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 3lsc_1_B DATA FIRST_RESID 1 DATA SEQUENCE MILIRGLTRV ITFDDQEREL EDADILIDGP KIVAVGKDLS DRSVSRTIDG DATA SEQUENCE RGMIALPGLI NSHQHLYEGA MRAIPQLERV TMASWLEGVL TRSAGWWRDG DATA SEQUENCE KFGPDVIREV ARAVLLESLL GGITTVADQH LFFPGATADS YIDATIEAAT DATA SEQUENCE DLGIRFHAAR SSMTLGKSEG GFCDDLFVEP VDRVVQHCLG LIDQYHEPEP DATA SEQUENCE FGMVRIALGP CGVPYDKPEL FEAFAQMAAD YDVRLHTHFY QPLDAGMSDH DATA SEQUENCE LYGMTPWRFL EKHGWASDRV WLAHAVVPPR EEIPEFADAG VAIAHLIAPD DATA SEQUENCE LRMGWGLAPI REYLDAGITV GFGTTGSASN DGGNLLGDLR LAALAHRPAD DATA SEQUENCE PNEPEKWLSA RELLRMATRG SAECLGRPDL GVLEEGRAAD IACWRLDGVD DATA SEQUENCE RVGVHDPAIG LIMTGLSDRA SLVVVNGQVL VENERPVLAD LERIVANTTA DATA SEQUENCE LIP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 I N 2.357 122.909 120.570 -0.030 0.000 2.436 2 I HA 0.533 4.702 4.170 -0.000 0.000 0.289 2 I C -1.430 174.671 176.117 -0.027 0.000 1.010 2 I CA -0.873 60.409 61.300 -0.029 0.000 1.098 2 I CB 1.995 39.975 38.000 -0.034 0.000 1.266 2 I HN 0.448 nan 8.210 nan 0.000 0.434 3 L N 8.222 129.431 121.223 -0.023 0.000 2.305 3 L HA 0.575 4.914 4.340 -0.000 0.000 0.284 3 L C -0.739 176.119 176.870 -0.021 0.000 1.013 3 L CA -0.079 54.749 54.840 -0.020 0.000 0.819 3 L CB 1.080 43.130 42.059 -0.016 0.000 1.227 3 L HN 0.397 nan 8.230 nan 0.000 0.417 4 I N 5.309 125.866 120.570 -0.021 0.000 2.297 4 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 4 I C 0.074 176.182 176.117 -0.015 0.000 1.033 4 I CA -0.392 60.896 61.300 -0.020 0.000 1.253 4 I CB 0.796 38.782 38.000 -0.023 0.000 1.396 4 I HN 0.600 nan 8.210 nan 0.000 0.476 5 R N 4.902 125.394 120.500 -0.014 0.000 2.393 5 R HA 0.564 4.904 4.340 -0.000 0.000 0.310 5 R C 0.708 177.002 176.300 -0.009 0.000 0.968 5 R CA 0.078 56.171 56.100 -0.011 0.000 0.867 5 R CB 1.422 31.715 30.300 -0.011 0.000 1.124 5 R HN 0.845 nan 8.270 nan 0.000 0.450 6 G N 3.849 112.644 108.800 -0.007 0.000 2.160 6 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.244 6 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.244 6 G C -0.023 174.875 174.900 -0.004 0.000 1.022 6 G CA 0.097 45.194 45.100 -0.006 0.000 0.741 6 G HN 0.529 nan 8.290 nan 0.000 0.508 7 L N 0.272 121.493 121.223 -0.003 0.000 2.615 7 L HA 0.078 4.418 4.340 -0.000 0.000 0.284 7 L C 2.199 179.070 176.870 0.002 0.000 1.237 7 L CA 0.790 55.631 54.840 0.001 0.000 0.905 7 L CB 0.181 42.241 42.059 0.002 0.000 1.149 7 L HN 0.250 nan 8.230 nan 0.000 0.499 8 T N 1.081 115.639 114.554 0.006 0.000 2.788 8 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 8 T C 0.763 175.463 174.700 0.001 0.000 1.044 8 T CA 1.278 63.380 62.100 0.004 0.000 1.139 8 T CB -0.129 68.743 68.868 0.008 0.000 0.867 8 T HN 0.387 nan 8.240 nan 0.000 0.454 9 R N 0.213 120.716 120.500 0.005 0.000 2.584 9 R HA 0.544 4.883 4.340 -0.000 0.000 0.276 9 R C -2.252 174.044 176.300 -0.006 0.000 1.046 9 R CA -0.517 55.580 56.100 -0.005 0.000 0.906 9 R CB 1.518 31.815 30.300 -0.005 0.000 1.215 9 R HN -0.071 nan 8.270 nan 0.000 0.449 10 V N 5.764 125.662 119.914 -0.026 0.000 2.487 10 V HA 0.531 4.650 4.120 -0.000 0.000 0.298 10 V C -0.478 175.564 176.094 -0.087 0.000 1.028 10 V CA -0.798 61.481 62.300 -0.035 0.000 0.860 10 V CB 1.846 33.652 31.823 -0.028 0.000 0.991 10 V HN 0.578 nan 8.190 nan 0.000 0.427 11 I N 4.775 125.268 120.570 -0.127 0.000 2.328 11 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 11 I C 1.473 177.394 176.117 -0.326 0.000 1.012 11 I CA -0.087 61.031 61.300 -0.303 0.000 1.195 11 I CB 1.183 38.929 38.000 -0.423 0.000 1.350 11 I HN 0.801 nan 8.210 nan 0.000 0.464 12 T N 1.837 116.223 114.554 -0.279 0.000 3.009 12 T HA -0.007 4.343 4.350 -0.000 0.000 0.258 12 T C 0.912 175.601 174.700 -0.018 0.000 1.063 12 T CA 0.333 62.365 62.100 -0.114 0.000 1.139 12 T CB -0.250 68.590 68.868 -0.047 0.000 0.890 12 T HN 0.366 nan 8.240 nan 0.000 0.471 13 F N 2.537 122.499 119.950 0.019 0.000 3.100 13 F HA -0.152 4.375 4.527 -0.000 0.000 0.283 13 F C 0.453 176.263 175.800 0.017 0.000 0.900 13 F CA 0.135 58.145 58.000 0.017 0.000 1.010 13 F CB -2.681 36.330 39.000 0.018 0.000 1.029 13 F HN 0.547 nan 8.300 nan 0.000 0.637 14 D N -0.281 120.192 120.400 0.121 0.000 2.380 14 D HA 0.115 4.754 4.640 -0.000 0.000 0.254 14 D C 0.996 177.345 176.300 0.081 0.000 1.288 14 D CA 0.113 54.165 54.000 0.087 0.000 1.008 14 D CB 0.354 41.182 40.800 0.047 0.000 1.099 14 D HN 0.147 nan 8.370 nan 0.000 0.537 15 D N -1.494 118.941 120.400 0.058 0.000 2.350 15 D HA -0.081 4.559 4.640 -0.000 0.000 0.216 15 D C 0.845 177.172 176.300 0.045 0.000 0.968 15 D CA 0.807 54.838 54.000 0.051 0.000 0.894 15 D CB 0.123 40.946 40.800 0.038 0.000 0.909 15 D HN 0.230 nan 8.370 nan 0.000 0.520 16 Q N 0.244 120.067 119.800 0.039 0.000 2.172 16 Q HA 0.062 4.401 4.340 -0.000 0.000 0.217 16 Q C -0.149 175.868 176.000 0.028 0.000 0.832 16 Q CA 0.055 55.876 55.803 0.029 0.000 1.010 16 Q CB 0.756 29.505 28.738 0.018 0.000 1.133 16 Q HN 0.182 nan 8.270 nan 0.000 0.489 17 E N 0.624 120.851 120.200 0.045 0.000 2.403 17 E HA -0.236 4.113 4.350 -0.000 0.000 0.241 17 E C -0.424 176.159 176.600 -0.029 0.000 1.201 17 E CA 0.577 56.996 56.400 0.033 0.000 0.721 17 E CB -1.314 28.421 29.700 0.059 0.000 1.245 17 E HN 0.430 nan 8.360 nan 0.000 0.392 18 R N 0.608 121.090 120.500 -0.030 0.000 2.640 18 R HA 0.127 4.467 4.340 -0.000 0.000 0.270 18 R C 0.731 176.978 176.300 -0.087 0.000 1.024 18 R CA 0.670 56.744 56.100 -0.043 0.000 1.085 18 R CB 0.521 30.805 30.300 -0.027 0.000 0.963 18 R HN 0.172 nan 8.270 nan 0.000 0.426 19 E N 2.043 122.198 120.200 -0.075 0.000 2.336 19 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 19 E C -1.087 175.482 176.600 -0.053 0.000 0.906 19 E CA -0.945 55.403 56.400 -0.087 0.000 0.781 19 E CB 1.871 31.515 29.700 -0.094 0.000 1.261 19 E HN 0.132 nan 8.360 nan 0.000 0.436 20 L N 0.987 122.182 121.223 -0.047 0.000 2.388 20 L HA 0.420 4.760 4.340 -0.000 0.000 0.264 20 L C -0.562 176.294 176.870 -0.023 0.000 0.998 20 L CA -0.539 54.283 54.840 -0.029 0.000 0.817 20 L CB 2.044 44.089 42.059 -0.024 0.000 1.338 20 L HN 0.514 nan 8.230 nan 0.000 0.414 21 E N 1.051 121.241 120.200 -0.016 0.000 2.199 21 E HA 0.368 4.717 4.350 -0.000 0.000 0.269 21 E C -1.197 175.398 176.600 -0.008 0.000 0.899 21 E CA -0.482 55.911 56.400 -0.011 0.000 0.772 21 E CB 0.961 30.656 29.700 -0.009 0.000 1.155 21 E HN 0.596 nan 8.360 nan 0.000 0.408 22 D N 1.605 122.001 120.400 -0.006 0.000 2.812 22 D HA -0.206 4.434 4.640 -0.000 0.000 0.237 22 D C -1.088 175.209 176.300 -0.006 0.000 1.162 22 D CA 1.297 55.294 54.000 -0.005 0.000 0.740 22 D CB -1.199 39.598 40.800 -0.004 0.000 1.000 22 D HN 0.488 nan 8.370 nan 0.000 0.416 23 A N 0.337 123.153 122.820 -0.007 0.000 2.530 23 A HA 0.741 5.061 4.320 -0.000 0.000 0.288 23 A C -0.844 176.735 177.584 -0.008 0.000 1.172 23 A CA -0.778 51.254 52.037 -0.008 0.000 0.733 23 A CB 1.807 20.801 19.000 -0.010 0.000 1.320 23 A HN -0.009 nan 8.150 nan 0.000 0.419 24 D N -0.367 120.028 120.400 -0.008 0.000 2.419 24 D HA 0.662 5.302 4.640 -0.000 0.000 0.234 24 D C -0.982 175.313 176.300 -0.010 0.000 1.014 24 D CA 0.029 54.024 54.000 -0.009 0.000 0.919 24 D CB 1.660 42.455 40.800 -0.009 0.000 1.366 24 D HN 0.406 nan 8.370 nan 0.000 0.490 25 I N 1.146 121.709 120.570 -0.012 0.000 2.466 25 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 25 I C -1.060 175.047 176.117 -0.017 0.000 1.026 25 I CA -0.988 60.304 61.300 -0.013 0.000 1.078 25 I CB 1.925 39.917 38.000 -0.013 0.000 1.249 25 I HN 0.010 nan 8.210 nan 0.000 0.429 26 L N 8.248 129.461 121.223 -0.017 0.000 2.307 26 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 26 L C -0.938 175.915 176.870 -0.028 0.000 1.023 26 L CA -0.112 54.715 54.840 -0.020 0.000 0.810 26 L CB 1.267 43.317 42.059 -0.016 0.000 1.231 26 L HN 0.412 nan 8.230 nan 0.000 0.423 27 I N 3.754 124.303 120.570 -0.036 0.000 2.509 27 I HA 0.391 4.561 4.170 -0.000 0.000 0.293 27 I C -1.284 174.801 176.117 -0.053 0.000 1.020 27 I CA -0.525 60.744 61.300 -0.051 0.000 1.088 27 I CB 2.129 40.095 38.000 -0.057 0.000 1.267 27 I HN 0.551 nan 8.210 nan 0.000 0.430 28 D N 4.531 124.890 120.400 -0.068 0.000 2.542 28 D HA 0.557 5.196 4.640 -0.000 0.000 0.252 28 D C 0.437 176.685 176.300 -0.088 0.000 1.222 28 D CA 0.650 54.613 54.000 -0.061 0.000 0.895 28 D CB 1.319 42.093 40.800 -0.043 0.000 1.207 28 D HN 0.784 nan 8.370 nan 0.000 0.558 29 G N 4.907 113.661 108.800 -0.078 0.000 2.622 29 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.307 29 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.307 29 G C -1.462 173.350 174.900 -0.147 0.000 1.226 29 G CA 0.198 45.243 45.100 -0.091 0.000 0.997 29 G HN 0.544 nan 8.290 nan 0.000 0.551 30 P HA 0.207 nan 4.420 nan 0.000 0.245 30 P C 0.403 177.350 177.300 -0.588 0.000 1.206 30 P CA 1.525 64.403 63.100 -0.370 0.000 0.781 30 P CB 0.064 31.504 31.700 -0.433 0.000 0.994 31 K N -0.626 119.482 120.400 -0.487 0.000 2.340 31 K HA 0.502 4.821 4.320 -0.000 0.000 0.244 31 K C -0.698 175.790 176.600 -0.186 0.000 0.973 31 K CA -1.046 54.975 56.287 -0.444 0.000 0.828 31 K CB 1.531 33.782 32.500 -0.415 0.000 1.226 31 K HN -0.237 nan 8.250 nan 0.000 0.437 32 I N 2.932 123.436 120.570 -0.109 0.000 2.416 32 I HA -0.023 4.147 4.170 -0.000 0.000 0.288 32 I C 0.944 177.047 176.117 -0.024 0.000 1.051 32 I CA -0.485 60.786 61.300 -0.048 0.000 1.375 32 I CB 1.464 39.455 38.000 -0.015 0.000 1.407 32 I HN 0.524 nan 8.210 nan 0.000 0.516 33 V N 5.938 125.838 119.914 -0.023 0.000 2.500 33 V HA 0.205 4.325 4.120 -0.000 0.000 0.243 33 V C 0.756 176.849 176.094 -0.001 0.000 1.039 33 V CA 1.133 63.428 62.300 -0.010 0.000 1.053 33 V CB -0.101 31.713 31.823 -0.014 0.000 0.695 33 V HN 0.870 nan 8.190 nan 0.000 0.463 34 A N -0.964 121.853 122.820 -0.004 0.000 2.612 34 A HA 0.724 5.044 4.320 -0.000 0.000 0.293 34 A C -1.654 175.929 177.584 -0.003 0.000 1.075 34 A CA -0.355 51.681 52.037 -0.001 0.000 0.680 34 A CB 1.965 20.964 19.000 -0.001 0.000 1.279 34 A HN 0.021 nan 8.150 nan 0.000 0.411 35 V N 0.839 120.752 119.914 -0.001 0.000 2.524 35 V HA 0.856 4.975 4.120 -0.000 0.000 0.297 35 V C 0.430 176.522 176.094 -0.004 0.000 1.035 35 V CA 0.498 62.796 62.300 -0.003 0.000 0.867 35 V CB 1.101 32.923 31.823 -0.002 0.000 1.004 35 V HN 2.150 nan 8.190 nan 0.000 0.426 36 G N 3.915 112.712 108.800 -0.006 0.000 2.315 36 G HA2 0.302 4.262 3.960 -0.000 0.000 0.294 36 G HA3 0.302 4.262 3.960 -0.000 0.000 0.294 36 G C -1.615 173.282 174.900 -0.006 0.000 1.300 36 G CA -1.009 44.088 45.100 -0.006 0.000 0.843 36 G HN 0.471 nan 8.290 nan 0.000 0.527 37 K N 0.309 120.705 120.400 -0.006 0.000 2.237 37 K HA 0.361 4.681 4.320 -0.000 0.000 0.270 37 K C -0.035 176.562 176.600 -0.005 0.000 1.015 37 K CA 0.151 56.435 56.287 -0.006 0.000 0.949 37 K CB 0.846 33.343 32.500 -0.005 0.000 0.976 37 K HN 0.665 nan 8.250 nan 0.000 0.472 38 D N 1.916 122.313 120.400 -0.005 0.000 2.697 38 D HA -0.192 4.448 4.640 -0.000 0.000 0.235 38 D C -0.750 175.547 176.300 -0.005 0.000 1.167 38 D CA 0.485 54.482 54.000 -0.005 0.000 0.656 38 D CB -0.927 39.871 40.800 -0.004 0.000 1.025 38 D HN 0.369 nan 8.370 nan 0.000 0.419 39 L N 0.260 121.479 121.223 -0.006 0.000 2.461 39 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 39 L C 1.280 178.147 176.870 -0.006 0.000 1.197 39 L CA -0.103 54.734 54.840 -0.006 0.000 0.836 39 L CB 0.855 42.910 42.059 -0.007 0.000 1.105 39 L HN 0.148 nan 8.230 nan 0.000 0.477 40 S N 0.467 116.164 115.700 -0.006 0.000 2.549 40 S HA 0.024 4.494 4.470 -0.000 0.000 0.279 40 S C 0.289 174.885 174.600 -0.007 0.000 1.321 40 S CA -0.747 57.449 58.200 -0.006 0.000 1.054 40 S CB 0.399 63.596 63.200 -0.005 0.000 0.899 40 S HN 0.658 nan 8.310 nan 0.000 0.497 41 D N 4.107 124.503 120.400 -0.007 0.000 2.519 41 D HA 0.068 4.708 4.640 -0.000 0.000 0.238 41 D C 1.637 177.932 176.300 -0.008 0.000 1.192 41 D CA -0.499 53.496 54.000 -0.008 0.000 0.835 41 D CB 0.149 40.944 40.800 -0.009 0.000 0.975 41 D HN 0.501 nan 8.370 nan 0.000 0.490 42 R N 0.581 121.076 120.500 -0.007 0.000 2.292 42 R HA -0.180 4.160 4.340 -0.000 0.000 0.216 42 R C 0.802 177.097 176.300 -0.007 0.000 1.071 42 R CA 1.432 57.528 56.100 -0.006 0.000 0.838 42 R CB -1.696 28.601 30.300 -0.005 0.000 0.800 42 R HN 0.136 nan 8.270 nan 0.000 0.434 43 S N 1.005 116.700 115.700 -0.008 0.000 2.710 43 S HA 0.189 4.659 4.470 -0.000 0.000 0.224 43 S C 0.126 174.720 174.600 -0.011 0.000 0.948 43 S CA -0.333 57.862 58.200 -0.008 0.000 0.949 43 S CB 0.139 63.334 63.200 -0.008 0.000 0.778 43 S HN 0.191 nan 8.310 nan 0.000 0.498 44 V N 3.725 123.632 119.914 -0.011 0.000 2.485 44 V HA 0.020 4.140 4.120 -0.000 0.000 0.287 44 V C 1.363 177.449 176.094 -0.013 0.000 1.022 44 V CA 0.416 62.708 62.300 -0.013 0.000 1.067 44 V CB 0.820 32.635 31.823 -0.013 0.000 0.967 44 V HN 0.608 nan 8.190 nan 0.000 0.479 45 S N 4.815 120.506 115.700 -0.015 0.000 2.535 45 S HA 0.226 4.696 4.470 -0.000 0.000 0.214 45 S C 0.655 175.246 174.600 -0.015 0.000 0.980 45 S CA -0.233 57.959 58.200 -0.014 0.000 0.907 45 S CB 0.220 63.411 63.200 -0.014 0.000 0.790 45 S HN 0.710 nan 8.310 nan 0.000 0.510 46 R N 0.459 120.949 120.500 -0.016 0.000 2.522 46 R HA 0.331 4.671 4.340 -0.000 0.000 0.273 46 R C -1.899 174.390 176.300 -0.018 0.000 1.133 46 R CA -0.074 56.015 56.100 -0.017 0.000 0.969 46 R CB 1.622 31.910 30.300 -0.020 0.000 1.235 46 R HN 0.171 nan 8.270 nan 0.000 0.433 47 T N 5.452 119.996 114.554 -0.017 0.000 2.779 47 T HA 0.492 4.842 4.350 -0.000 0.000 0.280 47 T C 0.066 174.755 174.700 -0.018 0.000 0.987 47 T CA -0.430 61.660 62.100 -0.017 0.000 0.966 47 T CB 0.905 69.764 68.868 -0.014 0.000 0.933 47 T HN 0.358 nan 8.240 nan 0.000 0.442 48 I N 2.593 123.151 120.570 -0.020 0.000 2.354 48 I HA 0.263 4.432 4.170 -0.000 0.000 0.292 48 I C 0.032 176.138 176.117 -0.019 0.000 0.989 48 I CA -0.908 60.379 61.300 -0.022 0.000 1.188 48 I CB 1.460 39.443 38.000 -0.028 0.000 1.342 48 I HN 0.488 nan 8.210 nan 0.000 0.457 49 D N 4.982 125.371 120.400 -0.018 0.000 2.346 49 D HA 0.136 4.776 4.640 -0.000 0.000 0.260 49 D C 0.954 177.245 176.300 -0.015 0.000 1.252 49 D CA 0.108 54.100 54.000 -0.014 0.000 0.895 49 D CB 1.493 42.285 40.800 -0.013 0.000 1.097 49 D HN 0.730 nan 8.370 nan 0.000 0.489 50 G N 3.788 112.580 108.800 -0.012 0.000 3.088 50 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.217 50 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.217 50 G C 0.689 175.587 174.900 -0.003 0.000 1.159 50 G CA -0.344 44.750 45.100 -0.010 0.000 0.760 50 G HN 0.389 nan 8.290 nan 0.000 0.550 51 R N 0.055 120.553 120.500 -0.004 0.000 2.538 51 R HA 0.354 4.694 4.340 -0.000 0.000 0.282 51 R C 1.374 177.676 176.300 0.003 0.000 1.009 51 R CA 0.997 57.096 56.100 -0.001 0.000 1.063 51 R CB 0.325 30.624 30.300 -0.003 0.000 0.945 51 R HN 0.257 nan 8.270 nan 0.000 0.414 52 G N 2.012 110.816 108.800 0.007 0.000 2.157 52 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 52 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 52 G C 0.048 174.963 174.900 0.026 0.000 0.979 52 G CA -0.041 45.067 45.100 0.012 0.000 0.650 52 G HN 0.471 nan 8.290 nan 0.000 0.529 53 M N -0.031 119.586 119.600 0.028 0.000 2.598 53 M HA 0.659 5.138 4.480 -0.000 0.000 0.317 53 M C -0.068 176.269 176.300 0.062 0.000 1.179 53 M CA -0.900 54.430 55.300 0.050 0.000 0.936 53 M CB 2.568 35.187 32.600 0.030 0.000 1.713 53 M HN 0.163 nan 8.290 nan 0.000 0.460 54 I N 1.599 122.236 120.570 0.110 0.000 2.377 54 I HA 0.664 4.834 4.170 -0.000 0.000 0.293 54 I C -0.828 175.386 176.117 0.160 0.000 0.987 54 I CA -0.382 60.985 61.300 0.113 0.000 1.185 54 I CB 1.110 39.175 38.000 0.108 0.000 1.341 54 I HN 0.819 nan 8.210 nan 0.000 0.455 55 A N 7.826 130.707 122.820 0.101 0.000 2.317 55 A HA 0.796 5.115 4.320 -0.000 0.000 0.327 55 A C -1.291 176.361 177.584 0.114 0.000 1.178 55 A CA -0.462 51.636 52.037 0.103 0.000 0.817 55 A CB 1.125 20.150 19.000 0.041 0.000 1.189 55 A HN 0.631 nan 8.150 nan 0.000 0.489 56 L N 1.951 123.283 121.223 0.182 0.000 2.283 56 L HA 0.620 4.960 4.340 -0.000 0.000 0.259 56 L C -2.410 174.564 176.870 0.174 