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 2df7_1_E DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPXXXXXL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFMEVA 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.078 176.117 -0.066 0.000 1.063 11 I CA 0.000 61.229 61.300 -0.119 0.000 1.566 11 I CB 0.000 37.924 38.000 -0.127 0.000 1.214 12 V N 10.114 129.973 119.914 -0.092 0.000 2.628 12 V HA -0.032 4.087 4.120 -0.000 0.000 0.282 12 V C -1.442 174.693 176.094 0.069 0.000 0.968 12 V CA -0.143 62.149 62.300 -0.014 0.000 1.171 12 V CB -0.530 31.296 31.823 0.005 0.000 0.899 12 V HN 0.758 nan 8.190 nan 0.000 0.462 13 P HA -0.238 nan 4.420 nan 0.000 0.218 13 P C 1.606 178.971 177.300 0.108 0.000 1.154 13 P CA 1.511 64.659 63.100 0.081 0.000 0.872 13 P CB 0.005 31.753 31.700 0.079 0.000 0.790 14 F N 0.016 119.985 119.950 0.032 0.000 2.095 14 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 14 F C 1.980 177.819 175.800 0.066 0.000 1.104 14 F CA 1.417 59.436 58.000 0.032 0.000 1.232 14 F CB -0.698 38.302 39.000 -0.001 0.000 0.987 14 F HN -0.226 nan 8.300 nan 0.000 0.475 15 I N 0.529 121.120 120.570 0.034 0.000 2.286 15 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 15 I C 2.586 178.662 176.117 -0.068 0.000 1.115 15 I CA 1.398 62.711 61.300 0.022 0.000 1.392 15 I CB -1.368 36.835 38.000 0.338 0.000 1.065 15 I HN 0.242 nan 8.210 nan 0.000 0.418 16 R N 0.424 120.938 120.500 0.023 0.000 2.081 16 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 16 R C 2.534 178.764 176.300 -0.117 0.000 1.131 16 R CA 1.901 58.011 56.100 0.016 0.000 0.960 16 R CB -0.154 30.202 30.300 0.093 0.000 0.856 16 R HN 0.226 nan 8.270 nan 0.000 0.436 17 S N 0.526 116.127 115.700 -0.164 0.000 2.368 17 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 17 S C 1.929 176.363 174.600 -0.275 0.000 1.029 17 S CA 1.098 59.184 58.200 -0.190 0.000 0.988 17 S CB -0.273 62.823 63.200 -0.173 0.000 0.838 17 S HN 0.338 nan 8.310 nan 0.000 0.462 18 L N 1.648 122.582 121.223 -0.482 0.000 2.017 18 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 18 L C 1.989 178.749 176.870 -0.185 0.000 1.073 18 L CA 1.891 56.488 54.840 -0.405 0.000 0.745 18 L CB -0.693 41.029 42.059 -0.561 0.000 0.894 18 L HN 0.398 nan 8.230 nan 0.000 0.432 19 L N -1.528 119.586 121.223 -0.182 0.000 2.341 19 L HA 0.035 4.375 4.340 -0.000 0.000 0.214 19 L C 0.792 177.640 176.870 -0.036 0.000 1.115 19 L CA 0.416 55.200 54.840 -0.093 0.000 0.820 19 L CB -0.098 41.807 42.059 -0.257 0.000 0.944 19 L HN 0.259 nan 8.230 nan 0.000 0.452 20 M N -0.787 118.752 119.600 -0.103 0.000 2.720 20 M HA 0.234 4.714 4.480 -0.000 0.000 0.250 20 M C -1.967 174.310 176.300 -0.039 0.000 1.280 20 M CA -1.282 54.000 55.300 -0.031 0.000 0.579 20 M CB 1.535 34.075 32.600 -0.101 0.000 1.469 20 M HN -0.263 nan 8.290 nan 0.000 0.416 21 P HA -0.201 nan 4.420 nan 0.000 0.217 21 P C 1.418 178.693 177.300 -0.041 0.000 1.148 21 P CA 1.714 64.774 63.100 -0.067 0.000 0.834 21 P CB -0.160 31.486 31.700 -0.089 0.000 0.783 22 T N -4.501 110.041 114.554 -0.020 0.000 3.051 22 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 22 T C 1.515 176.212 174.700 -0.005 0.000 1.127 22 T CA 1.586 63.680 62.100 -0.009 0.000 1.107 22 T CB -1.557 67.313 68.868 0.004 0.000 0.898 22 T HN 0.233 nan 8.240 nan 0.000 0.517 23 T N -1.823 112.725 114.554 -0.011 0.000 3.113 23 T HA 0.481 4.831 4.350 -0.000 0.000 0.256 23 T C 1.190 175.891 174.700 0.002 0.000 1.131 23 T CA 0.231 62.329 62.100 -0.004 0.000 1.074 23 T CB -0.535 68.329 68.868 -0.006 0.000 0.944 23 T HN 1.155 nan 8.240 nan 0.000 0.516 24 G N 1.549 110.348 108.800 -0.002 0.000 2.423 24 G HA2 0.221 4.180 3.960 -0.000 0.000 0.684 24 G HA3 0.221 4.180 3.960 -0.000 0.000 0.684 24 G C -3.343 171.563 174.900 0.010 0.000 1.309 24 G CA -0.651 44.456 45.100 0.012 0.000 0.950 24 G HN 0.289 nan 8.290 nan 0.000 0.587 25 P HA 0.684 nan 4.420 nan 0.000 0.278 25 P C -0.258 177.094 177.300 0.087 0.000 1.266 25 P CA 0.441 63.574 63.100 0.054 0.000 0.807 25 P CB 1.919 33.669 31.700 0.082 0.000 1.094 26 A N 0.113 123.017 122.820 0.140 0.000 2.612 26 A HA 0.552 4.872 4.320 -0.000 0.000 0.293 26 A C -0.650 177.094 177.584 0.266 0.000 1.075 26 A CA -0.515 51.639 52.037 0.196 0.000 0.680 26 A CB 0.628 19.757 19.000 0.214 0.000 1.279 26 A HN 0.372 nan 8.150 nan 0.000 0.411 27 S N 0.501 116.348 115.700 0.244 0.000 2.565 27 S HA 0.471 4.941 4.470 -0.000 0.000 0.274 27 S C 0.242 174.860 174.600 0.029 0.000 1.309 27 S CA -0.292 58.030 58.200 0.204 0.000 1.043 27 S CB 0.324 63.688 63.200 0.273 0.000 0.939 27 S HN 0.468 nan 8.310 nan 0.000 0.504 28 I N 4.848 125.328 120.570 -0.149 0.000 2.598 28 I HA 0.111 4.281 4.170 -0.000 0.000 0.284 28 I C -1.448 174.356 176.117 -0.522 0.000 1.140 28 I CA -1.427 59.500 61.300 -0.620 0.000 1.420 28 I CB 0.473 38.207 38.000 -0.442 0.000 1.387 28 I HN 0.431 nan 8.210 nan 0.000 0.553 29 P HA 0.052 nan 4.420 nan 0.000 0.237 29 P C -0.957 176.178 177.300 -0.275 0.000 1.723 29 P CA -0.165 62.721 63.100 -0.357 0.000 0.882 29 P CB -0.435 31.069 31.700 -0.327 0.000 1.810 30 D N -0.916 119.339 120.400 -0.242 0.000 2.541 30 D HA 0.125 4.765 4.640 -0.000 0.000 0.276 30 D C 0.468 176.748 176.300 -0.034 0.000 1.190 30 D CA -0.379 53.543 54.000 -0.130 0.000 1.095 30 D CB -0.111 40.622 40.800 -0.112 0.000 1.173 30 D HN -0.213 nan 8.370 nan 0.000 0.604 31 D N -1.340 119.058 120.400 -0.002 0.000 2.363 31 D HA 0.061 4.701 4.640 -0.000 0.000 0.214 31 D C -0.049 176.278 176.300 0.045 0.000 1.093 31 D CA 0.277 54.288 54.000 0.019 0.000 0.837 31 D CB 0.088 40.897 40.800 0.015 0.000 0.948 31 D HN 0.255 nan 8.370 nan 0.000 0.507 32 T N 1.790 116.382 114.554 0.063 0.000 4.104 32 T HA 0.187 4.537 4.350 -0.000 0.000 0.285 32 T C 0.909 175.708 174.700 0.165 0.000 1.346 32 T CA -0.178 61.993 62.100 0.118 0.000 1.158 32 T CB -0.278 68.676 68.868 0.144 0.000 1.290 32 T HN 0.035 nan 8.240 nan 0.000 0.975 33 L N 3.712 125.025 121.223 0.150 0.000 2.505 33 L HA 0.155 4.495 4.340 -0.000 0.000 0.279 33 L C 0.741 177.809 176.870 0.330 0.000 1.211 33 L CA 0.305 55.291 54.840 0.242 0.000 1.059 33 L CB -0.170 41.969 42.059 0.133 0.000 1.340 33 L HN 0.413 nan 8.230 nan 0.000 0.447 34 E N 3.146 123.492 120.200 0.244 0.000 2.227 34 E HA 0.332 4.682 4.350 -0.000 0.000 0.268 34 E C -0.691 175.846 176.600 -0.105 0.000 0.907 34 E CA -1.019 55.366 56.400 -0.024 0.000 0.786 34 E CB 2.310 31.738 29.700 -0.454 0.000 1.191 34 E HN 0.280 nan 8.360 nan 0.000 0.411 35 K N 3.205 123.316 120.400 -0.481 0.000 2.383 35 K HA 0.103 4.423 4.320 -0.000 0.000 0.286 35 K C 0.096 176.610 176.600 -0.144 0.000 1.051 35 K CA 0.132 56.100 56.287 -0.532 0.000 0.974 35 K CB 0.249 32.400 32.500 -0.582 0.000 0.968 35 K HN 0.548 nan 8.250 nan 0.000 0.475 36 H N -0.258 118.736 119.070 -0.127 0.000 2.947 36 H HA 0.450 5.006 4.556 -0.000 0.000 0.290 36 H C -1.146 174.215 175.328 0.054 0.000 1.430 36 H CA -0.741 55.313 56.048 0.011 0.000 1.189 36 H CB 1.799 31.653 29.762 0.154 0.000 1.875 36 H HN 0.450 nan 8.280 nan 0.000 0.568 37 T N 0.331 114.964 114.554 0.132 0.000 2.906 37 T HA 0.585 4.934 4.350 -0.000 0.000 0.295 37 T C -0.997 173.828 