 107 R C 2.261 178.515 176.300 -0.076 0.000 1.136 107 R CA 1.244 57.349 56.100 0.008 0.000 0.959 107 R CB -0.670 29.709 30.300 0.133 0.000 0.856 107 R HN 0.167 nan 8.270 nan 0.000 0.437 108 A N 0.757 123.447 122.820 -0.218 0.000 1.933 108 A HA -0.090 4.230 4.320 0.001 0.000 0.218 108 A C 2.510 179.956 177.584 -0.231 0.000 1.175 108 A CA 1.371 53.172 52.037 -0.395 0.000 0.628 108 A CB -0.506 17.853 19.000 -1.068 0.000 0.814 108 A HN 0.097 nan 8.150 nan 0.000 0.444 109 V N 0.207 120.020 119.914 -0.169 0.000 2.255 109 V HA -0.294 3.827 4.120 0.001 0.000 0.247 109 V C 2.618 178.669 176.094 -0.071 0.000 1.051 109 V CA 2.542 64.783 62.300 -0.099 0.000 1.018 109 V CB -0.801 30.978 31.823 -0.072 0.000 0.641 109 V HN 0.772 nan 8.190 nan 0.000 0.445 110 E N 0.151 120.312 120.200 -0.067 0.000 2.085 110 E HA -0.243 4.107 4.350 0.001 0.000 0.194 110 E C 2.106 178.663 176.600 -0.073 0.000 0.994 110 E CA 1.949 58.315 56.400 -0.058 0.000 0.801 110 E CB -0.340 29.334 29.700 -0.043 0.000 0.743 110 E HN 0.565 nan 8.360 nan 0.000 0.453 111 M N -0.301 119.259 119.600 -0.066 0.000 2.132 111 M HA -0.095 4.386 4.480 0.001 0.000 0.263 111 M C 2.361 178.652 176.300 -0.015 0.000 1.065 111 M CA 1.525 56.777 55.300 -0.080 0.000 1.122 111 M CB -0.063 32.548 32.600 0.019 0.000 1.365 111 M HN 0.035 nan 8.290 nan 0.000 0.411 112 S N 0.356 116.079 115.700 0.039 0.000 2.382 112 S HA -0.138 4.333 4.470 0.001 0.000 0.228 112 S C 1.684 176.320 174.600 0.060 0.000 1.027 112 S CA 1.217 59.475 58.200 0.096 0.000 0.991 112 S CB -0.369 62.846 63.200 0.025 0.000 0.823 112 S HN 0.480 nan 8.310 nan 0.000 0.469 113 E N 1.159 121.357 120.200 -0.005 0.000 2.031 113 E HA -0.132 4.218 4.350 0.001 0.000 0.193 113 E C 2.380 178.962 176.600 -0.029 0.000 0.994 113 E CA 0.948 57.339 56.400 -0.015 0.000 0.800 113 E CB -0.145 29.535 29.700 -0.032 0.000 0.752 113 E HN 0.392 nan 8.360 nan 0.000 0.447 114 R N -0.159 120.280 120.500 -0.101 0.000 2.127 114 R HA -0.135 4.205 4.340 0.001 0.000 0.238 114 R C 1.784 177.992 176.300 -0.153 0.000 1.134 114 R CA 1.227 57.223 56.100 -0.174 0.000 0.975 114 R CB -0.226 29.894 30.300 -0.300 0.000 0.865 114 R HN 0.337 nan 8.270 nan 0.000 0.447 115 Y N -0.347 119.973 120.300 0.033 0.000 2.529 115 Y HA 0.096 4.646 4.550 0.000 0.000 0.290 115 Y C 1.462 177.379 175.900 0.029 0.000 1.177 115 Y CA 0.114 58.239 58.100 0.042 0.000 1.305 115 Y CB 0.600 39.091 38.460 0.052 0.000 1.047 115 Y HN 0.286 nan 8.280 nan 0.000 0.522 116 G N 0.432 109.308 108.800 0.128 0.000 2.147 116 G HA2 -0.243 3.718 3.960 0.001 0.000 0.244 116 G HA3 -0.243 3.718 3.960 0.001 0.000 0.244 116 G C 0.286 175.230 174.900 0.074 0.000 1.005 116 G CA -0.055 45.094 45.100 0.082 0.000 0.713 116 G HN 0.583 nan 8.290 nan 0.000 0.515 117 A N -0.439 122.430 122.820 0.082 0.000 2.313 117 A HA 0.561 4.881 4.320 0.001 0.000 0.261 117 A C 0.445 178.048 177.584 0.032 0.000 1.090 117 A CA 0.488 52.559 52.037 0.057 0.000 0.807 117 A CB 0.464 19.500 19.000 0.060 0.000 1.055 117 A HN 0.562 nan 8.150 nan 0.000 0.492 118 D N 0.973 121.386 120.400 0.023 0.000 2.441 118 D HA 0.359 5.000 4.640 0.001 0.000 0.221 118 D C -0.687 175.608 176.300 -0.009 0.000 1.156 118 D CA -0.072 53.935 54.000 0.011 0.000 0.896 118 D CB 0.272 41.084 40.800 0.019 0.000 1.028 118 D HN 0.113 nan 8.370 nan 0.000 0.509 119 V N 5.755 125.657 119.914 -0.020 0.000 2.427 119 V HA 0.317 4.438 4.120 0.001 0.000 0.268 119 V C 0.573 176.614 176.094 -0.089 0.000 1.046 119 V CA -0.471 61.800 62.300 -0.048 0.000 0.970 119 V CB 0.594 32.392 31.823 -0.041 0.000 1.001 119 V HN 0.341 nan 8.190 nan 0.000 0.476 120 R N 3.356 123.758 120.500 -0.164 0.000 2.393 120 R HA 0.633 4.974 4.340 0.001 0.000 0.310 120 R C 0.116 176.244 176.300 -0.286 0.000 0.968 120 R CA -0.395 55.505 56.100 -0.334 0.000 0.867 120 R CB 1.688 31.582 30.300 -0.678 0.000 1.124 120 R HN 0.862 nan 8.270 nan 0.000 0.450 121 T N -0.593 113.828 114.554 -0.221 0.000 2.924 121 T HA 0.701 5.051 4.350 0.001 0.000 0.291 121 T C 0.031 174.677 174.700 -0.090 0.000 1.045 121 T CA -0.877 61.146 62.100 -0.129 0.000 1.015 121 T CB 1.723 70.556 68.868 -0.058 0.000 1.103 121 T HN 0.538 nan 8.240 nan 0.000 0.496 122 I N 0.846 121.380 120.570 -0.060 0.000 2.512 122 I HA 0.577 4.747 4.170 0.001 0.000 0.287 122 I C -1.089 175.089 176.117 0.103 0.000 1.069 122 I CA -0.689 60.617 61.300 0.010 0.000 1.056 122 I CB 2.092 40.072 38.000 -0.033 0.000 1.229 122 I HN 0.758 nan 8.210 nan 0.000 0.429 123 E N 4.254 124.555 120.200 0.169 0.000 2.319 123 E HA 0.768 5.119 4.350 0.001 0.000 0.268 123 E C -0.154 176.643 176.600 0.327 0.000 1.050 123 E CA -0.065 56.472 56.400 0.228 0.000 0.878 123 E CB 1.797 31.568 29.700 0.119 0.000 1.066 123 E HN 0.844 nan 8.360 nan 0.000 0.406 124 G N 1.652 110.581 108.800 0.215 0.000 2.692 124 G HA2 0.470 4.430 3.960 0.001 0.000 0.291 124 G HA3 0.470 4.430 3.960 0.001 0.000 0.291 124 G C -2.755 172.067 174.900 -0.130 0.000 1.423 124 G CA -1.277 43.758 45.100 -0.108 0.000 0.843 124 G HN 0.384 nan 8.290 nan 0.000 0.486 125 P HA 0.240 nan 4.420 nan 0.000 0.271 125 P C -1.992 175.244 177.300 -0.108 0.000 1.218 125 P CA -1.309 61.722 63.100 -0.114 0.000 0.780 125 P CB 1.681 33.303 31.700 -0.130 0.000 0.901 126 P HA -0.115 nan 4.420 nan 0.000 0.230 126 P C 0.399 177.790 177.300 0.153 0.000 1.158 126 P CA 1.284 64.450 63.100 0.109 0.000 0.769 126 P CB 0.048 31.900 31.700 0.254 0.000 0.807 127 D N -1.858 118.543 120.400 0.002 0.000 2.469 127 D HA 0.108 4.748 4.640 0.001 0.000 0.215 127 D C 0.452 176.677 176.300 -0.126 0.000 1.154 127 D CA -0.246 53.715 54.000 -0.065 0.000 0.832 127 D CB 0.168 40.759 40.800 -0.348 0.000 1.008 127 D HN 0.051 nan 8.370 nan 0.000 0.506 128 R N 0.801 121.178 120.500 -0.206 0.000 2.621 128 R HA 0.441 4.782 4.340 0.001 0.000 0.284 128 R C -2.728 173.306 176.300 -0.444 0.000 0.998 128 R CA -1.629 54.261 56.100 -0.349 0.000 0.895 128 R CB 2.817 32.950 30.300 -0.278 0.000 1.195 128 R HN -0.028 nan 8.270 nan 0.000 0.450 129 P HA 0.110 nan 4.420 nan 0.000 0.275 129 P C -0.797 176.269 177.300 -0.391 0.000 1.266 129 P CA -0.152 62.726 63.100 -0.369 0.000 0.793 129 P CB 0.540 32.086 31.700 -0.255 0.000 1.074 130 F N -0.258 119.646 119.950 -0.077 0.000 2.396 130 F HA 0.209 4.737 4.527 0.001 0.000 0.343 130 F C 1.666 177.431 175.800 -0.057 0.000 1.104 130 F CA -0.001 57.967 58.000 -0.053 0.000 1.161 130 F CB 0.637 39.619 39.000 -0.030 0.000 1.146 130 F HN 0.215 nan 8.300 nan 0.000 0.522 131 S N 3.235 119.005 115.700 0.117 0.000 2.632 131 S HA 0.282 4.752 4.470 0.001 0.000 0.267 131 S C 1.037 175.670 174.600 0.055 0.000 1.276 131 S CA -0.815 57.417 58.200 0.054 0.000 0.998 131 S CB 0.859 64.078 63.200 0.032 0.000 0.953 131 S HN 0.753 nan 8.310 nan 0.000 0.547 132 L N 0.546 121.779 121.223 0.016 0.000 2.131 132 L HA -0.120 4.221 4.340 0.001 0.000 0.210 132 L C 2.555 179.428 176.870 0.005 0.000 1.092 132 L CA 1.532 56.370 54.840 -0.002 0.000 0.759 132 L CB -0.612 41.435 42.059 -0.019 0.000 0.903 132 L HN 0.728 nan 8.230 nan 0.000 0.435 133 E N -0.504 119.704 120.200 0.014 0.000 2.028 133 E HA -0.158 4.193 4.350 0.001 0.000 0.191 133 E C 2.096 178.708 176.600 0.020 0.000 0.988 133 E CA 1.756 58.164 56.400 0.014 0.000 0.799 133 E CB -0.579 29.130 29.700 0.015 0.000 0.755 133 E HN 0.321 nan 8.360 nan 0.000 0.447 134 T N 1.242 115.822 114.554 0.044 0.000 2.665 134 T HA -0.154 4.196 4.350 0.001 0.000 0.268 134 T C 1.929 176.650 174.700 0.034 0.000 1.035 134 T CA 1.269 63.410 62.100 0.068 0.000 1.151 134 T CB -0.367 68.592 68.868 0.152 0.000 0.862 134 T HN 0.050 nan 8.240 nan 0.000 0.438 135 L N 0.677 121.910 121.223 0.016 0.000 2.056 135 L HA -0.019 4.322 4.340 0.001 0.000 0.207 135 L C 3.103 179.941 176.870 -0.053 0.000 1.078 135 L CA 1.135 55.949 54.840 -0.045 0.000 0.749 135 L CB -0.747 41.276 42.059 -0.060 0.000 0.901 135 L HN 0.235 nan 8.230 nan 0.000 0.433 136 A N 0.026 122.823 122.820 -0.038 0.000 1.902 136 A HA -0.239 4.081 4.320 0.001 0.000 0.217 136 A C 2.436 179.974 177.584 -0.076 0.000 1.181 136 A CA 1.710 53.716 52.037 -0.050 0.000 0.623 136 A CB -0.549 18.445 19.000 -0.010 0.000 0.818 136 A HN 0.286 nan 8.150 nan 0.000 0.443 137 R N -0.727 119.749 120.500 -0.041 0.000 2.080 137 R HA -0.127 4.213 4.340 0.001 0.000 0.236 137 R C 2.480 178.749 176.300 -0.053 0.000 1.137 137 R CA 1.420 57.495 56.100 -0.041 0.000 0.943 137 R CB -0.432 29.860 30.300 -0.013 0.000 0.846 137 R HN 0.498 nan 8.270 nan 0.000 0.431 138 A N 0.805 123.613 122.820 -0.020 0.000 1.908 138 A HA -0.182 4.139 4.320 0.001 0.000 0.218 138 A C 2.118 179.728 177.584 0.044 0.000 1.181 138 A CA 1.466 53.531 52.037 0.046 0.000 0.627 138 A CB -0.543 18.484 19.000 0.044 0.000 0.818 138 A HN 0.304 nan 8.150 nan 0.000 0.445 139 I N -0.862 119.665 120.570 -0.071 0.000 2.142 139 I HA -0.264 3.906 4.170 0.001 0.000 0.240 139 I C 2.544 178.506 176.117 -0.257 0.000 1.078 139 I CA 1.734 62.942 61.300 -0.153 0.000 1.343 139 I CB -0.473 37.390 38.000 -0.229 0.000 1.046 139 I HN 0.400 nan 8.210 nan 0.000 0.405 140 E N 0.803 120.796 120.200 -0.345 0.000 2.049 140 E HA -0.278 4.073 4.350 0.001 0.000 0.198 140 E C 2.246 178.757 176.600 -0.147 0.000 1.007 140 E CA 1.495 57.728 56.400 -0.279 0.000 0.809 140 E CB -0.170 29.435 29.700 -0.159 0.000 0.749 140 E HN 0.410 nan 8.360 nan 0.000 0.450 141 L N 0.114 121.244 121.223 -0.154 0.000 1.955 141 L HA -0.261 4.079 4.340 0.001 0.000 0.213 141 L C 1.916 178.638 176.870 -0.246 0.000 1.072 141 L CA 1.957 56.656 54.840 -0.235 0.000 0.755 141 L CB -0.203 41.629 42.059 -0.379 0.000 0.888 141 L HN 0.290 nan 8.230 nan 0.000 0.432 142 H N -0.724 118.313 119.070 -0.055 0.000 2.551 142 H HA 0.064 4.621 4.556 0.001 0.000 0.266 142 H C 0.139 175.449 175.328 -0.030 0.000 0.964 142 H CA -0.094 