0.000 1.027 56 L CA -1.843 53.111 54.840 0.189 0.000 0.828 56 L CB 1.908 44.150 42.059 0.305 0.000 1.380 56 L HN 0.376 nan 8.230 nan 0.000 0.425 57 P HA 0.133 nan 4.420 nan 0.000 0.269 57 P C -0.307 177.086 177.300 0.155 0.000 1.215 57 P CA -0.292 62.902 63.100 0.157 0.000 0.780 57 P CB 0.323 32.136 31.700 0.188 0.000 0.898 58 G N 2.544 111.404 108.800 0.101 0.000 2.391 58 G HA2 0.118 4.078 3.960 -0.000 0.000 0.234 58 G HA3 0.118 4.078 3.960 -0.000 0.000 0.234 58 G C -0.093 174.873 174.900 0.109 0.000 1.284 58 G CA -0.446 44.709 45.100 0.093 0.000 0.873 58 G HN 0.411 nan 8.290 nan 0.000 0.549 59 L N 1.223 122.532 121.223 0.143 0.000 2.461 59 L HA 0.290 4.629 4.340 -0.000 0.000 0.272 59 L C 0.371 177.281 176.870 0.066 0.000 1.197 59 L CA 0.090 54.999 54.840 0.115 0.000 0.836 59 L CB 0.606 42.757 42.059 0.153 0.000 1.105 59 L HN 0.325 nan 8.230 nan 0.000 0.477 60 I N 2.579 123.169 120.570 0.034 0.000 2.439 60 I HA 0.176 4.345 4.170 -0.000 0.000 0.283 60 I C -0.263 175.860 176.117 0.011 0.000 1.023 60 I CA -0.465 60.831 61.300 -0.006 0.000 1.100 60 I CB 1.618 39.576 38.000 -0.070 0.000 1.238 60 I HN 0.514 nan 8.210 nan 0.000 0.445 61 N N 4.059 122.776 118.700 0.029 0.000 2.402 61 N HA 0.058 4.798 4.740 -0.000 0.000 0.252 61 N C 0.869 176.395 175.510 0.026 0.000 1.118 61 N CA -0.011 53.076 53.050 0.062 0.000 0.945 61 N CB 1.006 39.541 38.487 0.079 0.000 1.147 61 N HN 0.620 nan 8.380 nan 0.000 0.495 62 S N 2.003 117.732 115.700 0.048 0.000 2.631 62 S HA 0.020 4.489 4.470 -0.000 0.000 0.217 62 S C 0.184 174.943 174.600 0.264 0.000 0.958 62 S CA 0.103 58.330 58.200 0.045 0.000 0.920 62 S CB -0.256 62.917 63.200 -0.044 0.000 0.776 62 S HN 0.696 nan 8.310 nan 0.000 0.517 63 H N 0.392 119.498 119.070 0.060 0.000 3.287 63 H HA 0.471 5.027 4.556 -0.000 0.000 0.330 63 H C -1.095 174.190 175.328 -0.071 0.000 1.064 63 H CA -0.158 55.905 56.048 0.025 0.000 1.544 63 H CB 0.638 30.424 29.762 0.040 0.000 1.918 63 H HN 0.065 nan 8.280 nan 0.000 0.477 64 Q N 2.250 121.807 119.800 -0.405 0.000 2.433 64 Q HA 0.349 4.689 4.340 -0.000 0.000 0.279 64 Q C -0.858 174.813 176.000 -0.549 0.000 1.105 64 Q CA -0.836 54.773 55.803 -0.323 0.000 0.815 64 Q CB 1.990 30.705 28.738 -0.039 0.000 1.403 64 Q HN 0.734 nan 8.270 nan 0.000 0.435 65 H N 3.159 122.228 119.070 -0.001 0.000 2.569 65 H HA 0.231 4.787 4.556 -0.001 0.000 0.247 65 H C 1.015 176.376 175.328 0.054 0.000 1.346 65 H CA -0.072 56.015 56.048 0.064 0.000 1.502 65 H CB 0.368 30.152 29.762 0.036 0.000 1.512 65 H HN 0.452 nan 8.280 nan 0.000 0.502 66 L N 0.933 122.310 121.223 0.256 0.000 2.081 66 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 66 L C 2.420 179.404 176.870 0.190 0.000 1.080 66 L CA 1.769 56.735 54.840 0.211 0.000 0.754 66 L CB -0.562 41.645 42.059 0.247 0.000 0.893 66 L HN 0.572 nan 8.230 nan 0.000 0.433 67 Y N 0.004 120.424 120.300 0.199 0.000 2.403 67 Y HA -0.171 4.378 4.550 -0.001 0.000 0.291 67 Y C 1.957 177.986 175.900 0.215 0.000 1.143 67 Y CA 0.847 59.047 58.100 0.166 0.000 1.257 67 Y CB -0.896 37.638 38.460 0.123 0.000 0.984 67 Y HN 0.196 nan 8.280 nan 0.000 0.550 68 E N 0.856 120.733 120.200 -0.538 0.000 2.516 68 E HA -0.040 4.310 4.350 -0.000 0.000 0.199 68 E C 2.275 178.853 176.600 -0.035 0.000 1.069 68 E CA 0.389 56.578 56.400 -0.351 0.000 0.876 68 E CB -0.193 29.314 29.700 -0.321 0.000 0.843 68 E HN 0.758 nan 8.360 nan 0.000 0.530 69 G N 1.451 110.270 108.800 0.032 0.000 2.462 69 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 69 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 69 G C 1.509 176.466 174.900 0.094 0.000 1.121 69 G CA 0.693 45.835 45.100 0.070 0.000 0.758 69 G HN 0.336 nan 8.290 nan 0.000 0.559 70 A N -0.095 122.818 122.820 0.155 0.000 2.238 70 A HA 0.463 4.783 4.320 -0.000 0.000 0.208 70 A C 1.647 179.333 177.584 0.171 0.000 1.177 70 A CA 0.342 52.481 52.037 0.170 0.000 0.804 70 A CB -0.130 19.063 19.000 0.322 0.000 0.823 70 A HN 0.384 nan 8.150 nan 0.000 0.482 71 M N 0.062 119.752 119.600 0.150 0.000 2.876 71 M HA 0.250 4.729 4.480 -0.000 0.000 0.367 71 M C -0.327 176.021 176.300 0.080 0.000 1.242 71 M CA -0.090 55.294 55.300 0.139 0.000 0.889 71 M CB 0.537 33.169 32.600 0.054 0.000 1.353 71 M HN 0.111 nan 8.290 nan 0.000 0.511 72 R N 1.235 121.781 120.500 0.077 0.000 2.410 72 R HA 0.588 4.928 4.340 -0.000 0.000 0.288 72 R C 0.862 177.195 176.300 0.055 0.000 1.051 72 R CA 0.105 56.242 56.100 0.062 0.000 1.021 72 R CB 0.922 31.254 30.300 0.054 0.000 1.032 72 R HN 0.474 nan 8.270 nan 0.000 0.481 73 A N 2.898 125.748 122.820 0.051 0.000 2.687 73 A HA -0.193 4.127 4.320 -0.000 0.000 0.299 73 A C 0.125 177.731 177.584 0.037 0.000 1.497 73 A CA 0.460 52.521 52.037 0.040 0.000 0.751 73 A CB -1.875 17.144 19.000 0.032 0.000 1.048 73 A HN 0.659 nan 8.150 nan 0.000 0.464 74 I N -0.170 120.423 120.570 0.038 0.000 2.352 74 I HA 0.156 4.326 4.170 -0.000 0.000 0.290 74 I C -0.814 175.315 176.117 0.019 0.000 1.036 74 I CA -2.136 59.181 61.300 0.029 0.000 1.336 74 I CB 1.149 39.158 38.000 0.016 0.000 1.407 74 I HN 0.102 nan 8.210 nan 0.000 0.497 75 P HA -0.209 nan 4.420 nan 0.000 0.216 75 P C 1.024 178.329 177.300 0.007 0.000 1.153 75 P CA 1.377 64.485 63.100 0.012 0.000 0.858 75 P CB 0.147 31.854 31.700 0.011 0.000 0.789 76 Q N -1.260 118.539 119.800 -0.002 0.000 2.437 76 Q HA 0.012 4.351 4.340 -0.000 0.000 0.210 76 Q C 1.478 177.473 176.000 -0.009 0.000 0.972 76 Q CA 0.821 56.617 55.803 -0.011 0.000 0.903 76 Q CB -0.482 28.241 28.738 -0.026 0.000 0.967 76 Q HN 0.306 nan 8.270 nan 0.000 0.486 77 L N -0.541 120.683 121.223 0.000 0.000 2.808 77 L HA 0.173 4.513 4.340 -0.000 0.000 0.246 77 L C 1.767 178.683 176.870 0.076 0.000 1.153 77 L CA -0.038 54.822 54.840 0.032 0.000 0.956 77 L CB 0.162 42.216 42.059 -0.008 0.000 1.270 77 L HN 0.239 nan 8.230 nan 0.000 0.528 78 E N 1.679 121.905 120.200 0.042 0.000 2.047 78 E HA -0.089 4.260 4.350 -0.000 0.000 0.191 78 E C 0.539 177.153 176.600 0.023 0.000 0.987 78 E CA 0.907 57.327 56.400 0.033 0.000 0.799 78 E CB 0.422 30.133 29.700 0.019 0.000 0.752 78 E HN 0.344 nan 8.360 nan 0.000 0.449 79 R N 0.631 121.143 120.500 0.020 0.000 2.443 79 R HA 0.259 4.599 4.340 -0.000 0.000 0.287 79 R C -1.099 175.212 176.300 0.018 0.000 1.425 79 R CA -0.369 55.735 56.100 0.007 0.000 1.300 79 R CB 1.669 31.969 30.300 -0.000 0.000 1.129 79 R HN -0.019 nan 8.270 nan 0.000 0.577 80 V N -1.716 118.216 119.914 0.029 0.000 3.049 80 V HA 0.614 4.734 4.120 -0.000 0.000 0.309 80 V C 0.396 176.510 176.094 0.033 0.000 1.148 80 V CA -1.031 61.299 62.300 0.051 0.000 0.990 80 V CB 1.838 33.724 31.823 0.106 0.000 1.039 80 V HN 0.581 nan 8.190 nan 0.000 0.430 81 T N 0.295 114.878 114.554 0.047 0.000 2.788 81 T HA 0.329 4.679 4.350 -0.000 0.000 0.287 81 T C 0.995 175.755 174.700 0.101 0.000 1.007 81 T CA 0.421 62.552 62.100 0.052 0.000 1.005 81 T CB 0.850 69.758 68.868 0.067 0.000 1.012 81 T HN 0.927 nan 8.240 nan 0.000 0.530 82 M N 1.660 121.337 119.600 0.128 0.000 2.082 82 M HA -0.027 4.452 4.480 -0.000 0.000 0.258 82 M C 2.366 178.799 176.300 0.221 0.000 1.069 82 M CA 2.331 57.744 55.300 0.189 0.000 1.102 82 M CB -1.632 31.153 32.600 0.308 0.000 1.336 82 M HN 0.901 nan 8.290 nan 0.000 0.404 83 A N -1.187 121.721 122.820 0.147 0.000 1.873 83 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 83 A C 2.281 179.926 177.584 0.102 0.000 1.193 83 A CA 2.571 54.672 52.037 0.108 0.000 0.629 83 A CB -1.306 17.733 19.000 0.066 0.000 0.826 83 A HN 0.620 nan 8.150 nan 0.000 0.447 84 S N -2.072 113.687 115.700 0.098 0.000 2.402 84 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 84 S C 1.485 176.131 174.600 0.076 0.000 1.021 84 S CA 1.237 59.476 58.200 0.065 0.000 0.974 84 S CB -0.451 62.782 63.200 0.056 0.000 0.800 84 S HN 0.777 nan 8.310 nan 0.000 0.484 85 W N 1.956 123.227 121.300 -0.048 0.000 2.378 85 W HA -0.059 4.601 4.660 -0.001 0.000 0.313 85 W C 1.873 178.344 176.519 -0.080 0.000 1.197 85 W CA 0.769 58.072 57.345 -0.071 0.000 1.304 85 W CB -0.563 28.848 29.460 -0.083 0.000 1.148 85 W HN 0.206 nan 8.180 nan 0.000 0.494 86 L N 1.410 122.752 121.223 0.197 0.000 2.046 86 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 86 L C 2.365 179.135 176.870 -0.167 0.000 1.077 86 L CA 2.696 57.533 54.840 -0.005 0.000 0.747 86 L CB -1.426 40.712 42.059 0.133 0.000 0.896 86 L HN 0.150 nan 8.230 nan 0.000 0.432 87 E N -0.623 119.525 120.200 -0.086 0.000 2.058 87 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 87 E C 2.123 178.612 176.600 -0.187 0.000 0.997 87 E CA 1.723 58.064 56.400 -0.098 0.000 0.801 87 E CB -0.874 28.799 29.700 -0.046 0.000 0.746 87 E HN 0.467 nan 8.360 nan 0.000 0.450 88 G N -0.293 108.361 108.800 -0.243 0.000 2.408 88 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 88 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 88 G C 1.707 176.337 174.900 -0.449 0.000 1.150 88 G CA 0.931 45.847 45.100 -0.308 0.000 0.776 88 G HN 0.261 nan 8.290 nan 0.000 0.542 89 V N 0.738 120.284 119.914 -0.613 0.000 2.407 89 V HA -0.008 4.112 4.120 -0.000 0.000 0.245 89 V C 2.855 178.655 176.094 -0.490 0.000 1.041 89 V CA 1.076 62.968 62.300 -0.681 0.000 1.040 89 V CB -0.296 30.907 31.823 -1.034 0.000 0.671 89 V HN 0.315 nan 8.190 nan 0.000 0.455 90 L N -0.416 120.585 121.223 -0.370 0.000 2.093 90 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 90 L C 2.600 179.385 176.870 -0.141 0.000 1.085 90 L CA 1.701 56.412 54.840 -0.215 0.000 0.755 90 L CB -0.888 41.082 42.059 -0.148 0.000 0.904 90 L HN 0.348 nan 8.230 nan 0.000 0.435 91 T N -0.651 113.782 114.554 -0.202 0.000 2.737 91 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 91 T C 2.071 176.575 174.700 -0.327 0.000 1.038 91 T CA 1.195 63.186 62.100 -0.181 0.000 1.144 91 T CB -0.086 68.677 68.868 -0.176 0.000 0.866 91 T HN 0.261 nan 8.240 nan 0.000 0.434 92 R N 1.165 121.327 120.500 -0.562 0.000 2.073 92 R HA -0.079 4.260 4.340 -0.000 0.000 0.234 92 R C 3.008 178.553 176.300 -1.259 0.000 1.134 92 R CA 1.754 57.213 56.100 -1.068 0.000 0.952 92 R CB -0.401 29.125 30.300 -1.290 0.000 0.850 92 R HN 0.477 nan 8.270 nan 0.000 0.433 93 S N 0.893 116.065 115.700 -0.880 0.000 2.348 93 S HA -0.119 4.350 4.470 -0.000 0.000 0.221 93 S C 2.300 176.777 174.600 -0.205 0.000 1.033 93 S CA 0.992 58.722 58.200 -0.785 0.000 1.010 93 S CB -0.452 62.253 63.200 -0.825 0.000 0.891 93 S HN 0.376 nan 8.310 nan 0.000 0.442 94 A N 2.056 124.967 122.820 0.152 0.000 1.940 94 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 94 A C 2.382 180.212 177.584 0.409 0.000 1.176 94 A CA 1.694 54.040 52.037 0.515 0.000 0.631 94 A CB -1.716 17.533 19.000 0.415 0.000 0.814 94 A HN 0.648 nan 8.150 nan 0.000 0.446 95 G N -1.627 107.231 108.800 0.097 0.000 2.402 95 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 95 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 95 G C 1.335 176.348 174.900 0.188 0.000 1.162 95 G CA 0.853 45.994 45.100 0.068 0.000 0.777 95 G HN 0.565 nan 8.290 nan 0.000 0.539 96 W N -0.070 121.248 121.300 0.029 0.000 2.388 96 W HA 0.079 4.739 4.660 0.000 0.000 0.294 96 W C 2.174 178.830 176.519 0.227 0.000 1.212 96 W CA -0.056 57.300 57.345 0.018 0.000 1.271 96 W CB -1.224 28.087 29.460 -0.248 0.000 1.126 96 W HN 0.417 nan 8.180 nan 0.000 0.535 97 W N 1.272 122.842 121.300 0.450 0.000 2.381 97 W HA -0.135 4.525 4.660 -0.001 0.000 0.301 97 W C 2.591 179.314 176.519 0.340 0.000 1.205 97 W CA 2.005 59.672 57.345 0.537 0.000 1.285 97 W CB -0.682 29.245 29.460 0.778 0.000 1.133 97 W HN -0.233 nan 8.180 nan 0.000 0.521 98 R N 0.158 120.743 120.500 0.142 0.000 2.152 98 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 98 R C 0.842 177.025 176.300 -0.194 0.000 1.117 98 R CA 1.778 57.725 56.100 -0.255 0.000 0.981 98 R CB -0.415 29.917 30.300 0.052 0.000 0.870 98 R HN 0.069 nan 8.270 nan 0.000 0.451 99 D N -1.158 119.237 120.400 -0.010 0.000 2.325 99 D HA 0.127 4.766 4.640 -0.000 0.000 0.225 99 D C 0.759 177.061 176.300 0.002 0.000 1.096 99 D CA 0.795 54.802 54.000 0.011 0.000 0.844 99 D CB 0.708 41.560 40.800 0.087 0.000 0.925 99 D HN 0.437 nan 8.370 nan 0.000 0.513 100 G N 1.425 110.198 108.800 -0.045 0.000 2.155 100 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.257 100 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.257 100 G C 1.043 176.001 174.900 0.096 0.000 0.983 100 G CA 0.323 45.413 45.100 -0.015 0.000 0.676 100 G HN 0.382 nan 8.290 nan 0.000 0.528 101 K N -1.183 119.324 120.400 0.178 0.000 2.374 101 K HA 0.417 4.737 4.320 -0.000 0.000 0.196 101 K C 0.251 177.092 176.600 0.402 0.000 1.023 101 K CA -0.109 56.291 56.287 0.189 0.000 1.103 101 K CB 0.380 32.925 32.500 0.074 0.000 0.848 101 K HN 0.271 nan 8.250 nan 0.000 0.528 102 F N 0.580 120.703 119.950 0.290 0.000 2.605 102 F HA 0.321 4.848 4.527 -0.000 0.000 0.391 102 F C 0.347 176.523 175.800 0.627 0.000 1.429 102 F CA -1.095 57.164 58.000 0.432 0.000 1.138 102 F CB 0.405 39.725 39.000 0.533 0.000 1.198 102 F HN -0.127 nan 8.300 nan 0.000 0.516 103 G N 1.116 110.180 108.800 0.440 0.000 2.580 103 G HA2 0.323 4.282 3.960 -0.000 0.000 0.278 103 G HA3 0.323 4.282 3.960 -0.000 0.000 0.278 103 G C -1.673 173.321 174.900 0.157 0.000 1.212 103 G CA -1.167 44.130 45.100 0.328 0.000 0.939 103 G HN 0.043 nan 8.290 nan 0.000 0.513 104 P HA -0.104 nan 4.420 nan 0.000 0.217 104 P C 1.051 178.338 177.300 -0.021 0.000 1.148 104 P CA 1.185 64.159 63.100 -0.210 0.000 0.828 104 P CB 0.237 31.740 31.700 -0.329 0.000 0.783 105 D N -1.288 119.110 120.400 -0.004 0.000 2.144 105 D HA -0.095 4.544 4.640 -0.000 0.000 0.199 105 D C 1.957 178.277 176.300 0.033 0.000 0.984 105 D CA 0.889 54.898 54.000 0.015 0.000 0.834 105 D CB -0.674 40.136 40.800 0.017 0.000 0.955 105 D HN 0.014 nan 8.370 nan 0.000 0.465 106 V N 0.649 120.596 119.914 0.055 0.000 2.323 106 V HA -0.176 3.943 4.120 -0.000 0.000 0.244 106 V C 2.292 178.403 176.094 0.029 0.000 1.041 106 V CA 0.826 63.158 62.300 0.054 0.000 1.025 106 V CB -0.222 31.659 31.823 0.098 0.000 0.656 106 V HN 0.084 nan 8.190 nan 0.000 0.451 107 I N 0.092 120.676 120.570 0.023 0.000 2.264 107 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 107 I C 2.548 178.703 176.117 0.063 0.000 1.111 107 I CA 1.484 62.814 61.300 0.050 0.000 1.382 107 I CB -0.733 37.370 38.000 0.172 0.000 1.060 107 I HN 0.210 nan 8.210 nan 0.000 0.418 108 R N 0.493 121.019 120.500 0.043 0.000 2.091 108 R HA -0.195 4.144 4.340 -0.000 0.000 0.238 108 R C 1.960 178.267 176.300 0.011 0.000 1.136 108 R CA 1.529 57.638 56.100 0.016 0.000 0.959 108 R CB -0.011 30.292 30.300 0.004 0.000 0.856 108 R HN 0.291 nan 8.270 nan 0.000 0.437 109 E N -0.142 120.070 120.200 0.020 0.000 2.170 109 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 109 E C 2.094 178.711 176.600 0.029 0.000 0.981 109 E CA 0.675 57.086 56.400 0.018 0.000 0.830 109 E CB -0.087 29.623 29.700 0.018 0.000 0.775 109 E HN 0.194 nan 8.360 nan 0.000 0.470 110 V N 1.843 121.786 119.914 0.048 0.000 2.307 110 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 110 V C 2.451 178.583 176.094 0.062 0.000 1.045 110 V CA 1.843 64.183 62.300 0.067 0.000 1.024 110 V CB -0.876 31.011 31.823 0.106 0.000 0.651 110 V HN 0.240 nan 8.190 nan 0.000 0.449 111 A N -0.173 122.684 122.820 0.061 0.000 1.908 111 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 111 A C 2.409 179.993 177.584 -0.000 0.000 1.181 111 A CA 2.171 54.233 52.037 0.042 0.000 0.627 111 A CB -0.619 18.394 19.000 0.022 0.000 0.818 111 A HN 0.472 nan 8.150 nan 0.000 0.445 112 R N -0.540 119.954 120.500 -0.011 0.000 2.091 112 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 112 R C 2.346 178.642 176.300 -0.005 0.000 1.136 112 R CA 1.489 57.575 56.100 -0.023 0.000 0.959 112 R CB -0.386 29.902 30.300 -0.019 0.000 0.856 112 R HN 0.482 nan 8.270 nan 0.000 0.437 113 A N 0.014 122.841 122.820 0.011 0.000 1.873 113 A HA -0.094 4.225 4.320 -0.000 0.000 0.215 113 A C 2.236 179.836 177.584 0.026 0.000 1.186 113 A CA 1.531 53.579 52.037 0.018 0.000 0.616 113 A CB -0.479 18.536 19.000 0.025 0.000 0.823 113 A HN 0.222 nan 8.150 nan 0.000 0.442 114 V N 0.083 