174.700 0.208 0.000 1.075 37 T CA -0.773 61.372 62.100 0.074 0.000 1.005 37 T CB 1.094 70.037 68.868 0.124 0.000 1.136 37 T HN 0.427 nan 8.240 nan 0.000 0.498 38 L N 3.838 125.151 121.223 0.151 0.000 2.317 38 L HA 0.753 5.093 4.340 -0.000 0.000 0.281 38 L C 0.159 177.108 176.870 0.131 0.000 1.024 38 L CA -1.048 53.898 54.840 0.178 0.000 0.810 38 L CB 1.399 43.555 42.059 0.163 0.000 1.240 38 L HN 0.481 nan 8.230 nan 0.000 0.427 39 R N 1.441 122.029 120.500 0.147 0.000 2.774 39 R HA 0.574 4.914 4.340 -0.000 0.000 0.272 39 R C -1.447 174.972 176.300 0.198 0.000 1.000 39 R CA -0.872 55.313 56.100 0.140 0.000 0.906 39 R CB 2.338 32.679 30.300 0.069 0.000 1.227 39 R HN 0.468 nan 8.270 nan 0.000 0.468 40 S N 1.282 117.078 115.700 0.162 0.000 2.519 40 S HA 0.406 4.875 4.470 -0.000 0.000 0.309 40 S C -0.900 173.805 174.600 0.175 0.000 1.100 40 S CA -0.703 57.586 58.200 0.148 0.000 1.059 40 S CB 1.800 65.049 63.200 0.082 0.000 1.008 40 S HN 0.241 nan 8.310 nan 0.000 0.478 41 E N 2.632 122.975 120.200 0.239 0.000 2.176 41 E HA 0.350 4.700 4.350 -0.000 0.000 0.267 41 E C -0.041 176.654 176.600 0.158 0.000 0.893 41 E CA -0.412 56.116 56.400 0.214 0.000 0.761 41 E CB 1.909 31.791 29.700 0.304 0.000 1.133 41 E HN 0.715 nan 8.360 nan 0.000 0.409 42 T N -0.527 114.089 114.554 0.104 0.000 2.847 42 T HA 0.528 4.878 4.350 -0.000 0.000 0.279 42 T C 0.318 175.068 174.700 0.084 0.000 0.984 42 T CA -0.615 61.529 62.100 0.073 0.000 0.988 42 T CB 1.068 69.958 68.868 0.038 0.000 1.040 42 T HN 0.113 nan 8.240 nan 0.000 0.528 43 S N 0.874 116.619 115.700 0.075 0.000 2.594 43 S HA 0.686 5.156 4.470 -0.000 0.000 0.296 43 S C -0.636 173.979 174.600 0.025 0.000 1.124 43 S CA -0.872 57.391 58.200 0.105 0.000 1.011 43 S CB 1.471 64.811 63.200 0.232 0.000 1.016 43 S HN 1.119 nan 8.310 nan 0.000 0.485 44 T N 1.219 115.661 114.554 -0.186 0.000 2.928 44 T HA 0.755 5.105 4.350 -0.000 0.000 0.296 44 T C -1.423 172.941 174.700 -0.560 0.000 1.000 44 T CA -0.532 61.439 62.100 -0.215 0.000 0.989 44 T CB 0.672 69.445 68.868 -0.158 0.000 1.005 44 T HN 0.420 nan 8.240 nan 0.000 0.442 45 Y N 1.084 121.385 120.300 0.002 0.000 2.504 45 Y HA 0.563 5.112 4.550 -0.000 0.000 0.344 45 Y C -0.389 175.485 175.900 -0.043 0.000 1.023 45 Y CA -1.199 56.889 58.100 -0.021 0.000 1.020 45 Y CB 2.432 40.872 38.460 -0.033 0.000 1.282 45 Y HN 0.589 nan 8.280 nan 0.000 0.454 46 N N 3.498 122.254 118.700 0.094 0.000 2.626 46 N HA 0.409 5.149 4.740 -0.000 0.000 0.242 46 N C -1.360 174.156 175.510 0.009 0.000 1.005 46 N CA -0.293 52.772 53.050 0.024 0.000 0.905 46 N CB 1.130 39.617 38.487 0.000 0.000 1.128 46 N HN 0.543 nan 8.380 nan 0.000 0.512 47 L N 1.050 122.237 121.223 -0.060 0.000 2.334 47 L HA 0.433 4.773 4.340 -0.000 0.000 0.277 47 L C 0.685 177.507 176.870 -0.080 0.000 1.075 47 L CA -0.354 54.408 54.840 -0.129 0.000 0.804 47 L CB 1.039 42.827 42.059 -0.453 0.000 1.174 47 L HN 0.191 nan 8.230 nan 0.000 0.438 48 T N 1.854 116.415 114.554 0.011 0.000 2.799 48 T HA 0.320 4.670 4.350 -0.000 0.000 0.286 48 T C 0.021 174.780 174.700 0.097 0.000 0.973 48 T CA -0.458 61.662 62.100 0.033 0.000 1.035 48 T CB 1.638 70.529 68.868 0.038 0.000 0.932 48 T HN 0.185 nan 8.240 nan 0.000 0.469 49 V N 3.700 123.643 119.914 0.048 0.000 2.555 49 V HA 0.411 4.531 4.120 -0.000 0.000 0.286 49 V C 1.297 177.461 176.094 0.117 0.000 1.044 49 V CA -0.291 62.074 62.300 0.109 0.000 1.026 49 V CB 0.867 32.707 31.823 0.029 0.000 0.981 49 V HN 1.044 nan 8.190 nan 0.000 0.480 50 G N 3.149 112.042 108.800 0.155 0.000 2.611 50 G HA2 0.133 4.093 3.960 -0.000 0.000 0.273 50 G HA3 0.133 4.093 3.960 -0.000 0.000 0.273 50 G C 0.613 175.556 174.900 0.072 0.000 1.305 50 G CA 0.312 45.469 45.100 0.095 0.000 1.010 50 G HN 0.935 nan 8.290 nan 0.000 0.509 51 D N -2.327 118.100 120.400 0.044 0.000 2.312 51 D HA -0.115 4.525 4.640 -0.000 0.000 0.211 51 D C 2.084 178.399 176.300 0.025 0.000 0.964 51 D CA 1.568 55.586 54.000 0.029 0.000 0.877 51 D CB -0.258 40.551 40.800 0.015 0.000 0.924 51 D HN 0.407 nan 8.370 nan 0.000 0.515 52 T N -4.159 110.410 114.554 0.025 0.000 3.067 52 T HA 0.265 4.615 4.350 -0.000 0.000 0.261 52 T C 1.973 176.692 174.700 0.032 0.000 1.110 52 T CA 0.340 62.444 62.100 0.008 0.000 1.113 52 T CB -0.272 68.582 68.868 -0.022 0.000 0.917 52 T HN 0.429 nan 8.240 nan 0.000 0.499 53 G N 0.616 109.467 108.800 0.085 0.000 2.162 53 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 53 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 53 G C 0.123 175.160 174.900 0.229 0.000 0.976 53 G CA 0.202 45.385 45.100 0.138 0.000 0.655 53 G HN 0.804 nan 8.290 nan 0.000 0.533 54 S N -0.731 115.053 115.700 0.140 0.000 2.536 54 S HA 0.923 5.393 4.470 -0.000 0.000 0.298 54 S C 0.401 174.866 174.600 -0.225 0.000 1.083 54 S CA 0.042 58.217 58.200 -0.043 0.000 0.995 54 S CB 2.370 65.512 63.200 -0.097 0.000 1.058 54 S HN 1.642 nan 8.310 nan 0.000 0.488 55 G N 0.148 108.394 108.800 -0.923 0.000 2.548 55 G HA2 0.625 4.584 3.960 -0.000 0.000 0.301 55 G HA3 0.625 4.584 3.960 -0.000 0.000 0.301 55 G C -2.478 172.126 174.900 -0.493 0.000 1.349 55 G CA -0.542 44.186 45.100 -0.620 0.000 0.792 55 G HN 0.636 nan 8.290 nan 0.000 0.481 56 L N -0.126 121.079 121.223 -0.030 0.000 2.493 56 L HA 0.746 5.086 4.340 -0.000 0.000 0.265 56 L C -1.249 175.687 176.870 0.109 0.000 0.954 56 L CA -0.600 54.242 54.840 0.003 0.000 0.844 56 L CB 1.798 43.765 42.059 -0.153 0.000 1.302 56 L HN 0.516 nan 8.230 nan 0.000 0.405 57 I N 5.236 125.815 120.570 0.015 0.000 2.354 57 I HA 0.480 4.650 4.170 -0.000 0.000 0.292 57 I C -0.689 175.180 176.117 -0.414 0.000 0.989 57 I CA -0.935 60.247 61.300 -0.197 0.000 1.188 57 I CB 1.917 39.699 38.000 -0.363 0.000 1.342 57 I HN 0.251 nan 8.210 nan 0.000 0.457 58 V N 7.184 126.810 119.914 -0.480 0.000 2.370 58 V HA 0.396 4.516 4.120 -0.000 0.000 0.283 58 V C -0.372 175.237 176.094 -0.808 0.000 1.023 58 V CA -0.375 61.597 62.300 -0.547 0.000 0.857 58 V CB 1.159 32.691 31.823 -0.485 0.000 0.985 58 V HN 0.399 nan 8.190 nan 0.000 0.443 59 F N 3.957 123.613 119.950 -0.491 0.000 2.458 59 F HA 0.584 5.111 4.527 0.000 0.000 0.330 59 F C -0.047 175.375 175.800 -0.629 0.000 1.082 59 F CA -0.612 57.099 58.000 -0.483 0.000 0.995 59 F CB 1.821 40.706 39.000 -0.191 0.000 1.170 59 F HN 0.360 nan 8.300 nan 0.000 0.478 60 F N 3.618 123.741 119.950 0.289 0.000 2.334 60 F HA 0.265 4.792 4.527 -0.000 0.000 0.343 60 F C -1.532 174.413 175.800 0.241 0.000 1.136 60 F CA -1.787 56.355 58.000 0.238 0.000 1.237 60 F CB 0.187 39.329 39.000 0.237 0.000 1.525 60 F HN 0.278 nan 8.300 nan 0.000 0.528 61 P HA -0.197 nan 4.420 nan 0.000 0.217 61 P C 1.417 178.807 177.300 0.150 0.000 1.151 61 P CA 1.614 64.790 63.100 0.126 0.000 0.849 61 P CB 0.277 32.002 31.700 0.043 0.000 0.787 62 G N -1.919 106.996 108.800 0.192 0.000 3.284 62 G HA2 0.039 3.999 3.960 -0.000 0.000 0.236 62 G HA3 0.039 3.999 3.960 -0.000 0.000 0.236 62 G C -0.071 174.956 174.900 0.212 0.000 1.158 62 G CA -0.464 44.728 45.100 0.155 0.000 0.774 62 G HN 0.145 nan 8.290 nan 0.000 0.545 63 F N 3.318 123.397 119.950 0.215 0.000 2.590 63 F HA 0.204 4.731 4.527 -0.000 0.000 0.389 63 F C -1.404 174.531 175.800 