55.932 56.048 -0.037 0.000 1.180 142 H CB 0.244 29.984 29.762 -0.037 0.000 1.408 142 H HN 0.285 nan 8.280 nan 0.000 0.563 143 Q N 0.636 120.466 119.800 0.050 0.000 2.431 143 Q HA -0.137 4.203 4.340 0.001 0.000 0.344 143 Q C -2.453 173.582 176.000 0.058 0.000 1.384 143 Q CA 0.332 56.161 55.803 0.043 0.000 0.984 143 Q CB -1.329 27.437 28.738 0.048 0.000 1.204 143 Q HN 0.503 nan 8.270 nan 0.000 0.392 144 P HA 0.099 nan 4.420 nan 0.000 0.277 144 P C 0.651 177.976 177.300 0.042 0.000 1.240 144 P CA -0.322 62.801 63.100 0.039 0.000 0.798 144 P CB 0.930 32.640 31.700 0.016 0.000 0.979 145 K N 0.357 120.780 120.400 0.039 0.000 2.097 145 K HA -0.018 4.303 4.320 0.001 0.000 0.205 145 K C -0.162 176.465 176.600 0.044 0.000 1.050 145 K CA 1.131 57.443 56.287 0.042 0.000 0.938 145 K CB -0.028 32.493 32.500 0.035 0.000 0.718 145 K HN 0.517 nan 8.250 nan 0.000 0.442 146 C N 0.316 119.640 119.300 0.039 0.000 2.797 146 C HA 0.469 4.929 4.460 0.001 0.000 0.306 146 C C -1.061 173.950 174.990 0.036 0.000 1.207 146 C CA -1.415 57.630 59.018 0.045 0.000 1.507 146 C CB 1.280 29.057 27.740 0.062 0.000 2.028 146 C HN 0.336 nan 8.230 nan 0.000 0.475 147 L N 2.522 123.761 121.223 0.026 0.000 2.313 147 L HA 0.694 5.034 4.340 0.001 0.000 0.283 147 L C -0.951 175.956 176.870 0.061 0.000 1.013 147 L CA -0.208 54.642 54.840 0.015 0.000 0.816 147 L CB 0.679 42.712 42.059 -0.043 0.000 1.236 147 L HN 0.664 nan 8.230 nan 0.000 0.419 148 F N 6.101 126.026 119.950 -0.043 0.000 2.404 148 F HA 0.654 5.181 4.527 0.001 0.000 0.354 148 F C -1.259 174.524 175.800 -0.029 0.000 1.122 148 F CA -0.465 57.527 58.000 -0.013 0.000 1.080 148 F CB 0.795 39.803 39.000 0.014 0.000 1.131 148 F HN 0.384 nan 8.300 nan 0.000 0.471 149 L N 5.452 126.303 121.223 -0.620 0.000 2.365 149 L HA 0.401 4.742 4.340 0.001 0.000 0.273 149 L C -0.200 176.306 176.870 -0.607 0.000 1.000 149 L CA -0.896 53.693 54.840 -0.418 0.000 0.819 149 L CB 2.347 44.287 42.059 -0.199 0.000 1.284 149 L HN 0.516 nan 8.230 nan 0.000 0.418 150 T N 0.887 115.338 114.554 -0.172 0.000 2.814 150 T HA 0.062 4.412 4.350 0.001 0.000 0.297 150 T C 0.573 175.315 174.700 0.071 0.000 0.956 150 T CA -0.049 62.050 62.100 -0.002 0.000 1.123 150 T CB 0.873 69.897 68.868 0.259 0.000 0.902 150 T HN 0.490 nan 8.240 nan 0.000 0.528 151 H N 3.696 122.724 119.070 -0.072 0.000 2.281 151 H HA 0.253 4.809 4.556 0.001 0.000 0.310 151 H C 1.355 176.709 175.328 0.043 0.000 1.052 151 H CA 1.484 57.538 56.048 0.010 0.000 1.331 151 H CB -0.501 29.293 29.762 0.054 0.000 1.419 151 H HN 0.669 nan 8.280 nan 0.000 0.518 152 G N 0.764 109.484 108.800 -0.134 0.000 2.322 152 G HA2 0.240 4.201 3.960 0.001 0.000 0.309 152 G HA3 0.240 4.201 3.960 0.001 0.000 0.309 152 G C -1.052 173.860 174.900 0.019 0.000 1.121 152 G CA -0.470 44.553 45.100 -0.128 0.000 0.886 152 G HN 0.438 nan 8.290 nan 0.000 0.447 153 D N 1.851 122.310 120.400 0.099 0.000 2.359 153 D HA 0.163 4.804 4.640 0.001 0.000 0.230 153 D C 1.562 177.997 176.300 0.225 0.000 1.118 153 D CA -0.289 53.852 54.000 0.236 0.000 0.844 153 D CB 1.473 42.406 40.800 0.222 0.000 1.059 153 D HN 0.315 nan 8.370 nan 0.000 0.493 154 S N 1.357 117.277 115.700 0.367 0.000 2.522 154 S HA -0.134 4.337 4.470 0.001 0.000 0.227 154 S C 1.754 176.492 174.600 0.230 0.000 0.986 154 S CA 0.669 59.038 58.200 0.281 0.000 0.929 154 S CB -0.053 63.310 63.200 0.273 0.000 0.769 154 S HN 0.385 nan 8.310 nan 0.000 0.529 155 S N 1.741 117.563 115.700 0.203 0.000 2.496 155 S HA 0.027 4.498 4.470 0.001 0.000 0.224 155 S C 1.775 176.272 174.600 -0.171 0.000 0.996 155 S CA 0.688 58.859 58.200 -0.049 0.000 0.927 155 S CB -0.388 62.669 63.200 -0.238 0.000 0.774 155 S HN 0.731 nan 8.310 nan 0.000 0.524 156 S N -0.393 115.250 115.700 -0.096 0.000 2.741 156 S HA 0.560 5.031 4.470 0.001 0.000 0.245 156 S C 1.545 176.156 174.600 0.018 0.000 1.083 156 S CA 0.475 58.570 58.200 -0.174 0.000 0.873 156 S CB -0.195 63.020 63.200 0.025 0.000 0.814 156 S HN 1.491 nan 8.310 nan 0.000 0.476 157 G N 1.174 110.018 108.800 0.074 0.000 2.131 157 G HA2 -0.155 3.806 3.960 0.001 0.000 0.223 157 G HA3 -0.155 3.806 3.960 0.001 0.000 0.223 157 G C -0.364 174.605 174.900 0.116 0.000 0.990 157 G CA 0.104 45.264 45.100 0.101 0.000 0.671 157 G HN 0.703 nan 8.290 nan 0.000 0.521 158 L N 0.516 121.807 121.223 0.114 0.000 2.312 158 L HA 0.884 5.224 4.340 0.001 0.000 0.281 158 L C -0.093 176.809 176.870 0.054 0.000 1.070 158 L CA -1.229 53.667 54.840 0.093 0.000 0.805 158 L CB 1.380 43.493 42.059 0.090 0.000 1.174 158 L HN 0.207 nan 8.230 nan 0.000 0.434 159 L N 4.288 125.536 121.223 0.042 0.000 2.305 159 L HA 0.494 4.834 4.340 0.001 0.000 0.284 159 L C -0.653 176.240 176.870 0.038 0.000 1.013 159 L CA -0.253 54.585 54.840 -0.003 0.000 0.819 159 L CB 1.435 43.488 42.059 -0.009 0.000 1.227 159 L HN 0.768 nan 8.230 nan 0.000 0.417 160 Q N 6.917 126.763 119.800 0.077 0.000 2.322 160 Q HA 0.473 4.813 4.340 0.001 0.000 0.256 160 Q C -2.444 173.646 176.000 0.150 0.000 0.960 160 Q CA -1.845 54.033 55.803 0.125 0.000 0.934 160 Q CB 1.217 30.058 28.738 0.172 0.000 1.200 160 Q HN 0.389 nan 8.270 nan 0.000 0.435 161 P HA -0.013 nan 4.420 nan 0.000 0.264 161 P C -0.469 176.735 177.300 -0.160 0.000 1.193 161 P CA 0.417 63.488 63.100 -0.048 0.000 0.763 161 P CB 0.612 32.283 31.700 -0.047 0.000 0.810 162 L N 1.076 122.051 121.223 -0.414 0.000 2.701 162 L HA 0.164 4.504 4.340 0.001 0.000 0.238 162 L C 0.445 176.915 176.870 -0.667 0.000 1.106 162 L CA 0.048 54.582 54.840 -0.511 0.000 0.898 162 L CB -0.149 41.564 42.059 -0.577 0.000 1.188 162 L HN 0.294 nan 8.230 nan 0.000 0.508 163 E N 1.054 120.741 120.200 -0.855 0.000 2.480 163 E HA 0.242 4.592 4.350 0.001 0.000 0.258 163 E C 1.133 177.538 176.600 -0.325 0.000 0.984 163 E CA 1.170 57.164 56.400 -0.676 0.000 0.930 163 E CB 0.219 29.622 29.700 -0.495 0.000 0.936 163 E HN 0.324 nan 8.360 nan 0.000 0.466 164 G N 1.508 110.174 108.800 -0.223 0.000 2.258 164 G HA2 -0.349 3.611 3.960 0.001 0.000 0.233 164 G HA3 -0.349 3.611 3.960 0.001 0.000 0.233 164 G C 1.128 175.961 174.900 -0.111 0.000 1.006 164 G CA 0.137 45.163 45.100 -0.124 0.000 0.620 164 G HN 0.397 nan 8.290 nan 0.000 0.511 165 V N 1.619 121.444 119.914 -0.149 0.000 2.295 165 V HA 0.050 4.171 4.120 0.001 0.000 0.246 165 V C 3.101 179.102 176.094 -0.154 0.000 1.049 165 V CA 3.144 65.364 62.300 -0.134 0.000 1.024 165 V CB -1.226 30.510 31.823 -0.145 0.000 0.648 165 V HN 0.763 nan 8.190 nan 0.000 0.447 166 G N -1.148 107.550 108.800 -0.170 0.000 2.421 166 G HA2 -0.344 3.617 3.960 0.001 0.000 0.216 166 G HA3 -0.344 3.617 3.960 0.001 0.000 0.216 166 G C 1.528 176.219 174.900 -0.348 0.000 1.171 166 G CA 1.024 45.949 45.100 -0.292 0.000 0.775 166 G HN 0.525 nan 8.290 nan 0.000 0.543 167 Q N -0.081 119.655 119.800 -0.107 0.000 2.096 167 Q HA -0.160 4.180 4.340 0.001 0.000 0.208 167 Q C 2.566 178.559 176.000 -0.012 0.000 0.993 167 Q CA 1.718 57.515 55.803 -0.010 0.000 0.862 167 Q CB -0.254 28.488 28.738 0.006 0.000 0.915 167 Q HN 0.599 nan 8.270 nan 0.000 0.416 168 I N -0.127 120.428 120.570 -0.026 0.000 2.179 168 I HA -0.353 3.817 4.170 0.001 0.000 0.242 168 I C 2.549 178.719 176.117 0.089 0.000 1.088 168 I CA 0.842 62.171 61.300 0.049 0.000 1.357 168 I CB -0.426 37.592 38.000 0.030 0.000 1.051 168 I HN 0.398 nan 8.210 nan 0.000 0.409 169 C N 0.213 119.478 119.300 -0.060 0.000 2.413 169 C HA -0.194 4.266 4.460 0.001 0.000 0.276 169 C C 2.813 177.817 174.990 0.022 0.000 1.248 169 C CA 0.778 59.756 59.018 -0.066 0.000 1.742 169 C CB -1.500 26.111 27.740 -0.213 0.000 2.017 169 C HN 0.508 nan 8.230 nan 0.000 0.481 170 H N 0.357 119.456 119.070 0.048 0.000 2.428 170 H HA -0.062 4.494 4.556 0.001 0.000 0.296 170 H C 2.258 177.585 175.328 -0.003 0.000 1.062 170 H CA 1.136 57.197 56.048 0.022 0.000 1.350 170 H CB -0.689 29.077 29.762 0.008 0.000 1.403 170 H HN 0.635 nan 8.280 nan 0.000 0.533 171 Q N -0.023 119.824 119.800 0.079 0.000 2.234 171 Q HA -0.131 4.209 4.340 0.001 0.000 0.206 171 Q C 0.718 176.568 176.000 -0.249 0.000 0.980 171 Q CA 1.047 56.791 55.803 -0.100 0.000 0.869 171 Q CB 0.095 28.733 28.738 -0.168 0.000 0.912 171 Q HN 0.648 nan 8.270 nan 0.000 0.436 172 H N -0.607 118.486 119.070 0.039 0.000 2.486 172 H HA 0.098 4.655 4.556 0.001 0.000 0.284 172 H C -0.355 174.997 175.328 0.040 0.000 1.103 172 H CA -0.043 56.023 56.048 0.030 0.000 1.089 172 H CB 0.613 30.385 29.762 0.016 0.000 1.603 172 H HN 0.223 nan 8.280 nan 0.000 0.557 173 D N 0.795 121.272 120.400 0.127 0.000 2.837 173 D HA -0.183 4.457 4.640 0.001 0.000 0.230 173 D C -0.256 176.114 176.300 0.117 0.000 1.152 173 D CA 0.457 54.521 54.000 0.107 0.000 0.736 173 D CB -1.286 39.557 40.800 0.072 0.000 1.084 173 D HN 0.346 nan 8.370 nan 0.000 0.429 174 C N 0.806 120.190 119.300 0.140 0.000 2.382 174 C HA 0.647 5.107 4.460 0.001 0.000 0.327 174 C C 0.386 175.442 174.990 0.110 0.000 1.250 174 C CA -0.810 58.267 59.018 0.098 0.000 1.707 174 C CB 0.722 28.500 27.740 0.065 0.000 2.272 174 C HN 0.245 nan 8.230 nan 0.000 0.506 175 L N 5.215 126.490 121.223 0.088 0.000 2.349 175 L HA 0.379 4.719 4.340 0.001 0.000 0.275 175 L C -0.085 176.802 176.870 0.028 0.000 1.115 175 L CA -0.481 54.416 54.840 0.094 0.000 0.820 175 L CB 0.918 43.024 42.059 0.078 0.000 1.135 175 L HN 0.531 nan 8.230 nan 0.000 0.445 176 L N 5.575 126.797 121.223 -0.002 0.000 2.257 176 L HA 0.474 4.815 4.340 0.001 0.000 0.290 176 L C -0.461 176.395 176.870 -0.023 0.000 1.044 176 L CA -0.176 54.634 54.840 -0.050 0.000 0.810 176 L CB 1.089 43.078 42.059 -0.118 0.000 1.193 176 L HN 0.469 nan 8.230 nan 0.000 0.425 177 I N 5.809 126.362 120.570 -0.028 0.000 2.378 177 I HA 0.700 4.870 4.170 0.001 0.000 0.291 177 I C -1.314 174.679 176.117 -0.207 0.000 0.992 177 I CA -0.208 