120.019 119.914 0.037 0.000 2.427 114 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 114 V C 2.500 178.621 176.094 0.046 0.000 1.051 114 V CA 1.741 64.070 62.300 0.049 0.000 1.048 114 V CB -0.748 31.115 31.823 0.067 0.000 0.666 114 V HN 0.536 nan 8.190 nan 0.000 0.456 115 L N -0.810 120.430 121.223 0.030 0.000 2.156 115 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 115 L C 2.393 179.272 176.870 0.014 0.000 1.095 115 L CA 0.905 55.758 54.840 0.021 0.000 0.770 115 L CB -0.487 41.555 42.059 -0.029 0.000 0.914 115 L HN 0.333 nan 8.230 nan 0.000 0.439 116 L N 0.285 121.512 121.223 0.006 0.000 2.056 116 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 116 L C 2.492 179.370 176.870 0.013 0.000 1.078 116 L CA 1.808 56.650 54.840 0.003 0.000 0.749 116 L CB -0.661 41.397 42.059 -0.001 0.000 0.901 116 L HN 0.306 nan 8.230 nan 0.000 0.433 117 E N -0.910 119.304 120.200 0.024 0.000 2.085 117 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 117 E C 1.998 178.624 176.600 0.043 0.000 0.994 117 E CA 1.602 58.023 56.400 0.033 0.000 0.801 117 E CB -0.066 29.659 29.700 0.041 0.000 0.743 117 E HN 0.604 nan 8.360 nan 0.000 0.453 118 S N 0.903 116.631 115.700 0.048 0.000 2.353 118 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 118 S C 2.021 176.650 174.600 0.048 0.000 1.035 118 S CA 1.275 59.511 58.200 0.060 0.000 1.025 118 S CB -0.344 62.898 63.200 0.070 0.000 0.902 118 S HN 0.285 nan 8.310 nan 0.000 0.440 119 L N 1.052 122.291 121.223 0.026 0.000 2.043 119 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 119 L C 2.202 179.060 176.870 -0.021 0.000 1.075 119 L CA 1.188 56.027 54.840 -0.001 0.000 0.752 119 L CB -0.613 41.439 42.059 -0.011 0.000 0.891 119 L HN 0.300 nan 8.230 nan 0.000 0.432 120 L N -0.635 120.584 121.223 -0.007 0.000 2.275 120 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 120 L C 2.143 179.019 176.870 0.009 0.000 1.119 120 L CA 0.874 55.705 54.840 -0.016 0.000 0.790 120 L CB -0.715 41.345 42.059 0.001 0.000 0.919 120 L HN 0.305 nan 8.230 nan 0.000 0.443 121 G N -1.394 107.441 108.800 0.059 0.000 3.233 121 G HA2 0.304 4.263 3.960 -0.000 0.000 0.227 121 G HA3 0.304 4.263 3.960 -0.000 0.000 0.227 121 G C 1.205 176.236 174.900 0.220 0.000 1.175 121 G CA 0.398 45.589 45.100 0.152 0.000 0.781 121 G HN 0.443 nan 8.290 nan 0.000 0.542 122 G N 0.025 108.850 108.800 0.041 0.000 2.159 122 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 122 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 122 G C 0.303 175.260 174.900 0.095 0.000 0.977 122 G CA 0.163 45.251 45.100 -0.021 0.000 0.652 122 G HN 0.499 nan 8.290 nan 0.000 0.531 123 I N 1.880 122.505 120.570 0.091 0.000 2.352 123 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 123 I C 1.687 177.838 176.117 0.056 0.000 1.036 123 I CA 0.369 61.721 61.300 0.087 0.000 1.336 123 I CB 1.392 39.447 38.000 0.092 0.000 1.407 123 I HN 0.226 nan 8.210 nan 0.000 0.497 124 T N -0.369 114.217 114.554 0.053 0.000 2.990 124 T HA 0.156 4.506 4.350 -0.000 0.000 0.250 124 T C 0.655 175.390 174.700 0.059 0.000 1.041 124 T CA 0.077 62.202 62.100 0.042 0.000 1.010 124 T CB 0.247 69.133 68.868 0.030 0.000 1.003 124 T HN 0.497 nan 8.240 nan 0.000 0.499 125 T N 1.651 116.237 114.554 0.054 0.000 2.916 125 T HA 0.670 5.020 4.350 -0.000 0.000 0.298 125 T C -1.312 173.419 174.700 0.052 0.000 1.031 125 T CA -0.534 61.598 62.100 0.054 0.000 0.993 125 T CB 2.415 71.269 68.868 -0.023 0.000 1.045 125 T HN 0.046 nan 8.240 nan 0.000 0.454 126 V N 2.041 122.026 119.914 0.118 0.000 2.588 126 V HA 0.799 4.919 4.120 -0.000 0.000 0.304 126 V C -0.280 175.813 176.094 -0.001 0.000 1.042 126 V CA -0.994 61.373 62.300 0.113 0.000 0.877 126 V CB 1.843 33.814 31.823 0.246 0.000 0.996 126 V HN 1.086 nan 8.190 nan 0.000 0.425 127 A N 2.921 125.700 122.820 -0.067 0.000 2.253 127 A HA 0.659 4.979 4.320 -0.000 0.000 0.316 127 A C -0.586 176.956 177.584 -0.071 0.000 1.327 127 A CA -0.332 51.639 52.037 -0.109 0.000 0.917 127 A CB 0.431 19.423 19.000 -0.013 0.000 1.162 127 A HN 0.836 nan 8.150 nan 0.000 0.535 128 D N 1.401 121.716 120.400 -0.141 0.000 2.177 128 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 128 D C -0.173 176.163 176.300 0.061 0.000 1.063 128 D CA 0.073 54.085 54.000 0.021 0.000 0.867 128 D CB 0.962 41.914 40.800 0.254 0.000 1.168 128 D HN 0.497 nan 8.370 nan 0.000 0.445 129 Q N 3.067 122.924 119.800 0.094 0.000 2.508 129 Q HA 0.142 4.482 4.340 -0.000 0.000 0.247 129 Q C -1.236 174.967 176.000 0.339 0.000 1.047 129 Q CA -0.860 55.074 55.803 0.218 0.000 0.783 129 Q CB 0.355 29.229 28.738 0.228 0.000 1.172 129 Q HN 0.595 nan 8.270 nan 0.000 0.515 130 H N 3.912 123.075 119.070 0.155 0.000 2.899 130 H HA 0.093 4.649 4.556 -0.000 0.000 0.303 130 H C 0.099 175.264 175.328 -0.272 0.000 1.042 130 H CA 0.434 56.486 56.048 0.007 0.000 1.479 130 H CB 0.523 30.237 29.762 -0.080 0.000 1.493 130 H HN 0.707 nan 8.280 nan 0.000 0.534 131 L N 5.227 126.002 121.223 -0.746 0.000 2.640 131 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 131 L C -0.230 176.119 176.870 -0.869 0.000 1.123 131 L CA -0.109 54.364 54.840 -0.611 0.000 0.900 131 L CB 0.178 42.053 42.059 -0.306 0.000 1.146 131 L HN 0.488 nan 8.230 nan 0.000 0.484 132 F N 0.638 119.585 119.950 -1.673 0.000 2.311 132 F HA 0.418 4.944 4.527 -0.001 0.000 0.371 132 F C -0.724 174.617 175.800 -0.765 0.000 1.083 132 F CA -0.993 56.304 58.000 -1.173 0.000 1.113 132 F CB 0.622 38.841 39.000 -1.303 0.000 1.349 132 F HN -0.185 nan 8.300 nan 0.000 0.470 133 F N 7.003 126.656 119.950 -0.496 0.000 2.471 133 F HA 0.367 4.893 4.527 -0.000 0.000 0.318 133 F C -2.256 173.283 175.800 -0.435 0.000 1.308 133 F CA -3.177 54.633 58.000 -0.317 0.000 1.162 133 F CB -0.043 38.910 39.000 -0.078 0.000 1.383 133 F HN 0.234 nan 8.300 nan 0.000 0.552 134 P HA 0.258 nan 4.420 nan 0.000 0.269 134 P C 0.417 177.275 177.300 -0.737 0.000 1.209 134 P CA 0.496 62.878 63.100 -1.196 0.000 0.776 134 P CB 1.166 31.467 31.700 -2.331 0.000 0.876 135 G N 1.762 110.197 108.800 -0.609 0.000 2.750 135 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.686 135 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.686 135 G C 0.965 175.766 174.900 -0.165 0.000 1.395 135 G CA -0.230 44.732 45.100 -0.229 0.000 0.918 135 G HN 0.570 nan 8.290 nan 0.000 0.594 136 A N 0.758 123.517 122.820 -0.101 0.000 2.042 136 A HA 0.176 4.495 4.320 -0.000 0.000 0.222 136 A C 1.704 179.230 177.584 -0.097 0.000 1.167 136 A CA 2.498 54.484 52.037 -0.084 0.000 0.649 136 A CB -0.249 18.718 19.000 -0.054 0.000 0.809 136 A HN 1.707 nan 8.150 nan 0.000 0.457 137 T N 1.132 115.632 114.554 -0.090 0.000 2.781 137 T HA 0.546 4.896 4.350 -0.000 0.000 0.305 137 T C 0.036 174.643 174.700 -0.155 0.000 1.001 137 T CA 0.157 62.184 62.100 -0.121 0.000 0.950 137 T CB 1.070 69.894 68.868 -0.072 0.000 0.955 137 T HN 0.530 nan 8.240 nan 0.000 0.471 138 A N 3.976 126.608 122.820 -0.312 0.000 2.526 138 A HA 0.162 4.481 4.320 -0.000 0.000 0.267 138 A C 0.875 178.309 177.584 -0.250 0.000 1.095 138 A CA -0.271 51.513 52.037 -0.423 0.000 0.775 138 A CB -0.109 18.137 19.000 -1.256 0.000 1.036 138 A HN 0.766 nan 8.150 nan 0.000 0.510 139 D N 1.619 122.025 120.400 0.010 0.000 2.223 139 D HA 0.022 4.662 4.640 -0.000 0.000 0.250 139 D C 1.349 177.617 176.300 -0.054 0.000 1.287 139 D CA 1.003 54.967 54.000 -0.060 0.000 0.977 139 D CB 0.440 41.134 40.800 -0.177 0.000 1.177 139 D HN 0.554 nan 8.370 nan 0.000 0.536 140 S N -0.101 115.533 115.700 -0.110 0.000 2.815 140 S HA 0.047 4.516 4.470 -0.000 0.000 0.254 140 S C 1.161 175.745 174.600 -0.026 0.000 1.197 140 S CA -0.360 57.834 58.200 -0.011 0.000 1.216 140 S CB -0.693 62.503 63.200 -0.006 0.000 0.871 140 S HN 0.356 nan 8.310 nan 0.000 0.473 141 Y N 1.269 121.627 120.300 0.096 0.000 2.181 141 Y HA -0.041 4.509 4.550 -0.000 0.000 0.288 141 Y C 2.212 178.049 175.900 -0.105 0.000 1.146 141 Y CA 0.837 58.890 58.100 -0.078 0.000 1.164 141 Y CB -0.371 37.908 38.460 -0.302 0.000 0.982 141 Y HN 0.365 nan 8.280 nan 0.000 0.515 142 I N 0.296 121.007 120.570 0.235 0.000 2.226 142 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 142 I C 1.599 177.757 176.117 0.069 0.000 1.100 142 I CA 1.480 62.892 61.300 0.188 0.000 1.374 142 I CB -1.439 36.735 38.000 0.291 0.000 1.057 142 I HN 0.232 nan 8.210 nan 0.000 0.413 143 D N 1.481 121.933 120.400 0.087 0.000 2.123 143 D HA -0.151 4.488 4.640 -0.000 0.000 0.196 143 D C 2.309 178.614 176.300 0.009 0.000 0.992 143 D CA 1.587 55.615 54.000 0.046 0.000 0.833 143 D CB -0.181 40.728 40.800 0.182 0.000 0.954 143 D HN 0.340 nan 8.370 nan 0.000 0.455 144 A N 0.592 123.424 122.820 0.020 0.000 1.883 144 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 144 A C 2.373 179.939 177.584 -0.030 0.000 1.186 144 A CA 2.692 54.729 52.037 0.000 0.000 0.624 144 A CB -1.400 17.606 19.000 0.011 0.000 0.822 144 A HN 0.413 nan 8.150 nan 0.000 0.444 145 T N -1.642 112.903 114.554 -0.014 0.000 2.821 145 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 145 T C 1.813 176.341 174.700 -0.285 0.000 1.046 145 T CA 1.446 63.505 62.100 -0.069 0.000 1.139 145 T CB -0.561 68.392 68.868 0.142 0.000 0.871 145 T HN 0.357 nan 8.240 nan 0.000 0.454 146 I N 1.362 121.836 120.570 -0.160 0.000 2.315 146 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 146 I C 2.906 178.910 176.117 -0.188 0.000 1.117 146 I CA 1.568 62.738 61.300 -0.217 0.000 1.404 146 I CB -0.416 37.399 38.000 -0.308 0.000 1.071 146 I HN 0.391 nan 8.210 nan 0.000 0.419 147 E N 1.488 121.622 120.200 -0.109 0.000 2.051 147 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 147 E C 2.285 178.831 176.600 -0.091 0.000 0.991 147 E CA 1.474 57.843 56.400 -0.052 0.000 0.799 147 E CB -0.024 29.669 29.700 -0.011 0.000 0.748 147 E HN 0.472 nan 8.360 nan 0.000 0.449 148 A N 1.150 123.890 122.820 -0.133 0.000 1.902 148 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 148 A C 2.408 179.879 177.584 -0.188 0.000 1.181 148 A CA 1.879 53.834 52.037 -0.137 0.000 0.623 148 A CB -0.841 18.081 19.000 -0.131 0.000 0.818 148 A HN 0.429 nan 8.150 nan 0.000 0.443 149 A N -0.245 122.369 122.820 -0.344 0.000 1.902 149 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 149 A C 2.458 179.947 177.584 -0.158 0.000 1.181 149 A CA 2.603 54.424 52.037 -0.361 0.000 0.623 149 A CB -1.422 17.106 19.000 -0.787 0.000 0.818 149 A HN 0.777 nan 8.150 nan 0.000 0.443 150 T N -2.363 112.122 114.554 -0.116 0.000 2.821 150 T HA -0.132 4.217 4.350 -0.000 0.000 0.267 150 T C 1.340 176.024 174.700 -0.027 0.000 1.046 150 T CA 1.478 63.558 62.100 -0.033 0.000 1.139 150 T CB -0.469 68.403 68.868 0.007 0.000 0.871 150 T HN 0.337 nan 8.240 nan 0.000 0.454 151 D N 1.470 121.846 120.400 -0.040 0.000 2.144 151 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 151 D C 2.036 178.319 176.300 -0.029 0.000 0.984 151 D CA 0.828 54.811 54.000 -0.028 0.000 0.834 151 D CB -0.281 40.500 40.800 -0.031 0.000 0.955 151 D HN 0.389 nan 8.370 nan 0.000 0.465 152 L N -0.845 120.353 121.223 -0.042 0.000 2.270 152 L HA 0.114 4.454 4.340 -0.000 0.000 0.210 152 L C 1.613 178.470 176.870 -0.023 0.000 1.104 152 L CA 0.725 55.545 54.840 -0.034 0.000 0.804 152 L CB -0.097 41.936 42.059 -0.044 0.000 0.937 152 L HN 0.176 nan 8.230 nan 0.000 0.450 153 G N 0.813 109.602 108.800 -0.018 0.000 2.132 153 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.234 153 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.234 153 G C 0.131 175.037 174.900 0.011 0.000 0.989 153 G CA 0.049 45.148 45.100 -0.002 0.000 0.676 153 G HN 0.282 nan 8.290 nan 0.000 0.522 154 I N 0.602 121.177 120.570 0.010 0.000 2.519 154 I HA 0.488 4.658 4.170 -0.000 0.000 0.287 154 I C 1.068 177.245 176.117 0.099 0.000 1.047 154 I CA -1.094 60.232 61.300 0.043 0.000 1.381 154 I CB 0.552 38.575 38.000 0.038 0.000 1.417 154 I HN 0.211 nan 8.210 nan 0.000 0.540 155 R N 5.885 126.461 120.500 0.127 0.000 2.543 155 R HA 0.238 4.577 4.340 -0.000 0.000 0.277 155 R C -1.642 174.844 176.300 0.310 0.000 1.074 155 R CA 0.054 56.263 56.100 0.182 0.000 1.076 155 R CB 0.575 30.958 30.300 0.138 0.000 0.993 155 R HN 0.529 nan 8.270 nan 0.000 0.459 156 F N 3.577 123.611 119.950 0.139 0.000 2.588 156 F HA 0.338 4.865 4.527 -0.001 0.000 0.318 156 F C -1.169 174.784 175.800 0.255 0.000 1.155 156 F CA -0.577 57.514 58.000 0.151 0.000 0.967 156 F CB 1.499 40.540 39.000 0.068 0.000 1.236 156 F HN 0.556 nan 8.300 nan 0.000 0.455 157 H N 3.988 122.732 119.070 -0.542 0.000 2.489 157 H HA 0.755 5.311 4.556 -0.000 0.000 0.343 157 H C -0.907 173.964 175.328 -0.763 0.000 1.086 157 H CA -1.148 54.626 56.048 -0.456 0.000 1.198 157 H CB 1.958 31.593 29.762 -0.212 0.000 1.490 157 H HN 0.705 nan 8.280 nan 0.000 0.504 158 A N 2.644 125.238 122.820 -0.378 0.000 2.277 158 A HA 0.558 4.878 4.320 -0.000 0.000 0.318 158 A C -0.017 177.552 177.584 -0.025 0.000 1.339 158 A CA -0.646 51.242 52.037 -0.248 0.000 0.875 158 A CB 0.288 19.239 19.000 -0.083 0.000 1.158 158 A HN 0.766 nan 8.150 nan 0.000 0.514 159 A N 3.577 126.426 122.820 0.050 0.000 2.415 159 A HA 0.458 4.778 4.320 -0.000 0.000 0.309 159 A C 0.629 178.297 177.584 0.141 0.000 1.356 159 A CA -0.545 51.555 52.037 0.105 0.000 0.998 159 A CB -0.089 19.008 19.000 0.161 0.000 1.145 159 A HN 0.722 nan 8.150 nan 0.000 0.545 160 R N 2.526 123.095 120.500 0.115 0.000 2.404 160 R HA 0.140 4.480 4.340 -0.000 0.000 0.315 160 R C 0.123 176.599 176.300 0.293 0.000 1.032 160 R CA 0.533 56.775 56.100 0.237 0.000 0.992 160 R CB 0.260 30.659 30.300 0.165 0.000 0.959 160 R HN 0.704 nan 8.270 nan 0.000 0.428 161 S N 1.739 117.674 115.700 0.391 0.000 2.758 161 S HA 0.707 5.176 4.470 -0.000 0.000 0.292 161 S C -0.822 174.019 174.600 0.402 0.000 1.131 161 S CA -0.091 58.300 58.200 0.317 0.000 0.997 161 S CB 0.893 64.206 63.200 0.189 0.000 1.111 161 S HN 0.776 nan 8.310 nan 0.000 0.552 162 S N 0.479 116.336 115.700 0.261 0.000 2.615 162 S HA 0.553 5.023 4.470 -0.000 0.000 0.268 162 S C -1.369 173.309 174.600 0.130 0.000 1.146 162 S CA -0.906 57.434 58.200 0.234 0.000 0.818 162 S CB 0.867 64.180 63.200 0.189 0.000 1.111 162 S HN 0.605 nan 8.310 nan 0.000 0.465 163 M N 2.312 121.986 119.600 0.123 0.000 2.400 163 M HA 0.222 4.701 4.480 -0.000 0.000 0.241 163 M C 0.606 176.975 176.300 0.116 0.000 1.158 163 M CA -0.347 55.023 55.300 0.117 0.000 0.613 163 M CB 1.319 33.972 32.600 0.087 0.000 1.615 163 M HN 0.997 nan 8.290 nan 0.000 0.371 164 T N -1.455 113.148 114.554 0.081 0.000 3.088 164 T HA 0.088 4.438 4.350 -0.000 0.000 0.259 164 T C 0.493 175.229 174.700 0.060 0.000 1.122 164 T CA 0.208 62.335 62.100 0.045 0.000 1.095 164 T CB 0.220 69.077 68.868 -0.018 0.000 0.930 164 T HN 0.374 nan 8.240 nan 0.000 0.508 165 L N 2.856 124.140 121.223 0.101 0.000 2.270 165 L HA 0.693 5.032 4.340 -0.000 0.000 0.286 165 L C 0.374 177.297 176.870 0.089 0.000 1.059 165 L CA -0.919 53.977 54.840 0.092 0.000 0.839 165 L CB 0.153 42.286 42.059 0.122 0.000 1.221 165 L HN 0.213 nan 8.230 nan 0.000 0.431 166 G N 3.475 112.304 108.800 0.050 0.000 2.476 166 G HA2 0.259 4.218 3.960 -0.000 0.000 0.269 166 G HA3 0.259 4.218 3.960 -0.000 0.000 0.269 166 G C 0.530 175.427 174.900 -0.006 0.000 1.195 166 G CA -0.355 44.771 45.100 0.043 0.000 0.843 166 G HN 0.842 nan 8.290 nan 0.000 0.545 167 K N -0.320 120.078 120.400 -0.003 0.000 2.442 167 K HA -0.089 4.230 4.320 -0.000 0.000 0.198 167 K C 1.950 178.513 176.600 -0.060 0.000 1.042 167 K CA 1.433 57.682 56.287 -0.064 0.000 0.958 167 K CB -0.018 32.468 32.500 -0.024 0.000 0.766 167 K HN 0.395 nan 8.250 nan 0.000 0.474 168 S N 1.361 117.043 115.700 -0.031 0.000 2.547 168 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 168 S C 0.582 175.157 174.600 -0.042 0.000 0.980 168 S CA 0.632 58.814 58.200 -0.030 0.000 0.941 168 S CB -0.485 62.705 63.200 -0.017 0.000 0.763 168 S HN 0.687 nan 8.310 nan 0.000 0.532 169 E N -1.034 119.130 120.200 -0.059 0.000 4.230 169 E HA 0.496 4.845 4.350 -0.000 0.000 0.218 169 E C 0.593 177.128 176.600 -0.109 0.000 1.140 169 E CA -0.376 55.983 56.400 -0.067 0.000 1.405 169 E CB 0.041 29.715 