0.225 0.000 1.049 63 F CA -2.339 55.789 58.000 0.214 0.000 1.199 63 F CB 0.920 40.060 39.000 0.233 0.000 1.058 63 F HN -0.022 nan 8.300 nan 0.000 0.556 64 P HA 0.298 nan 4.420 nan 0.000 0.231 64 P C -0.082 177.058 177.300 -0.266 0.000 1.811 64 P CA 0.376 63.312 63.100 -0.273 0.000 1.051 64 P CB 0.095 31.588 31.700 -0.346 0.000 1.951 65 G N 0.266 109.215 108.800 0.249 0.000 2.344 65 G HA2 0.038 3.998 3.960 -0.000 0.000 0.282 65 G HA3 0.038 3.998 3.960 -0.000 0.000 0.282 65 G C 0.218 175.440 174.900 0.537 0.000 1.281 65 G CA -0.377 44.916 45.100 0.321 0.000 0.877 65 G HN -0.065 nan 8.290 nan 0.000 0.494 66 S N -0.207 115.701 115.700 0.345 0.000 2.603 66 S HA 0.225 4.695 4.470 -0.000 0.000 0.220 66 S C 1.012 175.719 174.600 0.178 0.000 0.967 66 S CA 0.140 58.483 58.200 0.238 0.000 0.920 66 S CB -0.290 62.983 63.200 0.121 0.000 0.773 66 S HN 0.350 nan 8.310 nan 0.000 0.529 67 I N 1.876 122.445 120.570 -0.001 0.000 2.322 67 I HA 0.137 4.307 4.170 -0.000 0.000 0.292 67 I C 0.844 176.988 176.117 0.046 0.000 1.060 67 I CA -0.180 60.968 61.300 -0.254 0.000 1.309 67 I CB 1.191 38.603 38.000 -0.980 0.000 1.415 67 I HN -0.018 nan 8.210 nan 0.000 0.492 68 V N 5.719 125.758 119.914 0.208 0.000 2.795 68 V HA 0.327 4.447 4.120 -0.000 0.000 0.243 68 V C 1.040 177.350 176.094 0.360 0.000 1.069 68 V CA 1.118 63.616 62.300 0.329 0.000 1.089 68 V CB 0.289 32.299 31.823 0.313 0.000 0.756 68 V HN 0.972 nan 8.190 nan 0.000 0.471 69 G N -1.259 107.662 108.800 0.202 0.000 2.341 69 G HA2 0.666 4.626 3.960 -0.000 0.000 0.299 69 G HA3 0.666 4.626 3.960 -0.000 0.000 0.299 69 G C -1.890 172.969 174.900 -0.068 0.000 1.274 69 G CA 0.120 45.172 45.100 -0.080 0.000 0.853 69 G HN 0.644 nan 8.290 nan 0.000 0.493 70 A N -0.511 122.172 122.820 -0.228 0.000 2.520 70 A HA 0.770 5.090 4.320 -0.000 0.000 0.298 70 A C -1.240 176.167 177.584 -0.296 0.000 1.051 70 A CA -0.444 51.495 52.037 -0.165 0.000 0.690 70 A CB 1.437 20.455 19.000 0.029 0.000 1.281 70 A HN 1.186 nan 8.150 nan 0.000 0.402 71 H N 1.464 120.227 119.070 -0.511 0.000 2.459 71 H HA 0.668 5.224 4.556 -0.000 0.000 0.332 71 H C -1.774 173.207 175.328 -0.579 0.000 1.094 71 H CA -0.297 55.496 56.048 -0.425 0.000 1.224 71 H CB 0.912 30.481 29.762 -0.322 0.000 1.449 71 H HN 0.614 nan 8.280 nan 0.000 0.484 72 Y N 1.854 121.917 120.300 -0.394 0.000 2.442 72 Y HA 0.189 4.739 4.550 -0.000 0.000 0.344 72 Y C 0.294 176.028 175.900 -0.278 0.000 0.976 72 Y CA -0.826 57.118 58.100 -0.259 0.000 1.040 72 Y CB 2.238 40.694 38.460 -0.008 0.000 1.228 72 Y HN 0.599 nan 8.280 nan 0.000 0.451 73 T N 0.307 114.845 114.554 -0.027 0.000 2.902 73 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 73 T C -0.939 173.861 174.700 0.168 0.000 1.009 73 T CA -0.798 61.332 62.100 0.050 0.000 1.051 73 T CB 1.437 70.315 68.868 0.016 0.000 0.999 73 T HN 0.449 nan 8.240 nan 0.000 0.474 74 L N 2.335 123.592 121.223 0.057 0.000 2.276 74 L HA 0.407 4.747 4.340 -0.000 0.000 0.286 74 L C 0.137 176.941 176.870 -0.110 0.000 1.061 74 L CA 0.058 54.797 54.840 -0.168 0.000 0.807 74 L CB 0.772 42.660 42.059 -0.286 0.000 1.177 74 L HN 0.780 nan 8.230 nan 0.000 0.429 75 Q N 1.953 121.679 119.800 -0.124 0.000 2.221 75 Q HA 0.277 4.617 4.340 -0.000 0.000 0.242 75 Q C 1.261 177.208 176.000 -0.089 0.000 0.940 75 Q CA 0.004 55.764 55.803 -0.073 0.000 0.896 75 Q CB 1.390 30.101 28.738 -0.045 0.000 1.226 75 Q HN 0.844 nan 8.270 nan 0.000 0.463 76 S N 1.212 116.878 115.700 -0.057 0.000 2.407 76 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 76 S C 1.202 175.763 174.600 -0.065 0.000 1.036 76 S CA 1.829 59.996 58.200 -0.055 0.000 1.013 76 S CB -0.473 62.706 63.200 -0.035 0.000 0.820 76 S HN 0.772 nan 8.310 nan 0.000 0.476 77 N N 1.413 120.073 118.700 -0.066 0.000 2.521 77 N HA 0.199 4.939 4.740 -0.000 0.000 0.188 77 N C 1.107 176.560 175.510 -0.095 0.000 1.146 77 N CA 0.807 53.816 53.050 -0.068 0.000 0.893 77 N CB -0.632 37.822 38.487 -0.056 0.000 0.975 77 N HN 0.504 nan 8.380 nan 0.000 0.451 78 G N -1.173 107.548 108.800 -0.132 0.000 2.176 78 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.253 78 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.253 78 G C -0.295 174.458 174.900 -0.245 0.000 0.979 78 G CA 0.012 45.004 45.100 -0.180 0.000 0.641 78 G HN 0.485 nan 8.290 nan 0.000 0.530 79 N N -0.281 118.300 118.700 -0.198 0.000 2.489 79 N HA 0.593 5.333 4.740 -0.000 0.000 0.284 79 N C -0.307 175.083 175.510 -0.199 0.000 1.158 79 N CA -0.285 52.657 53.050 -0.180 0.000 0.965 79 N CB 0.683 39.121 38.487 -0.083 0.000 1.195 79 N HN 0.213 nan 8.380 nan 0.000 0.506 80 Y N 0.290 120.546 120.300 -0.075 0.000 2.316 80 Y HA 0.270 4.820 4.550 -0.000 0.000 0.324 80 Y C 0.813 176.770 175.900 0.095 0.000 1.267 80 Y CA -0.155 57.956 58.100 0.018 0.000 1.311 80 Y CB 1.144 39.620 38.460 0.027 0.000 1.267 80 Y HN 0.259 nan 8.280 nan 0.000 0.516 81 K N 2.507 123.128 120.400 0.369 0.000 2.541 81 K HA 0.286 4.606 4.320 -0.000 0.000 0.250 81 K C -1.520 175.288 176.600 0.346 0.000 0.950 81 K CA -0.733 55.728 56.287 0.290 0.000 0.805 81 K CB 0.825 33.410 32.500 0.142 0.000 1.166 81 K HN 0.513 nan 8.250 nan 0.000 0.430 82 F N 3.914 124.001 119.950 0.228 0.000 2.578 82 F HA 0.021 4.548 4.527 -0.000 0.000 0.376 82 F C 0.776 176.509 175.800 -0.111 0.000 1.085 82 F CA 0.602 58.596 58.000 -0.010 0.000 1.260 82 F CB 0.868 39.883 39.000 0.025 0.000 1.095 82 F HN 0.845 nan 8.300 nan 0.000 0.573 83 D N 2.409 122.163 120.400 -1.075 0.000 3.012 83 D HA 0.118 4.758 4.640 -0.000 0.000 0.284 83 D C -0.551 174.962 176.300 -1.312 0.000 1.259 83 D CA 1.013 54.499 54.000 -0.856 0.000 1.036 83 D CB 0.231 40.727 40.800 -0.507 0.000 1.167 83 D HN 0.696 nan 8.370 nan 0.000 0.429 84 Q N -1.234 117.727 119.800 -1.398 0.000 2.756 84 Q HA 0.315 4.655 4.340 -0.000 0.000 0.295 84 Q C -1.172 174.621 176.000 -0.344 0.000 0.903 84 Q CA -1.006 54.284 55.803 -0.855 0.000 0.768 84 Q CB 1.007 29.535 28.738 -0.350 0.000 1.472 84 Q HN -0.040 nan 8.270 nan 0.000 0.416 85 M N 1.466 121.072 119.600 0.011 0.000 2.255 85 M HA 0.451 4.931 4.480 -0.000 0.000 0.336 85 M C -0.613 175.550 176.300 -0.229 0.000 1.135 85 M CA -0.258 55.050 55.300 0.013 0.000 1.145 85 M CB 0.387 33.045 32.600 0.097 0.000 1.473 85 M HN 0.614 nan 8.290 nan 0.000 0.462 86 L N 4.086 125.156 121.223 -0.254 0.000 2.298 86 L HA 0.574 4.914 4.340 -0.000 0.000 0.284 86 L C -0.466 176.418 176.870 0.022 0.000 1.013 86 L CA -0.367 54.190 54.840 -0.472 0.000 0.824 86 L CB 0.932 42.731 42.059 -0.435 0.000 1.221 86 L HN 0.591 nan 8.230 nan 0.000 0.418 87 L N 1.198 122.581 121.223 0.268 0.000 2.216 87 L HA 0.667 5.007 4.340 -0.000 0.000 0.260 87 L C 0.553 177.610 176.870 0.312 0.000 1.036 87 L CA -0.828 54.169 54.840 0.260 0.000 0.914 87 L CB 1.930 44.110 42.059 0.201 0.000 1.501 87 L HN 0.545 nan 8.230 nan 0.000 0.485 88 T N -2.597 112.094 114.554 0.228 0.000 2.902 88 T HA 0.449 4.799 4.350 -0.000 0.000 0.280 88 T C 1.005 175.785 174.700 0.133 0.000 0.992 88 T CA -0.110 62.110 62.100 0.199 0.000 1.015 88 T CB 1.594 70.588 68.868 0.210 0.000 1.044 88 T HN 0.632 nan 8.240 nan 0.000 0.520 89 A N 1.191 124.067 122.820 0.092 0.000 1.903 89 