61.075 61.300 -0.029 0.000 1.154 177 I CB 1.772 39.831 38.000 0.099 0.000 1.315 177 I HN 0.295 nan 8.210 nan 0.000 0.448 178 V N 6.492 126.277 119.914 -0.215 0.000 2.588 178 V HA 0.389 4.509 4.120 0.001 0.000 0.304 178 V C -0.756 175.061 176.094 -0.462 0.000 1.042 178 V CA -0.577 61.527 62.300 -0.326 0.000 0.877 178 V CB 1.650 33.413 31.823 -0.100 0.000 0.996 178 V HN 0.782 nan 8.190 nan 0.000 0.425 179 D N 4.175 124.212 120.400 -0.604 0.000 2.411 179 D HA 0.409 5.050 4.640 0.001 0.000 0.225 179 D C 0.410 176.419 176.300 -0.485 0.000 1.156 179 D CA -0.239 53.289 54.000 -0.786 0.000 0.874 179 D CB 1.800 42.366 40.800 -0.391 0.000 1.034 179 D HN 0.652 nan 8.370 nan 0.000 0.502 180 A N 3.832 126.325 122.820 -0.545 0.000 2.577 180 A HA 0.201 4.521 4.320 0.001 0.000 0.280 180 A C 1.772 179.171 177.584 -0.308 0.000 1.331 180 A CA -0.297 51.542 52.037 -0.329 0.000 0.935 180 A CB 0.032 18.723 19.000 -0.514 0.000 1.082 180 A HN 0.465 nan 8.150 nan 0.000 0.525 181 V N -0.323 119.374 119.914 -0.363 0.000 2.343 181 V HA -0.260 3.860 4.120 0.001 0.000 0.247 181 V C 2.719 178.685 176.094 -0.214 0.000 1.051 181 V CA 2.439 64.573 62.300 -0.277 0.000 1.036 181 V CB -0.604 31.026 31.823 -0.321 0.000 0.654 181 V HN 0.642 nan 8.190 nan 0.000 0.451 182 A N -0.400 122.296 122.820 -0.207 0.000 2.267 182 A HA 0.089 4.409 4.320 0.001 0.000 0.213 182 A C 2.268 179.782 177.584 -0.117 0.000 1.192 182 A CA 0.984 52.938 52.037 -0.138 0.000 0.851 182 A CB -0.083 18.859 19.000 -0.097 0.000 0.881 182 A HN 0.612 nan 8.150 nan 0.000 0.494 183 S N -0.906 114.712 115.700 -0.136 0.000 2.468 183 S HA 0.225 4.695 4.470 0.001 0.000 0.226 183 S C 0.519 175.067 174.600 -0.087 0.000 1.051 183 S CA -0.231 57.895 58.200 -0.123 0.000 0.943 183 S CB -0.664 62.428 63.200 -0.180 0.000 0.810 183 S HN 0.249 nan 8.310 nan 0.000 0.509 184 L N 2.676 123.812 121.223 -0.144 0.000 2.578 184 L HA 0.152 4.493 4.340 0.001 0.000 0.279 184 L C 0.622 177.399 176.870 -0.154 0.000 1.227 184 L CA 0.608 55.329 54.840 -0.198 0.000 0.900 184 L CB -0.382 41.496 42.059 -0.302 0.000 1.144 184 L HN 0.697 nan 8.230 nan 0.000 0.496 185 C N 1.823 121.036 119.300 -0.144 0.000 4.784 185 C HA -0.180 4.281 4.460 0.001 0.000 0.261 185 C C 1.647 176.591 174.990 -0.076 0.000 1.492 185 C CA 0.684 59.629 59.018 -0.122 0.000 1.622 185 C CB -2.567 25.098 27.740 -0.125 0.000 1.855 185 C HN 1.104 nan 8.230 nan 0.000 0.662 186 G N -0.967 107.796 108.800 -0.061 0.000 2.709 186 G HA2 0.449 4.410 3.960 0.001 0.000 0.208 186 G HA3 0.449 4.410 3.960 0.001 0.000 0.208 186 G C 0.300 175.194 174.900 -0.011 0.000 1.129 186 G CA 1.152 46.228 45.100 -0.039 0.000 0.793 186 G HN 1.465 nan 8.290 nan 0.000 0.524 187 V N -3.603 116.321 119.914 0.016 0.000 3.159 187 V HA 0.717 4.838 4.120 0.001 0.000 0.308 187 V C -3.074 173.073 176.094 0.088 0.000 1.190 187 V CA -2.863 59.480 62.300 0.072 0.000 1.037 187 V CB 1.723 33.615 31.823 0.114 0.000 1.060 187 V HN -0.107 nan 8.190 nan 0.000 0.437 188 P HA 0.379 nan 4.420 nan 0.000 0.267 188 P C -1.322 175.950 177.300 -0.047 0.000 1.200 188 P CA 0.466 63.534 63.100 -0.054 0.000 0.772 188 P CB 0.053 31.825 31.700 0.120 0.000 0.855 189 F N 2.992 122.458 119.950 -0.807 0.000 2.604 189 F HA 0.465 4.993 4.527 0.001 0.000 0.316 189 F C -1.705 173.222 175.800 -1.454 0.000 1.136 189 F CA -0.604 56.868 58.000 -0.880 0.000 0.989 189 F CB 1.366 40.180 39.000 -0.310 0.000 1.258 189 F HN 0.224 nan 8.300 nan 0.000 0.451 190 Y N 7.436 126.589 120.300 -1.912 0.000 2.535 190 Y HA 0.263 4.813 4.550 0.001 0.000 0.341 190 Y C 0.897 176.118 175.900 -1.131 0.000 1.041 190 Y CA -0.714 56.625 58.100 -1.268 0.000 1.307 190 Y CB 1.587 39.279 38.460 -1.280 0.000 1.095 190 Y HN 0.750 nan 8.280 nan 0.000 0.534 191 M N 0.674 119.987 119.600 -0.479 0.000 2.082 191 M HA -0.240 4.241 4.480 0.001 0.000 0.258 191 M C 0.685 176.904 176.300 -0.136 0.000 1.069 191 M CA 2.255 57.418 55.300 -0.228 0.000 1.102 191 M CB 0.158 32.810 32.600 0.087 0.000 1.336 191 M HN 0.637 nan 8.290 nan 0.000 0.404 192 D N 0.060 120.405 120.400 -0.092 0.000 2.110 192 D HA -0.099 4.541 4.640 0.001 0.000 0.202 192 D C 1.911 178.194 176.300 -0.030 0.000 0.975 192 D CA 1.201 55.180 54.000 -0.035 0.000 0.839 192 D CB -0.291 40.500 40.800 -0.016 0.000 0.996 192 D HN 0.341 nan 8.370 nan 0.000 0.464 193 K N -0.151 120.193 120.400 -0.093 0.000 2.113 193 K HA -0.159 4.161 4.320 0.001 0.000 0.208 193 K C 1.335 178.012 176.600 0.130 0.000 1.047 193 K CA 0.932 57.182 56.287 -0.063 0.000 0.928 193 K CB -0.092 32.268 32.500 -0.234 0.000 0.716 193 K HN 0.263 nan 8.250 nan 0.000 0.446 194 W N 1.238 122.477 121.300 -0.102 0.000 3.388 194 W HA 0.133 4.793 4.660 0.001 0.000 0.324 194 W C -0.352 176.107 176.519 -0.100 0.000 1.250 194 W CA -0.334 56.931 57.345 -0.133 0.000 1.809 194 W CB -0.662 28.654 29.460 -0.240 0.000 1.083 194 W HN 0.175 nan 8.180 nan 0.000 0.685 195 E N -0.038 120.256 120.200 0.157 0.000 2.297 195 E HA -0.243 4.108 4.350 0.001 0.000 0.228 195 E C -0.184 176.511 176.600 0.158 0.000 1.213 195 E CA 0.246 56.757 56.400 0.183 0.000 0.712 195 E CB -1.616 28.224 29.700 0.235 0.000 1.202 195 E HN 0.209 nan 8.360 nan 0.000 0.376 196 I N 0.496 121.123 120.570 0.094 0.000 2.365 196 I HA 0.069 4.240 4.170 0.001 0.000 0.291 196 I C 1.371 177.527 176.117 0.065 0.000 1.004 196 I CA -0.185 61.147 61.300 0.053 0.000 1.311 196 I CB 0.941 38.961 38.000 0.032 0.000 1.401 196 I HN 0.029 nan 8.210 nan 0.000 0.491 197 D N 4.978 125.417 120.400 0.065 0.000 2.366 197 D HA 0.219 4.860 4.640 0.001 0.000 0.205 197 D C 0.275 176.578 176.300 0.004 0.000 1.022 197 D CA 0.475 54.509 54.000 0.057 0.000 0.868 197 D CB 0.953 41.814 40.800 0.102 0.000 0.953 197 D HN 0.552 nan 8.370 nan 0.000 0.514 198 A N 0.955 123.766 122.820 -0.016 0.000 2.465 198 A HA 0.528 4.848 4.320 0.001 0.000 0.292 198 A C -1.354 176.190 177.584 -0.067 0.000 1.041 198 A CA -0.512 51.503 52.037 -0.037 0.000 0.718 198 A CB 2.027 21.033 19.000 0.011 0.000 1.266 198 A HN -0.048 nan 8.150 nan 0.000 0.403 199 V N 3.395 123.210 119.914 -0.165 0.000 3.049 199 V HA 0.918 5.038 4.120 0.001 0.000 0.309 199 V C -1.880 174.079 176.094 -0.225 0.000 1.148 199 V CA -0.690 61.445 62.300 -0.276 0.000 0.990 199 V CB 2.407 33.962 31.823 -0.446 0.000 1.039 199 V HN 1.455 nan 8.190 nan 0.000 0.430 200 Y N 1.594 121.763 120.300 -0.218 0.000 2.562 200 Y HA 0.909 5.459 4.550 0.001 0.000 0.345 200 Y C -0.428 175.475 175.900 0.005 0.000 1.045 200 Y CA -0.583 57.472 58.100 -0.075 0.000 1.028 200 Y CB 1.672 40.077 38.460 -0.092 0.000 1.297 200 Y HN 0.623 nan 8.280 nan 0.000 0.463 201 T N -0.182 114.469 114.554 0.163 0.000 2.883 201 T HA 0.786 5.136 4.350 0.001 0.000 0.284 201 T C -0.136 174.581 174.700 0.027 0.000 1.041 201 T CA -0.674 61.418 62.100 -0.014 0.000 1.007 201 T CB 1.484 70.303 68.868 -0.080 0.000 1.220 201 T HN 1.108 nan 8.240 nan 0.000 0.552 202 G N -0.734 108.037 108.800 -0.049 0.000 2.343 202 G HA2 0.537 4.498 3.960 0.001 0.000 0.319 202 G HA3 0.537 4.498 3.960 0.001 0.000 0.319 202 G C 0.896 175.773 174.900 -0.037 0.000 1.126 202 G CA -0.309 44.771 45.100 -0.032 0.000 0.889 202 G HN 0.900 nan 8.290 nan 0.000 0.457 203 A N 1.974 124.788 122.820 -0.011 0.000 1.883 203 A HA -0.059 4.261 4.320 0.001 0.000 0.217 203 A C 1.827 179.409 177.584 -0.005 0.000 1.186 203 A CA 1.676 53.709 52.037 -0.007 0.000 0.624 203 A CB -0.460 18.552 19.000 0.021 0.000 0.822 203 A HN 0.741 nan 8.150 nan 0.000 0.444 207 L N 2.472 123.661 121.223 -0.057 0.000 2.129 207 L HA 0.110 4.451 4.340 0.001 0.000 0.212 207 L C 1.854 178.711 176.870 -0.021 0.000 1.087 207 L CA 2.658 57.469 54.840 -0.048 0.000 0.757 207 L CB -1.328 40.695 42.059 -0.061 0.000 0.896 207 L HN 0.860 nan 8.230 nan 0.000 0.434 208 G N -1.226 107.568 108.800 -0.010 0.000 2.295 208 G HA2 -0.125 3.836 3.960 0.001 0.000 0.287 208 G HA3 -0.125 3.836 3.960 0.001 0.000 0.287 208 G C 0.340 175.249 174.900 0.015 0.000 1.055 208 G CA 0.458 45.562 45.100 0.007 0.000 0.922 208 G HN 0.800 nan 8.290 nan 0.000 0.503 209 A N 0.164 122.993 122.820 0.014 0.000 2.330 209 A HA 0.985 5.306 4.320 0.001 0.000 0.329 209 A C -1.955 175.650 177.584 0.035 0.000 1.135 209 A CA -1.626 50.427 52.037 0.027 0.000 0.817 209 A CB 1.791 20.805 19.000 0.023 0.000 1.269 209 A HN 0.220 nan 8.150 nan 0.000 0.469 210 P HA 0.268 nan 4.420 nan 0.000 0.275 210 P C -2.695 174.638 177.300 0.054 0.000 1.227 210 P CA -1.066 62.065 63.100 0.052 0.000 0.781 210 P CB 0.113 31.848 31.700 0.058 0.000 0.906 211 P HA 0.145 nan 4.420 nan 0.000 0.272 211 P C 0.744 178.088 177.300 0.072 0.000 1.230 211 P CA 0.477 63.615 63.100 0.062 0.000 0.788 211 P CB 0.327 32.067 31.700 0.068 0.000 0.949 212 G N 0.574 109.422 108.800 0.080 0.000 2.260 212 G HA2 -0.121 3.839 3.960 0.001 0.000 0.179 212 G HA3 -0.121 3.839 3.960 0.001 0.000 0.179 212 G C -0.287 174.680 174.900 0.111 0.000 1.002 212 G CA -0.127 45.032 45.100 0.097 0.000 0.677 212 G HN 0.614 nan 8.290 nan 0.000 0.486 213 I N 1.476 122.102 120.570 0.094 0.000 2.619 213 I HA 0.647 4.817 4.170 0.001 0.000 0.292 213 I C -1.160 174.995 176.117 0.063 0.000 1.100 213 I CA -0.625 60.735 61.300 0.100 0.000 1.043 213 I CB 2.222 40.292 38.000 0.117 0.000 1.239 213 I HN -0.035 nan 8.210 nan 0.000 0.420 214 T N 7.888 122.467 114.554 0.043 0.000 2.864 214 T HA 0.422 4.772 4.350 0.001 0.000 0.310 214 T C -2.635 172.064 174.700 -0.002 0.000 1.040 214 T CA -1.116 60.997 62.100 0.022 0.000 0.977 214 T CB 1.419 70.287 68.868 -0.001 0.000 0.976 214 T HN 0.312 nan 8.240 nan 0.000 0.459 215 P HA 0.413 nan 4.420 nan 0.000 0.268 215 P C -0.655 176.769 177.300 0.205 0.000 1.204 215 P CA -0.196 62.934 63.100 0.050 0.000 0.768 215 P CB 0.604 32.303 31.700 -0.001 0.000 0.842 216 I N 1.398 122.049 120.570 0.135 