29.700 -0.043 0.000 1.193 169 E HN 0.281 nan 8.360 nan 0.000 0.423 170 G N 0.061 108.769 108.800 -0.152 0.000 2.179 170 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 170 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 170 G C 0.596 175.262 174.900 -0.389 0.000 0.977 170 G CA -0.098 44.862 45.100 -0.233 0.000 0.641 170 G HN 0.763 nan 8.290 nan 0.000 0.533 171 G N -1.194 107.417 108.800 -0.316 0.000 2.509 171 G HA2 0.591 4.551 3.960 -0.000 0.000 0.269 171 G HA3 0.591 4.551 3.960 -0.000 0.000 0.269 171 G C 0.319 174.880 174.900 -0.566 0.000 1.416 171 G CA -0.221 44.675 45.100 -0.340 0.000 1.052 171 G HN 0.344 nan 8.290 nan 0.000 0.542 172 F N -1.224 118.768 119.950 0.070 0.000 2.798 172 F HA 0.270 4.796 4.527 -0.001 0.000 0.328 172 F C 0.597 176.481 175.800 0.141 0.000 1.098 172 F CA -0.886 57.173 58.000 0.098 0.000 1.172 172 F CB 0.306 39.370 39.000 0.107 0.000 1.072 172 F HN 0.151 nan 8.300 nan 0.000 0.555 173 C N 1.323 120.788 119.300 0.277 0.000 2.330 173 C HA 0.410 4.870 4.460 -0.000 0.000 0.344 173 C C 0.276 175.379 174.990 0.187 0.000 1.273 173 C CA -1.307 57.848 59.018 0.229 0.000 1.879 173 C CB -0.102 27.769 27.740 0.218 0.000 2.376 173 C HN 0.231 nan 8.230 nan 0.000 0.534 174 D N 1.522 122.060 120.400 0.230 0.000 2.443 174 D HA 0.038 4.678 4.640 -0.000 0.000 0.234 174 D C 0.666 177.050 176.300 0.140 0.000 1.172 174 D CA 0.486 54.601 54.000 0.192 0.000 0.878 174 D CB 0.522 41.476 40.800 0.257 0.000 1.204 174 D HN 0.522 nan 8.370 nan 0.000 0.453 175 D N 0.478 120.900 120.400 0.037 0.000 2.371 175 D HA -0.077 4.563 4.640 -0.000 0.000 0.221 175 D C 1.704 177.944 176.300 -0.099 0.000 0.986 175 D CA 0.067 54.062 54.000 -0.009 0.000 0.899 175 D CB 0.081 40.870 40.800 -0.018 0.000 0.902 175 D HN 0.247 nan 8.370 nan 0.000 0.530 176 L N -0.531 120.550 121.223 -0.237 0.000 2.201 176 L HA -0.058 4.281 4.340 -0.000 0.000 0.212 176 L C 0.699 177.163 176.870 -0.677 0.000 1.105 176 L CA 1.342 55.858 54.840 -0.540 0.000 0.775 176 L CB -0.265 41.293 42.059 -0.835 0.000 0.913 176 L HN -0.002 nan 8.230 nan 0.000 0.440 177 F N -1.414 118.471 119.950 -0.108 0.000 2.678 177 F HA 0.179 4.706 4.527 -0.001 0.000 0.305 177 F C 0.781 176.552 175.800 -0.048 0.000 1.090 177 F CA -0.401 57.531 58.000 -0.115 0.000 1.272 177 F CB 0.102 39.032 39.000 -0.117 0.000 1.060 177 F HN -0.323 nan 8.300 nan 0.000 0.576 178 V N 2.049 122.013 119.914 0.084 0.000 2.408 178 V HA 0.169 4.289 4.120 -0.000 0.000 0.267 178 V C -0.121 175.984 176.094 0.018 0.000 1.047 178 V CA -0.667 61.672 62.300 0.065 0.000 0.937 178 V CB 0.586 32.440 31.823 0.052 0.000 0.999 178 V HN 0.183 nan 8.190 nan 0.000 0.472 179 E N 6.259 126.470 120.200 0.019 0.000 2.202 179 E HA 0.460 4.809 4.350 -0.000 0.000 0.272 179 E C -2.633 173.959 176.600 -0.013 0.000 0.951 179 E CA -2.130 54.262 56.400 -0.012 0.000 0.813 179 E CB 1.367 31.050 29.700 -0.027 0.000 1.151 179 E HN 0.441 nan 8.360 nan 0.000 0.398 180 P HA -0.081 nan 4.420 nan 0.000 0.266 180 P C 0.761 178.042 177.300 -0.031 0.000 1.195 180 P CA -0.006 63.081 63.100 -0.021 0.000 0.768 180 P CB 0.639 32.328 31.700 -0.019 0.000 0.838 181 V N 2.266 122.154 119.914 -0.043 0.000 2.282 181 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 181 V C 1.764 177.826 176.094 -0.053 0.000 1.057 181 V CA 2.128 64.383 62.300 -0.075 0.000 1.032 181 V CB -0.868 30.901 31.823 -0.089 0.000 0.645 181 V HN 0.613 nan 8.190 nan 0.000 0.447 182 D N -0.769 119.614 120.400 -0.027 0.000 2.178 182 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 182 D C 2.305 178.609 176.300 0.006 0.000 0.980 182 D CA 1.204 55.201 54.000 -0.006 0.000 0.842 182 D CB -0.194 40.606 40.800 -0.000 0.000 0.948 182 D HN 0.404 nan 8.370 nan 0.000 0.472 183 R N 0.658 121.156 120.500 -0.003 0.000 2.075 183 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 183 R C 2.159 178.475 176.300 0.026 0.000 1.126 183 R CA 0.821 56.921 56.100 0.000 0.000 0.963 183 R CB -0.072 30.213 30.300 -0.026 0.000 0.858 183 R HN -0.023 nan 8.270 nan 0.000 0.435 184 V N 0.327 120.257 119.914 0.026 0.000 2.295 184 V HA -0.213 3.906 4.120 -0.000 0.000 0.246 184 V C 2.394 178.584 176.094 0.160 0.000 1.049 184 V CA 1.583 63.938 62.300 0.091 0.000 1.024 184 V CB -0.283 31.577 31.823 0.061 0.000 0.648 184 V HN 0.180 nan 8.190 nan 0.000 0.447 185 V N -0.385 119.594 119.914 0.108 0.000 2.332 185 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 185 V C 2.473 178.628 176.094 0.103 0.000 1.055 185 V CA 2.272 64.659 62.300 0.146 0.000 1.038 185 V CB -0.728 31.143 31.823 0.080 0.000 0.651 185 V HN 0.579 nan 8.190 nan 0.000 0.450 186 Q N -1.224 118.622 119.800 0.077 0.000 2.079 186 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 186 Q C 2.328 178.375 176.000 0.079 0.000 0.974 186 Q CA 1.734 57.573 55.803 0.059 0.000 0.840 186 Q CB -0.307 28.459 28.738 0.047 0.000 0.898 186 Q HN 0.762 nan 8.270 nan 0.000 0.430 187 H N -0.535 118.534 119.070 -0.002 0.000 2.352 187 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 187 H C 1.829 177.162 175.328 0.007 0.000 1.097 187 H CA 1.347 57.389 56.048 -0.011 0.000 1.311 187 H CB 0.185 29.917 29.762 -0.050 0.000 1.377 187 H HN 0.352 nan 8.280 nan 0.000 0.504 188 C N 0.664 119.936 119.300 -0.046 0.000 2.429 188 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 188 C C 3.043 177.924 174.990 -0.181 0.000 1.262 188 C CA 0.624 59.568 59.018 -0.123 0.000 1.733 188 C CB -1.030 26.708 27.740 -0.003 0.000 2.010 188 C HN 0.508 nan 8.230 nan 0.000 0.483 189 L N 0.749 121.888 121.223 -0.140 0.000 2.083 189 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 189 L C 2.794 179.570 176.870 -0.156 0.000 1.083 189 L CA 1.674 56.391 54.840 -0.206 0.000 0.752 189 L CB -1.065 40.921 42.059 -0.121 0.000 0.899 189 L HN 0.506 nan 8.230 nan 0.000 0.433 190 G N -0.003 108.736 108.800 -0.102 0.000 2.408 190 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 190 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 190 G C 1.639 176.484 174.900 -0.091 0.000 1.150 190 G CA 0.424 45.479 45.100 -0.074 0.000 0.776 190 G HN 0.208 nan 8.290 nan 0.000 0.542 191 L N 0.035 121.178 121.223 -0.132 0.000 2.056 191 L HA 0.019 4.358 4.340 -0.000 0.000 0.207 191 L C 2.848 179.740 176.870 0.036 0.000 1.078 191 L CA 0.620 55.457 54.840 -0.005 0.000 0.749 191 L CB -0.335 41.664 42.059 -0.101 0.000 0.901 191 L HN 0.185 nan 8.230 nan 0.000 0.433 192 I N -0.152 120.363 120.570 -0.092 0.000 2.163 192 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 192 I C 2.306 178.415 176.117 -0.014 0.000 1.085 192 I CA 1.447 62.686 61.300 -0.102 0.000 1.347 192 I CB -0.382 37.408 38.000 -0.350 0.000 1.044 192 I HN 0.314 nan 8.210 nan 0.000 0.408 193 D N 0.508 120.872 120.400 -0.060 0.000 2.104 193 D HA -0.274 4.365 4.640 -0.000 0.000 0.194 193 D C 2.148 178.415 176.300 -0.055 0.000 0.994 193 D CA 1.617 55.598 54.000 -0.031 0.000 0.830 193 D CB -0.060 40.714 40.800 -0.044 0.000 0.959 193 D HN 0.364 nan 8.370 nan 0.000 0.452 194 Q N -1.997 117.724 119.800 -0.133 0.000 2.137 194 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 194 Q C 1.203 176.997 176.000 -0.343 0.000 0.960 194 Q CA 1.016 56.624 55.803 -0.324 0.000 0.847 194 Q CB 0.092 28.476 28.738 -0.590 0.000 0.915 194 Q HN 0.356 nan 8.270 nan 0.000 0.448 195 Y N -1.890 118.429 120.300 0.033 0.000 2.526 195 Y HA 0.194 4.744 4.550 -0.000 0.000 0.265 195 Y C 0.127 176.062 175.900 0.059 0.000 1.092 195 Y CA -0.383 57.745 58.100 0.047 0.000 1.277 195 Y CB 0.202 38.695 38.460 0.055 0.000 1.228 195 Y HN 0.123 nan 8.280 nan 0.000 0.507 196 H N 2.300 121.433 119.070 0.105 0.000 2.848 196 H HA 0.184 4.740 4.556 -0.000 0.000 0.317 196 H C -0.535 174.809 175.328 0.026 0.000 1.046 196 H CA 0.228 56.298 56.048 0.036 0.000 1.470 196 H CB 0.426 30.188 29.762 0.001 0.000 1.483 196 H HN 0.199 nan 8.280 nan 0.000 0.548 197 E N 7.667 127.617 120.200 -0.417 0.000 2.267 197 E HA 0.124 4.474 4.350 -0.000 0.000 0.241 197 E C -1.928 174.415 176.600 -0.429 0.000 0.950 197 E CA -1.781 54.446 56.400 -0.289 0.000 0.776 197 E CB 1.267 30.891 29.700 -0.126 0.000 1.207 197 E HN 0.653 nan 8.360 nan 0.000 0.436 198 P HA -0.142 nan 4.420 nan 0.000 0.231 198 P C 0.188 177.413 177.300 -0.126 0.000 1.168 198 P CA 0.656 63.622 63.100 -0.224 0.000 0.779 198 P CB 0.197 31.899 31.700 0.004 0.000 0.844 199 E N 1.530 121.664 120.200 -0.111 0.000 2.408 199 E HA 0.121 4.471 4.350 -0.000 0.000 0.259 199 E C -2.401 174.105 176.600 -0.158 0.000 1.110 199 E CA -2.193 54.145 56.400 -0.104 0.000 0.929 199 E CB -0.925 28.738 29.700 -0.063 0.000 0.971 199 E HN 0.077 nan 8.360 nan 0.000 0.438 200 P HA -0.058 nan 4.420 nan 0.000 0.266 200 P C -0.545 176.471 177.300 -0.474 0.000 1.195 200 P CA 0.094 62.873 63.100 -0.534 0.000 0.768 200 P CB -0.090 31.099 31.700 -0.853 0.000 0.838 201 F N -0.988 118.958 119.950 -0.006 0.000 2.840 201 F HA -0.170 4.357 4.527 -0.001 0.000 0.310 201 F C 1.249 177.046 175.800 -0.005 0.000 0.688 201 F CA 0.748 58.747 58.000 -0.000 0.000 1.286 201 F CB -2.705 36.295 39.000 0.001 0.000 1.612 201 F HN 0.423 nan 8.300 nan 0.000 0.335 202 G N 0.775 109.619 108.800 0.073 0.000 2.353 202 G HA2 0.272 4.232 3.960 -0.000 0.000 0.239 202 G HA3 0.272 4.232 3.960 -0.000 0.000 0.239 202 G C 0.921 175.849 174.900 0.047 0.000 1.295 202 G CA -0.141 44.968 45.100 0.014 0.000 0.884 202 G HN 0.181 nan 8.290 nan 0.000 0.537 203 M N 1.282 120.913 119.600 0.051 0.000 2.492 203 M HA 0.146 4.626 4.480 -0.000 0.000 0.255 203 M C 0.200 176.559 176.300 0.099 0.000 1.139 203 M CA 0.606 55.958 55.300 0.086 0.000 1.096 203 M CB 0.490 33.140 32.600 0.083 0.000 1.360 203 M HN 0.194 nan 8.290 nan 0.000 0.480 204 V N 1.165 121.103 119.914 0.040 0.000 2.577 204 V HA 0.473 4.593 4.120 -0.000 0.000 0.303 204 V C -0.361 175.660 176.094 -0.122 0.000 1.042 204 V CA -0.842 61.484 62.300 0.043 0.000 0.872 204 V CB 2.744 34.642 31.823 0.124 0.000 0.998 204 V HN 0.223 nan 8.190 nan 0.000 0.423 205 R N 4.092 124.429 120.500 -0.271 0.000 2.744 205 R HA 0.664 5.004 4.340 -0.000 0.000 0.279 205 R C -1.534 174.706 176.300 -0.100 0.000 0.977 205 R CA -0.941 54.981 56.100 -0.297 0.000 0.906 205 R CB 2.613 32.471 30.300 -0.736 0.000 1.197 205 R HN 0.448 nan 8.270 nan 0.000 0.463 206 I N 1.686 122.377 120.570 0.202 0.000 2.392 206 I HA 0.494 4.663 4.170 -0.000 0.000 0.295 206 I C 0.287 176.377 176.117 -0.044 0.000 0.985 206 I CA -0.451 60.853 61.300 0.008 0.000 1.221 206 I CB 1.313 39.284 38.000 -0.048 0.000 1.366 206 I HN 0.698 nan 8.210 nan 0.000 0.467 207 A N 6.978 129.793 122.820 -0.009 0.000 2.430 207 A HA 0.893 5.212 4.320 -0.000 0.000 0.300 207 A C -0.937 176.579 177.584 -0.113 0.000 1.124 207 A CA -0.654 51.394 52.037 0.017 0.000 0.766 207 A CB 1.570 20.725 19.000 0.259 0.000 1.328 207 A HN 0.626 nan 8.150 nan 0.000 0.424 208 L N 1.116 122.200 121.223 -0.232 0.000 2.280 208 L HA 0.634 4.974 4.340 -0.000 0.000 0.287 208 L C 0.472 177.211 176.870 -0.220 0.000 1.023 208 L CA -0.359 54.142 54.840 -0.564 0.000 0.819 208 L CB 1.750 43.104 42.059 -1.175 0.000 1.212 208 L HN 0.838 nan 8.230 nan 0.000 0.420 209 G N 3.410 112.188 108.800 -0.036 0.000 4.465 209 G HA2 0.463 4.422 3.960 -0.000 0.000 0.330 209 G HA3 0.463 4.422 3.960 -0.000 0.000 0.330 209 G C -2.789 172.228 174.900 0.195 0.000 1.475 209 G CA -1.078 44.103 45.100 0.136 0.000 0.955 209 G HN 0.261 nan 8.290 nan 0.000 0.516 210 P HA 0.010 nan 4.420 nan 0.000 0.266 210 P C 1.303 178.660 177.300 0.096 0.000 1.193 210 P CA -0.394 62.727 63.100 0.034 0.000 0.770 210 P CB 1.237 32.627 31.700 -0.517 0.000 0.836 211 C N 2.552 121.941 119.300 0.148 0.000 2.413 211 C HA 0.161 4.621 4.460 -0.000 0.000 0.276 211 C C 1.189 176.435 174.990 0.427 0.000 1.248 211 C CA 1.933 61.094 59.018 0.239 0.000 1.742 211 C CB -1.727 26.040 27.740 0.045 0.000 2.017 211 C HN 0.768 nan 8.230 nan 0.000 0.481 212 G N -2.499 106.567 108.800 0.442 0.000 2.316 212 G HA2 0.316 4.276 3.960 -0.000 0.000 0.296 212 G HA3 0.316 4.276 3.960 -0.000 0.000 0.296 212 G C 0.064 175.148 174.900 0.308 0.000 1.399 212 G CA 0.138 45.505 45.100 0.445 0.000 0.833 212 G HN 0.102 nan 8.290 nan 0.000 0.565 213 V N 0.671 120.590 119.914 0.008 0.000 2.332 213 V HA -0.076 4.043 4.120 -0.000 0.000 0.248 213 V C -0.112 175.750 176.094 -0.386 0.000 1.055 213 V CA 2.629 64.673 62.300 -0.426 0.000 1.038 213 V CB -0.924 30.509 31.823 -0.650 0.000 0.651 213 V HN 0.583 nan 8.190 nan 0.000 0.450 214 P HA -0.044 nan 4.420 nan 0.000 0.233 214 P C 0.551 177.591 177.300 -0.434 0.000 1.167 214 P CA 1.207 63.954 63.100 -0.588 0.000 0.770 214 P CB -0.056 30.948 31.700 -1.159 0.000 0.837 215 Y N -2.288 118.086 120.300 0.122 0.000 2.426 215 Y HA 0.297 4.847 4.550 -0.001 0.000 0.249 215 Y C 0.552 176.524 175.900 0.119 0.000 1.103 215 Y CA -0.495 57.688 58.100 0.139 0.000 1.256 215 Y CB 0.384 38.896 38.460 0.086 0.000 1.208 215 Y HN -0.145 nan 8.280 nan 0.000 0.519 216 D N 0.520 121.071 120.400 0.252 0.000 2.671 216 D HA 0.246 4.886 4.640 -0.000 0.000 0.232 216 D C -0.769 175.675 176.300 0.240 0.000 1.114 216 D CA -0.651 53.453 54.000 0.173 0.000 0.858 216 D CB 2.237 43.022 40.800 -0.026 0.000 1.544 216 D HN -0.023 nan 8.370 nan 0.000 0.471 217 K N 1.554 122.030 120.400 0.127 0.000 2.355 217 K HA 0.113 4.432 4.320 -0.000 0.000 0.270 217 K C -1.570 175.134 176.600 0.172 0.000 1.003 217 K CA -1.147 55.222 56.287 0.137 0.000 0.957 217 K CB 0.767 33.292 32.500 0.041 0.000 0.939 217 K HN 0.057 nan 8.250 nan 0.000 0.482 218 P HA -0.185 nan 4.420 nan 0.000 0.217 218 P C 0.311 177.470 177.300 -0.234 0.000 1.148 218 P CA 1.336 64.191 63.100 -0.409 0.000 0.828 218 P CB 0.262 31.471 31.700 -0.818 0.000 0.783 219 E N -0.971 119.162 120.200 -0.111 0.000 2.150 219 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 219 E C 1.832 178.368 176.600 -0.107 0.000 0.985 219 E CA 0.606 56.961 56.400 -0.075 0.000 0.814 219 E CB -0.965 28.705 29.700 -0.050 0.000 0.752 219 E HN 0.147 nan 8.360 nan 0.000 0.466 220 L N -0.456 120.660 121.223 -0.178 0.000 2.027 220 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 220 L C 1.715 178.332 176.870 -0.421 0.000 1.074 220 L CA 1.555 56.137 54.840 -0.431 0.000 0.745 220 L CB -0.380 41.348 42.059 -0.551 0.000 0.898 220 L HN 0.052 nan 8.230 nan 0.000 0.433 221 F N 0.523 120.338 119.950 -0.226 0.000 2.120 221 F HA -0.243 4.283 4.527 -0.000 0.000 0.300 221 F C 2.487 178.420 175.800 0.222 0.000 1.095 221 F CA 2.007 59.951 58.000 -0.093 0.000 1.249 221 F CB -0.574 38.160 39.000 -0.444 0.000 0.995 221 F HN 0.202 nan 8.300 nan 0.000 0.480 222 E N -0.079 120.260 120.200 0.231 0.000 2.072 222 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 222 E C 2.427 179.140 176.600 0.189 0.000 0.985 222 E CA 0.921 57.449 56.400 0.214 0.000 0.801 222 E CB -0.370 29.403 29.700 0.121 0.000 0.750 222 E HN 0.388 nan 8.360 nan 0.000 0.452 223 A N 1.053 123.930 122.820 0.096 0.000 1.902 223 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 223 A C 1.863 179.611 177.584 0.272 0.000 1.181 223 A CA 1.082 53.179 52.037 0.099 0.000 0.623 223 A CB -0.547 18.436 19.000 -0.029 0.000 0.818 223 A HN 0.142 nan 8.150 nan 0.000 0.443 224 F N 0.127 120.189 119.950 0.186 0.000 2.146 224 F HA -0.032 4.495 4.527 -0.001 0.000 0.298 224 F C 2.848 178.747 175.800 0.165 0.000 1.096 224 F CA 0.206 58.328 58.000 0.203 0.000 1.275 224 F CB -1.226 37.976 39.000 0.337 0.000 1.008 224 F HN 0.286 nan 8.300 nan 0.000 0.480 225 A N -0.592 122.491 122.820 0.438 0.000 1.940 225 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 225 A C 2.270 179.933 177.584 0.131 0.000 1.176 225 A CA 1.704 53.855 52.037 0.191 0.000 0.631 225 A CB -0.693 18.453 19.000 0.245 0.000 0.814 225 A HN 0.315 nan 8.150 nan 0.000 0.446 226 Q N -0.415 119.488 119.800 0.171 0.000 2.046 226 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 226 Q C 2.170 178.260 176.000 0.149 0.000 0.975 226 Q CA 1.804 57.686 55.803 0.131 0.000 0.836 226 Q CB -0.351 28.464 28.738 0.128 0.000 0.896 226 Q HN 0.767 nan 8.270 nan 0.000 0.428 227 M N -0.452 119.271 119.600 0.205 0.000 2.108 227 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 