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 89 A C 1.290 178.907 177.584 0.056 0.000 1.191 89 A CA 1.801 53.865 52.037 0.045 0.000 0.638 89 A CB -0.953 18.068 19.000 0.036 0.000 0.823 89 A HN 1.003 nan 8.150 nan 0.000 0.451 90 Q N -1.484 118.359 119.800 0.073 0.000 2.359 90 Q HA 0.514 4.854 4.340 -0.000 0.000 0.275 90 Q C -1.032 175.010 176.000 0.070 0.000 1.082 90 Q CA -0.953 54.890 55.803 0.066 0.000 0.849 90 Q CB 0.764 29.543 28.738 0.069 0.000 1.377 90 Q HN 0.191 nan 8.270 nan 0.000 0.452 91 N N 1.361 120.097 118.700 0.061 0.000 2.439 91 N HA 0.140 4.880 4.740 -0.000 0.000 0.243 91 N C 0.416 175.962 175.510 0.060 0.000 1.088 91 N CA -0.060 53.024 53.050 0.057 0.000 0.940 91 N CB 0.382 38.897 38.487 0.046 0.000 1.180 91 N HN 0.788 nan 8.380 nan 0.000 0.505 92 L N 4.505 125.756 121.223 0.047 0.000 2.043 92 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 92 L C -0.704 176.236 176.870 0.116 0.000 1.075 92 L CA 1.281 56.164 54.840 0.071 0.000 0.752 92 L CB -0.966 41.020 42.059 -0.121 0.000 0.891 92 L HN 0.527 nan 8.230 nan 0.000 0.432 93 P HA -0.139 nan 4.420 nan 0.000 0.225 93 P C 1.142 178.449 177.300 0.010 0.000 1.148 93 P CA 1.338 64.454 63.100 0.027 0.000 0.779 93 P CB 0.023 31.730 31.700 0.012 0.000 0.780 94 A N -1.365 121.463 122.820 0.014 0.000 2.119 94 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 94 A C 2.010 179.555 177.584 -0.065 0.000 1.152 94 A CA 1.527 53.554 52.037 -0.017 0.000 0.708 94 A CB -0.577 18.420 19.000 -0.006 0.000 0.805 94 A HN 0.122 nan 8.150 nan 0.000 0.460 95 S N -2.564 113.082 115.700 -0.090 0.000 2.593 95 S HA 0.348 4.818 4.470 -0.000 0.000 0.235 95 S C -0.423 173.813 174.600 -0.607 0.000 1.059 95 S CA -0.222 57.766 58.200 -0.353 0.000 0.953 95 S CB 0.124 63.048 63.200 -0.461 0.000 0.897 95 S HN 0.507 nan 8.310 nan 0.000 0.507 96 Y N 0.849 121.130 120.300 -0.032 0.000 2.545 96 Y HA 0.519 5.069 4.550 -0.000 0.000 0.348 96 Y C 0.629 176.494 175.900 -0.059 0.000 1.002 96 Y CA -1.108 56.979 58.100 -0.022 0.000 1.039 96 Y CB 1.030 39.480 38.460 -0.017 0.000 1.271 96 Y HN -0.162 nan 8.280 nan 0.000 0.467 97 N N -0.217 118.547 118.700 0.107 0.000 2.348 97 N HA 0.105 4.845 4.740 -0.000 0.000 0.183 97 N C -1.256 174.034 175.510 -0.365 0.000 1.094 97 N CA 0.356 53.319 53.050 -0.145 0.000 0.885 97 N CB 0.512 38.898 38.487 -0.169 0.000 1.065 97 N HN 0.530 nan 8.380 nan 0.000 0.472 98 Y N -0.994 119.380 120.300 0.124 0.000 2.545 98 Y HA 0.555 5.105 4.550 -0.000 0.000 0.348 98 Y C -0.196 175.800 175.900 0.160 0.000 1.002 98 Y CA -1.179 57.007 58.100 0.142 0.000 1.039 98 Y CB 2.158 40.728 38.460 0.184 0.000 1.271 98 Y HN -0.129 nan 8.280 nan 0.000 0.467 99 C N 2.409 121.873 119.300 0.273 0.000 3.285 99 C HA 0.856 5.316 4.460 -0.000 0.000 0.325 99 C C -1.714 173.232 174.990 -0.073 0.000 1.304 99 C CA -0.736 58.335 59.018 0.088 0.000 1.319 99 C CB 1.862 29.576 27.740 -0.044 0.000 1.640 99 C HN 1.031 nan 8.230 nan 0.000 0.477 100 R N 2.388 122.832 120.500 -0.094 0.000 2.604 100 R HA 0.692 5.032 4.340 -0.000 0.000 0.281 100 R C -1.646 174.698 176.300 0.074 0.000 1.020 100 R CA -0.628 55.384 56.100 -0.147 0.000 0.899 100 R CB 1.732 31.724 30.300 -0.513 0.000 1.205 100 R HN 0.798 nan 8.270 nan 0.000 0.450 101 L N 4.658 125.935 121.223 0.089 0.000 2.319 101 L HA 0.248 4.588 4.340 -0.000 0.000 0.280 101 L C 0.045 176.922 176.870 0.012 0.000 1.099 101 L CA 0.403 55.247 54.840 0.006 0.000 0.828 101 L CB 1.623 43.692 42.059 0.015 0.000 1.150 101 L HN 0.640 nan 8.230 nan 0.000 0.442 102 V N 2.561 122.446 119.914 -0.049 0.000 2.436 102 V HA 0.271 4.391 4.120 -0.000 0.000 0.240 102 V C 0.668 176.807 176.094 0.075 0.000 1.040 102 V CA 1.122 63.480 62.300 0.097 0.000 1.052 102 V CB -0.067 31.806 31.823 0.084 0.000 0.707 102 V HN 0.934 nan 8.190 nan 0.000 0.469 103 S N -0.233 115.416 115.700 -0.085 0.000 2.587 103 S HA 0.766 5.236 4.470 -0.000 0.000 0.269 103 S C -0.911 173.594 174.600 -0.158 0.000 1.154 103 S CA -0.882 57.257 58.200 -0.100 0.000 0.824 103 S CB 2.874 65.994 63.200 -0.133 0.000 1.118 103 S HN 0.529 nan 8.310 nan 0.000 0.462 104 R N 0.197 120.620 120.500 -0.128 0.000 2.604 104 R HA 0.681 5.021 4.340 -0.000 0.000 0.261 104 R C -1.862 174.351 176.300 -0.145 0.000 1.080 104 R CA 0.058 56.075 56.100 -0.137 0.000 0.917 104 R CB 1.594 31.819 30.300 -0.124 0.000 1.252 104 R HN 1.434 nan 8.270 nan 0.000 0.456 105 S N 3.458 119.062 115.700 -0.161 0.000 2.537 105 S HA 0.758 5.228 4.470 -0.000 0.000 0.270 105 S C -1.425 173.043 174.600 -0.220 0.000 1.142 105 S CA -0.836 57.230 58.200 -0.225 0.000 0.870 105 S CB 1.716 64.763 63.200 -0.254 0.000 1.112 105 S HN 0.454 nan 8.310 nan 0.000 0.466 106 L N 1.758 122.806 121.223 -0.292 0.000 2.434 106 L HA 0.774 5.114 4.340 -0.000 0.000 0.260 106 L C -0.391 176.351 176.870 -0.213 0.000 0.983 106 L CA -0.529 54.159 54.840 -0.253 0.000 0.820 106 L CB 2.888 44.684 42.059 -0.438 0.000 1.361 106 L HN 1.028 nan 8.230 nan 0.000 0.410 107 T N -0.801 113.693 114.554 -0.101 0.000 2.887 107 T HA 0.835 5.185 4.350 -0.000 0.000 0.288 107 T C -0.779 173.934 174.700 0.021 0.000 1.021 107 T CA -0.841 61.226 62.100 -0.055 0.000 1.000 107 T CB 2.019 70.864 68.868 -0.039 0.000 1.034 107 T HN 0.207 nan 8.240 nan 0.000 0.467 108 V N 3.371 123.315 119.914 0.050 0.000 2.483 108 V HA 0.815 4.935 4.120 -0.000 0.000 0.297 108 V C -0.171 175.954 176.094 0.051 0.000 1.027 108 V CA -0.847 61.502 62.300 0.082 0.000 0.855 108 V CB 1.373 33.288 31.823 0.153 0.000 0.995 108 V HN 1.175 nan 8.190 nan 0.000 0.424 109 R N 2.261 122.774 120.500 0.022 0.000 2.690 109 R HA 0.609 4.949 4.340 -0.000 0.000 0.269 109 R C -1.110 175.176 176.300 -0.023 0.000 1.037 109 R CA -0.576 55.530 56.100 0.009 0.000 0.877 109 R CB 1.720 32.031 30.300 0.018 0.000 1.255 109 R HN 0.516 nan 8.270 nan 0.000 0.467 110 S N 0.236 115.918 115.700 -0.030 0.000 2.528 110 S HA 0.140 4.610 4.470 -0.000 0.000 0.277 110 S C 0.668 175.252 174.600 -0.027 0.000 1.297 110 S CA 0.096 58.267 58.200 -0.048 0.000 1.052 110 S CB 0.674 63.847 63.200 -0.044 0.000 0.917 110 S HN 0.672 nan 8.310 nan 0.000 0.492 111 S N 2.984 118.667 115.700 -0.029 0.000 2.578 111 S HA 0.290 4.760 4.470 -0.000 0.000 0.228 111 S C 0.593 175.184 174.600 -0.016 0.000 1.022 111 S CA -0.355 57.835 58.200 -0.017 0.000 0.967 111 S CB 0.310 63.500 63.200 -0.016 0.000 0.914 111 S HN 0.592 nan 8.310 nan 0.000 0.515 112 T N 1.049 115.590 114.554 -0.021 0.000 2.804 112 T HA 0.752 5.102 4.350 -0.000 0.000 0.290 112 T C -2.155 172.535 174.700 -0.016 0.000 1.099 112 T CA -0.667 61.422 62.100 -0.017 0.000 1.011 112 T CB 1.601 70.458 68.868 -0.019 0.000 1.291 112 T HN 0.257 nan 8.240 nan 0.000 0.523 113 L N 3.042 124.258 121.223 -0.011 0.000 2.611 113 L HA 0.402 4.741 4.340 -0.000 0.000 0.263 113 L C -1.816 175.051 176.870 -0.005 0.000 0.969 113 L CA -1.262 53.573 54.840 -0.008 0.000 0.894 113 L CB 2.086 44.143 42.059 -0.004 0.000 1.229 113 L HN 0.616 nan 8.230 nan 0.000 0.416 121 N N 1.332 120.041 118.700 0.015 0.000 2.725 121 N HA 0.495 5.235 4.740 -0.000 0.000 0.225 121 N C -0.491 175.031 175.510 0.020 0.000 1.465 121 N CA 0.274 53.332 53.050 0.013 0.000 0.830 121 N CB 1.570 40.060 38.487 0.005 