0.000 2.802 216 I HA 0.449 4.619 4.170 0.001 0.000 0.298 216 I C -0.651 175.420 176.117 -0.077 0.000 1.176 216 I CA -0.343 60.963 61.300 0.010 0.000 1.025 216 I CB 2.272 40.219 38.000 -0.087 0.000 1.243 216 I HN 0.180 nan 8.210 nan 0.000 0.424 217 S N 5.914 121.448 115.700 -0.277 0.000 2.572 217 S HA 0.722 5.193 4.470 0.001 0.000 0.274 217 S C -1.190 173.299 174.600 -0.185 0.000 1.150 217 S CA -0.552 57.501 58.200 -0.245 0.000 0.944 217 S CB 1.109 64.077 63.200 -0.388 0.000 1.071 217 S HN 0.472 nan 8.310 nan 0.000 0.479 218 I N 1.878 122.393 120.570 -0.091 0.000 2.646 218 I HA 0.781 4.952 4.170 0.001 0.000 0.299 218 I C 0.150 176.256 176.117 -0.019 0.000 1.036 218 I CA -0.771 60.500 61.300 -0.048 0.000 1.074 218 I CB 2.179 40.168 38.000 -0.018 0.000 1.258 218 I HN 0.589 nan 8.210 nan 0.000 0.430 219 S N 3.422 119.116 115.700 -0.009 0.000 2.600 219 S HA 0.415 4.886 4.470 0.001 0.000 0.265 219 S C -1.837 172.766 174.600 0.005 0.000 1.325 219 S CA -0.838 57.362 58.200 -0.000 0.000 1.002 219 S CB 0.716 63.919 63.200 0.005 0.000 0.921 219 S HN 0.633 nan 8.310 nan 0.000 0.554 220 P HA -0.097 nan 4.420 nan 0.000 0.218 220 P C 1.412 178.702 177.300 -0.017 0.000 1.148 220 P CA 1.140 64.239 63.100 -0.001 0.000 0.822 220 P CB 0.053 31.749 31.700 -0.007 0.000 0.784 221 K N -0.074 120.307 120.400 -0.031 0.000 2.009 221 K HA -0.160 4.161 4.320 0.001 0.000 0.210 221 K C 2.023 178.616 176.600 -0.012 0.000 1.049 221 K CA 1.749 58.014 56.287 -0.037 0.000 0.929 221 K CB -0.672 31.784 32.500 -0.073 0.000 0.714 221 K HN -0.023 nan 8.250 nan 0.000 0.440 222 A N 1.320 124.141 122.820 0.002 0.000 1.933 222 A HA -0.163 4.158 4.320 0.001 0.000 0.218 222 A C 2.033 179.617 177.584 -0.001 0.000 1.175 222 A CA 1.307 53.349 52.037 0.009 0.000 0.628 222 A CB -0.597 18.412 19.000 0.014 0.000 0.814 222 A HN 0.394 nan 8.150 nan 0.000 0.444 223 L N 0.512 121.735 121.223 -0.000 0.000 2.012 223 L HA -0.188 4.153 4.340 0.001 0.000 0.210 223 L C 1.966 178.812 176.870 -0.040 0.000 1.073 223 L CA 2.892 57.726 54.840 -0.010 0.000 0.748 223 L CB -0.852 41.215 42.059 0.014 0.000 0.891 223 L HN 0.505 nan 8.230 nan 0.000 0.431 224 D N -1.300 119.079 120.400 -0.035 0.000 2.117 224 D HA -0.175 4.465 4.640 0.001 0.000 0.197 224 D C 2.135 178.416 176.300 -0.031 0.000 0.987 224 D CA 1.416 55.392 54.000 -0.040 0.000 0.829 224 D CB -0.004 40.776 40.800 -0.033 0.000 0.961 224 D HN 0.207 nan 8.370 nan 0.000 0.460 225 V N 0.668 120.571 119.914 -0.020 0.000 2.282 225 V HA -0.282 3.839 4.120 0.001 0.000 0.249 225 V C 2.531 178.614 176.094 -0.018 0.000 1.057 225 V CA 1.726 64.019 62.300 -0.012 0.000 1.032 225 V CB -0.492 31.332 31.823 0.001 0.000 0.645 225 V HN 0.344 nan 8.190 nan 0.000 0.447 226 I N -0.663 119.892 120.570 -0.024 0.000 2.202 226 I HA -0.179 3.992 4.170 0.001 0.000 0.242 226 I C 2.712 178.803 176.117 -0.043 0.000 1.091 226 I CA 1.280 62.562 61.300 -0.030 0.000 1.368 226 I CB -0.561 37.422 38.000 -0.030 0.000 1.058 226 I HN 0.213 nan 8.210 nan 0.000 0.410 227 R N 1.143 121.606 120.500 -0.062 0.000 2.127 227 R HA -0.154 4.187 4.340 0.001 0.000 0.238 227 R C 1.151 177.425 176.300 -0.044 0.000 1.134 227 R CA 1.434 57.491 56.100 -0.071 0.000 0.975 227 R CB -0.917 29.327 30.300 -0.093 0.000 0.865 227 R HN 0.532 nan 8.270 nan 0.000 0.447 228 N N 0.638 119.319 118.700 -0.032 0.000 2.270 228 N HA 0.009 4.749 4.740 0.001 0.000 0.198 228 N C -0.366 175.137 175.510 -0.012 0.000 1.117 228 N CA -0.266 52.772 53.050 -0.020 0.000 0.845 228 N CB 0.317 38.793 38.487 -0.017 0.000 0.980 228 N HN 0.209 nan 8.380 nan 0.000 0.486 229 R N 0.160 120.653 120.500 -0.012 0.000 2.679 229 R HA 0.170 4.511 4.340 0.001 0.000 0.268 229 R C 0.722 177.022 176.300 0.000 0.000 1.044 229 R CA -0.290 55.807 56.100 -0.004 0.000 1.105 229 R CB 0.764 31.062 30.300 -0.004 0.000 0.989 229 R HN -0.017 nan 8.270 nan 0.000 0.447 230 R N 0.379 120.883 120.500 0.006 0.000 2.115 230 R HA -0.033 4.307 4.340 0.001 0.000 0.226 230 R C 0.141 176.448 176.300 0.012 0.000 1.100 230 R CA 1.741 57.846 56.100 0.009 0.000 0.980 230 R CB 0.151 30.458 30.300 0.011 0.000 0.875 230 R HN 0.943 nan 8.270 nan 0.000 0.445 231 T N -2.282 112.281 114.554 0.015 0.000 2.916 231 T HA 0.458 4.809 4.350 0.001 0.000 0.292 231 T C -0.621 174.092 174.700 0.022 0.000 1.055 231 T CA -1.085 61.027 62.100 0.020 0.000 1.009 231 T CB 2.224 71.107 68.868 0.025 0.000 1.118 231 T HN -0.139 nan 8.240 nan 0.000 0.497 232 K N 1.866 122.284 120.400 0.030 0.000 2.436 232 K HA 0.324 4.645 4.320 0.001 0.000 0.275 232 K C 0.863 177.484 176.600 0.035 0.000 0.999 232 K CA -0.267 56.042 56.287 0.037 0.000 0.980 232 K CB 0.408 32.941 32.500 0.055 0.000 0.919 232 K HN 0.831 nan 8.250 nan 0.000 0.484 233 S N 1.901 117.618 115.700 0.028 0.000 2.568 233 S HA 0.027 4.498 4.470 0.001 0.000 0.282 233 S C 0.813 175.440 174.600 0.046 0.000 1.338 233 S CA -0.349 57.862 58.200 0.018 0.000 1.045 233 S CB 1.150 64.353 63.200 0.005 0.000 0.873 233 S HN 0.553 nan 8.310 nan 0.000 0.516 234 K N 0.818 121.250 120.400 0.054 0.000 2.209 234 K HA 0.072 4.392 4.320 0.001 0.000 0.204 234 K C -0.171 176.478 176.600 0.081 0.000 1.048 234 K CA 0.795 57.146 56.287 0.107 0.000 0.940 234 K CB -0.061 32.570 32.500 0.219 0.000 0.729 234 K HN 0.557 nan 8.250 nan 0.000 0.451 235 V N 1.792 121.723 119.914 0.027 0.000 2.326 235 V HA 0.096 4.217 4.120 0.001 0.000 0.281 235 V C 0.222 176.253 176.094 -0.107 0.000 1.015 235 V CA -0.636 61.576 62.300 -0.147 0.000 0.823 235 V CB 0.965 32.445 31.823 -0.572 0.000 1.009 235 V HN 0.129 nan 8.190 nan 0.000 0.436 236 F N 4.857 124.740 119.950 -0.110 0.000 2.126 236 F HA -0.237 4.291 4.527 0.002 0.000 0.299 236 F C 1.939 177.793 175.800 0.091 0.000 1.096 236 F CA 2.206 60.211 58.000 0.009 0.000 1.255 236 F CB -0.131 38.877 39.000 0.013 0.000 0.997 236 F HN 0.566 nan 8.300 nan 0.000 0.479 237 Y N 0.134 120.367 120.300 -0.112 0.000 2.193 237 Y HA -0.254 4.296 4.550 0.000 0.000 0.285 237 Y C 1.033 176.888 175.900 -0.075 0.000 1.166 237 Y CA 2.178 60.136 58.100 -0.237 0.000 1.181 237 Y CB -0.682 37.528 38.460 -0.417 0.000 0.976 237 Y HN 0.303 nan 8.280 nan 0.000 0.520 238 W N -0.363 120.946 121.300 0.016 0.000 2.506 238 W HA 0.322 4.984 4.660 0.002 0.000 0.394 238 W C -0.488 175.966 176.519 -0.109 0.000 0.920 238 W CA -1.331 55.957 57.345 -0.094 0.000 2.221 238 W CB -0.991 28.433 29.460 -0.061 0.000 1.197 238 W HN -0.209 nan 8.180 nan 0.000 0.627 239 D N 2.145 122.546 120.400 0.001 0.000 2.426 239 D HA -0.086 4.554 4.640 0.001 0.000 0.261 239 D C 0.895 177.135 176.300 -0.100 0.000 1.245 239 D CA 0.428 54.394 54.000 -0.057 0.000 0.917 239 D CB 1.110 41.811 40.800 -0.165 0.000 1.123 239 D HN 0.102 nan 8.370 nan 0.000 0.508 240 L N 4.617 125.831 121.223 -0.015 0.000 2.376 240 L HA -0.036 4.304 4.340 0.001 0.000 0.219 240 L C 2.106 179.025 176.870 0.081 0.000 1.133 240 L CA 0.784 55.629 54.840 0.008 0.000 0.816 240 L CB -0.447 41.628 42.059 0.025 0.000 0.933 240 L HN 0.568 nan 8.230 nan 0.000 0.449 241 L N -1.922 119.318 121.223 0.028 0.000 2.109 241 L HA -0.165 4.175 4.340 0.001 0.000 0.207 241 L C 2.247 179.177 176.870 0.099 0.000 1.086 241 L CA 0.927 55.803 54.840 0.059 0.000 0.760 241 L CB -0.431 41.589 42.059 -0.066 0.000 0.910 241 L HN 0.212 nan 8.230 nan 0.000 0.437 242 L N -0.795 120.359 121.223 -0.115 0.000 2.072 242 L HA -0.172 4.168 4.340 0.001 0.000 0.205 242 L C 2.515 179.167 176.870 -0.363 0.000 1.079 242 L CA 0.618 55.287 54.840 -0.285 0.000 0.752 242 L CB -0.411 41.292 42.059 -0.593 0.000 0.906 242 L HN 0.217 nan 8.230 nan 0.000 0.436 243 L N 0.429 121.407 121.223 -0.408 0.000 2.072 243 L HA 0.004 4.345 4.340 0.001 0.000 0.205 243 L C 2.374 179.310 176.870 0.109 0.000 1.079 243 L CA 1.950 56.690 54.840 -0.165 0.000 0.752 243 L CB -1.032 40.970 42.059 -0.094 0.000 0.906 243 L HN 0.121 nan 8.230 nan 0.000 0.436 244 G N -0.418 108.393 108.800 0.019 0.000 2.448 244 G HA2 -0.344 3.616 3.960 0.001 0.000 0.219 244 G HA3 -0.344 3.616 3.960 0.001 0.000 0.219 244 G C 1.520 176.229 174.900 -0.319 0.000 1.127 244 G CA 0.783 45.757 45.100 -0.210 0.000 0.766 244 G HN 0.545 nan 8.290 nan 0.000 0.552 245 N N 0.021 118.744 118.700 0.038 0.000 2.058 245 N HA -0.194 4.546 4.740 0.001 0.000 0.191 245 N C 2.020 177.563 175.510 0.055 0.000 1.037 245 N CA 1.405 54.523 53.050 0.114 0.000 0.848 245 N CB -0.407 38.209 38.487 0.217 0.000 1.021 245 N HN 0.363 nan 8.380 nan 0.000 0.422 246 Y N -0.051 120.252 120.300 0.006 0.000 2.274 246 Y HA -0.116 4.434 4.550 0.001 0.000 0.290 246 Y C 1.330 177.144 175.900 -0.143 0.000 1.145 246 Y CA 1.416 59.489 58.100 -0.045 0.000 1.203 246 Y CB -0.647 37.803 38.460 -0.016 0.000 0.984 246 Y HN 0.113 nan 8.280 nan 0.000 0.533 247 W N 0.874 122.035 121.300 -0.232 0.000 3.077 247 W HA 0.258 4.919 4.660 0.001 0.000 0.245 247 W C 1.572 177.885 176.519 -0.342 0.000 1.316 247 W CA 1.110 58.279 57.345 -0.294 0.000 1.537 247 W CB -0.488 28.875 29.460 -0.162 0.000 1.131 247 W HN 0.246 nan 8.180 nan 0.000 0.695 248 G N -0.175 108.490 108.800 -0.226 0.000 2.314 248 G HA2 -0.329 3.631 3.960 0.001 0.000 0.292 248 G HA3 -0.329 3.631 3.960 0.001 0.000 0.292 248 G C 0.492 175.269 174.900 -0.206 0.000 1.059 248 G CA 0.227 45.185 45.100 -0.236 0.000 0.982 248 G HN 0.364 nan 8.290 nan 0.000 0.505 249 C N -1.117 117.957 119.300 -0.377 0.000 2.634 249 C HA 0.404 4.865 4.460 0.001 0.000 0.268 249 C C 1.188 175.980 174.990 -0.329 0.000 1.322 249 C CA 0.127 58.870 59.018 -0.459 0.000 1.737 249 C CB -0.868 26.418 27.740 -0.757 0.000 1.976 249 C HN 0.593 nan 8.230 nan 0.000 0.547 250 Y N 0.056 120.356 120.300 -0.001 0.000 2.621 250 Y HA 0.321 4.871 4.550 0.000 0.000 0.334 250 Y C 0.162 176.057 175.900 -0.009 0.000 1.074 250 Y CA -1.175 56.922 58.100 -0.004 0.000 1.149 