227 M C 2.228 178.646 176.300 0.197 0.000 1.066 227 M CA 1.583 57.029 55.300 0.243 0.000 1.107 227 M CB -0.508 32.207 32.600 0.192 0.000 1.356 227 M HN 0.159 nan 8.290 nan 0.000 0.406 228 A N 0.540 123.414 122.820 0.089 0.000 1.940 228 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 228 A C 2.392 179.993 177.584 0.029 0.000 1.176 228 A CA 2.031 54.077 52.037 0.015 0.000 0.631 228 A CB -0.829 18.127 19.000 -0.074 0.000 0.814 228 A HN 0.514 nan 8.150 nan 0.000 0.446 229 A N -0.211 122.628 122.820 0.033 0.000 1.872 229 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 229 A C 1.793 179.368 177.584 -0.014 0.000 1.187 229 A CA 1.805 53.847 52.037 0.008 0.000 0.614 229 A CB -0.593 18.412 19.000 0.008 0.000 0.826 229 A HN 0.417 nan 8.150 nan 0.000 0.442 230 D N -1.499 118.898 120.400 -0.004 0.000 2.123 230 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 230 D C 0.933 177.014 176.300 -0.365 0.000 0.992 230 D CA 1.499 55.391 54.000 -0.181 0.000 0.833 230 D CB -0.217 40.492 40.800 -0.152 0.000 0.954 230 D HN 0.653 nan 8.370 nan 0.000 0.455 231 Y N -0.656 119.621 120.300 -0.038 0.000 2.481 231 Y HA 0.144 4.694 4.550 -0.001 0.000 0.247 231 Y C 0.100 175.966 175.900 -0.057 0.000 1.151 231 Y CA -0.467 57.598 58.100 -0.059 0.000 1.238 231 Y CB 0.582 38.975 38.460 -0.112 0.000 1.179 231 Y HN -0.231 nan 8.280 nan 0.000 0.524 232 D N 1.294 121.729 120.400 0.058 0.000 2.697 232 D HA -0.151 4.489 4.640 -0.000 0.000 0.235 232 D C -0.479 175.849 176.300 0.047 0.000 1.167 232 D CA 0.880 54.904 54.000 0.040 0.000 0.656 232 D CB -0.872 39.952 40.800 0.039 0.000 1.025 232 D HN 0.211 nan 8.370 nan 0.000 0.419 233 V N -2.276 117.640 119.914 0.004 0.000 3.177 233 V HA 0.782 4.902 4.120 -0.000 0.000 0.319 233 V C 0.753 176.839 176.094 -0.013 0.000 1.125 233 V CA -0.905 61.373 62.300 -0.036 0.000 1.029 233 V CB 1.864 33.582 31.823 -0.176 0.000 1.119 233 V HN 0.131 nan 8.190 nan 0.000 0.452 234 R N 0.430 120.953 120.500 0.039 0.000 2.758 234 R HA 0.791 5.130 4.340 -0.000 0.000 0.265 234 R C -1.238 175.078 176.300 0.026 0.000 1.016 234 R CA -0.850 55.304 56.100 0.090 0.000 1.040 234 R CB 1.696 32.151 30.300 0.259 0.000 1.152 234 R HN 0.670 nan 8.270 nan 0.000 0.503 235 L N 1.075 122.246 121.223 -0.086 0.000 2.346 235 L HA 0.464 4.804 4.340 -0.000 0.000 0.276 235 L C -0.742 175.982 176.870 -0.243 0.000 1.006 235 L CA -0.834 53.775 54.840 -0.385 0.000 0.817 235 L CB 1.594 42.929 42.059 -1.207 0.000 1.272 235 L HN 0.557 nan 8.230 nan 0.000 0.421 236 H N 1.084 119.999 119.070 -0.259 0.000 2.771 236 H HA 0.709 5.265 4.556 -0.000 0.000 0.361 236 H C -1.227 174.084 175.328 -0.027 0.000 1.108 236 H CA -0.233 55.472 56.048 -0.571 0.000 1.201 236 H CB 2.330 31.271 29.762 -1.369 0.000 1.681 236 H HN 0.589 nan 8.280 nan 0.000 0.534 237 T N 2.350 116.583 114.554 -0.536 0.000 2.739 237 T HA 0.299 4.649 4.350 -0.000 0.000 0.303 237 T C -1.265 173.180 174.700 -0.424 0.000 1.389 237 T CA -0.703 61.183 62.100 -0.356 0.000 1.001 237 T CB 0.529 69.433 68.868 0.059 0.000 1.436 237 T HN 0.733 nan 8.240 nan 0.000 0.500 238 H N 0.357 119.406 119.070 -0.035 0.000 2.551 238 H HA 0.618 5.174 4.556 -0.000 0.000 0.358 238 H C -0.974 174.467 175.328 0.187 0.000 1.151 238 H CA 0.195 56.295 56.048 0.087 0.000 1.374 238 H CB 0.591 30.456 29.762 0.170 0.000 1.473 238 H HN 0.345 nan 8.280 nan 0.000 0.574 239 F N 1.934 121.949 119.950 0.108 0.000 2.607 239 F HA 0.191 4.718 4.527 0.000 0.000 0.322 239 F C -1.149 174.689 175.800 0.062 0.000 1.176 239 F CA -1.185 56.818 58.000 0.004 0.000 0.977 239 F CB 0.416 39.416 39.000 -0.001 0.000 1.242 239 F HN 0.710 nan 8.300 nan 0.000 0.465 240 Y N 3.141 123.177 120.300 -0.439 0.000 3.078 240 Y HA -0.290 4.260 4.550 -0.001 0.000 0.202 240 Y C 0.593 176.279 175.900 -0.357 0.000 1.322 240 Y CA 0.680 58.504 58.100 -0.460 0.000 1.118 240 Y CB -0.842 37.249 38.460 -0.615 0.000 1.343 240 Y HN 0.561 nan 8.280 nan 0.000 0.499 241 Q N 0.822 120.436 119.800 -0.310 0.000 2.354 241 Q HA 0.217 4.557 4.340 -0.000 0.000 0.244 241 Q C -2.036 173.575 176.000 -0.648 0.000 0.969 241 Q CA -1.971 53.406 55.803 -0.709 0.000 0.885 241 Q CB 0.407 28.646 28.738 -0.831 0.000 1.241 241 Q HN 0.069 nan 8.270 nan 0.000 0.461 242 P HA -0.087 nan 4.420 nan 0.000 0.266 242 P C -0.237 176.824 177.300 -0.398 0.000 1.195 242 P CA 0.266 63.031 63.100 -0.558 0.000 0.768 242 P CB 0.488 31.811 31.700 -0.628 0.000 0.838 243 L N 1.013 122.086 121.223 -0.249 0.000 3.495 243 L HA -0.225 4.115 4.340 -0.000 0.000 0.412 243 L C 1.423 178.155 176.870 -0.229 0.000 0.717 243 L CA 1.633 56.348 54.840 -0.208 0.000 2.795 243 L CB -2.103 39.834 42.059 -0.203 0.000 0.936 243 L HN 0.328 nan 8.230 nan 0.000 0.674 244 D N -0.255 119.989 120.400 -0.259 0.000 2.104 244 D HA -0.063 4.577 4.640 -0.000 0.000 0.194 244 D C 2.084 178.262 176.300 -0.204 0.000 0.994 244 D CA 1.745 55.578 54.000 -0.279 0.000 0.830 244 D CB -0.065 40.545 40.800 -0.316 0.000 0.959 244 D HN 0.588 nan 8.370 nan 0.000 0.452 245 A N 0.539 123.295 122.820 -0.108 0.000 1.940 245 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 245 A C 2.364 179.938 177.584 -0.018 0.000 1.176 245 A CA 2.200 54.232 52.037 -0.008 0.000 0.631 245 A CB -1.056 18.003 19.000 0.098 0.000 0.814 245 A HN 0.323 nan 8.150 nan 0.000 0.446 246 G N -1.000 107.770 108.800 -0.049 0.000 2.394 246 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.215 246 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.215 246 G C 1.637 176.528 174.900 -0.014 0.000 1.165 246 G CA 1.023 46.105 45.100 -0.031 0.000 0.784 246 G HN 0.453 nan 8.290 nan 0.000 0.535 247 M N 0.652 120.197 119.600 -0.092 0.000 2.159 247 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 247 M C 2.811 179.123 176.300 0.020 0.000 1.063 247 M CA 1.304 56.567 55.300 -0.061 0.000 1.110 247 M CB -0.114 32.266 32.600 -0.365 0.000 1.374 247 M HN 0.328 nan 8.290 nan 0.000 0.411 248 S N 0.136 115.811 115.700 -0.042 0.000 2.371 248 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 248 S C 1.471 176.125 174.600 0.091 0.000 1.029 248 S CA 1.861 60.068 58.200 0.012 0.000 0.978 248 S CB -0.240 62.924 63.200 -0.060 0.000 0.833 248 S HN 0.490 nan 8.310 nan 0.000 0.466 249 D N -0.198 120.246 120.400 0.072 0.000 2.117 249 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 249 D C 1.873 178.214 176.300 0.068 0.000 0.987 249 D CA 1.676 55.725 54.000 0.082 0.000 0.829 249 D CB -0.341 40.502 40.800 0.072 0.000 0.961 249 D HN 0.637 nan 8.370 nan 0.000 0.460 250 H N -0.514 118.545 119.070 -0.019 0.000 2.353 250 H HA 0.000 4.556 4.556 -0.000 0.000 0.300 250 H C 1.867 177.124 175.328 -0.118 0.000 1.090 250 H CA 1.672 57.696 56.048 -0.040 0.000 1.327 250 H CB -0.191 29.569 29.762 -0.004 0.000 1.383 250 H HN 0.220 nan 8.280 nan 0.000 0.508 251 L N -1.538 119.487 121.223 -0.329 0.000 2.249 251 L HA -0.007 4.332 4.340 -0.000 0.000 0.207 251 L C 1.000 177.399 176.870 -0.786 0.000 1.090 251 L CA 0.637 55.044 54.840 -0.721 0.000 0.802 251 L CB 0.151 41.650 42.059 -0.934 0.000 0.947 251 L HN 0.300 nan 8.230 nan 0.000 0.453 252 Y N -1.505 118.778 120.300 -0.028 0.000 2.610 252 Y HA 0.363 4.913 4.550 -0.000 0.000 0.254 252 Y C 1.602 177.525 175.900 0.038 0.000 1.110 252 Y CA -0.070 58.054 58.100 0.041 0.000 1.238 252 Y CB 0.370 38.922 38.460 0.153 0.000 1.322 252 Y HN 0.058 nan 8.280 nan 0.000 0.547 253 G N 1.721 110.589 108.800 0.113 0.000 2.203 253 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 253 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 253 G C 0.163 175.130 174.900 0.112 0.000 1.012 253 G CA 1.014 46.166 45.100 0.087 0.000 0.749 253 G HN 0.430 nan 8.290 nan 0.000 0.512 254 M N -1.786 117.907 119.600 0.155 0.000 2.667 254 M HA 0.759 5.239 4.480 -0.000 0.000 0.286 254 M C 0.321 176.713 176.300 0.153 0.000 1.270 254 M CA -0.400 54.986 55.300 0.143 0.000 0.826 254 M CB 1.236 33.916 32.600 0.134 0.000 1.743 254 M HN 0.504 nan 8.290 nan 0.000 0.460 255 T N -2.180 112.476 114.554 0.170 0.000 2.860 255 T HA 0.362 4.712 4.350 -0.000 0.000 0.299 255 T C -2.200 172.598 174.700 0.164 0.000 1.045 255 T CA -1.095 61.127 62.100 0.203 0.000 1.071 255 T CB 0.321 69.394 68.868 0.342 0.000 0.985 255 T HN 0.535 nan 8.240 nan 0.000 0.537 256 P HA -0.091 nan 4.420 nan 0.000 0.216 256 P C 1.375 178.803 177.300 0.214 0.000 1.150 256 P CA 1.039 64.075 63.100 -0.107 0.000 0.843 256 P CB -0.118 31.228 31.700 -0.590 0.000 0.787 257 W N 0.771 122.211 121.300 0.233 0.000 2.355 257 W HA -0.181 4.479 4.660 -0.001 0.000 0.309 257 W C 2.199 178.885 176.519 0.278 0.000 1.206 257 W CA 0.958 58.581 57.345 0.463 0.000 1.284 257 W CB -0.510 29.401 29.460 0.752 0.000 1.145 257 W HN -0.203 nan 8.180 nan 0.000 0.502 258 R N 0.202 120.790 120.500 0.147 0.000 2.105 258 R HA -0.236 4.104 4.340 -0.000 0.000 0.239 258 R C 2.345 178.551 176.300 -0.157 0.000 1.135 258 R CA 2.256 58.309 56.100 -0.079 0.000 0.967 258 R CB -1.500 28.842 30.300 0.070 0.000 0.861 258 R HN 0.304 nan 8.270 nan 0.000 0.442 259 F N 0.136 119.967 119.950 -0.198 0.000 2.102 259 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 259 F C 1.596 177.193 175.800 -0.339 0.000 1.105 259 F CA 1.486 59.322 58.000 -0.272 0.000 1.239 259 F CB -0.160 38.659 39.000 -0.302 0.000 0.991 259 F HN -0.013 nan 8.300 nan 0.000 0.474 260 L N 0.282 121.416 121.223 -0.148 0.000 2.046 260 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 260 L C 2.579 179.226 176.870 -0.372 0.000 1.077 260 L CA 1.921 56.600 54.840 -0.269 0.000 0.747 260 L CB -0.891 41.118 42.059 -0.083 0.000 0.896 260 L HN 0.298 nan 8.230 nan 0.000 0.432 261 E N 0.370 120.211 120.200 -0.598 0.000 2.058 261 E HA -0.245 4.104 4.350 -0.000 0.000 0.194 261 E C 2.097 178.449 176.600 -0.412 0.000 0.997 261 E CA 1.130 57.193 56.400 -0.563 0.000 0.801 261 E CB 0.197 29.491 29.700 -0.676 0.000 0.746 261 E HN 0.261 nan 8.360 nan 0.000 0.450 262 K N 0.086 120.167 120.400 -0.531 0.000 2.152 262 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 262 K C 1.357 177.503 176.600 -0.756 0.000 1.048 262 K CA 1.124 57.007 56.287 -0.674 0.000 0.933 262 K CB -0.254 31.684 32.500 -0.935 0.000 0.721 262 K HN 0.425 nan 8.250 nan 0.000 0.447 263 H N -0.951 117.866 119.070 -0.421 0.000 2.488 263 H HA 0.227 4.783 4.556 -0.001 0.000 0.294 263 H C 0.850 176.188 175.328 0.017 0.000 1.088 263 H CA 0.531 56.397 56.048 -0.303 0.000 1.086 263 H CB 0.511 29.918 29.762 -0.592 0.000 1.569 263 H HN 0.393 nan 8.280 nan 0.000 0.548 264 G N 0.595 109.443 108.800 0.081 0.000 2.157 264 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.239 264 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.239 264 G C 0.404 175.443 174.900 0.232 0.000 0.982 264 G CA -0.061 45.133 45.100 0.158 0.000 0.650 264 G HN 0.418 nan 8.290 nan 0.000 0.527 265 W N 0.809 122.073 121.300 -0.059 0.000 3.316 265 W HA 0.687 5.347 4.660 -0.000 0.000 0.327 265 W C 1.374 177.859 176.519 -0.057 0.000 1.232 265 W CA -0.024 57.315 57.345 -0.009 0.000 1.805 265 W CB 0.301 29.788 29.460 0.045 0.000 1.090 265 W HN 0.640 nan 8.180 nan 0.000 0.654 266 A N 1.427 124.261 122.820 0.024 0.000 3.078 266 A HA 0.545 4.865 4.320 -0.000 0.000 0.279 266 A C 0.353 178.001 177.584 0.106 0.000 1.594 266 A CA 0.220 52.276 52.037 0.032 0.000 1.301 266 A CB -0.753 18.137 19.000 -0.183 0.000 1.162 266 A HN 0.009 nan 8.150 nan 0.000 0.585 267 S N -0.282 115.478 115.700 0.100 0.000 2.638 267 S HA 0.473 4.943 4.470 -0.000 0.000 0.274 267 S C -0.100 174.530 174.600 0.049 0.000 1.157 267 S CA -0.051 58.181 58.200 0.054 0.000 0.826 267 S CB 1.223 64.417 63.200 -0.009 0.000 1.139 267 S HN 0.387 nan 8.310 nan 0.000 0.474 268 D N -0.125 120.297 120.400 0.036 0.000 2.338 268 D HA 0.058 4.698 4.640 -0.000 0.000 0.239 268 D C 0.977 177.286 176.300 0.014 0.000 1.095 268 D CA 0.014 54.033 54.000 0.033 0.000 0.888 268 D CB -0.316 40.502 40.800 0.030 0.000 0.899 268 D HN 0.553 nan 8.370 nan 0.000 0.525 269 R N -0.245 120.243 120.500 -0.019 0.000 2.334 269 R HA 0.231 4.570 4.340 -0.000 0.000 0.216 269 R C -0.188 176.097 176.300 -0.025 0.000 0.905 269 R CA -0.056 56.021 56.100 -0.038 0.000 1.064 269 R CB 0.976 31.216 30.300 -0.100 0.000 1.046 269 R HN 0.070 nan 8.270 nan 0.000 0.508 270 V N 1.106 121.019 119.914 -0.001 0.000 2.555 270 V HA 0.346 4.465 4.120 -0.000 0.000 0.302 270 V C -0.868 175.354 176.094 0.214 0.000 1.038 270 V CA -0.954 61.352 62.300 0.009 0.000 0.887 270 V CB 1.423 33.214 31.823 -0.053 0.000 0.991 270 V HN 0.299 nan 8.190 nan 0.000 0.434 271 W N 5.328 126.646 121.300 0.030 0.000 2.819 271 W HA 0.863 5.523 4.660 -0.000 0.000 0.337 271 W C -2.128 174.504 176.519 0.189 0.000 1.077 271 W CA -1.080 56.303 57.345 0.063 0.000 1.226 271 W CB 1.216 30.689 29.460 0.021 0.000 1.419 271 W HN 0.390 nan 8.180 nan 0.000 0.502 272 L N 4.446 125.709 121.223 0.067 0.000 2.356 272 L HA 0.727 5.067 4.340 -0.000 0.000 0.277 272 L C 0.248 177.120 176.870 0.003 0.000 0.996 272 L CA -1.389 53.400 54.840 -0.084 0.000 0.822 272 L CB 1.734 43.639 42.059 -0.256 0.000 1.256 272 L HN 0.772 nan 8.230 nan 0.000 0.413 273 A N 1.951 124.697 122.820 -0.123 0.000 2.363 273 A HA 0.547 4.866 4.320 -0.000 0.000 0.270 273 A C 0.457 178.088 177.584 0.079 0.000 1.121 273 A CA 0.143 52.052 52.037 -0.213 0.000 0.800 273 A CB 0.001 18.511 19.000 -0.816 0.000 1.052 273 A HN 1.046 nan 8.150 nan 0.000 0.493 274 H N 1.247 120.366 119.070 0.082 0.000 4.750 274 H HA -0.307 4.249 4.556 -0.000 0.000 0.061 274 H C 1.154 176.618 175.328 0.227 0.000 0.613 274 H CA 1.648 57.804 56.048 0.181 0.000 0.921 274 H CB -1.782 28.110 29.762 0.216 0.000 0.422 274 H HN 2.275 nan 8.280 nan 0.000 0.809 275 A N 0.646 123.688 122.820 0.371 0.000 2.560 275 A HA -0.144 4.176 4.320 -0.000 0.000 0.299 275 A C 1.543 179.297 177.584 0.284 0.000 1.484 275 A CA 1.320 53.547 52.037 0.315 0.000 0.749 275 A CB -1.829 17.379 19.000 0.345 0.000 1.072 275 A HN 0.444 nan 8.150 nan 0.000 0.426 276 V N -0.687 119.334 119.914 0.179 0.000 2.407 276 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 276 V C 1.611 177.714 176.094 0.015 0.000 1.041 276 V CA 1.952 64.328 62.300 0.126 0.000 1.040 276 V CB 0.021 31.898 31.823 0.089 0.000 0.671 276 V HN 1.550 nan 8.190 nan 0.000 0.455 277 V N -1.443 118.429 119.914 -0.071 0.000 2.562 277 V HA 0.485 4.604 4.120 -0.000 0.000 0.274 277 V C -2.521 173.340 176.094 -0.389 0.000 1.075 277 V CA -1.752 60.451 62.300 -0.161 0.000 1.204 277 V CB 0.204 31.938 31.823 -0.148 0.000 1.478 277 V HN 0.283 nan 8.190 nan 0.000 0.622 278 P HA 0.434 nan 4.420 nan 0.000 0.277 278 P C -2.807 174.178 177.300 -0.524 0.000 1.240 278 P CA -1.595 60.902 63.100 -1.005 0.000 0.798 278 P CB 0.482 31.958 31.700 -0.373 0.000 0.979 279 P HA 0.163 nan 4.420 nan 0.000 0.267 279 P C 1.139 178.310 177.300 -0.215 0.000 1.205 279 P CA -0.107 62.853 63.100 -0.233 0.000 0.765 279 P CB 0.285 31.907 31.700 -0.129 0.000 0.828 280 R N 3.339 123.739 120.500 -0.166 0.000 2.117 280 R HA -0.175 4.165 4.340 -0.000 0.000 0.243 280 R C 1.704 177.897 176.300 -0.180 0.000 1.143 280 R CA 1.497 57.503 56.100 -0.157 0.000 0.968 280 R CB -0.780 29.451 30.300 -0.115 0.000 0.863 280 R HN 0.636 nan 8.270 nan 0.000 0.444 281 E N 0.753 120.864 120.200 -0.149 0.000 2.409 281 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 281 E C 0.822 177.303 176.600 -0.199 0.000 1.024 281 E CA 0.948 57.268 56.400 -0.132 0.000 0.861 281 E CB -0.109 29.549 29.700 -0.070 0.000 0.788 281 E HN 0.464 nan 8.360 nan 0.000 0.521 282 E N 0.423 120.428 120.200 -0.326 0.000 2.442 282 E HA 0.119 4.469 4.350 -0.000 0.000 0.195 282 E C 2.076 177.944 176.600 -1.221 0.000 1.030 282 E CA -0.063 55.985 56.400 -0.586 0.000 0.869 282 E CB 0.041 29.455 29.700 -0.478 0.000 0.857 282 E HN 0.285 nan 8.360 nan 0.000 0.505 283 I N 1.691 121.716 120.570 -0.908 0.000 2.208 283 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 283 I C -0.786 175.038 176.117 -0.489 0.000 1.097 283 I CA 1.192 62.018 61.300 -0.790 0.000 1.363 283 I CB -1.221 36.653 38.000 -0.210 0.000 1.051 283 I HN 0.067 nan 8.210 nan 0.000 0.413 284 P HA -0.166 nan 4.420 nan 0.000 0.218 