0.000 1.460 121 N HN 0.672 nan 8.380 nan 0.000 0.538 122 G N 0.160 108.978 108.800 0.029 0.000 2.335 122 G HA2 0.315 4.275 3.960 -0.000 0.000 0.592 122 G HA3 0.315 4.275 3.960 -0.000 0.000 0.592 122 G C -1.224 173.721 174.900 0.075 0.000 1.442 122 G CA -0.285 44.844 45.100 0.048 0.000 0.976 122 G HN 0.856 nan 8.290 nan 0.000 0.652 123 T N -1.608 113.010 114.554 0.106 0.000 2.916 123 T HA 0.831 5.181 4.350 -0.000 0.000 0.292 123 T C -0.311 174.582 174.700 0.322 0.000 1.055 123 T CA -0.870 61.337 62.100 0.179 0.000 1.009 123 T CB 2.175 71.152 68.868 0.183 0.000 1.118 123 T HN 0.873 nan 8.240 nan 0.000 0.497 124 I N 1.859 122.623 120.570 0.323 0.000 2.545 124 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 124 I C -0.868 175.347 176.117 0.163 0.000 1.040 124 I CA -1.071 60.422 61.300 0.322 0.000 1.068 124 I CB 2.266 40.395 38.000 0.216 0.000 1.251 124 I HN 0.571 nan 8.210 nan 0.000 0.424 125 N N 3.778 122.441 118.700 -0.061 0.000 2.314 125 N HA 0.820 5.560 4.740 -0.000 0.000 0.304 125 N C -1.213 174.223 175.510 -0.123 0.000 1.073 125 N CA -0.468 52.428 53.050 -0.256 0.000 0.822 125 N CB 2.384 40.437 38.487 -0.723 0.000 1.280 125 N HN 0.727 nan 8.380 nan 0.000 0.489 126 A N 0.677 123.455 122.820 -0.070 0.000 2.515 126 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 126 A C -1.372 176.192 177.584 -0.033 0.000 1.059 126 A CA -0.666 51.358 52.037 -0.021 0.000 0.698 126 A CB 1.501 20.521 19.000 0.033 0.000 1.289 126 A HN 0.427 nan 8.150 nan 0.000 0.404 127 V N 0.782 120.687 119.914 -0.015 0.000 3.048 127 V HA 0.746 4.865 4.120 -0.000 0.000 0.303 127 V C -0.943 175.170 176.094 0.033 0.000 1.214 127 V CA -0.206 62.090 62.300 -0.006 0.000 0.984 127 V CB 2.584 34.395 31.823 -0.020 0.000 1.054 127 V HN 1.031 nan 8.190 nan 0.000 0.430 128 T N 6.397 120.975 114.554 0.040 0.000 2.756 128 T HA 0.505 4.855 4.350 -0.000 0.000 0.290 128 T C -0.930 173.852 174.700 0.137 0.000 0.985 128 T CA 0.054 62.195 62.100 0.067 0.000 0.955 128 T CB 0.632 69.508 68.868 0.014 0.000 0.930 128 T HN 0.522 nan 8.240 nan 0.000 0.451 129 F N 2.790 122.731 119.950 -0.015 0.000 2.420 129 F HA 0.318 4.845 4.527 -0.000 0.000 0.342 129 F C 1.152 176.954 175.800 0.003 0.000 1.113 129 F CA -0.997 56.998 58.000 -0.008 0.000 1.059 129 F CB 1.376 40.375 39.000 -0.003 0.000 1.128 129 F HN 0.505 nan 8.300 nan 0.000 0.475 130 Q N 3.979 123.430 119.800 -0.582 0.000 2.387 130 Q HA 0.196 4.536 4.340 -0.000 0.000 0.211 130 Q C 0.583 176.157 176.000 -0.709 0.000 0.952 130 Q CA 0.202 55.697 55.803 -0.513 0.000 0.957 130 Q CB 0.169 28.709 28.738 -0.331 0.000 1.002 130 Q HN 0.896 nan 8.270 nan 0.000 0.502 131 G N -0.011 108.051 108.800 -1.230 0.000 3.217 131 G HA2 0.462 4.422 3.960 -0.000 0.000 0.213 131 G HA3 0.462 4.422 3.960 -0.000 0.000 0.213 131 G C -0.722 174.177 174.900 -0.002 0.000 1.294 131 G CA -0.504 44.251 45.100 -0.574 0.000 0.987 131 G HN 0.202 nan 8.290 nan 0.000 0.584 132 S N -0.958 114.879 115.700 0.228 0.000 2.681 132 S HA 0.412 4.882 4.470 -0.000 0.000 0.299 132 S C 1.164 175.977 174.600 0.356 0.000 1.113 132 S CA -0.586 57.785 58.200 0.284 0.000 1.013 132 S CB 1.770 65.102 63.200 0.220 0.000 1.076 132 S HN 0.588 nan 8.310 nan 0.000 0.534 133 L N 2.133 123.527 121.223 0.285 0.000 2.030 133 L HA -0.221 4.119 4.340 -0.000 0.000 0.222 133 L C 2.566 179.541 176.870 0.175 0.000 1.082 133 L CA 2.840 57.789 54.840 0.182 0.000 0.785 133 L CB -1.284 40.849 42.059 0.122 0.000 0.895 133 L HN 1.016 nan 8.230 nan 0.000 0.439 134 S N -1.796 114.016 115.700 0.187 0.000 2.507 134 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 134 S C 1.503 176.183 174.600 0.133 0.000 0.988 134 S CA 0.949 59.236 58.200 0.146 0.000 0.944 134 S CB -0.673 62.590 63.200 0.104 0.000 0.762 134 S HN 0.710 nan 8.310 nan 0.000 0.526 135 E N 0.646 120.972 120.200 0.209 0.000 2.435 135 E HA 0.206 4.556 4.350 -0.000 0.000 0.195 135 E C -0.047 176.633 176.600 0.134 0.000 1.029 135 E CA -0.169 56.380 56.400 0.247 0.000 0.865 135 E CB -0.121 29.811 29.700 0.387 0.000 0.833 135 E HN 0.532 nan 8.360 nan 0.000 0.510 136 L N 1.888 123.044 121.223 -0.111 0.000 2.453 136 L HA -0.014 4.326 4.340 -0.000 0.000 0.272 136 L C 1.760 178.521 176.870 -0.182 0.000 1.182 136 L CA 0.205 54.776 54.840 -0.448 0.000 0.858 136 L CB 0.730 42.502 42.059 -0.478 0.000 1.120 136 L HN 0.124 nan 8.230 nan 0.000 0.474 137 T N -2.846 111.602 114.554 -0.175 0.000 3.057 137 T HA 0.057 4.406 4.350 -0.000 0.000 0.254 137 T C 0.217 174.871 174.700 -0.076 0.000 1.094 137 T CA 0.006 62.059 62.100 -0.079 0.000 1.088 137 T CB 0.121 68.964 68.868 -0.041 0.000 0.934 137 T HN 0.535 nan 8.240 nan 0.000 0.497 138 D N 0.742 121.079 120.400 -0.105 0.000 2.861 138 D HA 0.248 4.888 4.640 -0.000 0.000 0.216 138 D C 0.065 176.328 176.300 -0.062 0.000 1.323 138 D CA -0.653 53.308 54.000 -0.065 0.000 0.917 138 D CB 2.114 42.883 40.800 -0.053 0.000 1.582 138 D HN 0.065 nan 8.370 nan 0.000 0.576 139 V N 1.468 121.382 119.914 0.000 0.000 3.214 139 V HA 0.355 4.475 4.120 -0.000 0.000 0.330 139 V C 0.609 176.785 176.094 0.136 0.000 1.403 139 V CA 0.053 62.386 62.300 0.056 0.000 1.143 139 V CB -0.430 31.480 31.823 0.147 0.000 1.098 139 V HN 0.449 nan 8.190 nan 0.000 0.463 140 S N -0.839 114.913 115.700 0.087 0.000 2.592 140 S HA 0.322 4.792 4.470 -0.000 0.000 0.271 140 S C 0.809 175.475 174.600 0.109 0.000 1.326 140 S CA 0.125 58.392 58.200 0.111 0.000 1.024 140 S CB 0.824 64.060 63.200 0.060 0.000 0.921 140 S HN 0.472 nan 8.310 nan 0.000 0.527 141 Y N 2.621 122.940 120.300 0.031 0.000 2.096 141 Y HA -0.285 4.265 4.550 -0.000 0.000 0.278 141 Y C 1.994 177.901 175.900 0.012 0.000 1.192 141 Y CA 2.579 60.690 58.100 0.018 0.000 1.143 141 Y CB -0.385 38.079 38.460 0.006 0.000 0.963 141 Y HN 0.704 nan 8.280 nan 0.000 0.505 142 N N -0.425 118.344 118.700 0.115 0.000 2.395 142 N HA -0.007 4.733 4.740 -0.000 0.000 0.175 142 N C 1.974 177.468 175.510 -0.027 0.000 1.029 142 N CA 1.013 54.077 53.050 0.024 0.000 0.897 142 N CB -0.665 37.891 38.487 0.114 0.000 0.991 142 N HN 0.524 nan 8.380 nan 0.000 0.441 143 G N 1.672 110.465 108.800 -0.011 0.000 2.432 143 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 143 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 143 G C 1.616 176.480 174.900 -0.060 0.000 1.135 143 G CA 0.251 45.334 45.100 -0.029 0.000 0.767 143 G HN 0.217 nan 8.290 nan 0.000 0.550 144 L N 0.182 121.354 121.223 -0.085 0.000 2.137 144 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 144 L C 2.839 179.654 176.870 -0.092 0.000 1.085 144 L CA 0.775 55.551 54.840 -0.107 0.000 0.760 144 L CB -0.461 41.517 42.059 -0.134 0.000 0.893 144 L HN 0.181 nan 8.230 nan 0.000 0.434 145 M N -0.895 118.648 119.600 -0.094 0.000 2.530 145 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 145 M C 1.903 178.178 176.300 -0.041 0.000 1.067 145 M CA 1.296 56.554 55.300 -0.071 0.000 1.071 145 M CB -1.107 31.453 32.600 -0.068 0.000 1.405 145 M HN 0.160 nan 8.290 nan 0.000 0.478 146 S N -0.387 115.292 115.700 -0.035 0.000 2.539 146 S HA 0.311 4.781 4.470 -0.000 0.000 0.221 146 S C 1.889 176.492 174.600 0.006 0.000 0.987 146 S CA 0.359 58.550 58.200 -0.014 0.000 