250 Y CB 0.533 38.992 38.460 -0.001 0.000 1.302 250 Y HN -0.075 nan 8.280 nan 0.000 0.501 251 D N 2.403 122.908 120.400 0.175 0.000 2.801 251 D HA 0.116 4.756 4.640 0.001 0.000 0.232 251 D C -0.807 175.542 176.300 0.082 0.000 1.128 251 D CA 0.400 54.452 54.000 0.087 0.000 1.003 251 D CB -0.316 40.519 40.800 0.058 0.000 1.110 251 D HN 0.591 nan 8.370 nan 0.000 0.477 252 E N 0.912 121.168 120.200 0.093 0.000 2.390 252 E HA 0.348 4.699 4.350 0.001 0.000 0.277 252 E C -2.536 174.102 176.600 0.063 0.000 0.939 252 E CA -1.826 54.626 56.400 0.087 0.000 0.769 252 E CB 2.118 31.895 29.700 0.129 0.000 1.251 252 E HN -0.025 nan 8.360 nan 0.000 0.450 253 P HA 0.100 nan 4.420 nan 0.000 0.275 253 P C -0.977 176.386 177.300 0.104 0.000 1.227 253 P CA -0.319 62.819 63.100 0.063 0.000 0.781 253 P CB 0.720 32.462 31.700 0.070 0.000 0.906 254 K N 2.951 123.414 120.400 0.105 0.000 2.416 254 K HA 0.177 4.498 4.320 0.001 0.000 0.283 254 K C 0.573 177.437 176.600 0.440 0.000 1.037 254 K CA 0.066 56.465 56.287 0.188 0.000 0.995 254 K CB 0.511 33.005 32.500 -0.010 0.000 0.938 254 K HN 0.362 nan 8.250 nan 0.000 0.475 255 R N 1.845 122.608 120.500 0.439 0.000 2.664 255 R HA 0.154 4.495 4.340 0.001 0.000 0.286 255 R C -0.725 175.974 176.300 0.666 0.000 0.967 255 R CA -1.030 55.378 56.100 0.514 0.000 0.933 255 R CB 0.799 31.290 30.300 0.318 0.000 1.146 255 R HN 0.481 nan 8.270 nan 0.000 0.468 256 Y N 3.016 123.674 120.300 0.596 0.000 2.729 256 Y HA -0.148 4.402 4.550 0.000 0.000 0.331 256 Y C 0.677 176.740 175.900 0.271 0.000 1.208 256 Y CA 1.028 59.367 58.100 0.399 0.000 1.521 256 Y CB 0.064 38.733 38.460 0.348 0.000 1.233 256 Y HN 0.606 nan 8.280 nan 0.000 0.539 257 H N 5.384 124.051 119.070 -0.671 0.000 2.317 257 H HA 0.112 4.669 4.556 0.001 0.000 0.291 257 H C -0.379 174.524 175.328 -0.708 0.000 0.999 257 H CA 0.887 56.621 56.048 -0.524 0.000 1.336 257 H CB 0.549 30.171 29.762 -0.234 0.000 1.485 257 H HN 0.796 nan 8.280 nan 0.000 0.597 258 H N -0.684 117.820 119.070 -0.943 0.000 3.003 258 H HA 0.194 4.750 4.556 0.000 0.000 0.327 258 H C -1.313 173.892 175.328 -0.205 0.000 1.353 258 H CA -0.600 55.133 56.048 -0.526 0.000 1.142 258 H CB 0.811 30.384 29.762 -0.315 0.000 1.864 258 H HN 0.003 nan 8.280 nan 0.000 0.529 259 T N 2.693 117.255 114.554 0.013 0.000 2.752 259 T HA 0.326 4.676 4.350 0.001 0.000 0.295 259 T C 1.055 175.687 174.700 -0.114 0.000 0.923 259 T CA -0.257 61.816 62.100 -0.045 0.000 1.112 259 T CB 0.068 68.990 68.868 0.090 0.000 0.884 259 T HN 0.520 nan 8.240 nan 0.000 0.525 260 V N 1.207 120.971 119.914 -0.250 0.000 3.083 260 V HA 0.758 4.879 4.120 0.001 0.000 0.306 260 V C 0.557 176.648 176.094 -0.004 0.000 1.077 260 V CA -1.342 60.910 62.300 -0.081 0.000 1.073 260 V CB 0.526 32.313 31.823 -0.061 0.000 1.081 260 V HN 0.897 nan 8.190 nan 0.000 0.474 261 A N 2.468 125.322 122.820 0.056 0.000 2.807 261 A HA 0.426 4.747 4.320 0.001 0.000 0.307 261 A C 1.482 178.991 177.584 -0.126 0.000 1.532 261 A CA 0.280 52.321 52.037 0.006 0.000 1.215 261 A CB -0.582 18.457 19.000 0.066 0.000 1.127 261 A HN 1.047 nan 8.150 nan 0.000 0.543 262 S N 2.141 117.701 115.700 -0.233 0.000 2.378 262 S HA -0.232 4.238 4.470 0.001 0.000 0.229 262 S C 2.094 176.119 174.600 -0.960 0.000 1.052 262 S CA 2.145 59.992 58.200 -0.589 0.000 1.084 262 S CB -0.347 62.601 63.200 -0.420 0.000 0.950 262 S HN 0.882 nan 8.310 nan 0.000 0.440 263 N N 1.151 119.592 118.700 -0.432 0.000 2.120 263 N HA -0.059 4.681 4.740 0.001 0.000 0.188 263 N C 1.795 177.256 175.510 -0.081 0.000 1.024 263 N CA 1.104 54.066 53.050 -0.145 0.000 0.852 263 N CB -0.457 38.057 38.487 0.045 0.000 1.003 263 N HN 0.373 nan 8.380 nan 0.000 0.424 264 L N 1.021 122.198 121.223 -0.076 0.000 2.093 264 L HA -0.047 4.294 4.340 0.001 0.000 0.208 264 L C 2.317 179.184 176.870 -0.006 0.000 1.085 264 L CA 0.667 55.507 54.840 -0.001 0.000 0.755 264 L CB -0.345 41.736 42.059 0.038 0.000 0.904 264 L HN 0.081 nan 8.230 nan 0.000 0.435 265 I N -0.660 119.848 120.570 -0.103 0.000 2.179 265 I HA -0.307 3.864 4.170 0.001 0.000 0.242 265 I C 2.384 178.513 176.117 0.020 0.000 1.088 265 I CA 1.618 62.886 61.300 -0.054 0.000 1.357 265 I CB -0.378 37.547 38.000 -0.125 0.000 1.051 265 I HN 0.113 nan 8.210 nan 0.000 0.409 266 F N 0.918 120.902 119.950 0.057 0.000 2.161 266 F HA -0.258 4.269 4.527 0.001 0.000 0.300 266 F C 2.679 178.502 175.800 0.039 0.000 1.089 266 F CA 0.715 58.739 58.000 0.039 0.000 1.282 266 F CB -0.467 38.550 39.000 0.029 0.000 1.010 266 F HN 0.060 nan 8.300 nan 0.000 0.485 267 A N 0.208 123.158 122.820 0.217 0.000 1.872 267 A HA -0.143 4.178 4.320 0.001 0.000 0.214 267 A C 2.004 179.648 177.584 0.099 0.000 1.187 267 A CA 1.200 53.320 52.037 0.138 0.000 0.614 267 A CB -0.985 18.079 19.000 0.107 0.000 0.826 267 A HN 0.315 nan 8.150 nan 0.000 0.442 268 L N 0.023 121.300 121.223 0.089 0.000 2.012 268 L HA -0.187 4.154 4.340 0.001 0.000 0.210 268 L C 2.458 179.372 176.870 0.073 0.000 1.073 268 L CA 2.315 57.197 54.840 0.069 0.000 0.748 268 L CB -0.697 41.407 42.059 0.075 0.000 0.891 268 L HN 0.406 nan 8.230 nan 0.000 0.431 269 R N -0.062 120.502 120.500 0.106 0.000 2.096 269 R HA -0.191 4.149 4.340 0.001 0.000 0.240 269 R C 2.051 178.395 176.300 0.073 0.000 1.139 269 R CA 2.002 58.163 56.100 0.101 0.000 0.952 269 R CB -0.520 29.866 30.300 0.142 0.000 0.854 269 R HN 0.513 nan 8.270 nan 0.000 0.436 270 E N -0.005 120.242 120.200 0.078 0.000 2.150 270 E HA -0.107 4.244 4.350 0.001 0.000 0.193 270 E C 1.856 178.479 176.600 0.037 0.000 0.985 270 E CA 1.127 57.558 56.400 0.053 0.000 0.814 270 E CB -0.203 29.531 29.700 0.057 0.000 0.752 270 E HN 0.429 nan 8.360 nan 0.000 0.466 271 A N 1.087 123.930 122.820 0.038 0.000 1.930 271 A HA -0.097 4.223 4.320 0.001 0.000 0.217 271 A C 2.354 179.947 177.584 0.015 0.000 1.175 271 A CA 0.846 52.896 52.037 0.021 0.000 0.627 271 A CB -0.579 18.430 19.000 0.015 0.000 0.815 271 A HN 0.150 nan 8.150 nan 0.000 0.443 272 L N -0.739 120.496 121.223 0.019 0.000 2.056 272 L HA -0.160 4.181 4.340 0.001 0.000 0.207 272 L C 3.096 179.983 176.870 0.028 0.000 1.078 272 L CA 1.016 55.869 54.840 0.021 0.000 0.749 272 L CB -0.570 41.503 42.059 0.022 0.000 0.901 272 L HN 0.410 nan 8.230 nan 0.000 0.433 273 A N -0.393 122.438 122.820 0.020 0.000 1.908 273 A HA -0.282 4.038 4.320 0.001 0.000 0.218 273 A C 2.239 179.826 177.584 0.004 0.000 1.181 273 A CA 1.774 53.813 52.037 0.004 0.000 0.627 273 A CB -0.531 18.472 19.000 0.006 0.000 0.818 273 A HN 0.487 nan 8.150 nan 0.000 0.445 274 Q N -1.132 118.675 119.800 0.012 0.000 2.096 274 Q HA -0.161 4.180 4.340 0.001 0.000 0.204 274 Q C 2.111 178.123 176.000 0.020 0.000 0.982 274 Q CA 1.707 57.516 55.803 0.012 0.000 0.850 274 Q CB -0.330 28.415 28.738 0.011 0.000 0.901 274 Q HN 0.838 nan 8.270 nan 0.000 0.422 275 I N -0.346 120.245 120.570 0.035 0.000 2.406 275 I HA -0.116 4.055 4.170 0.001 0.000 0.249 275 I C 2.064 178.256 176.117 0.126 0.000 1.122 275 I CA 1.071 62.410 61.300 0.066 0.000 1.431 275 I CB -0.109 37.921 38.000 0.051 0.000 1.087 275 I HN 0.079 nan 8.210 nan 0.000 0.424 276 A N 0.566 123.438 122.820 0.086 0.000 1.908 276 A HA -0.269 4.052 4.320 0.001 0.000 0.218 276 A C 2.186 179.732 177.584 -0.063 0.000 1.181 276 A CA 2.222 54.223 52.037 -0.059 0.000 0.627 276 A CB -0.857 18.045 19.000 -0.163 0.000 0.818 276 A HN 0.611 nan 8.150 nan 0.000 0.445 277 E N -0.982 119.201 120.200 -0.028 0.000 2.110 277 E HA -0.193 4.157 4.350 0.001 0.000 0.193 277 E C 2.054 178.652 176.600 -0.003 0.000 0.988 277 E CA 1.326 57.712 56.400 -0.023 0.000 0.804 277 E CB -0.056 29.635 29.700 -0.015 0.000 0.745 277 E HN 0.841 nan 8.360 nan 0.000 0.458 278 E N -0.090 120.121 120.200 0.017 0.000 2.170 278 E HA 0.023 4.373 4.350 0.001 0.000 0.191 278 E C 0.295 176.922 176.600 0.045 0.000 0.981 278 E CA 0.643 57.058 56.400 0.025 0.000 0.830 278 E CB 0.343 30.056 29.700 0.023 0.000 0.775 278 E HN 0.175 nan 8.360 nan 0.000 0.470 279 G N 0.415 109.267 108.800 0.086 0.000 2.895 279 G HA2 -0.227 3.734 3.960 0.001 0.000 0.686 279 G HA3 -0.227 3.734 3.960 0.001 0.000 0.686 279 G C 0.277 175.261 174.900 0.140 0.000 1.108 279 G CA -0.144 45.051 45.100 0.158 0.000 0.761 279 G HN 0.203 nan 8.290 nan 0.000 0.611 280 L N 0.675 122.003 121.223 0.175 0.000 1.976 280 L HA -0.218 4.122 4.340 0.001 0.000 0.223 280 L C 2.882 179.748 176.870 -0.006 0.000 1.081 280 L CA 2.828 57.658 54.840 -0.017 0.000 0.784 280 L CB -0.323 41.608 42.059 -0.215 0.000 0.896 280 L HN 0.979 nan 8.230 nan 0.000 0.438 281 E N 0.029 120.243 120.200 0.023 0.000 2.086 281 E HA -0.280 4.070 4.350 0.001 0.000 0.200 281 E C 1.913 178.528 176.600 0.024 0.000 1.012 281 E CA 1.844 58.261 56.400 0.028 0.000 0.812 281 E CB -0.012 29.718 29.700 0.049 0.000 0.743 281 E HN 0.466 nan 8.360 nan 0.000 0.453 282 N N 0.154 118.872 118.700 0.029 0.000 2.166 282 N HA -0.155 4.586 4.740 0.001 0.000 0.186 282 N C 1.865 177.381 175.510 0.010 0.000 1.019 282 N CA 1.102 54.164 53.050 0.021 0.000 0.856 282 N CB -0.160 38.341 38.487 0.024 0.000 0.993 282 N HN 0.383 nan 8.380 nan 0.000 0.426 283 Q N 0.659 120.464 119.800 0.007 0.000 2.049 283 Q HA 0.015 4.355 4.340 0.001 0.000 0.198 283 Q C 2.311 178.303 176.000 -0.014 0.000 0.971 283 Q CA 0.734 56.534 55.803 -0.006 0.000 0.833 283 Q CB -0.100 28.632 28.738 -0.010 0.000 0.896 283 Q HN 0.388 nan 8.270 nan 0.000 0.434 284 I N 1.079 121.639 120.570 -0.016 0.000 2.151 284 I HA -0.332 3.838 4.170 0.001 0.000 0.243 284 I C 2.273 178.388 176.117 -0.003 0.000 1.080 284 I CA 1.454 62.747 61.300 -0.012 0.000 1.339 284 I CB -0.232 37.762 38.000 -0.009 0.000 1.039 284 I HN 0.137 nan 8.210 nan 0.000 0.409 285 K N 0.166 120.568 120.400 0.003 0.000 2.097 285 K HA -0.198 4.123 4.320 0.001 0.000 0.206 285 K C 