284 P C 1.216 178.446 177.300 -0.117 0.000 1.148 284 P CA 1.398 64.412 63.100 -0.143 0.000 0.822 284 P CB -0.063 31.579 31.700 -0.095 0.000 0.784 285 E N -1.501 118.571 120.200 -0.214 0.000 2.106 285 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 285 E C 1.725 178.361 176.600 0.059 0.000 0.984 285 E CA 0.888 57.288 56.400 0.000 0.000 0.806 285 E CB -0.510 29.292 29.700 0.170 0.000 0.750 285 E HN 0.225 nan 8.360 nan 0.000 0.458 286 F N 1.349 121.090 119.950 -0.348 0.000 2.095 286 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 286 F C 2.528 178.271 175.800 -0.095 0.000 1.104 286 F CA 0.822 58.596 58.000 -0.376 0.000 1.232 286 F CB -1.431 37.345 39.000 -0.372 0.000 0.987 286 F HN -0.008 nan 8.300 nan 0.000 0.475 287 A N 0.311 123.203 122.820 0.121 0.000 1.883 287 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 287 A C 2.052 179.695 177.584 0.098 0.000 1.186 287 A CA 2.074 54.167 52.037 0.093 0.000 0.624 287 A CB -0.938 18.097 19.000 0.059 0.000 0.822 287 A HN 0.291 nan 8.150 nan 0.000 0.444 288 D N 0.009 120.472 120.400 0.105 0.000 2.144 288 D HA -0.041 4.599 4.640 -0.000 0.000 0.199 288 D C 2.147 178.537 176.300 0.149 0.000 0.984 288 D CA 1.512 55.580 54.000 0.114 0.000 0.834 288 D CB -0.428 40.441 40.800 0.114 0.000 0.955 288 D HN 0.443 nan 8.370 nan 0.000 0.465 289 A N -0.045 122.912 122.820 0.229 0.000 2.014 289 A HA 0.240 4.560 4.320 -0.000 0.000 0.218 289 A C 1.898 179.586 177.584 0.174 0.000 1.163 289 A CA 1.714 53.907 52.037 0.259 0.000 0.652 289 A CB -0.386 18.911 19.000 0.495 0.000 0.808 289 A HN 0.315 nan 8.150 nan 0.000 0.449 290 G N -1.043 107.843 108.800 0.143 0.000 2.132 290 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.228 290 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.228 290 G C 0.365 175.313 174.900 0.080 0.000 1.000 290 G CA 0.494 45.649 45.100 0.092 0.000 0.693 290 G HN 1.718 nan 8.290 nan 0.000 0.515 291 V N -1.651 118.320 119.914 0.095 0.000 2.963 291 V HA 0.774 4.894 4.120 -0.000 0.000 0.306 291 V C 0.767 176.864 176.094 0.004 0.000 1.077 291 V CA -0.008 62.319 62.300 0.046 0.000 1.124 291 V CB 1.334 33.153 31.823 -0.007 0.000 0.987 291 V HN 1.826 nan 8.190 nan 0.000 0.487 292 A N 4.738 127.578 122.820 0.033 0.000 2.311 292 A HA 0.897 5.217 4.320 -0.000 0.000 0.334 292 A C -0.482 177.120 177.584 0.031 0.000 1.139 292 A CA -0.895 51.163 52.037 0.036 0.000 0.830 292 A CB 0.955 20.002 19.000 0.079 0.000 1.234 292 A HN 0.910 nan 8.150 nan 0.000 0.483 293 I N 0.689 121.257 120.570 -0.004 0.000 2.498 293 I HA 0.520 4.690 4.170 -0.000 0.000 0.290 293 I C 0.195 176.368 176.117 0.093 0.000 1.032 293 I CA -0.493 60.798 61.300 -0.015 0.000 1.073 293 I CB 2.165 40.013 38.000 -0.254 0.000 1.251 293 I HN 0.700 nan 8.210 nan 0.000 0.426 294 A N 4.587 127.497 122.820 0.150 0.000 2.249 294 A HA 0.434 4.753 4.320 -0.000 0.000 0.314 294 A C -0.769 176.836 177.584 0.035 0.000 1.290 294 A CA -0.307 51.805 52.037 0.125 0.000 0.893 294 A CB 0.037 19.166 19.000 0.215 0.000 1.165 294 A HN 0.714 nan 8.150 nan 0.000 0.530 295 H N 2.813 121.786 119.070 -0.162 0.000 2.690 295 H HA 0.471 5.026 4.556 -0.001 0.000 0.314 295 H C -0.778 174.142 175.328 -0.679 0.000 1.069 295 H CA -0.460 55.405 56.048 -0.305 0.000 1.436 295 H CB 0.417 30.026 29.762 -0.254 0.000 1.462 295 H HN 0.483 nan 8.280 nan 0.000 0.511 296 L N 7.536 128.440 121.223 -0.531 0.000 2.581 296 L HA 0.158 4.498 4.340 -0.000 0.000 0.241 296 L C 1.177 177.800 176.870 -0.411 0.000 1.265 296 L CA -0.385 54.135 54.840 -0.534 0.000 0.954 296 L CB 0.470 42.298 42.059 -0.386 0.000 1.269 296 L HN 0.546 nan 8.230 nan 0.000 0.475 297 I N 2.045 122.201 120.570 -0.691 0.000 2.208 297 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 297 I C 2.464 178.527 176.117 -0.091 0.000 1.097 297 I CA 2.171 63.289 61.300 -0.304 0.000 1.363 297 I CB 0.164 38.096 38.000 -0.113 0.000 1.051 297 I HN 0.572 nan 8.210 nan 0.000 0.413 298 A N 1.517 124.301 122.820 -0.059 0.000 1.858 298 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 298 A C 0.113 177.642 177.584 -0.091 0.000 1.190 298 A CA 2.129 54.142 52.037 -0.039 0.000 0.617 298 A CB -2.304 16.696 19.000 0.000 0.000 0.827 298 A HN 0.452 nan 8.150 nan 0.000 0.443 299 P HA -0.104 nan 4.420 nan 0.000 0.219 299 P C 0.194 177.293 177.300 -0.336 0.000 1.150 299 P CA 1.336 64.310 63.100 -0.210 0.000 0.814 299 P CB -0.152 31.507 31.700 -0.068 0.000 0.787 300 D N 0.012 120.360 120.400 -0.087 0.000 2.117 300 D HA -0.092 4.547 4.640 -0.000 0.000 0.197 300 D C 2.176 178.414 176.300 -0.104 0.000 0.987 300 D CA 0.967 54.984 54.000 0.029 0.000 0.829 300 D CB -0.679 40.270 40.800 0.249 0.000 0.961 300 D HN 0.207 nan 8.370 nan 0.000 0.460 301 L N 0.059 121.218 121.223 -0.107 0.000 2.072 301 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 301 L C 2.603 179.362 176.870 -0.184 0.000 1.079 301 L CA 0.624 55.397 54.840 -0.111 0.000 0.752 301 L CB -0.318 41.696 42.059 -0.075 0.000 0.906 301 L HN -0.043 nan 8.230 nan 0.000 0.436 302 R N 0.133 120.491 120.500 -0.235 0.000 2.120 302 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 302 R C 2.029 178.109 176.300 -0.366 0.000 1.123 302 R CA 1.255 57.202 56.100 -0.255 0.000 0.975 302 R CB 0.060 30.209 30.300 -0.252 0.000 0.866 302 R HN 0.260 nan 8.270 nan 0.000 0.446 303 M N -0.812 118.415 119.600 -0.621 0.000 2.595 303 M HA 0.128 4.608 4.480 -0.000 0.000 0.248 303 M C 1.130 177.131 176.300 -0.497 0.000 1.119 303 M CA 0.993 55.800 55.300 -0.821 0.000 1.079 303 M CB 0.137 31.607 32.600 -1.883 0.000 1.472 303 M HN 0.457 nan 8.290 nan 0.000 0.501 304 G N -0.892 107.732 108.800 -0.293 0.000 2.143 304 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.249 304 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.249 304 G C 0.469 175.430 174.900 0.102 0.000 0.981 304 G CA 0.298 45.355 45.100 -0.072 0.000 0.665 304 G HN 0.445 nan 8.290 nan 0.000 0.528 305 W N 0.353 121.613 121.300 -0.067 0.000 2.418 305 W HA 0.397 5.056 4.660 -0.001 0.000 0.292 305 W C 1.808 178.300 176.519 -0.044 0.000 1.213 305 W CA 1.654 58.963 57.345 -0.060 0.000 1.283 305 W CB -0.939 28.480 29.460 -0.069 0.000 1.119 305 W HN 1.390 nan 8.180 nan 0.000 0.542 306 G N -0.169 108.738 108.800 0.178 0.000 2.451 306 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.208 306 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.208 306 G C -1.313 173.627 174.900 0.067 0.000 1.248 306 G CA -0.674 44.471 45.100 0.076 0.000 0.989 306 G HN 0.001 nan 8.290 nan 0.000 0.559 307 L N 1.182 122.412 121.223 0.011 0.000 2.276 307 L HA 0.674 5.014 4.340 -0.000 0.000 0.286 307 L C 1.091 177.989 176.870 0.048 0.000 1.024 307 L CA -0.296 54.522 54.840 -0.036 0.000 0.826 307 L CB 1.372 43.330 42.059 -0.168 0.000 1.211 307 L HN 1.126 nan 8.230 nan 0.000 0.422 308 A N 5.807 128.705 122.820 0.130 0.000 2.531 308 A HA 0.280 4.600 4.320 -0.000 0.000 0.236 308 A C -1.938 175.623 177.584 -0.037 0.000 1.062 308 A CA -0.771 51.318 52.037 0.087 0.000 0.760 308 A CB -0.366 18.736 19.000 0.171 0.000 0.995 308 A HN 0.537 nan 8.150 nan 0.000 0.501 309 P HA 0.067 nan 4.420 nan 0.000 0.230 309 P C 0.659 177.563 177.300 -0.660 0.000 1.791 309 P CA -0.216 62.646 63.100 -0.396 0.000 1.020 309 P CB -0.048 31.372 31.700 -0.466 0.000 1.977 310 I N 1.272 121.628 120.570 -0.356 0.000 2.202 310 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 310 I C 2.521 178.537 176.117 -0.169 0.000 1.091 310 I CA 1.240 62.388 61.300 -0.254 0.000 1.368 310 I CB -1.361 36.444 38.000 -0.324 0.000 1.058 310 I HN 0.190 nan 8.210 nan 0.000 0.410 311 R N 1.828 122.229 120.500 -0.164 0.000 2.103 311 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 311 R C 2.012 178.266 176.300 -0.076 0.000 1.142 311 R CA 1.755 57.805 56.100 -0.084 0.000 0.960 311 R CB -0.513 29.758 30.300 -0.048 0.000 0.858 311 R HN 0.300 nan 8.270 nan 0.000 0.439 312 E N -0.868 119.240 120.200 -0.154 0.000 2.085 312 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 312 E C 1.845 178.433 176.600 -0.019 0.000 0.994 312 E CA 1.612 57.932 56.400 -0.133 0.000 0.801 312 E CB -0.387 29.177 29.700 -0.227 0.000 0.743 312 E HN 0.404 nan 8.360 nan 0.000 0.453 313 Y N 0.336 120.643 120.300 0.013 0.000 2.145 313 Y HA -0.120 4.430 4.550 -0.000 0.000 0.286 313 Y C 2.111 178.025 175.900 0.023 0.000 1.145 313 Y CA 0.706 58.827 58.100 0.036 0.000 1.148 313 Y CB -0.843 37.646 38.460 0.048 0.000 0.981 313 Y HN 0.022 nan 8.280 nan 0.000 0.507 314 L N -0.457 120.860 121.223 0.156 0.000 2.046 314 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 314 L C 2.061 178.968 176.870 0.062 0.000 1.077 314 L CA 1.457 56.351 54.840 0.089 0.000 0.747 314 L CB -0.616 41.475 42.059 0.052 0.000 0.896 314 L HN 0.121 nan 8.230 nan 0.000 0.432 315 D N 0.513 120.939 120.400 0.043 0.000 2.133 315 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 315 D C 2.068 178.390 176.300 0.037 0.000 0.997 315 D CA 1.670 55.685 54.000 0.026 0.000 0.840 315 D CB 0.009 40.812 40.800 0.005 0.000 0.947 315 D HN 0.338 nan 8.370 nan 0.000 0.452 316 A N -0.663 122.194 122.820 0.062 0.000 2.208 316 A HA 0.386 4.706 4.320 -0.000 0.000 0.209 316 A C 1.751 179.373 177.584 0.064 0.000 1.161 316 A CA 1.168 53.241 52.037 0.061 0.000 0.782 316 A CB -0.139 18.910 19.000 0.082 0.000 0.816 316 A HN 0.274 nan 8.150 nan 0.000 0.477 317 G N -0.888 107.952 108.800 0.067 0.000 2.143 317 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.249 317 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.249 317 G C 0.095 175.033 174.900 0.062 0.000 0.981 317 G CA 0.207 45.341 45.100 0.056 0.000 0.665 317 G HN 0.457 nan 8.290 nan 0.000 0.528 318 I N 1.896 122.516 120.570 0.085 0.000 2.496 318 I HA 0.183 4.352 4.170 -0.000 0.000 0.285 318 I C 1.152 177.297 176.117 0.046 0.000 1.080 318 I CA -0.158 61.181 61.300 0.065 0.000 1.404 318 I CB 0.903 38.943 38.000 0.067 0.000 1.403 318 I HN 0.031 nan 8.210 nan 0.000 0.539 319 T N 6.217 120.784 114.554 0.023 0.000 2.867 319 T HA 0.160 4.510 4.350 -0.000 0.000 0.297 319 T C -0.077 174.632 174.700 0.016 0.000 0.989 319 T CA -0.147 61.961 62.100 0.014 0.000 1.159 319 T CB 0.220 69.088 68.868 0.000 0.000 0.928 319 T HN 0.242 nan 8.240 nan 0.000 0.538 320 V N 3.628 123.564 119.914 0.036 0.000 2.444 320 V HA 0.692 4.812 4.120 -0.000 0.000 0.294 320 V C 0.726 176.866 176.094 0.076 0.000 1.022 320 V CA -0.745 61.597 62.300 0.069 0.000 0.850 320 V CB 1.713 33.609 31.823 0.122 0.000 0.992 320 V HN 1.015 nan 8.190 nan 0.000 0.426 321 G N 2.572 111.424 108.800 0.087 0.000 2.753 321 G HA2 0.778 4.738 3.960 -0.000 0.000 0.285 321 G HA3 0.778 4.738 3.960 -0.000 0.000 0.285 321 G C -1.658 173.365 174.900 0.205 0.000 1.344 321 G CA -0.525 44.634 45.100 0.098 0.000 1.050 321 G HN 0.426 nan 8.290 nan 0.000 0.532 322 F N -1.526 118.445 119.950 0.035 0.000 2.599 322 F HA 0.681 5.208 4.527 -0.000 0.000 0.311 322 F C 0.333 176.156 175.800 0.039 0.000 1.076 322 F CA 0.079 58.110 58.000 0.051 0.000 0.937 322 F CB 2.540 41.555 39.000 0.025 0.000 1.282 322 F HN 0.847 nan 8.300 nan 0.000 0.460 323 G N 0.070 108.905 108.800 0.058 0.000 2.649 323 G HA2 0.420 4.380 3.960 -0.000 0.000 0.290 323 G HA3 0.420 4.380 3.960 -0.000 0.000 0.290 323 G C -0.326 174.631 174.900 0.095 0.000 1.426 323 G CA -0.063 45.117 45.100 0.133 0.000 0.794 323 G HN 0.738 nan 8.290 nan 0.000 0.483 324 T N -3.424 111.196 114.554 0.109 0.000 3.014 324 T HA 0.339 4.689 4.350 -0.000 0.000 0.250 324 T C 1.198 175.941 174.700 0.072 0.000 1.060 324 T CA 1.279 63.434 62.100 0.092 0.000 1.040 324 T CB -0.192 68.734 68.868 0.097 0.000 0.971 324 T HN 1.713 nan 8.240 nan 0.000 0.497 325 T N 0.629 115.238 114.554 0.093 0.000 0.541 325 T HA -0.052 4.298 4.350 -0.000 0.000 0.774 325 T C 0.530 175.273 174.700 0.072 0.000 0.992 325 T CA 0.643 62.814 62.100 0.118 0.000 4.077 325 T CB -1.280 67.759 68.868 0.285 0.000 2.303 325 T HN 1.114 nan 8.240 nan 0.000 0.398 326 G N 0.393 109.292 108.800 0.164 0.000 2.636 326 G HA2 0.404 4.363 3.960 -0.000 0.000 0.246 326 G HA3 0.404 4.363 3.960 -0.000 0.000 0.246 326 G C 1.060 176.036 174.900 0.127 0.000 1.216 326 G CA 0.292 45.490 45.100 0.163 0.000 0.854 326 G HN 0.852 nan 8.290 nan 0.000 0.572 327 S N 0.417 116.165 115.700 0.081 0.000 2.607 327 S HA 0.077 4.546 4.470 -0.000 0.000 0.224 327 S C 2.239 176.899 174.600 0.099 0.000 0.969 327 S CA 0.529 58.775 58.200 0.077 0.000 0.927 327 S CB 0.085 63.320 63.200 0.060 0.000 0.772 327 S HN 0.778 nan 8.310 nan 0.000 0.533 328 A N 1.237 124.143 122.820 0.144 0.000 2.178 328 A HA 0.146 4.466 4.320 -0.000 0.000 0.211 328 A C 1.354 179.196 177.584 0.430 0.000 1.157 328 A CA 0.614 52.795 52.037 0.240 0.000 0.780 328 A CB 0.028 19.128 19.000 0.166 0.000 0.828 328 A HN 0.445 nan 8.150 nan 0.000 0.476 329 S N -1.027 114.825 115.700 0.253 0.000 2.474 329 S HA 0.355 4.825 4.470 -0.000 0.000 0.224 329 S C 0.038 174.613 174.600 -0.041 0.000 1.209 329 S CA -0.342 57.852 58.200 -0.009 0.000 1.212 329 S CB -0.150 62.791 63.200 -0.432 0.000 1.137 329 S HN 0.431 nan 8.310 nan 0.000 0.446 330 N N 1.402 120.112 118.700 0.017 0.000 2.919 330 N HA 0.070 4.810 4.740 -0.000 0.000 0.263 330 N C -0.843 174.674 175.510 0.012 0.000 0.913 330 N CA 0.314 53.369 53.050 0.009 0.000 1.085 330 N CB 0.335 38.844 38.487 0.037 0.000 1.553 330 N HN 0.272 nan 8.380 nan 0.000 0.932 331 D N 0.833 121.251 120.400 0.029 0.000 2.643 331 D HA 0.383 5.023 4.640 -0.000 0.000 0.244 331 D C 0.132 176.461 176.300 0.050 0.000 1.257 331 D CA 0.002 54.032 54.000 0.049 0.000 0.831 331 D CB 0.611 41.443 40.800 0.054 0.000 1.043 331 D HN 0.322 nan 8.370 nan 0.000 0.488 332 G N -1.349 107.480 108.800 0.047 0.000 2.735 332 G HA2 0.509 4.468 3.960 -0.000 0.000 0.301 332 G HA3 0.509 4.468 3.960 -0.000 0.000 0.301 332 G C 0.610 175.546 174.900 0.059 0.000 1.279 332 G CA -0.814 44.317 45.100 0.051 0.000 1.019 332 G HN 0.028 nan 8.290 nan 0.000 0.497 333 G N -0.652 108.186 108.800 0.063 0.000 3.605 333 G HA2 0.102 4.062 3.960 -0.000 0.000 0.277 333 G HA3 0.102 4.062 3.960 -0.000 0.000 0.277 333 G C 0.330 175.277 174.900 0.078 0.000 1.093 333 G CA -0.311 44.831 45.100 0.071 0.000 0.821 333 G HN 0.456 nan 8.290 nan 0.000 0.532 334 N N 1.425 120.169 118.700 0.073 0.000 2.605 334 N HA 0.096 4.836 4.740 -0.000 0.000 0.258 334 N C 1.354 176.908 175.510 0.073 0.000 1.156 334 N CA -0.546 52.549 53.050 0.075 0.000 1.008 334 N CB 0.818 39.341 38.487 0.061 0.000 1.354 334 N HN 0.064 nan 8.380 nan 0.000 0.509 335 L N 4.428 125.702 121.223 0.085 0.000 2.027 335 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 335 L C 1.783 178.642 176.870 -0.017 0.000 1.074 335 L CA 1.422 56.308 54.840 0.077 0.000 0.745 335 L CB -0.806 41.312 42.059 0.099 0.000 0.898 335 L HN 0.556 nan 8.230 nan 0.000 0.433 336 L N -0.050 121.166 121.223 -0.011 0.000 2.012 336 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 336 L C 2.356 179.158 176.870 -0.113 0.000 1.073 336 L CA 2.196 56.971 54.840 -0.108 0.000 0.748 336 L CB -1.522 40.469 42.059 -0.112 0.000 0.891 336 L HN 0.324 nan 8.230 nan 0.000 0.431 337 G N -1.289 107.486 108.800 -0.042 0.000 2.442 337 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 337 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 337 G C 1.241 176.124 174.900 -0.028 0.000 1.141 337 G CA 0.924 46.005 45.100 -0.031 0.000 0.763 337 G HN 0.443 nan 8.290 nan 0.000 0.554 338 D N 0.215 120.611 120.400 -0.006 0.000 2.264 338 D HA -0.004 4.635 4.640 -0.000 0.000 0.208 338 D C 2.592 178.882 176.300 -0.017 0.000 0.966 338 D CA 0.156 54.186 54.000 0.051 0.000 0.864 338 D CB -0.100 40.812 40.800 0.188 0.000 0.933 338 D HN 0.304 nan 8.370 nan 0.000 0.499 339 L N 0.211 121.307 121.223 -0.213 0.000 2.083 339 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 339 L C 2.546 179.345 176.870 -0.119 0.000 1.083 339 L CA 0.919 55.560 54.840 -0.330 0.000 0.752 339 L CB -0.297 41.530 42.059 -0.386 0.000 0.899 339 L HN -0.001 nan 8.230 nan 0.000 0.433 340 R N 0.424 120.874 120.500 -0.084 0.000 2.075 340 R HA -0.198 4.142 4.340 -0.000 0.000 0.232 340 R C 2.345 178.643 176.300 -0.003 0.000 1.126 340 R CA 