0.929 146 S CB 0.141 63.333 63.200 -0.013 0.000 0.832 146 S HN 0.502 nan 8.310 nan 0.000 0.492 147 A N 1.559 124.376 122.820 -0.005 0.000 2.032 147 A HA -0.022 4.298 4.320 -0.000 0.000 0.221 147 A C 1.381 179.078 177.584 0.187 0.000 1.165 147 A CA 1.666 53.727 52.037 0.039 0.000 0.645 147 A CB -0.261 18.704 19.000 -0.059 0.000 0.807 147 A HN 0.422 nan 8.150 nan 0.000 0.453 148 T N -4.028 110.590 114.554 0.107 0.000 2.896 148 T HA 0.574 4.924 4.350 -0.000 0.000 0.297 148 T C 0.402 175.119 174.700 0.027 0.000 1.108 148 T CA 0.076 62.226 62.100 0.083 0.000 1.004 148 T CB 1.755 70.662 68.868 0.064 0.000 1.159 148 T HN 0.455 nan 8.240 nan 0.000 0.499 149 A N 2.664 125.490 122.820 0.010 0.000 2.220 149 A HA 0.311 4.631 4.320 -0.000 0.000 0.211 149 A C 0.663 178.232 177.584 -0.025 0.000 1.176 149 A CA -0.084 51.949 52.037 -0.007 0.000 0.834 149 A CB -0.197 18.799 19.000 -0.007 0.000 0.868 149 A HN 0.736 nan 8.150 nan 0.000 0.488 150 N N 0.832 119.512 118.700 -0.032 0.000 2.431 150 N HA 0.086 4.826 4.740 -0.000 0.000 0.265 150 N C 0.561 176.030 175.510 -0.067 0.000 1.184 150 N CA -0.187 52.831 53.050 -0.053 0.000 0.943 150 N CB 1.126 39.576 38.487 -0.062 0.000 1.080 150 N HN 0.199 nan 8.380 nan 0.000 0.477 151 I N 2.217 122.742 120.570 -0.075 0.000 2.567 151 I HA -0.161 4.009 4.170 -0.000 0.000 0.257 151 I C 1.012 177.052 176.117 -0.129 0.000 1.184 151 I CA 1.162 62.410 61.300 -0.087 0.000 1.451 151 I CB -0.128 37.824 38.000 -0.079 0.000 1.089 151 I HN 0.402 nan 8.210 nan 0.000 0.441 152 N N 0.432 119.039 118.700 -0.155 0.000 2.314 152 N HA 0.028 4.768 4.740 -0.000 0.000 0.200 152 N C 0.075 175.449 175.510 -0.226 0.000 1.135 152 N CA 0.344 53.254 53.050 -0.235 0.000 0.835 152 N CB 0.129 38.457 38.487 -0.265 0.000 0.989 152 N HN 0.398 nan 8.380 nan 0.000 0.478 153 D N 0.532 120.844 120.400 -0.148 0.000 2.571 153 D HA 0.091 4.731 4.640 -0.000 0.000 0.239 153 D C -0.007 176.247 176.300 -0.078 0.000 1.267 153 D CA 0.166 54.100 54.000 -0.110 0.000 0.823 153 D CB 0.847 41.605 40.800 -0.070 0.000 1.056 153 D HN 0.385 nan 8.370 nan 0.000 0.494 154 K N -0.256 120.087 120.400 -0.095 0.000 2.527 154 K HA 0.673 4.993 4.320 -0.000 0.000 0.260 154 K C -1.504 175.049 176.600 -0.078 0.000 0.937 154 K CA -0.894 55.351 56.287 -0.070 0.000 0.826 154 K CB 2.571 35.038 32.500 -0.056 0.000 1.359 154 K HN -0.139 nan 8.250 nan 0.000 0.434 155 I N 0.683 121.219 120.570 -0.057 0.000 2.692 155 I HA 0.547 4.717 4.170 -0.000 0.000 0.293 155 I C -1.237 174.862 176.117 -0.030 0.000 1.200 155 I CA -0.010 61.268 61.300 -0.038 0.000 1.036 155 I CB 2.455 40.447 38.000 -0.014 0.000 1.258 155 I HN 0.885 nan 8.210 nan 0.000 0.421 156 G N 3.953 112.745 108.800 -0.013 0.000 2.495 156 G HA2 0.389 4.348 3.960 -0.000 0.000 0.318 156 G HA3 0.389 4.348 3.960 -0.000 0.000 0.318 156 G C -0.540 174.387 174.900 0.045 0.000 1.257 156 G CA -0.554 44.541 45.100 -0.007 0.000 0.962 156 G HN 0.665 nan 8.290 nan 0.000 0.483 157 N N -0.598 118.154 118.700 0.088 0.000 2.714 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 157 N C 0.311 175.893 175.510 0.120 0.000 1.014 157 N CA 0.683 53.823 53.050 0.151 0.000 0.735 157 N CB -0.912 37.656 38.487 0.134 0.000 0.924 157 N HN 0.396 nan 8.380 nan 0.000 0.540 158 V N 0.972 120.956 119.914 0.118 0.000 2.649 158 V HA 0.165 4.285 4.120 -0.000 0.000 0.292 158 V C 1.366 177.526 176.094 0.110 0.000 1.055 158 V CA -0.633 61.729 62.300 0.103 0.000 1.023 158 V CB 1.277 33.161 31.823 0.101 0.000 0.992 158 V HN 0.159 nan 8.190 nan 0.000 0.480 159 L N 4.919 126.195 121.223 0.089 0.000 2.455 159 L HA 0.081 4.421 4.340 -0.000 0.000 0.272 159 L C 1.604 178.521 176.870 0.077 0.000 1.174 159 L CA -0.169 54.718 54.840 0.079 0.000 0.869 159 L CB 0.902 42.997 42.059 0.060 0.000 1.130 159 L HN 0.755 nan 8.230 nan 0.000 0.474 160 V N 1.044 121.004 119.914 0.077 0.000 2.380 160 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 160 V C 2.119 178.236 176.094 0.037 0.000 1.063 160 V CA 2.049 64.386 62.300 0.061 0.000 1.055 160 V CB -1.350 30.496 31.823 0.039 0.000 0.657 160 V HN 1.010 nan 8.190 nan 0.000 0.455 161 G N 0.979 109.798 108.800 0.032 0.000 2.422 161 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 161 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 161 G C 1.491 176.410 174.900 0.032 0.000 1.140 161 G CA 0.996 46.110 45.100 0.024 0.000 0.775 161 G HN 0.811 nan 8.290 nan 0.000 0.545 162 E N -0.184 120.042 120.200 0.044 0.000 2.076 162 E HA 0.348 4.698 4.350 -0.000 0.000 0.190 162 E C 1.295 177.928 176.600 0.055 0.000 0.979 162 E CA 0.925 57.355 56.400 0.050 0.000 0.807 162 E CB -0.243 29.493 29.700 0.060 0.000 0.761 162 E HN 0.727 nan 8.360 nan 0.000 0.454 163 G N -0.772 108.065 108.800 0.062 0.000 2.712 163 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.683 163 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.683 163 G C -0.875 174.072 174.900 0.079 0.000 1.320 163 G CA -0.410 44.728 45.100 0.064 0.000 0.847 163 G HN 0.449 nan 8.290 nan 0.000 0.553 164 V N 0.253 120.212 119.914 0.075 0.000 2.823 164 V HA 0.864 4.984 4.120 -0.000 0.000 0.312 164 V C 0.277 176.388 176.094 0.029 0.000 1.072 164 V CA -0.096 62.252 62.300 0.080 0.000 0.937 164 V CB 2.481 34.363 31.823 0.099 0.000 1.013 164 V HN 1.224 nan 8.190 nan 0.000 0.430 165 T N 3.241 117.795 114.554 0.002 0.000 2.812 165 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 165 T C -0.716 173.907 174.700 -0.127 0.000 0.990 165 T CA -0.344 61.657 62.100 -0.165 0.000 0.960 165 T CB 1.569 70.174 68.868 -0.439 0.000 0.948 165 T HN 0.338 nan 8.240 nan 0.000 0.438 166 V N 4.516 124.300 119.914 -0.217 0.000 2.370 166 V HA 0.508 4.628 4.120 -0.000 0.000 0.279 166 V C -0.441 175.508 176.094 -0.241 0.000 1.029 166 V CA -0.745 61.434 62.300 -0.202 0.000 0.870 166 V CB 1.245 32.841 31.823 -0.380 0.000 0.984 166 V HN 0.657 nan 8.190 nan 0.000 0.451 167 L N 5.029 126.184 121.223 -0.113 0.000 2.333 167 L HA 0.603 4.943 4.340 -0.000 0.000 0.280 167 L C 0.229 177.067 176.870 -0.055 0.000 1.004 167 L CA 0.348 55.124 54.840 -0.106 0.000 0.820 167 L CB 2.136 44.207 42.059 0.019 0.000 1.247 167 L HN 0.587 nan 8.230 nan 0.000 0.416 168 S N 5.961 121.618 115.700 -0.072 0.000 2.448 168 S HA 0.541 5.010 4.470 -0.000 0.000 0.279 168 S C -0.216 174.373 174.600 -0.018 0.000 1.195 168 S CA -0.381 57.794 58.200 -0.042 0.000 1.051 168 S CB 0.023 63.198 63.200 -0.042 0.000 0.948 168 S HN 0.487 nan 8.310 nan 0.000 0.493 169 L N 5.242 126.453 121.223 -0.019 0.000 2.331 169 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 169 L C -1.726 175.110 176.870 -0.057 0.000 1.022 169 L CA -2.307 52.522 54.840 -0.018 0.000 0.812 169 L CB 1.101 43.145 42.059 -0.025 0.000 1.257 169 L HN 0.399 nan 8.230 nan 0.000 0.435 170 P HA 0.024 nan 4.420 nan 0.000 0.267 170 P C -0.514 176.632 177.300 -0.257 0.000 1.200 170 P CA -0.031 62.907 63.100 -0.269 0.000 0.772 170 P CB 0.770 32.101 31.700 -0.614 0.000 0.855 171 T N 0.263 114.654 114.554 -0.272 0.000 3.514 171 T HA 0.374 4.724 4.350 -0.000 0.000 0.259 171 T C -0.321 174.216 174.700 -0.272 0.000 1.466 171 T CA -0.118 61.852 62.100 -0.217 0.000 1.562 171 T CB -0.746 68.031 68.868 -0.153 0.000 0.924 171 T HN 0.783 nan 8.240 nan 0.000 0.678 172 S N 0.710 116.201 115.700 -0.347 0.000 2.922 172 S HA -0.094 4.376 4.470 -0.000 0.000 0.854 172 S C -1.130 173.230 174.600 -0.399 0.000 0.921 172 S CA -0.668 57.346 58.200 -0.310 0.000 1.418 172 S CB -0.622 62.448 63.200 -0.217 0.000 1.015 172 S HN 0.536 nan 8.310 nan 0.000 0.230 173 Y N 1.542 121.804 120.300 -0.063 0.000 2.699 173 Y HA 0.490 5.040 4.550 -0.000 0.000 0.326 173 Y C 1.096 176.956 175.900 -0.067 0.000 1.141 173 Y CA -0.335 57.726 58.100 -0.064 0.000 1.246 173 Y CB 0.717 39.141 38.460 -0.060 0.000 1.426 173 Y HN 0.819 nan 8.280 nan 0.000 0.559 174 D N 0.827 121.318 120.400 0.151 0.000 2.772 174 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 174 D C -1.029 175.297 176.300 0.043 0.000 1.143 174 D CA 0.753 54.794 54.000 0.068 0.000 0.700 174 D CB -1.021 39.809 40.800 0.050 0.000 1.076 174 D HN 0.270 nan 8.370 nan 0.000 0.430 175 L N 0.011 121.254 121.223 0.034 0.000 2.395 175 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 175 L C 1.792 178.733 176.870 0.119 0.000 1.133 175 L CA -0.061 54.779 54.840 0.000 0.000 0.812 175 L CB 0.993 42.991 42.059 -0.101 0.000 1.125 175 L HN 0.026 nan 8.230 nan 0.000 0.452 176 G N 0.469 109.405 108.800 0.228 0.000 2.599 176 G HA2 0.227 4.187 3.960 -0.000 0.000 0.264 176 G HA3 0.227 4.187 3.960 -0.000 0.000 0.264 176 G C -0.990 174.068 174.900 0.263 0.000 1.200 176 G CA -0.345 44.914 45.100 0.265 0.000 0.896 176 G HN 0.322 nan 8.290 nan 0.000 0.536 177 Y N -0.850 119.508 120.300 0.096 0.000 2.411 177 Y HA 0.301 4.851 4.550 -0.000 0.000 0.333 177 Y C 0.838 176.789 175.900 0.085 0.000 1.186 177 Y CA 0.013 58.164 58.100 0.085 0.000 1.381 177 Y CB 1.213 39.692 38.460 0.032 0.000 1.273 177 Y HN 0.148 nan 8.280 nan 0.000 0.546 178 V N 4.422 124.373 119.914 0.061 0.000 2.532 178 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 178 V C -0.059 176.056 176.094 0.034 0.000 1.041 178 V CA -1.225 61.008 62.300 -0.112 0.000 0.926 178 V CB 1.564 33.075 31.823 -0.519 0.000 0.992 178 V HN 0.562 nan 8.190 nan 0.000 0.457 179 R N 2.659 123.133 120.500 -0.043 0.000 2.491 179 R HA 0.308 4.648 4.340 -0.000 0.000 0.283 179 R C 0.547 176.723 176.300 -0.208 0.000 1.072 179 R CA 0.150 56.069 56.100 -0.302 0.000 1.048 179 R CB 0.348 30.498 30.300 -0.250 0.000 0.983 179 R HN 0.714 nan 8.270 nan 0.000 0.450 180 L N 3.190 124.283 121.223 -0.216 0.000 2.558 180 L HA 0.221 4.561 4.340 -0.000 0.000 0.225 180 L C 0.992 177.829 176.870 -0.055 0.000 1.128 180 L CA 0.705 55.483 54.840 -0.104 0.000 0.868 180 L CB 0.096 42.113 42.059 -0.071 0.000 1.006 180 L HN 1.093 nan 8.230 nan 0.000 0.454 181 G N 0.944 109.695 108.800 -0.083 0.000 2.171 181 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.238 181 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.238 181 G C -0.070 174.803 174.900 -0.046 0.000 1.039 181 G CA 0.182 45.254 45.100 -0.046 0.000 0.759 181 G HN 0.518 nan 8.290 nan 0.000 0.501 182 D N 0.125 120.480 120.400 -0.075 0.000 2.382 182 D HA 0.364 5.004 4.640 -0.000 0.000 0.240 182 D C -2.227 174.042 176.300 -0.052 0.000 1.146 182 D CA -1.365 52.598 54.000 -0.061 0.000 0.897 182 D CB 1.175 41.924 40.800 -0.085 0.000 1.197 182 D HN 0.202 nan 8.370 nan 0.000 0.432 183 P HA 0.203 nan 4.420 nan 0.000 0.275 183 P C -0.100 177.179 177.300 -0.036 0.000 1.228 183 P CA -0.268 62.812 63.100 -0.032 0.000 0.786 183 P CB 0.820 32.505 31.700 -0.025 0.000 0.927 184 I N -0.500 120.051 120.570 -0.031 0.000 2.750 184 I HA 0.621 4.791 4.170 -0.000 0.000 0.308 184 I C -2.555 173.549 176.117 -0.021 0.000 1.016 184 I CA -3.400 57.883 61.300 -0.028 0.000 1.098 184 I CB 1.177 39.160 38.000 -0.028 0.000 1.279 184 I HN 0.029 nan 8.210 nan 0.000 0.454 185 P HA 0.339 nan 4.420 nan 0.000 0.263 185 P C -0.912 176.380 177.300 -0.013 0.000 1.195 185 P CA 0.166 63.257 63.100 -0.015 0.000 0.762 185 P CB 0.635 32.327 31.700 -0.013 0.000 0.799 186 A N 3.282 126.095 122.820 -0.012 0.000 2.604 186 A HA 0.749 5.069 4.320 -0.000 0.000 0.295 186 A C -1.394 176.184 177.584 -0.009 0.000 1.067 186 A CA -0.508 51.522 52.037 -0.011 0.000 0.683 186 A CB 1.102 20.095 19.000 -0.012 0.000 1.281 186 A HN 0.407 nan 8.150 nan 0.000 0.407 187 I N 0.540 121.105 120.570 -0.008 0.000 2.647 187 I HA 0.743 4.913 4.170 -0.000 0.000 0.295 187 I C 0.407 176.521 176.117 -0.006 0.000 1.078 187 I CA -0.556 60.739 61.300 -0.007 0.000 1.048 187 I CB 2.739 40.735 38.000 -0.006 0.000 1.239 187 I HN 0.956 nan 8.210 nan 0.000 0.421 188 G N 3.626 112.422 108.800 -0.006 0.000 2.677 188 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 188 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 188 G C 0.037 174.934 174.900 -0.005 0.000 1.435 188 G CA -0.642 44.455 45.100 -0.005 0.000 0.826 188 G HN 0.541 nan 8.290 nan 0.000 0.491 189 L N -0.414 120.807 121.223 -0.005 0.000 2.093 189 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 189 L C 0.978 177.846 176.870 -0.004 0.000 1.085 189 L CA 0.686 55.524 54.840 -0.004 0.000 0.755 189 L CB 0.003 42.059 42.059 -0.004 0.000 0.904 189 L HN 0.380 nan 8.230 nan 0.000 0.435 190 D N 0.001 120.399 120.400 -0.004 0.000 2.343 190 D HA 0.068 4.708 4.640 -0.000 0.000 0.255 190 D C -1.659 174.639 176.300 -0.004 0.000 1.187 190 D CA -1.706 52.291 54.000 -0.004 0.000 0.875 190 D CB 1.755 42.552 40.800 -0.005 0.000 1.136 190 D HN -0.102 nan 8.370 nan 0.000 0.469 191 P HA -0.037 nan 4.420 nan 0.000 0.221 191 P C 0.656 177.954 177.300 -0.002 0.000 1.150 191 P CA 0.926 64.024 63.100 -0.002 0.000 0.800 191 P CB 0.318 32.017 31.700 -0.002 0.000 0.787 192 K N -1.247 119.151 120.400 -0.002 0.000 2.458 192 K HA 0.116 4.436 4.320 -0.000 0.000 0.194 192 K C 0.899 177.498 176.600 -0.003 0.000 1.024 192 K CA -0.076 56.210 56.287 -0.002 0.000 1.108 192 K CB -0.206 32.293 32.500 -0.001 0.000 0.846 192 K HN 0.276 nan 8.250 nan 0.000 0.518 193 M N 2.100 121.698 119.600 -0.004 0.000 2.248 193 M HA 0.006 4.486 4.480 -0.000 0.000 0.345 193 M C -0.831 175.466 176.300 -0.005 0.000 1.243 193 M CA 0.737 56.034 55.300 -0.005 0.000 1.090 193 M CB 0.503 33.100 32.600 -0.006 0.000 1.683 193 M HN -0.225 nan 8.290 nan 0.000 0.450 194 V N 4.191 124.101 119.914 -0.006 0.000 2.760 194 V HA 0.819 4.939 4.120 -0.000 0.000 0.309 194 V C -0.759 175.329 176.094 -0.010 0.000 1.077 194 V CA -0.858 61.437 62.300 -0.007 0.000 0.910 194 V CB 1.817 33.638 31.823 -0.005 0.000 1.008 194 V HN 0.955 nan 8.190 nan 0.000 0.424 195 A N 2.929 125.741 122.820 -0.013 0.000 2.402 195 A HA 0.929 5.249 4.320 -0.000 0.000 0.291 195 A C -0.331 177.239 177.584 -0.024 0.000 1.051 195 A CA -0.183 51.843 52.037 -0.018 0.000 0.716 195 A CB 1.831 20.821 19.000 -0.017 0.000 1.223 195 A HN 1.048 nan 8.150 nan 0.000 0.425 196 T N -1.973 112.563 114.554 -0.030 0.000 2.883 196 T HA 0.602 4.952 4.350 -0.000 0.000 0.296 196 T C -0.753 173.915 174.700 -0.053 0.000 1.117 196 T CA -0.724 61.353 62.100 -0.039 0.000 1.006 196 T CB 1.358 70.207 68.868 -0.032 0.000 1.191 196 T HN 1.293 nan 8.240 nan 0.000 0.508 197 C N 2.428 121.687 119.300 -0.068 0.000 2.264 197 C HA 0.642 5.102 4.460 -0.000 0.000 0.324 197 C C -0.598 174.334 174.990 -0.097 