2.272 178.867 176.600 -0.009 0.000 1.049 285 K CA 1.157 57.447 56.287 0.004 0.000 0.933 285 K CB -0.205 32.301 32.500 0.011 0.000 0.717 285 K HN 0.222 nan 8.250 nan 0.000 0.442 286 R N 1.245 121.738 120.500 -0.011 0.000 2.092 286 R HA -0.071 4.269 4.340 0.001 0.000 0.231 286 R C 2.115 178.395 176.300 -0.034 0.000 1.119 286 R CA 1.244 57.333 56.100 -0.019 0.000 0.970 286 R CB 0.110 30.401 30.300 -0.014 0.000 0.864 286 R HN 0.090 nan 8.270 nan 0.000 0.440 287 R N -0.043 120.436 120.500 -0.035 0.000 2.090 287 R HA -0.031 4.309 4.340 0.001 0.000 0.228 287 R C 2.326 178.585 176.300 -0.067 0.000 1.110 287 R CA 1.323 57.392 56.100 -0.051 0.000 0.973 287 R CB -0.287 29.987 30.300 -0.043 0.000 0.869 287 R HN 0.281 nan 8.270 nan 0.000 0.440 288 I N 1.359 121.901 120.570 -0.046 0.000 2.226 288 I HA -0.267 3.904 4.170 0.001 0.000 0.245 288 I C 2.003 178.072 176.117 -0.080 0.000 1.100 288 I CA 1.537 62.808 61.300 -0.049 0.000 1.374 288 I CB -0.232 37.764 38.000 -0.008 0.000 1.057 288 I HN 0.202 nan 8.210 nan 0.000 0.413 289 E N 0.085 120.247 120.200 -0.062 0.000 2.051 289 E HA -0.228 4.123 4.350 0.001 0.000 0.192 289 E C 2.336 178.872 176.600 -0.108 0.000 0.991 289 E CA 1.678 58.037 56.400 -0.067 0.000 0.799 289 E CB -0.404 29.271 29.700 -0.041 0.000 0.748 289 E HN 0.513 nan 8.360 nan 0.000 0.449 290 C N 1.096 120.332 119.300 -0.108 0.000 2.413 290 C HA -0.167 4.293 4.460 0.001 0.000 0.276 290 C C 3.003 177.858 174.990 -0.224 0.000 1.248 290 C CA 0.931 59.872 59.018 -0.128 0.000 1.742 290 C CB -1.120 26.560 27.740 -0.100 0.000 2.017 290 C HN 0.568 nan 8.230 nan 0.000 0.481 291 A N -0.141 122.496 122.820 -0.305 0.000 1.865 291 A HA -0.233 4.088 4.320 0.001 0.000 0.217 291 A C 2.138 179.163 177.584 -0.932 0.000 1.191 291 A CA 1.790 53.455 52.037 -0.620 0.000 0.623 291 A CB -0.654 18.016 19.000 -0.550 0.000 0.826 291 A HN 0.632 nan 8.150 nan 0.000 0.444 292 Q N -0.128 119.352 119.800 -0.533 0.000 2.062 292 Q HA -0.211 4.129 4.340 0.001 0.000 0.209 292 Q C 2.162 178.058 176.000 -0.173 0.000 0.996 292 Q CA 1.910 57.547 55.803 -0.276 0.000 0.859 292 Q CB -0.667 28.016 28.738 -0.093 0.000 0.920 292 Q HN 0.796 nan 8.270 nan 0.000 0.415 293 I N 0.530 121.012 120.570 -0.148 0.000 2.208 293 I HA -0.289 3.881 4.170 0.001 0.000 0.245 293 I C 2.466 178.539 176.117 -0.072 0.000 1.097 293 I CA 0.855 62.108 61.300 -0.077 0.000 1.363 293 I CB -0.386 37.580 38.000 -0.058 0.000 1.051 293 I HN 0.188 nan 8.210 nan 0.000 0.413 294 L N 0.264 121.394 121.223 -0.154 0.000 1.994 294 L HA -0.274 4.066 4.340 0.001 0.000 0.208 294 L C 2.718 179.611 176.870 0.037 0.000 1.071 294 L CA 2.060 56.837 54.840 -0.105 0.000 0.745 294 L CB -0.544 41.393 42.059 -0.204 0.000 0.892 294 L HN 0.262 nan 8.230 nan 0.000 0.431 295 Y N 0.306 120.594 120.300 -0.020 0.000 2.114 295 Y HA -0.332 4.218 4.550 0.001 0.000 0.282 295 Y C 2.647 178.550 175.900 0.004 0.000 1.165 295 Y CA 1.247 59.343 58.100 -0.008 0.000 1.148 295 Y CB -0.277 38.180 38.460 -0.005 0.000 0.972 295 Y HN 0.328 nan 8.280 nan 0.000 0.504 296 E N 0.035 120.329 120.200 0.156 0.000 2.038 296 E HA -0.187 4.163 4.350 0.001 0.000 0.195 296 E C 2.524 179.173 176.600 0.081 0.000 1.000 296 E CA 1.010 57.468 56.400 0.096 0.000 0.803 296 E CB -0.470 29.265 29.700 0.059 0.000 0.750 296 E HN 0.535 nan 8.360 nan 0.000 0.448 297 G N 0.866 109.706 108.800 0.065 0.000 2.422 297 G HA2 -0.224 3.737 3.960 0.001 0.000 0.218 297 G HA3 -0.224 3.737 3.960 0.001 0.000 0.218 297 G C 1.548 176.494 174.900 0.077 0.000 1.146 297 G CA 0.459 45.595 45.100 0.059 0.000 0.769 297 G HN 0.077 nan 8.290 nan 0.000 0.547 298 L N 0.613 121.884 121.223 0.081 0.000 2.072 298 L HA 0.070 4.410 4.340 0.001 0.000 0.205 298 L C 3.190 180.127 176.870 0.112 0.000 1.079 298 L CA 0.816 55.705 54.840 0.082 0.000 0.752 298 L CB -0.713 41.386 42.059 0.067 0.000 0.906 298 L HN 0.311 nan 8.230 nan 0.000 0.436 299 G N 0.457 109.318 108.800 0.103 0.000 2.491 299 G HA2 -0.294 3.666 3.960 0.001 0.000 0.218 299 G HA3 -0.294 3.666 3.960 0.001 0.000 0.218 299 G C 1.621 176.585 174.900 0.107 0.000 1.180 299 G CA 0.770 45.926 45.100 0.093 0.000 0.774 299 G HN 0.309 nan 8.290 nan 0.000 0.562 300 K N -0.393 120.070 120.400 0.105 0.000 2.281 300 K HA 0.074 4.394 4.320 0.001 0.000 0.203 300 K C 2.406 179.112 176.600 0.177 0.000 1.046 300 K CA 0.902 57.256 56.287 0.112 0.000 0.938 300 K CB -0.141 32.408 32.500 0.083 0.000 0.737 300 K HN 0.343 nan 8.250 nan 0.000 0.458 301 M N -0.892 118.846 119.600 0.230 0.000 2.509 301 M HA 0.068 4.548 4.480 0.001 0.000 0.250 301 M C 0.726 177.269 176.300 0.405 0.000 1.132 301 M CA 0.547 56.102 55.300 0.424 0.000 1.080 301 M CB 0.784 33.651 32.600 0.446 0.000 1.408 301 M HN 0.390 nan 8.290 nan 0.000 0.484 302 G N 1.835 110.784 108.800 0.248 0.000 2.132 302 G HA2 -0.213 3.748 3.960 0.001 0.000 0.228 302 G HA3 -0.213 3.748 3.960 0.001 0.000 0.228 302 G C -0.243 174.783 174.900 0.209 0.000 1.000 302 G CA -0.321 44.895 45.100 0.192 0.000 0.693 302 G HN 0.372 nan 8.290 nan 0.000 0.515 303 L N 0.716 122.058 121.223 0.199 0.000 2.309 303 L HA 0.524 4.865 4.340 0.001 0.000 0.282 303 L C -0.041 176.901 176.870 0.120 0.000 1.036 303 L CA -1.047 53.901 54.840 0.181 0.000 0.806 303 L CB 1.181 43.347 42.059 0.179 0.000 1.220 303 L HN 0.031 nan 8.230 nan 0.000 0.429 304 D N 2.775 123.243 120.400 0.114 0.000 2.253 304 D HA 0.497 5.138 4.640 0.001 0.000 0.249 304 D C -0.377 175.967 176.300 0.074 0.000 1.049 304 D CA -0.158 53.884 54.000 0.069 0.000 0.929 304 D CB 2.562 43.393 40.800 0.051 0.000 1.176 304 D HN 0.238 nan 8.370 nan 0.000 0.437 305 I N 1.766 122.354 120.570 0.029 0.000 2.404 305 I HA 0.085 4.255 4.170 0.001 0.000 0.293 305 I C 1.107 177.255 176.117 0.052 0.000 0.992 305 I CA -0.778 60.544 61.300 0.037 0.000 1.149 305 I CB 1.762 39.725 38.000 -0.062 0.000 1.315 305 I HN 0.363 nan 8.210 nan 0.000 0.446 306 F N 6.561 126.500 119.950 -0.018 0.000 2.091 306 F HA -0.116 4.411 4.527 0.001 0.000 0.299 306 F C 1.041 176.824 175.800 -0.028 0.000 1.103 306 F CA 1.400 59.388 58.000 -0.021 0.000 1.228 306 F CB 0.279 39.270 39.000 -0.015 0.000 0.984 306 F HN 0.110 nan 8.300 nan 0.000 0.477 307 V N 2.374 122.346 119.914 0.096 0.000 2.372 307 V HA 0.038 4.158 4.120 0.001 0.000 0.261 307 V C 0.993 177.038 176.094 -0.081 0.000 1.055 307 V CA -0.111 62.180 62.300 -0.016 0.000 0.930 307 V CB 0.903 32.782 31.823 0.093 0.000 1.031 307 V HN 0.240 nan 8.190 nan 0.000 0.479 308 K N 3.366 123.695 120.400 -0.118 0.000 2.044 308 K HA -0.049 4.271 4.320 0.001 0.000 0.204 308 K C 0.998 177.527 176.600 -0.117 0.000 1.049 308 K CA 0.809 57.025 56.287 -0.118 0.000 0.945 308 K CB 0.104 32.533 32.500 -0.118 0.000 0.724 308 K HN 0.700 nan 8.250 nan 0.000 0.440 309 D N 0.437 120.781 120.400 -0.093 0.000 2.339 309 D HA 0.045 4.685 4.640 0.001 0.000 0.256 309 D C -1.953 174.247 176.300 -0.167 0.000 1.214 309 D CA -2.183 51.730 54.000 -0.146 0.000 0.877 309 D CB 1.476 42.153 40.800 -0.206 0.000 1.111 309 D HN -0.018 nan 8.370 nan 0.000 0.478 310 P HA -0.119 nan 4.420 nan 0.000 0.219 310 P C 1.281 178.521 177.300 -0.101 0.000 1.146 310 P CA 0.826 63.835 63.100 -0.152 0.000 0.808 310 P CB 0.194 31.826 31.700 -0.113 0.000 0.779 311 R N -1.040 119.350 120.500 -0.184 0.000 2.200 311 R HA -0.150 4.191 4.340 0.001 0.000 0.234 311 R C 1.438 177.672 176.300 -0.110 0.000 1.127 311 R CA 1.397 57.380 56.100 -0.196 0.000 0.989 311 R CB -0.414 29.676 30.300 -0.349 0.000 0.869 311 R HN 0.387 nan 8.270 nan 0.000 0.459 312 H N -1.466 117.595 119.070 -0.016 0.000 2.586 312 H HA 0.219 4.775 4.556 0.001 0.000 0.273 312 H C -0.107 175.223 175.328 0.004 0.000 0.997 312 H CA -0.551 55.490 56.048 -0.012 0.000 1.177 312 H CB 0.575 30.318 29.762 -0.031 0.000 1.471 312 H HN -0.079 nan 8.280 nan 0.000 0.538 313 R N 1.516 122.080 120.500 0.108 0.000 2.390 313 R HA 0.156 4.496 4.340 0.001 0.000 0.291 313 R C -0.760 175.602 176.300 0.104 0.000 1.070 313 R CA -0.762 55.396 56.100 0.097 0.000 1.014 313 R CB 1.257 31.597 30.300 0.066 0.000 1.007 313 R HN 0.035 nan 8.270 nan 0.000 0.466 314 L N 6.216 127.491 121.223 0.087 0.000 2.315 314 L HA 0.249 4.590 4.340 0.001 0.000 0.283 314 L C -1.958 174.962 176.870 0.082 0.000 1.089 314 L CA -1.791 53.079 54.840 0.050 0.000 0.833 314 L CB 1.179 43.246 42.059 0.013 0.000 1.170 314 L HN 0.471 nan 8.230 nan 0.000 0.442 315 P HA -0.141 nan 4.420 nan 0.000 0.218 315 P C 1.259 178.557 177.300 -0.002 0.000 1.148 315 P CA 1.717 64.843 63.100 0.044 0.000 0.822 315 P CB -0.071 31.631 31.700 0.002 0.000 0.784 316 T N -4.346 110.202 114.554 -0.010 0.000 3.055 316 T HA 0.083 4.434 4.350 0.001 0.000 0.265 316 T C 0.608 175.298 174.700 -0.016 0.000 1.111 316 T CA 0.332 62.415 62.100 -0.028 0.000 1.118 316 T CB -0.540 68.306 68.868 -0.036 0.000 0.909 316 T HN -0.156 nan 8.240 nan 0.000 0.501 317 V N 1.367 121.289 119.914 0.014 0.000 2.623 317 V HA 0.534 4.654 4.120 0.001 0.000 0.304 317 V C -0.692 175.438 176.094 0.060 0.000 1.054 317 V CA -0.816 61.501 62.300 0.028 0.000 0.882 317 V CB 1.997 33.846 31.823 0.045 0.000 1.002 317 V HN 0.292 nan 8.190 nan 0.000 0.424 318 T N 2.999 117.584 114.554 0.053 0.000 2.841 318 T HA 0.571 4.921 4.350 0.001 0.000 0.285 318 T C 0.317 175.063 174.700 0.076 0.000 0.991 318 T CA -0.449 61.708 62.100 0.096 0.000 0.966 318 T CB 1.720 70.671 68.868 0.139 0.000 0.962 318 T HN 0.961 nan 8.240 nan 0.000 0.438 319 G N 2.710 111.570 108.800 0.099 0.000 2.338 319 G HA2 0.544 4.504 3.960 0.001 0.000 0.295 319 G HA3 0.544 4.504 3.960 0.001 0.000 0.295 319 G C -0.181 174.811 174.900 0.153 0.000 1.132 319 G CA -0.538 44.623 45.100 0.102 0.000 0.922 319 G HN 0.781 nan 8.290 nan 0.000 0.427 320 I N 4.161 124.841 120.570 0.184 0.000 2.291 320 I HA 0.120 4.290 4.170 0.001 0.000 0.290 