1.204 57.278 56.100 -0.043 0.000 0.963 340 R CB -0.239 30.033 30.300 -0.048 0.000 0.858 340 R HN 0.166 nan 8.270 nan 0.000 0.435 341 L N 0.942 122.174 121.223 0.014 0.000 2.012 341 L HA -0.128 4.211 4.340 -0.000 0.000 0.210 341 L C 2.311 179.233 176.870 0.086 0.000 1.073 341 L CA 2.291 57.153 54.840 0.036 0.000 0.748 341 L CB -0.842 41.243 42.059 0.044 0.000 0.891 341 L HN 0.302 nan 8.230 nan 0.000 0.431 342 A N -0.709 122.214 122.820 0.172 0.000 1.902 342 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 342 A C 2.461 180.216 177.584 0.285 0.000 1.181 342 A CA 1.885 54.133 52.037 0.351 0.000 0.623 342 A CB -1.229 18.085 19.000 0.523 0.000 0.818 342 A HN 0.584 nan 8.150 nan 0.000 0.443 343 A N -0.828 122.070 122.820 0.131 0.000 1.917 343 A HA -0.048 4.271 4.320 -0.000 0.000 0.219 343 A C 1.993 179.588 177.584 0.018 0.000 1.182 343 A CA 1.959 54.039 52.037 0.071 0.000 0.633 343 A CB -0.430 18.583 19.000 0.021 0.000 0.819 343 A HN 0.415 nan 8.150 nan 0.000 0.448 344 L N -1.259 119.960 121.223 -0.007 0.000 2.200 344 L HA 0.209 4.549 4.340 -0.000 0.000 0.200 344 L C 2.875 179.678 176.870 -0.110 0.000 1.072 344 L CA 1.572 56.360 54.840 -0.086 0.000 0.787 344 L CB -1.074 40.944 42.059 -0.067 0.000 0.957 344 L HN 0.302 nan 8.230 nan 0.000 0.459 345 A N -1.449 121.342 122.820 -0.049 0.000 2.015 345 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 345 A C 2.136 179.639 177.584 -0.135 0.000 1.163 345 A CA 1.230 53.213 52.037 -0.091 0.000 0.646 345 A CB -0.780 18.173 19.000 -0.079 0.000 0.806 345 A HN 0.482 nan 8.150 nan 0.000 0.448 346 H N -0.366 118.664 119.070 -0.066 0.000 2.495 346 H HA -0.002 4.554 4.556 -0.000 0.000 0.287 346 H C 2.194 177.406 175.328 -0.194 0.000 1.033 346 H CA 1.309 57.319 56.048 -0.063 0.000 1.307 346 H CB 0.066 29.834 29.762 0.010 0.000 1.401 346 H HN 0.539 nan 8.280 nan 0.000 0.555 347 R N 0.089 120.383 120.500 -0.344 0.000 2.081 347 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 347 R C -0.650 175.396 176.300 -0.423 0.000 1.131 347 R CA 1.059 56.604 56.100 -0.926 0.000 0.960 347 R CB -1.108 28.283 30.300 -1.515 0.000 0.856 347 R HN 0.304 nan 8.270 nan 0.000 0.436 348 P HA -0.033 nan 4.420 nan 0.000 0.234 348 P C 0.467 177.770 177.300 0.004 0.000 1.167 348 P CA 1.041 64.091 63.100 -0.083 0.000 0.763 348 P CB 0.101 31.751 31.700 -0.082 0.000 0.835 349 A N -0.787 122.043 122.820 0.016 0.000 2.066 349 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 349 A C 0.995 178.651 177.584 0.119 0.000 1.157 349 A CA 1.190 53.261 52.037 0.057 0.000 0.670 349 A CB -0.352 18.682 19.000 0.056 0.000 0.804 349 A HN 0.059 nan 8.150 nan 0.000 0.453 350 D N -1.160 119.376 120.400 0.226 0.000 2.613 350 D HA 0.205 4.845 4.640 -0.000 0.000 0.312 350 D C -2.199 174.357 176.300 0.428 0.000 1.202 350 D CA -1.074 53.103 54.000 0.295 0.000 0.825 350 D CB 0.862 41.858 40.800 0.327 0.000 1.113 350 D HN 0.091 nan 8.370 nan 0.000 0.502 351 P HA -0.114 nan 4.420 nan 0.000 0.217 351 P C 0.908 178.365 177.300 0.262 0.000 1.148 351 P CA 1.145 64.418 63.100 0.288 0.000 0.828 351 P CB 0.447 32.235 31.700 0.147 0.000 0.783 352 N N -1.067 117.714 118.700 0.135 0.000 2.203 352 N HA 0.051 4.791 4.740 -0.000 0.000 0.207 352 N C -0.063 175.410 175.510 -0.062 0.000 1.130 352 N CA 0.291 53.362 53.050 0.035 0.000 0.861 352 N CB 0.528 39.029 38.487 0.023 0.000 1.005 352 N HN 0.310 nan 8.380 nan 0.000 0.507 353 E N 0.735 120.875 120.200 -0.101 0.000 3.374 353 E HA 0.189 4.538 4.350 -0.000 0.000 0.223 353 E C -1.992 174.251 176.600 -0.594 0.000 1.210 353 E CA -1.547 54.713 56.400 -0.233 0.000 0.987 353 E CB 1.387 31.022 29.700 -0.108 0.000 1.322 353 E HN 0.015 nan 8.360 nan 0.000 0.404 354 P HA -0.224 nan 4.420 nan 0.000 0.222 354 P C 1.345 178.099 177.300 -0.910 0.000 1.147 354 P CA 0.951 62.936 63.100 -1.857 0.000 0.790 354 P CB 0.242 31.131 31.700 -1.351 0.000 0.780 355 E N 1.216 121.126 120.200 -0.483 0.000 2.265 355 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 355 E C 1.262 177.771 176.600 -0.152 0.000 0.996 355 E CA 1.290 57.546 56.400 -0.239 0.000 0.832 355 E CB -0.697 28.905 29.700 -0.162 0.000 0.756 355 E HN 0.299 nan 8.360 nan 0.000 0.491 356 K N -0.200 120.097 120.400 -0.171 0.000 2.305 356 K HA 0.025 4.345 4.320 -0.000 0.000 0.199 356 K C 0.242 176.936 176.600 0.156 0.000 1.047 356 K CA -0.009 56.276 56.287 -0.004 0.000 0.976 356 K CB 0.012 32.533 32.500 0.034 0.000 0.765 356 K HN 0.064 nan 8.250 nan 0.000 0.474 357 W N 2.447 123.747 121.300 -0.001 0.000 2.193 357 W HA 0.065 4.724 4.660 -0.001 0.000 0.338 357 W C 0.410 176.919 176.519 -0.016 0.000 1.310 357 W CA -1.004 56.345 57.345 0.007 0.000 1.243 357 W CB -0.355 29.121 29.460 0.025 0.000 1.165 357 W HN -0.047 nan 8.180 nan 0.000 0.566 358 L N 3.849 125.176 121.223 0.173 0.000 2.455 358 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 358 L C 1.159 178.095 176.870 0.110 0.000 1.174 358 L CA -0.140 54.743 54.840 0.073 0.000 0.869 358 L CB -0.050 41.995 42.059 -0.023 0.000 1.130 358 L HN 0.439 nan 8.230 nan 0.000 0.474 359 S N 2.182 117.935 115.700 0.087 0.000 2.652 359 S HA 0.443 4.913 4.470 -0.000 0.000 0.270 359 S C 1.128 175.763 174.600 0.059 0.000 1.243 359 S CA -0.237 58.014 58.200 0.084 0.000 0.999 359 S CB 1.713 64.956 63.200 0.073 0.000 0.973 359 S HN 0.678 nan 8.310 nan 0.000 0.544 360 A N 1.671 124.521 122.820 0.050 0.000 1.892 360 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 360 A C 2.371 179.983 177.584 0.048 0.000 1.188 360 A CA 1.619 53.672 52.037 0.026 0.000 0.631 360 A CB -0.872 18.138 19.000 0.016 0.000 0.822 360 A HN 0.915 nan 8.150 nan 0.000 0.447 361 R N -0.591 119.960 120.500 0.085 0.000 2.096 361 R HA -0.122 4.217 4.340 -0.000 0.000 0.235 361 R C 2.163 178.550 176.300 0.145 0.000 1.127 361 R CA 1.559 57.759 56.100 0.168 0.000 0.968 361 R CB -0.293 30.104 30.300 0.161 0.000 0.861 361 R HN 0.701 nan 8.270 nan 0.000 0.440 362 E N 0.487 120.732 120.200 0.076 0.000 2.110 362 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 362 E C 1.982 178.576 176.600 -0.010 0.000 0.988 362 E CA 0.985 57.404 56.400 0.032 0.000 0.804 362 E CB -0.019 29.704 29.700 0.038 0.000 0.745 362 E HN 0.281 nan 8.360 nan 0.000 0.458 363 L N 0.411 121.628 121.223 -0.009 0.000 2.072 363 L HA -0.158 4.181 4.340 -0.000 0.000 0.205 363 L C 2.355 179.135 176.870 -0.149 0.000 1.079 363 L CA 0.740 55.540 54.840 -0.068 0.000 0.752 363 L CB -0.226 41.778 42.059 -0.092 0.000 0.906 363 L HN 0.152 nan 8.230 nan 0.000 0.436 364 L N -0.683 120.488 121.223 -0.087 0.000 2.083 364 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 364 L C 2.822 179.485 176.870 -0.346 0.000 1.083 364 L CA 1.029 55.828 54.840 -0.068 0.000 0.752 364 L CB -0.500 41.679 42.059 0.200 0.000 0.899 364 L HN 0.242 nan 8.230 nan 0.000 0.433 365 R N 0.316 120.456 120.500 -0.600 0.000 2.081 365 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 365 R C 2.329 178.357 176.300 -0.454 0.000 1.131 365 R CA 1.518 57.000 56.100 -1.030 0.000 0.960 365 R CB -0.173 29.722 30.300 -0.675 0.000 0.856 365 R HN 0.297 nan 8.270 nan 0.000 0.436 366 M N -0.130 119.348 119.600 -0.204 0.000 2.108 366 M HA -0.155 4.324 4.480 -0.000 0.000 0.261 366 M C 2.225 178.518 176.300 -0.012 0.000 1.066 366 M CA 1.999 57.285 55.300 -0.023 0.000 1.107 366 M CB -0.183 32.523 32.600 0.176 0.000 1.356 366 M HN 0.242 nan 8.290 nan 0.000 0.406 367 A N -0.496 122.273 122.820 -0.087 0.000 2.235 367 A HA -0.016 4.304 4.320 -0.000 0.000 0.208 367 A C 1.826 179.382 177.584 -0.046 0.000 1.172 367 A CA 1.454 53.464 52.037 -0.045 0.000 0.786 367 A CB -0.638 18.284 19.000 -0.131 0.000 0.804 367 A HN 0.607 nan 8.150 nan 0.000 0.479 368 T N -3.595 110.886 114.554 -0.121 0.000 3.364 368 T HA 0.143 4.493 4.350 -0.000 0.000 0.179 368 T C 1.777 176.411 174.700 -0.109 0.000 0.939 368 T CA 0.438 62.489 62.100 -0.081 0.000 1.094 368 T CB -0.207 68.643 68.868 -0.030 0.000 1.532 368 T HN 0.171 nan 8.240 nan 0.000 0.346 369 R N 1.337 121.728 120.500 -0.182 0.000 2.081 369 R HA 0.069 4.409 4.340 -0.000 0.000 0.235 369 R C 2.609 178.837 176.300 -0.119 0.000 1.131 369 R CA 1.806 57.833 56.100 -0.123 0.000 0.960 369 R CB -1.100 29.129 30.300 -0.118 0.000 0.856 369 R HN 0.565 nan 8.270 nan 0.000 0.436 370 G N -0.495 108.222 108.800 -0.138 0.000 2.459 370 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 370 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 370 G C 1.457 176.301 174.900 -0.093 0.000 1.183 370 G CA 1.012 46.061 45.100 -0.085 0.000 0.776 370 G HN 0.354 nan 8.290 nan 0.000 0.552 371 S N 0.775 116.419 115.700 -0.093 0.000 2.383 371 S HA 0.044 4.514 4.470 -0.000 0.000 0.227 371 S C 2.778 177.232 174.600 -0.242 0.000 1.026 371 S CA 1.139 59.252 58.200 -0.145 0.000 0.981 371 S CB -0.334 62.814 63.200 -0.086 0.000 0.818 371 S HN 0.601 nan 8.310 nan 0.000 0.472 372 A N 1.511 124.223 122.820 -0.179 0.000 1.908 372 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 372 A C 1.961 179.420 177.584 -0.209 0.000 1.181 372 A CA 1.646 53.572 52.037 -0.186 0.000 0.627 372 A CB -0.562 18.378 19.000 -0.101 0.000 0.818 372 A HN 0.554 nan 8.150 nan 0.000 0.445 373 E N -0.944 119.158 120.200 -0.164 0.000 2.106 373 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 373 E C 2.029 178.506 176.600 -0.205 0.000 0.984 373 E CA 1.169 57.485 56.400 -0.140 0.000 0.806 373 E CB -0.396 29.254 29.700 -0.083 0.000 0.750 373 E HN 0.674 nan 8.360 nan 0.000 0.458 374 C N 0.415 119.542 119.300 -0.287 0.000 2.413 374 C HA -0.132 4.327 4.460 -0.000 0.000 0.276 374 C C 2.196 176.665 174.990 -0.869 0.000 1.248 374 C CA 0.458 59.198 59.018 -0.464 0.000 1.742 374 C CB -0.657 26.738 27.740 -0.574 0.000 2.017 374 C HN 0.345 nan 8.230 nan 0.000 0.481 375 L N 0.549 121.246 121.223 -0.877 0.000 2.599 375 L HA 0.219 4.558 4.340 -0.000 0.000 0.230 375 L C 1.760 178.390 176.870 -0.399 0.000 1.141 375 L CA 1.418 55.698 54.840 -0.933 0.000 0.877 375 L CB -1.221 40.302 42.059 -0.893 0.000 1.009 375 L HN 0.486 nan 8.230 nan 0.000 0.447 376 G N 0.681 109.322 108.800 -0.265 0.000 2.298 376 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.287 376 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.287 376 G C 0.127 174.985 174.900 -0.071 0.000 1.075 376 G CA -0.201 44.832 45.100 -0.112 0.000 0.960 376 G HN 0.173 nan 8.290 nan 0.000 0.502 377 R N -0.428 120.013 120.500 -0.098 0.000 2.402 377 R HA 0.309 4.649 4.340 -0.000 0.000 0.290 377 R C -2.066 174.207 176.300 -0.044 0.000 1.321 377 R CA -1.961 54.106 56.100 -0.055 0.000 1.283 377 R CB 1.525 31.787 30.300 -0.064 0.000 1.111 377 R HN 0.136 nan 8.270 nan 0.000 0.578 378 P HA -0.065 nan 4.420 nan 0.000 0.237 378 P C 0.475 177.774 177.300 -0.001 0.000 1.178 378 P CA 0.771 63.858 63.100 -0.021 0.000 0.766 378 P CB 0.328 32.012 31.700 -0.027 0.000 0.876 379 D N -1.365 119.034 120.400 -0.000 0.000 2.340 379 D HA 0.009 4.649 4.640 -0.000 0.000 0.220 379 D C 0.590 176.963 176.300 0.120 0.000 1.039 379 D CA 0.348 54.383 54.000 0.058 0.000 0.866 379 D CB -0.137 40.654 40.800 -0.015 0.000 0.913 379 D HN 0.188 nan 8.370 nan 0.000 0.523 380 L N -1.869 119.392 121.223 0.062 0.000 2.256 380 L HA 0.606 4.946 4.340 -0.000 0.000 0.261 380 L C 1.405 178.298 176.870 0.039 0.000 1.022 380 L CA -0.812 54.061 54.840 0.056 0.000 0.828 380 L CB 1.644 43.716 42.059 0.021 0.000 1.374 380 L HN 0.052 nan 8.230 nan 0.000 0.436 381 G N 0.257 109.084 108.800 0.045 0.000 2.184 381 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.264 381 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.264 381 G C -0.318 174.644 174.900 0.104 0.000 0.975 381 G CA 0.151 45.280 45.100 0.048 0.000 0.642 381 G HN 0.337 nan 8.290 nan 0.000 0.536 382 V N 0.811 120.790 119.914 0.108 0.000 2.733 382 V HA 0.484 4.603 4.120 -0.000 0.000 0.306 382 V C 0.286 176.439 176.094 0.099 0.000 1.084 382 V CA -0.850 61.528 62.300 0.130 0.000 0.905 382 V CB 1.983 33.869 31.823 0.104 0.000 1.010 382 V HN 0.247 nan 8.190 nan 0.000 0.424 383 L N 5.652 126.928 121.223 0.088 0.000 2.375 383 L HA 0.551 4.891 4.340 -0.000 0.000 0.276 383 L C 0.278 177.171 176.870 0.038 0.000 1.162 383 L CA 0.253 55.124 54.840 0.052 0.000 0.991 383 L CB -0.134 41.945 42.059 0.033 0.000 1.315 383 L HN 0.882 nan 8.230 nan 0.000 0.431 384 E N 1.510 121.735 120.200 0.043 0.000 2.412 384 E HA 0.236 4.586 4.350 -0.000 0.000 0.279 384 E C -1.029 175.594 176.600 0.039 0.000 0.984 384 E CA -1.036 55.385 56.400 0.036 0.000 0.788 384 E CB 1.263 30.987 29.700 0.040 0.000 1.277 384 E HN 0.299 nan 8.360 nan 0.000 0.455 385 E N 0.575 120.794 120.200 0.032 0.000 2.765 385 E HA 0.048 4.398 4.350 -0.000 0.000 0.256 385 E C 0.743 177.378 176.600 0.059 0.000 0.935 385 E CA 1.816 58.237 56.400 0.035 0.000 0.954 385 E CB -0.251 29.466 29.700 0.028 0.000 0.908 385 E HN 0.889 nan 8.360 nan 0.000 0.500 386 G N 4.357 113.203 108.800 0.077 0.000 2.241 386 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 386 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 386 G C 0.269 175.308 174.900 0.232 0.000 0.998 386 G CA 0.185 45.370 45.100 0.141 0.000 0.621 386 G HN 0.551 nan 8.290 nan 0.000 0.519 387 R N 0.898 121.498 120.500 0.167 0.000 2.583 387 R HA 0.688 5.027 4.340 -0.000 0.000 0.268 387 R C 0.836 177.245 176.300 0.181 0.000 1.101 387 R CA 0.124 56.353 56.100 0.217 0.000 1.180 387 R CB 0.206 30.581 30.300 0.126 0.000 1.128 387 R HN 0.724 nan 8.270 nan 0.000 0.568 388 A N 0.722 123.683 122.820 0.235 0.000 2.483 388 A HA 0.314 4.634 4.320 -0.000 0.000 0.238 388 A C 0.402 177.952 177.584 -0.056 0.000 1.070 388 A CA 0.244 52.277 52.037 -0.005 0.000 0.770 388 A CB 0.100 19.194 19.000 0.157 0.000 1.008 388 A HN 0.751 nan 8.150 nan 0.000 0.497 389 A N 2.875 125.609 122.820 -0.144 0.000 3.063 389 A HA 0.432 4.752 4.320 -0.000 0.000 0.263 389 A C -0.668 176.886 177.584 -0.051 0.000 1.736 389 A CA -0.264 51.720 52.037 -0.089 0.000 1.408 389 A CB -0.744 18.186 19.000 -0.116 0.000 1.108 389 A HN 0.621 nan 8.150 nan 0.000 0.621 390 D N 1.134 121.526 120.400 -0.014 0.000 2.414 390 D HA 0.599 5.239 4.640 -0.000 0.000 0.232 390 D C -0.472 175.835 176.300 0.012 0.000 1.070 390 D CA 0.313 54.315 54.000 0.003 0.000 0.839 390 D CB 1.088 41.904 40.800 0.027 0.000 1.079 390 D HN 0.400 nan 8.370 nan 0.000 0.521 391 I N 1.055 121.620 120.570 -0.007 0.000 2.619 391 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 391 I C -0.617 175.472 176.117 -0.046 0.000 1.100 391 I CA -1.099 60.198 61.300 -0.005 0.000 1.043 391 I CB 2.227 40.216 38.000 -0.018 0.000 1.239 391 I HN 0.278 nan 8.210 nan 0.000 0.420 392 A N 4.806 127.604 122.820 -0.036 0.000 2.356 392 A HA 0.814 5.133 4.320 -0.000 0.000 0.310 392 A C -1.111 176.332 177.584 -0.234 0.000 1.075 392 A CA -0.400 51.507 52.037 -0.216 0.000 0.746 392 A CB 1.215 20.093 19.000 -0.202 0.000 1.221 392 A HN 0.776 nan 8.150 nan 0.000 0.443 393 C N 2.215 121.253 119.300 -0.436 0.000 2.498 393 C HA 0.734 5.193 4.460 -0.000 0.000 0.316 393 C C -0.533 174.218 174.990 -0.398 0.000 1.209 393 C CA -0.849 58.047 59.018 -0.203 0.000 1.518 393 C CB 0.529 28.205 27.740 -0.106 0.000 2.147 393 C HN 0.813 nan 8.230 nan 0.000 0.483 394 W N 1.657 122.956 121.300 -0.002 0.000 2.689 394 W HA 0.487 5.147 4.660 -0.000 0.000 0.340 394 W C 0.053 176.568 176.519 -0.006 0.000 1.060 394 W CA -0.731 56.612 57.345 -0.003 0.000 1.218 394 W CB 1.124 30.583 29.460 -0.002 0.000 1.410 394 W HN 0.539 nan 8.180 nan 0.000 0.528 395 R N 2.072 122.682 120.500 0.185 0.000 2.543 395 R HA 0.205 4.545 4.340 -0.000 0.000 0.277 395 R C 0.723 177.092 176.300 0.115 0.000 1.074 395 R CA -0.121 56.045 56.100 0.110 0.000 1.076 395 R CB 0.948 31.287 30.300 0.064 0.000 0.993 395 R HN 0.481 nan 8.270 nan 0.000 0.459 396 L N 1.333 122.598 121.223 0.070 0.000 2.664 396 L HA 0.055 4.395 4.340 -0.000 0.000 0.233 396 L C 0.545 177.428 176.870 0.022 0.000 1.113 396 L CA 0.180 55.047 54.840 0.045 0.000 0.896 396 L CB 0.086 42.163 42.059 0.031 0.000 1.163 396 L HN 0.619 nan 8.230 nan 0.000 0.497 397 D N -0.461 119.953 120.400 0.023 0.000 2.427 397 D HA 0.118 4.758 4.640 -0.000 0.000 0.224 397 D C 0.837 177.143 176.300 0.011 0.000 1.157 397 D CA -0.158 53.848 54.000 0.010 0.000 0.828 397 D CB -0.008 40.796 40.800 0.007 0.000 0.974 397 D HN 0.026 nan 8.370 nan 0.000 0.498 398 G N -0.335 108.475 108.800 0.017 0.000 2.537 398 G HA2 0.257 4.217 3.960 -0.000 0.000 0.273 398 G HA3 0.257 4.217 3.960 -0.000 0.000 0.273 398 G C 0.869 175.774 174.900 0.008 0.000 1.189 398 G CA -0.606 44.504 45.100 0.016 0.000 0.881 398 G HN 0.081 nan 8.290 nan 0.000 0.535 399 V N 0.498 120.416 119.914 0.007 0.000 2.594 399 V HA -0.110 4.010 4.120 -0.000 0.000 0.253 399 V C 2.253 178.349 176.094 0.003 0.000 1.069 399 V CA 2.552 64.854 62.300 0.003 0.000 1.082 399 V CB -0.427 31.398 31.823 0.004 0.000 0.680 399 V HN 0.846 nan 8.190 nan 0.000 0.469 400 D N -0.655 119.749 120.400 0.007 0.000 2.363 400 D HA -0.116 4.524 4.640 -0.000 0.000 0.226 400 D C 1.713 178.014 176.300 0.001 0.000 1.020 400 D CA 0.554 54.558 54.000 0.006 0.000 0.892 400 D CB -0.290 40.516 40.800 0.010 0.000 0.900 400 D HN 0.484 nan 8.370 nan 0.000 0.531 401 R N 0.553 121.053 120.500 -0.001 0.000 2.565 401 R HA 0.179 4.519 4.340 -0.000 0.000 0.347 401 R C 0.205 176.491 176.300 -0.024 0.000 1.010 401 R CA -0.226 55.868 56.100 -0.009 0.000 1.126 401 R CB 1.453 31.751 30.300 -0.004 0.000 1.331 401 R HN 0.108 nan 8.270 nan 0.000 0.552 402 V N -0.980 118.921 119.914 -0.022 0.000 2.763 402 V HA 0.413 4.533 4.120 -0.000 0.000 0.306 402 V C 1.189 177.252 176.094 -0.051 0.000 1.059 402 V CA 0.698 62.977 62.300 -0.036 0.000 1.138 402 V CB 0.807 32.617 31.823 -0.023 0.000 0.940 402 V HN 0.527 nan 8.190 nan 0.000 0.489 403 G N 2.186 110.926 108.800 -0.100 0.000 2.176 403 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.253 403 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.253 403 G C 0.073 174.849 174.900 -0.207 0.000 0.979 403 G CA -0.078 44.939 45.100 -0.137 0.000 0.641 403 G HN 1.358 nan 8.290 nan 0.000 0.530 404 V N 2.116 121.934 119.914 -0.160 0.000 2.521 404 V HA 0.274 4.394 4.120 -0.000 0.000 0.286 404 V C 1.556 177.524 176.094 -0.210 0.000 1.034 404 V CA 0.054 62.292 62.300 -0.102 0.000 1.045 404 V CB 1.066 32.861 31.823 -0.048 0.000 0.974 404 V HN 0.406 nan 8.190 nan 0.000 0.480 405 H N 2.008 121.078 119.070 -0.000 0.000 2.516 405 H HA 0.141 4.697 4.556 -0.001 0.000 0.284 405 H C 0.292 175.619 175.328 -0.002 0.000 0.999 405 H CA 0.328 56.376 56.048 -0.000 0.000 1.303 405 H CB 0.835 30.598 29.762 0.002 0.000 1.452 405 H HN 0.582 nan 8.280 nan 0.000 0.530 406 D N 0.585 121.046 120.400 0.102 0.000 2.462 406 D HA 0.136 4.775 4.640 -0.000 0.000 0.245 406 D C -2.090 174.221 176.300 0.018 0.000 1.122 406 D CA -2.142 51.888 54.000 0.050 0.000 0.864 406 D CB 2.277 43.105 40.800 0.047 0.000 1.098 406 D HN -0.056 nan 8.370 nan 0.000 0.541 407 P HA -0.051 nan 4.420 nan 0.000 0.218 407 P C 1.028 178.312 177.300 -0.025 0.000 1.149 407 P CA 0.993 64.087 63.100 -0.011 0.000 0.817 407 P CB 0.345 32.042 31.700 -0.005 0.000 0.785 408 A N -0.525 122.280 122.820 -0.024 0.000 1.898 408 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 408 A C 2.209 179.771 177.584 -0.035 0.000 1.181 408 A CA 1.250 53.266 52.037 -0.035 0.000 0.620 408 A CB -1.503 17.481 19.000 -0.026 0.000 0.819 408 A HN 0.097 nan 8.150 nan 0.000 0.442 409 I N -0.227 120.336 120.570 -0.013 0.000 2.286 409 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 409 I C 2.649 178.752 176.117 -0.024 0.000 1.115 409 I CA 1.103 62.399 61.300 -0.007 0.000 1.392 409 I CB -0.617 37.394 38.000 0.018 0.000 1.065 409 I HN 0.406 nan 8.210 nan 0.000 0.418 410 G N 0.920 109.706 108.800 -0.024 0.000 2.432 410 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 410 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 410 G C 1.623 176.479 174.900 -0.074 0.000 1.135 410 G CA 0.299 45.379 45.100 -0.033 0.000 0.767 410 G HN 0.207 nan 8.290 nan 0.000 0.550 411 L N 0.590 121.744 121.223 -0.114 0.000 2.083 411 L HA 0.027 4.367 4.340 -0.000 0.000 0.209 411 L C 2.448 179.189 176.870 -0.215 0.000 1.083 411 L CA 1.209 55.919 54.840 -0.217 0.000 0.752 411 L CB -0.184 41.691 42.059 -0.307 0.000 0.899 411 L HN 0.105 nan 8.230 nan 0.000 0.433 412 I N -1.452 119.029 120.570 -0.149 0.000 2.400 412 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 412 I C 1.882 177.951 176.117 -0.079 0.000 1.109 412 I CA 0.917 62.144 61.300 -0.122 0.000 1.425 412 I CB -0.795 37.150 38.000 -0.090 0.000 1.094 412 I HN 0.256 nan 8.210 nan 0.000 0.425 413 M N 0.132 119.700 119.600 -0.054 0.000 2.428 413 M HA 0.128 4.608 4.480 -0.000 0.000 0.239 413 M C 0.746 177.031 176.300 -0.024 0.000 1.121 413 M CA 0.306 55.588 55.300 -0.029 0.000 1.019 413 M CB -0.567 32.028 32.600 -0.008 0.000 1.485 413 M HN 0.292 nan 8.290 nan 0.000 0.484 414 T N -1.994 112.538 114.554 -0.035 0.000 2.865 414 T HA 0.819 5.168 4.350 -0.000 0.000 0.294 414 T C 0.040 174.722 174.700 -0.030 0.000 1.119 414 T CA -0.213 61.873 62.100 -0.024 0.000 1.007 414 T CB 2.771 71.630 68.868 -0.016 0.000 1.225 414 T HN 0.398 nan 8.240 nan 0.000 0.515 415 G N -0.151 108.640 108.800 -0.015 0.000 2.592 415 G HA2 0.104 4.064 3.960 -0.000 0.000 0.685 415 G HA3 0.104 4.064 3.960 -0.000 0.000 0.685 415 G C -0.134 174.768 174.900 0.002 0.000 1.278 415 G CA -0.427 44.669 45.100 -0.006 0.000 0.822 415 G HN 0.952 nan 8.290 nan 0.000 0.652 416 L N 0.132 121.363 121.223 0.013 0.000 2.509 416 L HA 0.404 4.743 4.340 -0.000 0.000 0.222 416 L C 1.374 178.259 176.870 0.026 0.000 1.123 416 L CA 1.214 56.064 54.840 0.017 0.000 0.856 416 L CB 0.388 42.458 42.059 0.018 0.000 0.985 416 L HN 0.611 nan 8.230 nan 0.000 0.456 417 S N -1.236 114.486 115.700 0.037 0.000 2.546 417 S HA 0.264 4.733 4.470 -0.000 0.000 0.272 417 S C -0.490 174.165 174.600 0.091 0.000 1.140 417 S CA -0.709 57.528 58.200 0.062 0.000 0.920 417 S CB 1.407 64.649 63.200 0.070 0.000 1.083 417 S HN 0.053 nan 8.310 nan 0.000 0.476 418 D N 1.960 122.427 120.400 0.111 0.000 2.340 418 D HA 0.130 4.770 4.640 -0.000 0.000 0.217 418 D C 0.104 176.631 176.300 0.378 0.000 1.081 418 D CA -0.081 54.026 54.000 0.177 0.000 0.842 418 D CB 0.279 41.141 40.800 0.102 0.000 0.934 418 D HN 0.304 nan 8.370 nan 0.000 0.511 419 R N 1.335 121.985 120.500 0.251 0.000 2.484 419 R HA 0.273 4.613 4.340 -0.000 0.000 0.293 419 R C 0.274 176.645 176.300 0.118 0.000 1.023 419 R CA -0.034 56.168 56.100 0.170 0.000 1.037 419 R CB 0.425 30.773 30.300 0.079 0.000 0.951 419 R HN -0.011 nan 8.270 nan 0.000 0.418 420 A N 2.028 124.751 122.820 -0.162 0.000 2.371 420 A HA 0.129 4.448 4.320 -0.000 0.000 0.257 420 A C 1.307 178.645 177.584 -0.410 0.000 1.089 420 A CA -0.055 51.521 52.037 -0.769 0.000 0.794 420 A CB 0.911 19.364 19.000 -0.912 0.000 1.029 420 A HN 0.774 nan 8.150 nan 0.000 0.488 421 S N 0.351 115.800 115.700 -0.419 0.000 2.387 421 S HA 0.126 4.596 4.470 -0.000 0.000 0.221 421 S C 0.371 174.852 174.600 -0.198 0.000 1.041 421 S CA 0.971 59.046 58.200 -0.208 0.000 0.959 421 S CB -0.330 62.793 63.200 -0.128 0.000 0.843 421 S HN 0.913 nan 8.310 nan 0.000 0.488 422 L N 1.999 123.071 121.223 -0.251 0.000 2.409 422 L HA 0.697 5.037 4.340 -0.000 0.000 0.272 422 L C -1.733 175.003 176.870 -0.223 0.000 0.980 422 L CA -0.446 54.284 54.840 -0.183 0.000 0.826 422 L CB 2.068 44.049 42.059 -0.130 0.000 1.268 422 L HN 0.011 nan 8.230 nan 0.000 0.407 423 V N 5.475 125.287 119.914 -0.170 0.000 2.577 423 V HA 0.649 4.769 4.120 -0.000 0.000 0.303 423 V C -0.707 175.331 176.094 -0.094 0.000 1.042 423 V CA -0.668 61.540 62.300 -0.152 0.000 0.872 423 V CB 2.015 33.748 31.823 -0.150 0.000 0.998 423 V HN 0.510 nan 8.190 nan 0.000 0.423 424 V N 5.116 124.985 119.914 -0.075 0.000 2.540 424 V HA 0.647 4.767 4.120 -0.000 0.000 0.302 424 V C -0.493 175.577 176.094 -0.039 0.000 1.035 424 V CA -0.627 61.640 62.300 -0.054 0.000 0.873 424 V CB 2.111 33.903 31.823 -0.053 0.000 0.992 424 V HN 0.604 nan 8.190 nan 0.000 0.428 425 V N 3.824 123.719 119.914 -0.031 0.000 2.525 425 V HA 0.495 4.615 4.120 -0.000 0.000 0.299 425 V C 0.419 176.500 176.094 -0.021 0.000 1.034 425 V CA -0.704 61.587 62.300 -0.015 0.000 0.863 425 V CB 1.340 33.164 31.823 0.001 0.000 0.999 425 V HN 0.980 nan 8.190 nan 0.000 0.423 426 N N 3.489 122.171 118.700 -0.029 0.000 2.725 426 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 426 N C 1.085 176.545 175.510 -0.085 0.000 1.103 426 N CA 1.904 54.920 53.050 -0.056 0.000 0.707 426 N CB -0.976 37.502 38.487 -0.014 0.000 1.043 426 N HN 1.718 nan 8.380 nan 0.000 0.553 427 G N -1.340 107.408 108.800 -0.086 0.000 2.184 427 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.264 427 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.264 427 G C -0.150 174.715 174.900 -0.058 0.000 0.975 427 G CA 0.651 45.702 45.100 -0.083 0.000 0.642 427 G HN 0.766 nan 8.290 nan 0.000 0.536 428 Q N 0.400 120.172 119.800 -0.046 0.000 2.290 428 Q HA 0.564 4.903 4.340 -0.000 0.000 0.259 428 Q C 0.077 176.054 176.000 -0.038 0.000 0.941 428 Q CA -0.737 55.044 55.803 -0.037 0.000 0.912 428 Q CB 1.512 30.233 28.738 -0.028 0.000 1.244 428 Q HN 0.176 nan 8.270 nan 0.000 0.441 429 V N 6.965 126.855 119.914 -0.039 0.000 2.439 429 V HA 0.011 4.131 4.120 -0.000 0.000 0.271 429 V C 0.842 176.911 176.094 -0.041 0.000 1.040 429 V CA 0.487 62.761 62.300 -0.044 0.000 1.002 429 V CB 0.531 32.328 31.823 -0.043 0.000 1.000 429 V HN 0.898 nan 8.190 nan 0.000 0.477 430 L N 4.934 126.129 121.223 -0.046 0.000 2.642 430 L HA 0.324 4.664 4.340 -0.000 0.000 0.233 430 L C -0.014 176.827 176.870 -0.048 0.000 1.077 430 L CA 0.425 55.240 54.840 -0.041 0.000 0.879 430 L CB 0.858 42.896 42.059 -0.035 0.000 1.151 430 L HN 0.425 nan 8.230 nan 0.000 0.495 431 V N 0.203 120.078 119.914 -0.065 0.000 2.638 431 V HA 0.416 4.535 4.120 -0.000 0.000 0.306 431 V C -0.941 175.104 176.094 -0.082 0.000 1.052 431 V CA -0.594 61.661 62.300 -0.075 0.000 0.885 431 V CB 2.498 34.262 31.823 -0.099 0.000 0.999 431 V HN 0.101 nan 8.190 nan 0.000 0.424 432 E N 2.878 123.037 120.200 -0.068 0.000 2.343 432 E HA 0.454 4.804 4.350 -0.000 0.000 0.278 432 E C -0.337 176.230 176.600 -0.055 0.000 0.910 432 E CA -0.667 55.694 56.400 -0.065 0.000 0.757 432 E CB 1.476 31.145 29.700 -0.051 0.000 1.218 432 E HN 0.763 nan 8.360 nan 0.000 0.435 433 N N 3.351 122.018 118.700 -0.055 0.000 2.727 433 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 433 N C -0.776 174.709 175.510 -0.041 0.000 1.048 433 N CA 1.094 54.119 53.050 -0.041 0.000 0.714 433 N CB -0.794 37.675 38.487 -0.029 0.000 0.959 433 N HN 0.776 nan 8.380 nan 0.000 0.544 434 E N -2.619 117.546 120.200 -0.059 0.000 2.971 434 E HA -0.312 4.038 4.350 -0.000 0.000 0.278 434 E C -0.396 176.180 176.600 -0.039 0.000 1.009 434 E CA 0.978 57.346 56.400 -0.053 0.000 0.862 434 E CB -0.566 29.116 29.700 -0.029 0.000 1.436 434 E HN 0.559 nan 8.360 nan 0.000 0.434 435 R N -0.125 120.350 120.500 -0.041 0.000 2.686 435 R HA 0.381 4.721 4.340 -0.000 0.000 0.283 435 R C -2.747 173.532 176.300 -0.035 0.000 0.978 435 R CA -2.186 53.896 56.100 -0.031 0.000 0.897 435 R CB 1.522 31.808 30.300 -0.023 0.000 1.192 435 R HN -0.190 nan 8.270 nan 0.000 0.457 436 P HA -0.034 nan 4.420 nan 0.000 0.268 436 P C 0.413 177.697 177.300 -0.026 0.000 1.204 436 P CA -0.032 63.051 63.100 -0.028 0.000 0.768 436 P CB 0.770 32.458 31.700 -0.021 0.000 0.842 437 V N 3.479 123.375 119.914 -0.029 0.000 2.446 437 V HA -0.114 4.006 4.120 -0.000 0.000 0.244 437 V C 1.874 177.956 176.094 -0.021 0.000 1.039 437 V CA 1.750 64.034 62.300 -0.026 0.000 1.045 437 V CB -0.747 31.058 31.823 -0.030 0.000 0.681 437 V HN 0.509 nan 8.190 nan 0.000 0.459 438 L N -0.722 120.489 121.223 -0.020 0.000 2.547 438 L HA 0.450 4.790 4.340 -0.000 0.000 0.218 438 L C 1.345 178.206 176.870 -0.015 0.000 1.048 438 L CA 0.347 55.177 54.840 -0.017 0.000 0.859 438 L CB -0.222 41.828 42.059 -0.017 0.000 1.128 438 L HN 0.193 nan 8.230 nan 0.000 0.483 439 A N 0.506 123.317 122.820 -0.016 0.000 2.425 439 A HA 0.066 4.386 4.320 -0.000 0.000 0.249 439 A C -0.337 177.240 177.584 -0.012 0.000 1.084 439 A CA -0.070 51.959 52.037 -0.014 0.000 0.781 439 A CB 0.082 19.073 19.000 -0.015 0.000 1.019 439 A HN 0.159 nan 8.150 nan 0.000 0.490 440 D N 2.703 123.097 120.400 -0.010 0.000 2.494 440 D HA 0.141 4.780 4.640 -0.000 0.000 0.217 440 D C 0.978 177.275 176.300 -0.007 0.000 1.153 440 D CA -0.170 53.825 54.000 -0.008 0.000 0.954 440 D CB 0.266 41.062 40.800 -0.007 0.000 1.034 440 D HN 0.496 nan 8.370 nan 0.000 0.518 441 L N 3.333 124.552 121.223 -0.007 0.000 2.012 441 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 441 L C 1.631 178.500 176.870 -0.002 0.000 1.073 441 L CA 1.580 56.417 54.840 -0.004 0.000 0.748 441 L CB 0.187 42.243 42.059 -0.005 0.000 0.891 441 L HN 0.237 nan 8.230 nan 0.000 0.431 442 E N -0.508 119.690 120.200 -0.003 0.000 2.077 442 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 442 E C 2.159 178.758 176.600 -0.001 0.000 0.989 442 E CA 1.115 57.514 56.400 -0.001 0.000 0.800 442 E CB -0.203 29.496 29.700 -0.002 0.000 0.746 442 E HN 0.256 nan 8.360 nan 0.000 0.452 443 R N 0.727 121.226 120.500 -0.002 0.000 2.075 443 R HA 0.019 4.359 4.340 -0.000 0.000 0.232 443 R C 2.011 178.310 176.300 -0.002 0.000 1.126 443 R CA 1.161 57.259 56.100 -0.002 0.000 0.963 443 R CB -0.529 29.770 30.300 -0.003 0.000 0.858 443 R HN 0.214 nan 8.270 nan 0.000 0.435 444 I N -0.349 120.220 120.570 -0.002 0.000 2.226 444 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 444 I C 2.012 178.130 176.117 0.002 0.000 1.100 444 I CA 1.140 62.439 61.300 -0.001 0.000 1.374 444 I CB -0.243 37.755 38.000 -0.002 0.000 1.057 444 I HN -0.001 nan 8.210 nan 0.000 0.413 445 V N 1.043 120.958 119.914 0.002 0.000 2.295 445 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 445 V C 2.709 178.805 176.094 0.002 0.000 1.049 445 V CA 2.098 64.401 62.300 0.004 0.000 1.024 445 V CB -1.000 30.826 31.823 0.004 0.000 0.648 445 V HN 0.503 nan 8.190 nan 0.000 0.447 446 A N 0.338 123.158 122.820 0.001 0.000 1.877 446 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 446 A C 2.069 179.652 177.584 -0.001 0.000 1.186 446 A CA 2.107 54.143 52.037 -0.001 0.000 0.620 446 A CB -0.698 18.301 19.000 -0.001 0.000 0.822 446 A HN 0.590 nan 8.150 nan 0.000 0.443 447 N N -0.273 118.427 118.700 0.000 0.000 2.120 447 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 447 N C 1.748 177.259 175.510 0.003 0.000 1.024 447 N CA 1.990 55.041 53.050 0.001 0.000 0.852 447 N CB -0.868 37.620 38.487 0.001 0.000 1.003 447 N HN 0.496 nan 8.380 nan 0.000 0.424 448 T N 0.268 114.825 114.554 0.005 0.000 2.812 448 T HA -0.049 4.301 4.350 -0.000 0.000 0.264 448 T C 1.875 176.578 174.700 0.005 0.000 1.042 448 T CA 1.394 63.500 62.100 0.010 0.000 1.140 448 T CB -0.501 68.376 68.868 0.015 0.000 0.870 448 T HN 0.277 nan 8.240 nan 0.000 0.445 449 T N 2.212 116.766 114.554 0.000 0.000 2.759 449 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 449 T C 2.348 177.038 174.700 -0.016 0.000 1.042 449 T CA 1.192 63.288 62.100 -0.007 0.000 1.140 449 T CB -0.520 68.345 68.868 -0.005 0.000 0.864 449 T HN 0.434 nan 8.240 nan 0.000 0.455 450 A N 0.797 123.610 122.820 -0.012 0.000 2.019 450 A HA 0.084 4.403 4.320 -0.000 0.000 0.219 450 A C 2.093 179.664 177.584 -0.022 0.000 1.164 450 A CA 1.036 53.063 52.037 -0.016 0.000 0.644 450 A CB -0.578 18.417 19.000 -0.009 0.000 0.805 450 A HN 0.522 nan 8.150 nan 0.000 0.449 451 L N 0.107 121.321 121.223 -0.015 0.000 2.585 451 L HA 0.154 4.494 4.340 -0.000 0.000 0.226 451 L C -0.190 176.659 176.870 -0.035 0.000 1.113 451 L CA -0.498 54.336 54.840 -0.011 0.000 0.876 451 L CB -0.045 42.023 42.059 0.015 0.000 1.072 451 L HN 0.189 nan 8.230 nan 0.000 0.468 452 I N 1.824 122.359 120.570 -0.059 0.000 2.587 452 I HA 0.083 4.252 4.170 -0.000 0.000 0.284 452 I C -1.453 174.509 176.117 -0.259 0.000 1.134 452 I CA -1.577 59.649 61.300 -0.124 0.000 1.410 452 I CB -0.490 37.454 38.000 -0.093 0.000 1.392 452 I HN -0.088 nan 8.210 nan 0.000 0.545 453 P HA 0.000 nan 4.420 nan 0.000 0.216 453 P CA 0.000 62.633 63.100 -0.779 0.000 0.800 453 P CB 0.000 30.563 31.700 -1.894 0.000 0.726