320 I C 0.321 176.627 176.117 0.316 0.000 1.050 320 I CA -0.742 60.706 61.300 0.247 0.000 1.245 320 I CB 1.124 39.267 38.000 0.239 0.000 1.405 320 I HN 0.162 nan 8.210 nan 0.000 0.478 321 M N 6.481 126.211 119.600 0.217 0.000 2.252 321 M HA 0.165 4.645 4.480 0.001 0.000 0.348 321 M C 0.091 176.476 176.300 0.142 0.000 1.334 321 M CA 0.074 55.455 55.300 0.136 0.000 1.071 321 M CB -0.107 32.561 32.600 0.114 0.000 1.763 321 M HN 0.336 nan 8.290 nan 0.000 0.452 322 I N 5.373 125.886 120.570 -0.095 0.000 2.598 322 I HA 0.140 4.310 4.170 0.001 0.000 0.284 322 I C -1.866 174.246 176.117 -0.008 0.000 1.140 322 I CA -1.624 59.556 61.300 -0.200 0.000 1.420 322 I CB -0.311 37.458 38.000 -0.386 0.000 1.387 322 I HN 0.332 nan 8.210 nan 0.000 0.553 323 P HA 0.227 nan 4.420 nan 0.000 0.274 323 P C 0.691 178.017 177.300 0.043 0.000 1.237 323 P CA -0.528 62.627 63.100 0.093 0.000 0.793 323 P CB 0.964 32.772 31.700 0.180 0.000 0.977 324 K N 1.241 121.674 120.400 0.056 0.000 2.015 324 K HA -0.181 4.140 4.320 0.001 0.000 0.220 324 K C 2.033 178.652 176.600 0.032 0.000 1.055 324 K CA 2.289 58.597 56.287 0.035 0.000 0.951 324 K CB -1.102 31.420 32.500 0.037 0.000 0.725 324 K HN 0.688 nan 8.250 nan 0.000 0.449 325 G N 0.238 109.070 108.800 0.052 0.000 2.708 325 G HA2 0.013 3.973 3.960 0.001 0.000 0.210 325 G HA3 0.013 3.973 3.960 0.001 0.000 0.210 325 G C 0.042 174.972 174.900 0.050 0.000 1.141 325 G CA 0.018 45.157 45.100 0.065 0.000 0.788 325 G HN 0.035 nan 8.290 nan 0.000 0.531 326 V N 0.763 120.649 119.914 -0.046 0.000 2.427 326 V HA 0.245 4.365 4.120 0.001 0.000 0.286 326 V C -0.664 175.382 176.094 -0.080 0.000 1.034 326 V CA -1.098 61.047 62.300 -0.258 0.000 0.893 326 V CB 1.927 33.567 31.823 -0.306 0.000 0.982 326 V HN 0.126 nan 8.190 nan 0.000 0.452 327 D N 4.925 125.342 120.400 0.028 0.000 2.411 327 D HA 0.079 4.720 4.640 0.001 0.000 0.225 327 D C 1.127 177.520 176.300 0.156 0.000 1.156 327 D CA -0.682 53.402 54.000 0.139 0.000 0.874 327 D CB 0.554 41.496 40.800 0.237 0.000 1.034 327 D HN 0.688 nan 8.370 nan 0.000 0.502 328 W N 3.333 124.638 121.300 0.008 0.000 2.342 328 W HA -0.185 4.476 4.660 0.001 0.000 0.297 328 W C 1.022 177.748 176.519 0.344 0.000 1.213 328 W CA 0.091 57.442 57.345 0.010 0.000 1.251 328 W CB -1.066 28.041 29.460 -0.587 0.000 1.136 328 W HN 0.474 nan 8.180 nan 0.000 0.526 329 W N 2.510 123.304 121.300 -0.844 0.000 2.436 329 W HA -0.038 4.622 4.660 0.001 0.000 0.284 329 W C 2.744 179.133 176.519 -0.217 0.000 1.225 329 W CA 2.511 59.345 57.345 -0.851 0.000 1.271 329 W CB -0.346 28.388 29.460 -1.211 0.000 1.114 329 W HN -0.187 nan 8.180 nan 0.000 0.559 330 K N -0.233 120.152 120.400 -0.025 0.000 2.057 330 K HA -0.172 4.149 4.320 0.001 0.000 0.206 330 K C 1.722 178.300 176.600 -0.036 0.000 1.050 330 K CA 1.801 58.067 56.287 -0.036 0.000 0.935 330 K CB -0.369 32.184 32.500 0.089 0.000 0.715 330 K HN 0.033 nan 8.250 nan 0.000 0.439 331 V N 0.887 120.858 119.914 0.096 0.000 2.255 331 V HA -0.265 3.855 4.120 0.001 0.000 0.247 331 V C 2.207 178.288 176.094 -0.021 0.000 1.051 331 V CA 2.165 64.481 62.300 0.027 0.000 1.018 331 V CB -0.605 31.258 31.823 0.067 0.000 0.641 331 V HN 0.324 nan 8.190 nan 0.000 0.445 332 S N -0.647 115.101 115.700 0.080 0.000 2.365 332 S HA -0.273 4.197 4.470 0.001 0.000 0.225 332 S C 2.024 176.521 174.600 -0.172 0.000 1.039 332 S CA 1.490 59.714 58.200 0.041 0.000 1.033 332 S CB -0.394 62.926 63.200 0.201 0.000 0.887 332 S HN 0.543 nan 8.310 nan 0.000 0.447 333 Q N 0.019 119.537 119.800 -0.471 0.000 2.079 333 Q HA -0.023 4.318 4.340 0.001 0.000 0.200 333 Q C 1.868 177.720 176.000 -0.247 0.000 0.974 333 Q CA 1.300 56.797 55.803 -0.510 0.000 0.840 333 Q CB -0.730 27.456 28.738 -0.920 0.000 0.898 333 Q HN 0.712 nan 8.270 nan 0.000 0.430 334 Y N 1.214 121.353 120.300 -0.268 0.000 2.128 334 Y HA -0.290 4.260 4.550 0.001 0.000 0.284 334 Y C 2.228 178.042 175.900 -0.142 0.000 1.154 334 Y CA 1.858 59.843 58.100 -0.191 0.000 1.149 334 Y CB -0.295 38.072 38.460 -0.156 0.000 0.976 334 Y HN 0.142 nan 8.280 nan 0.000 0.505 335 A N -0.223 122.653 122.820 0.094 0.000 1.908 335 A HA -0.284 4.037 4.320 0.001 0.000 0.218 335 A C 2.222 179.846 177.584 0.067 0.000 1.181 335 A CA 2.229 54.355 52.037 0.148 0.000 0.627 335 A CB -0.853 18.165 19.000 0.031 0.000 0.818 335 A HN 0.600 nan 8.150 nan 0.000 0.445 336 M N 0.241 119.826 119.600 -0.025 0.000 2.123 336 M HA -0.034 4.447 4.480 0.001 0.000 0.263 336 M C 1.377 177.611 176.300 -0.109 0.000 1.069 336 M CA 1.765 57.051 55.300 -0.023 0.000 1.133 336 M CB -0.723 31.865 32.600 -0.020 0.000 1.356 336 M HN 0.372 nan 8.290 nan 0.000 0.415 337 N N 0.486 119.057 118.700 -0.215 0.000 2.289 337 N HA -0.094 4.647 4.740 0.001 0.000 0.184 337 N C 1.080 176.352 175.510 -0.397 0.000 1.016 337 N CA 1.238 54.121 53.050 -0.278 0.000 0.872 337 N CB -0.454 37.844 38.487 -0.315 0.000 0.973 337 N HN 0.559 nan 8.380 nan 0.000 0.433 338 N N -0.992 117.348 118.700 -0.600 0.000 2.407 338 N HA 0.125 4.865 4.740 0.001 0.000 0.182 338 N C 0.310 175.254 175.510 -0.943 0.000 1.079 338 N CA 0.327 52.818 53.050 -0.932 0.000 0.882 338 N CB 0.359 37.951 38.487 -1.493 0.000 1.106 338 N HN 0.209 nan 8.380 nan 0.000 0.461 339 F N 0.235 120.162 119.950 -0.040 0.000 2.798 339 F HA 0.292 4.819 4.527 0.001 0.000 0.328 339 F C 0.760 176.662 175.800 0.170 0.000 1.098 339 F CA -0.259 57.816 58.000 0.124 0.000 1.172 339 F CB 0.435 39.481 39.000 0.076 0.000 1.072 339 F HN -0.299 nan 8.300 nan 0.000 0.555 340 S N 1.461 117.260 115.700 0.164 0.000 3.533 340 S HA -0.223 4.247 4.470 0.001 0.000 0.347 340 S C -0.204 174.520 174.600 0.206 0.000 1.101 340 S CA 0.191 58.476 58.200 0.142 0.000 1.009 340 S CB -1.617 61.655 63.200 0.121 0.000 0.916 340 S HN 0.294 nan 8.310 nan 0.000 0.496 341 L N 1.878 123.242 121.223 0.235 0.000 2.275 341 L HA 0.647 4.988 4.340 0.001 0.000 0.288 341 L C 0.047 177.020 176.870 0.171 0.000 1.046 341 L CA -0.405 54.572 54.840 0.228 0.000 0.805 341 L CB 1.293 43.454 42.059 0.170 0.000 1.193 341 L HN 0.183 nan 8.230 nan 0.000 0.426 342 E N 4.071 124.398 120.200 0.212 0.000 2.052 342 E HA 0.310 4.661 4.350 0.001 0.000 0.283 342 E C -1.458 175.318 176.600 0.293 0.000 1.071 342 E CA -0.195 56.339 56.400 0.223 0.000 0.851 342 E CB 0.507 30.334 29.700 0.211 0.000 1.066 342 E HN 0.403 nan 8.360 nan 0.000 0.396 343 V N 5.721 125.795 119.914 0.267 0.000 2.277 343 V HA 0.204 4.325 4.120 0.001 0.000 0.269 343 V C 0.036 176.395 176.094 0.441 0.000 1.036 343 V CA -0.857 61.648 62.300 0.342 0.000 0.821 343 V CB 0.682 32.620 31.823 0.191 0.000 1.052 343 V HN 0.661 nan 8.190 nan 0.000 0.462 344 Q N 3.316 123.356 119.800 0.400 0.000 2.340 344 Q HA 0.571 4.912 4.340 0.001 0.000 0.249 344 Q C 0.637 176.830 176.000 0.323 0.000 0.957 344 Q CA 0.556 56.567 55.803 0.346 0.000 0.882 344 Q CB 1.496 30.376 28.738 0.237 0.000 1.235 344 Q HN 0.779 nan 8.270 nan 0.000 0.439 345 G N 1.059 109.917 108.800 0.096 0.000 2.508 345 G HA2 0.502 4.462 3.960 0.001 0.000 0.278 345 G HA3 0.502 4.462 3.960 0.001 0.000 0.278 345 G C -0.161 174.524 174.900 -0.358 0.000 1.389 345 G CA -0.398 44.365 45.100 -0.562 0.000 1.050 345 G HN 0.767 nan 8.290 nan 0.000 0.522 346 G N -1.828 106.640 108.800 -0.552 0.000 2.547 346 G HA2 0.546 4.506 3.960 0.001 0.000 0.291 346 G HA3 0.546 4.506 3.960 0.001 0.000 0.291 346 G C -1.101 173.749 174.900 -0.085 0.000 1.211 346 G CA -0.567 44.345 45.100 -0.313 0.000 0.950 346 G HN 0.581 nan 8.290 nan 0.000 0.504 347 L N -0.250 120.936 121.223 -0.061 0.000 2.505 347 L HA 0.508 4.849 4.340 0.001 0.000 0.259 347 L C 1.069 177.871 176.870 -0.114 0.000 0.952 347 L CA 0.397 55.219 54.840 -0.030 0.000 0.840 347 L CB 1.563 43.583 42.059 -0.065 0.000 1.358 347 L HN 1.161 nan 8.230 nan 0.000 0.409 348 G N 4.904 113.625 108.800 -0.132 0.000 2.660 348 G HA2 -0.322 3.638 3.960 0.001 0.000 0.321 348 G HA3 -0.322 3.638 3.960 0.001 0.000 0.321 348 G C -1.701 173.138 174.900 -0.103 0.000 1.246 348 G CA 0.530 45.532 45.100 -0.164 0.000 1.000 348 G HN 0.520 nan 8.290 nan 0.000 0.550 349 P HA -0.048 nan 4.420 nan 0.000 0.218 349 P C 1.815 178.970 177.300 -0.241 0.000 1.146 349 P CA 3.046 66.072 63.100 -0.123 0.000 0.820 349 P CB -0.342 31.275 31.700 -0.139 0.000 0.778 350 T N -6.293 108.043 114.554 -0.363 0.000 3.054 350 T HA 0.145 4.495 4.350 0.001 0.000 0.255 350 T C 0.260 174.813 174.700 -0.246 0.000 1.035 350 T CA -0.553 61.298 62.100 -0.414 0.000 0.941 350 T CB -0.996 67.552 68.868 -0.534 0.000 1.026 350 T HN -0.135 nan 8.240 nan 0.000 0.533 351 F N 3.250 123.047 119.950 -0.254 0.000 2.590 351 F HA 0.420 4.948 4.527 0.001 0.000 0.389 351 F C 1.510 177.195 175.800 -0.192 0.000 1.049 351 F CA 0.751 58.618 58.000 -0.221 0.000 1.199 351 F CB -0.281 38.629 39.000 -0.151 0.000 1.058 351 F HN 0.407 nan 8.300 nan 0.000 0.556 352 G N 4.721 112.903 108.800 -1.030 0.000 2.189 352 G HA2 -0.389 3.572 3.960 0.001 0.000 0.267 352 G HA3 -0.389 3.572 3.960 0.001 0.000 0.267 352 G C 1.184 175.833 174.900 -0.417 0.000 0.975 352 G CA 0.794 45.468 45.100 -0.710 0.000 0.644 352 G HN 0.668 nan 8.290 nan 0.000 0.537 353 K N -0.302 119.881 120.400 -0.361 0.000 2.313 353 K HA 0.595 4.915 4.320 0.001 0.000 0.197 353 K C 0.938 177.388 176.600 -0.249 0.000 1.061 353 K CA 0.939 57.101 56.287 -0.207 0.000 0.980 353 K CB 0.756 33.227 32.500 -0.049 0.000 0.888 353 K HN 0.740 nan 8.250 nan 0.000 0.502 354 A N 0.350 122.952 122.820 -0.362 0.000 2.572 354 A HA 0.471 4.791 4.320 0.001 0.000 0.295 354 A C -1.465 175.895 177.584 -0.374 0.000 1.072 354 A CA -0.835 51.040 52.037 -0.271 0.000 0.691 354 A CB 0.715 19.669 19.000 -0.078 0.000 1.291 354 A HN 0.093 nan 8.150 nan 0.000 0.404 355 W N 0.664 121.910 121.300 -0.090 0.000 2.129 355 W HA 0.504 5.165 4.660 0.001 0.000 0.349 355 W C 0.274 176.764 176.519 -0.047 0.000 1.279 355 W CA -0.171 57.145 57.345 -0.049 0.000 1.306 355 W CB 0.731 30.282 29.460 0.151 0.000 1.140 355 W HN 0.617 nan 8.180 nan 0.000 0.613 356 R N 0.816 121.454 120.500 0.229 0.000 2.476 356 R HA 0.436 4.777 4.340 0.001 0.000 0.305 356 R C -1.061 175.305 176.300 0.110 0.000 0.965 356 R CA -0.713 55.458 56.100 0.118 0.000 0.867 356 R CB 1.961 32.296 30.300 0.059 0.000 1.176 356 R HN 0.078 nan 8.270 nan 0.000 0.447 357 V N 1.866 121.785 119.914 0.008 0.000 2.394 357 V HA 0.565 4.685 4.120 0.001 0.000 0.282 357 V C 0.666 176.689 176.094 -0.119 0.000 1.031 357 V CA -0.851 61.355 62.300 -0.157 0.000 0.881 357 V CB 1.639 33.201 31.823 -0.435 0.000 0.982 357 V HN 0.910 nan 8.190 nan 0.000 0.451 358 G N 3.697 112.434 108.800 -0.105 0.000 2.389 358 G HA2 0.719 4.679 3.960 0.001 0.000 0.328 358 G HA3 0.719 4.679 3.960 0.001 0.000 0.328 358 G C -0.779 174.059 174.900 -0.103 0.000 1.133 358 G CA -0.601 44.461 45.100 -0.064 0.000 0.891 358 G HN 0.671 nan 8.290 nan 0.000 0.485 359 I N 2.124 122.646 120.570 -0.081 0.000 2.460 359 I HA 0.384 4.554 4.170 0.001 0.000 0.277 359 I C -0.180 175.908 176.117 -0.048 0.000 1.057 359 I CA 0.071 61.325 61.300 -0.077 0.000 1.179 359 I CB 0.614 38.556 38.000 -0.097 0.000 1.329 359 I HN 0.199 nan 8.210 nan 0.000 0.478 360 M N 2.684 122.266 119.600 -0.030 0.000 2.578 360 M HA 0.561 5.041 4.480 0.001 0.000 0.276 360 M C 0.640 176.935 176.300 -0.007 0.000 1.245 360 M CA -0.448 54.840 55.300 -0.021 0.000 0.871 360 M CB 2.306 34.897 32.600 -0.014 0.000 1.722 360 M HN 0.612 nan 8.290 nan 0.000 0.473 361 G N 1.096 109.891 108.800 -0.009 0.000 2.611 361 G HA2 -0.235 3.725 3.960 0.001 0.000 0.301 361 G HA3 -0.235 3.725 3.960 0.001 0.000 0.301 361 G C 0.372 175.275 174.900 0.004 0.000 1.233 361 G CA 0.481 45.582 45.100 0.001 0.000 0.993 361 G HN 0.760 nan 8.290 nan 0.000 0.553 362 E N -0.337 119.871 120.200 0.013 0.000 2.511 362 E HA 0.061 4.412 4.350 0.001 0.000 0.196 362 E C 1.811 178.421 176.600 0.017 0.000 1.066 362 E CA 0.849 57.257 56.400 0.014 0.000 0.871 362 E CB -0.138 29.572 29.700 0.017 0.000 0.863 362 E HN 0.431 nan 8.360 nan 0.000 0.520 363 C N 1.007 120.320 119.300 0.022 0.000 2.688 363 C HA 0.196 4.657 4.460 0.001 0.000 0.297 363 C C 1.242 176.237 174.990 0.008 0.000 1.308 363 C CA -0.269 58.767 59.018 0.030 0.000 1.726 363 C CB -1.011 26.762 27.740 0.056 0.000 1.982 363 C HN 0.078 nan 8.230 nan 0.000 0.604 364 S N 1.839 117.537 115.700 -0.004 0.000 2.994 364 S HA 0.119 4.589 4.470 0.001 0.000 0.247 364 S C 0.674 175.265 174.600 -0.015 0.000 1.323 364 S CA 0.050 58.238 58.200 -0.019 0.000 1.246 364 S CB -0.534 62.652 63.200 -0.022 0.000 0.994 364 S HN 0.836 nan 8.310 nan 0.000 0.484 365 T N -3.366 111.184 114.554 -0.006 0.000 2.916 365 T HA 0.489 4.840 4.350 0.001 0.000 0.292 365 T C 1.203 175.904 174.700 0.001 0.000 1.055 365 T CA -0.799 61.299 62.100 -0.003 0.000 1.009 365 T CB 1.244 70.113 68.868 0.002 0.000 1.118 365 T HN -0.121 nan 8.240 nan 0.000 0.497 366 V N 1.808 121.720 119.914 -0.003 0.000 2.332 366 V HA -0.201 3.920 4.120 0.001 0.000 0.248 366 V C 2.826 178.933 176.094 0.023 0.000 1.055 366 V CA 2.083 64.383 62.300 0.000 0.000 1.038 366 V CB -1.003 30.817 31.823 -0.004 0.000 0.651 366 V HN 0.904 nan 8.190 nan 0.000 0.450 367 Q N -0.598 119.217 119.800 0.025 0.000 2.119 367 Q HA -0.153 4.188 4.340 0.001 0.000 0.201 367 Q C 2.382 178.438 176.000 0.093 0.000 0.972 367 Q CA 1.198 57.026 55.803 0.042 0.000 0.847 367 Q CB -0.237 28.509 28.738 0.013 0.000 0.903 367 Q HN 0.387 nan 8.270 nan 0.000 0.433 368 K N 0.378 120.829 120.400 0.085 0.000 2.001 368 K HA -0.088 4.233 4.320 0.001 0.000 0.208 368 K C 1.993 178.709 176.600 0.193 0.000 1.048 368 K CA 0.955 57.328 56.287 0.144 0.000 0.932 368 K CB -0.389 32.166 32.500 0.091 0.000 0.715 368 K HN 0.152 nan 8.250 nan 0.000 0.437 369 I N 2.265 122.896 120.570 0.101 0.000 2.194 369 I HA -0.304 3.867 4.170 0.001 0.000 0.246 369 I C 2.451 178.646 176.117 0.129 0.000 1.093 369 I CA 1.480 62.827 61.300 0.078 0.000 1.355 369 I CB -0.432 37.563 38.000 -0.010 0.000 1.046 369 I HN 0.200 nan 8.210 nan 0.000 0.413 370 Q N -0.980 118.890 119.800 0.117 0.000 2.079 370 Q HA -0.206 4.134 4.340 0.001 0.000 0.200 370 Q C 2.390 178.488 176.000 0.163 0.000 0.974 370 Q CA 1.587 57.457 55.803 0.111 0.000 0.840 370 Q CB -0.624 28.162 28.738 0.080 0.000 0.898 370 Q HN 0.484 nan 8.270 nan 0.000 0.430 371 F N 0.656 120.644 119.950 0.063 0.000 2.134 371 F HA -0.256 4.272 4.527 0.001 0.000 0.299 371 F C 2.257 178.116 175.800 0.099 0.000 1.097 371 F CA 1.169 59.213 58.000 0.074 0.000 1.264 371 F CB -0.491 38.542 39.000 0.055 0.000 1.001 371 F HN 0.052 nan 8.300 nan 0.000 0.479 372 Y N 0.477 120.778 120.300 0.001 0.000 2.097 372 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 372 Y C 2.206 178.017 175.900 -0.147 0.000 1.152 372 Y CA 2.173 60.219 58.100 -0.091 0.000 1.136 372 Y CB -0.573 37.882 38.460 -0.008 0.000 0.975 372 Y HN 0.075 nan 8.280 nan 0.000 0.498 373 L N -1.107 120.187 121.223 0.119 0.000 2.013 373 L HA -0.293 4.047 4.340 0.001 0.000 0.212 373 L C 2.381 179.193 176.870 -0.097 0.000 1.073 373 L CA 1.979 56.845 54.840 0.042 0.000 0.753 373 L CB -0.980 41.118 42.059 0.066 0.000 0.890 373 L HN 0.370 nan 8.230 nan 0.000 0.432 374 Y N 0.712 120.847 120.300 -0.277 0.000 2.070 374 Y HA -0.235 4.315 4.550 0.001 0.000 0.280 374 Y C 2.331 177.838 175.900 -0.654 0.000 1.148 374 Y CA 1.796 59.656 58.100 -0.399 0.000 1.125 374 Y CB -0.839 37.401 38.460 -0.368 0.000 0.975 374 Y HN 0.073 nan 8.280 nan 0.000 0.492 375 G N -0.631 107.518 108.800 -1.085 0.000 2.418 375 G HA2 -0.328 3.632 3.960 0.001 0.000 0.217 375 G HA3 -0.328 3.632 3.960 0.001 0.000 0.217 375 G C 1.678 176.041 174.900 -0.896 0.000 1.158 375 G CA 0.825 45.008 45.100 -1.528 0.000 0.771 375 G HN 0.525 nan 8.290 nan 0.000 0.545 376 F N 1.613 121.069 119.950 -0.823 0.000 2.069 376 F HA -0.076 4.451 4.527 0.001 0.000 0.298 376 F C 2.684 178.204 175.800 -0.467 0.000 1.113 376 F CA 2.306 59.916 58.000 -0.649 0.000 1.214 376 F CB -0.179 38.436 39.000 -0.642 0.000 0.978 376 F HN 0.158 nan 8.300 nan 0.000 0.474 377 K N 0.161 120.404 120.400 -0.261 0.000 2.009 377 K HA -0.231 4.089 4.320 0.001 0.000 0.210 377 K C 1.990 178.354 176.600 -0.393 0.000 1.049 377 K CA 1.970 58.084 56.287 -0.288 0.000 0.929 377 K CB -0.293 32.001 32.500 -0.343 0.000 0.714 377 K HN 0.171 nan 8.250 nan 0.000 0.440 378 E N 0.523 120.403 120.200 -0.533 0.000 2.160 378 E HA -0.142 4.208 4.350 0.001 0.000 0.195 378 E C 2.154 178.608 176.600 -0.244 0.000 0.991 378 E CA 1.253 57.419 56.400 -0.390 0.000 0.810 378 E CB -0.201 29.203 29.700 -0.492 0.000 0.742 378 E HN 0.317 nan 8.360 nan 0.000 0.466 379 S N 0.963 116.501 115.700 -0.271 0.000 2.357 379 S HA -0.009 4.461 4.470 0.001 0.000 0.221 379 S C 2.024 176.368 174.600 -0.426 0.000 1.031 379 S CA 0.301 58.337 58.200 -0.274 0.000 0.982 379 S CB -0.198 62.942 63.200 -0.100 0.000 0.853 379 S HN 0.196 nan 8.310 nan 0.000 0.458 380 L N 1.466 122.404 121.223 -0.475 0.000 2.042 380 L HA -0.184 4.156 4.340 0.001 0.000 0.210 380 L C 2.547 179.381 176.870 -0.061 0.000 1.076 380 L CA 1.552 56.205 54.840 -0.311 0.000 0.749 380 L CB -0.308 41.532 42.059 -0.365 0.000 0.893 380 L HN 0.312 nan 8.230 nan 0.000 0.432 381 K N -0.376 120.024 120.400 -0.001 0.000 2.001 381 K HA -0.170 4.151 4.320 0.001 0.000 0.208 381 K C 1.911 178.473 176.600 -0.063 0.000 1.048 381 K CA 1.388 57.736 56.287 0.101 0.000 0.932 381 K CB -0.124 32.407 32.500 0.053 0.000 0.715 381 K HN 0.352 nan 8.250 nan 0.000 0.437 382 A N -0.255 122.408 122.820 -0.262 0.000 2.121 382 A HA -0.087 4.233 4.320 0.001 0.000 0.218 382 A C 1.947 179.307 177.584 -0.372 0.000 1.154 382 A CA 1.832 53.652 52.037 -0.361 0.000 0.679 382 A CB -0.323 18.290 19.000 -0.645 0.000 0.795 382 A HN 0.407 nan 8.150 nan 0.000 0.458 383 T N -1.876 112.476 114.554 -0.337 0.000 3.000 383 T HA 0.144 4.495 4.350 0.001 0.000 0.248 383 T C 0.164 174.640 174.700 -0.374 0.000 1.034 383 T CA 0.180 62.094 62.100 -0.310 0.000 1.060 383 T CB -0.038 68.694 68.868 -0.227 0.000 0.983 383 T HN 0.560 nan 8.240 nan 0.000 0.482 384 H N 0.918 119.932 119.070 -0.094 0.000 2.488 384 H HA 0.242 4.799 4.556 0.001 0.000 0.237 384 H C -2.311 173.026 175.328 0.016 0.000 1.395 384 H CA -1.305 54.729 56.048 -0.023 0.000 1.491 384 H CB 1.714 31.472 29.762 -0.006 0.000 1.567 384 H HN 0.174 nan 8.280 nan 0.000 0.508 385 P HA -0.103 nan 4.420 nan 0.000 0.225 385 P C 0.841 178.183 177.300 0.071 0.000 1.148 385 P CA 1.038 64.172 63.100 0.056 0.000 0.779 385 P CB 0.466 32.172 31.700 0.010 0.000 0.780 386 D N -2.855 117.591 120.400 0.076 0.000 2.339 386 D HA -0.018 4.623 4.640 0.001 0.000 0.217 386 D C 0.407 176.716 176.300 0.014 0.000 1.050 386 D CA -0.045 53.980 54.000 0.042 0.000 0.856 386 D CB -0.451 40.371 40.800 0.036 0.000 0.922 386 D HN 0.209 nan 8.370 nan 0.000 0.518 387 Y N 2.092 122.350 120.300 -0.070 0.000 2.610 387 Y HA 0.113 4.664 4.550 0.001 0.000 0.332 387 Y C 0.262 175.967 175.900 -0.326 0.000 1.201 387 Y CA -0.579 57.390 58.100 -0.218 0.000 1.465 387 Y CB 0.365 38.637 38.460 -0.313 0.000 1.283 387 Y HN -0.116 nan 8.280 nan 0.000 0.563 388 I N 4.695 124.563 120.570 -1.171 0.000 2.339 388 I HA 0.475 4.646 4.170 0.001 0.000 0.290 388 I C -1.425 174.147 176.117 -0.909 0.000 0.994 388 I CA -0.479 60.375 61.300 -0.743 0.000 1.191 388 I CB 0.626 38.384 38.000 -0.404 0.000 1.343 388 I HN 0.403 nan 8.210 nan 0.000 0.458 389 F N 0.000 119.852 119.950 -0.163 0.000 2.286 389 F HA 0.000 4.527 4.527 0.001 0.000 0.279 389 F CA 0.000 58.005 58.000 0.008 0.000 1.383 389 F CB 0.000 39.062 39.000 0.104 0.000 1.145 389 F HN 0.000 nan 8.300 nan 0.000 0.574