0.000 1.267 197 C CA -0.417 58.550 59.018 -0.085 0.000 1.618 197 C CB -1.158 26.524 27.740 -0.098 0.000 2.278 197 C HN 0.871 nan 8.230 nan 0.000 0.499 198 D N 2.617 122.963 120.400 -0.091 0.000 2.332 198 D HA 0.236 4.876 4.640 -0.000 0.000 0.252 198 D C -0.058 176.206 176.300 -0.061 0.000 1.050 198 D CA 0.192 54.149 54.000 -0.072 0.000 0.970 198 D CB 1.727 42.487 40.800 -0.066 0.000 1.141 198 D HN 0.631 nan 8.370 nan 0.000 0.485 199 S N -0.316 115.363 115.700 -0.035 0.000 2.498 199 S HA 0.168 4.638 4.470 -0.000 0.000 0.281 199 S C 0.822 175.435 174.600 0.023 0.000 1.265 199 S CA 0.178 58.353 58.200 -0.042 0.000 1.071 199 S CB 0.143 63.306 63.200 -0.062 0.000 0.894 199 S HN 0.463 nan 8.310 nan 0.000 0.491 200 S N 2.408 118.125 115.700 0.028 0.000 2.918 200 S HA 0.204 4.674 4.470 -0.000 0.000 0.264 200 S C -0.404 174.253 174.600 0.096 0.000 1.078 200 S CA -0.385 57.865 58.200 0.082 0.000 0.918 200 S CB -0.721 62.500 63.200 0.035 0.000 0.882 200 S HN 0.660 nan 8.310 nan 0.000 0.466 201 D N 3.263 123.713 120.400 0.083 0.000 2.525 201 D HA 0.273 4.913 4.640 -0.000 0.000 0.235 201 D C 0.144 176.521 176.300 0.128 0.000 1.137 201 D CA 0.714 54.778 54.000 0.107 0.000 0.868 201 D CB -0.003 40.875 40.800 0.130 0.000 1.180 201 D HN 0.199 nan 8.370 nan 0.000 0.465 202 R N -0.365 120.198 120.500 0.105 0.000 3.184 202 R HA -0.107 4.233 4.340 -0.000 0.000 0.257 202 R C -2.435 173.906 176.300 0.068 0.000 0.999 202 R CA -0.050 56.103 56.100 0.088 0.000 0.670 202 R CB -1.737 28.642 30.300 0.131 0.000 1.197 202 R HN 0.457 nan 8.270 nan 0.000 0.419 203 P HA 0.056 nan 4.420 nan 0.000 0.272 203 P C -0.385 176.893 177.300 -0.037 0.000 1.230 203 P CA -0.081 63.032 63.100 0.021 0.000 0.788 203 P CB 0.700 32.417 31.700 0.029 0.000 0.949 204 R N 0.956 121.406 120.500 -0.083 0.000 2.460 204 R HA 0.546 4.886 4.340 -0.000 0.000 0.303 204 R C -1.420 174.743 176.300 -0.227 0.000 0.968 204 R CA -0.736 55.255 56.100 -0.182 0.000 0.889 204 R CB 0.978 31.148 30.300 -0.217 0.000 1.123 204 R HN 0.254 nan 8.270 nan 0.000 0.455 205 V N 5.224 124.971 119.914 -0.278 0.000 2.531 205 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 205 V C -1.292 174.648 176.094 -0.256 0.000 1.034 205 V CA -0.703 61.477 62.300 -0.199 0.000 0.865 205 V CB 1.564 33.326 31.823 -0.100 0.000 0.995 205 V HN 0.705 nan 8.190 nan 0.000 0.424 206 Y N 1.678 121.955 120.300 -0.037 0.000 2.352 206 Y HA 0.584 5.134 4.550 -0.000 0.000 0.339 206 Y C 0.686 176.547 175.900 -0.065 0.000 0.992 206 Y CA -0.554 57.521 58.100 -0.041 0.000 1.100 206 Y CB 2.204 40.648 38.460 -0.028 0.000 1.192 206 Y HN 0.500 nan 8.280 nan 0.000 0.458 207 T N 5.498 120.097 114.554 0.074 0.000 2.770 207 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 207 T C -0.479 174.173 174.700 -0.080 0.000 0.988 207 T CA -0.481 61.607 62.100 -0.020 0.000 0.957 207 T CB 0.207 69.054 68.868 -0.034 0.000 0.930 207 T HN 0.383 nan 8.240 nan 0.000 0.443 208 I N 3.010 123.477 120.570 -0.172 0.000 2.382 208 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 208 I C 0.267 176.180 176.117 -0.340 0.000 1.002 208 I CA -0.613 60.492 61.300 -0.326 0.000 1.135 208 I CB 1.738 39.394 38.000 -0.574 0.000 1.288 208 I HN 0.468 nan 8.210 nan 0.000 0.448 209 T N 5.967 120.356 114.554 -0.275 0.000 2.997 209 T HA 0.227 4.577 4.350 -0.000 0.000 0.311 209 T C 1.201 175.730 174.700 -0.284 0.000 1.079 209 T CA -0.301 61.667 62.100 -0.221 0.000 0.982 209 T CB 1.094 69.881 68.868 -0.135 0.000 1.032 209 T HN 0.753 nan 8.240 nan 0.000 0.581 210 A N 2.721 125.324 122.820 -0.361 0.000 2.015 210 A HA 0.506 4.826 4.320 -0.000 0.000 0.219 210 A C 1.232 178.724 177.584 -0.153 0.000 1.163 210 A CA 0.729 52.553 52.037 -0.355 0.000 0.646 210 A CB 0.044 18.894 19.000 -0.250 0.000 0.806 210 A HN 0.886 nan 8.150 nan 0.000 0.448 211 A N -0.968 121.787 122.820 -0.108 0.000 2.555 211 A HA 0.534 4.854 4.320 -0.000 0.000 0.297 211 A C -1.848 175.732 177.584 -0.007 0.000 1.060 211 A CA -0.298 51.727 52.037 -0.020 0.000 0.710 211 A CB 1.004 20.025 19.000 0.034 0.000 1.282 211 A HN 0.033 nan 8.150 nan 0.000 0.399 212 D N 2.183 122.609 120.400 0.044 0.000 2.400 212 D HA 0.405 5.045 4.640 -0.000 0.000 0.272 212 D C -0.601 175.740 176.300 0.068 0.000 1.220 212 D CA 0.309 54.327 54.000 0.029 0.000 0.897 212 D CB 0.234 41.043 40.800 0.016 0.000 1.134 212 D HN 0.466 nan 8.370 nan 0.000 0.507 213 D N 1.733 122.173 120.400 0.067 0.000 2.746 213 D HA -0.280 4.360 4.640 -0.000 0.000 0.236 213 D C -0.540 175.836 176.300 0.127 0.000 1.129 213 D CA 0.434 54.483 54.000 0.081 0.000 0.691 213 D CB -1.685 39.151 40.800 0.060 0.000 1.077 213 D HN 0.492 nan 8.370 nan 0.000 0.432 214 Y N 1.328 121.666 120.300 0.064 0.000 2.442 214 Y HA 0.214 4.764 4.550 -0.000 0.000 0.330 214 Y C 0.402 176.381 175.900 0.132 0.000 1.129 214 Y CA 0.080 58.237 58.100 0.095 0.000 1.365 214 Y CB 0.637 39.171 38.460 0.124 0.000 1.233 214 Y HN -0.060 nan 8.280 nan 0.000 0.529 215 Q N 7.605 127.003 119.800 -0.670 0.000 2.331 215 Q HA 0.217 4.557 4.340 -0.000 0.000 0.257 215 Q C -1.476 174.013 176.000 -0.852 0.000 0.957 215 Q CA -0.455 55.026 55.803 -0.536 0.000 0.923 215 Q CB 1.636 30.198 28.738 -0.294 0.000 1.212 215 Q HN 0.720 nan 8.270 nan 0.000 0.443 216 F N 1.582 121.024 119.950 -0.847 0.000 2.469 216 F HA 0.492 5.019 4.527 -0.000 0.000 0.332 216 F C -0.513 174.911 175.800 -0.627 0.000 1.103 216 F CA -0.689 56.749 58.000 -0.937 0.000 0.979 216 F CB 1.779 39.663 39.000 -1.860 0.000 1.137 216 F HN 0.390 nan 8.300 nan 0.000 0.463 217 S N 4.641 119.601 115.700 -1.233 0.000 2.706 217 S HA 0.585 5.055 4.470 -0.000 0.000 0.270 217 S C -1.473 172.593 174.600 -0.889 0.000 1.163 217 S CA -0.347 57.370 58.200 -0.805 0.000 1.042 217 S CB 0.832 63.779 63.200 -0.421 0.000 1.079 217 S HN 0.911 nan 8.310 nan 0.000 0.474 218 S N 3.414 118.672 115.700 -0.737 0.000 2.564 218 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 218 S C -1.293 173.226 174.600 -0.134 0.000 1.124 218 S CA -0.578 57.363 58.200 -0.431 0.000 0.869 218 S CB 1.732 64.681 63.200 -0.419 0.000 1.105 218 S HN 0.805 nan 8.310 nan 0.000 0.472 219 Q N 1.854 121.613 119.800 -0.067 0.000 2.352 219 Q HA 0.198 4.538 4.340 -0.000 0.000 0.260 219 Q C -0.726 175.332 176.000 0.097 0.000 0.976 219 Q CA -0.074 55.739 55.803 0.018 0.000 0.881 219 Q CB 0.541 29.280 28.738 0.002 0.000 1.235 219 Q HN 0.699 nan 8.270 nan 0.000 0.419 220 Y N 1.720 122.031 120.300 0.019 0.000 2.245 220 Y HA -0.059 4.491 4.550 -0.000 0.000 0.355 220 Y C -0.248 175.677 175.900 0.042 0.000 1.278 220 Y CA 0.634 58.762 58.100 0.048 0.000 1.593 220 Y CB 0.638 39.126 38.460 0.046 0.000 1.393 220 Y HN 0.574 nan 8.280 nan 0.000 0.662 221 Q N 0.464 119.726 119.800 -0.896 0.000 2.541 221 Q HA 0.235 4.575 4.340 -0.000 0.000 0.259 221 Q C -1.330 174.103 176.000 -0.944 0.000 0.974 221 Q CA -0.682 54.779 55.803 -0.570 0.000 0.955 221 Q CB 1.529 30.082 28.738 -0.308 0.000 1.517 221 Q HN 0.756 nan 8.270 nan 0.000 0.412 222 S N 0.202 115.703 115.700 -0.332 0.000 2.546 222 S HA 0.393 4.863 4.470 -0.000 0.000 0.290 222 S C 1.118 175.629 174.600 -0.148 0.000 1.290 222 S CA 0.874 59.005 58.200 -0.116 0.000 1.069 222 S CB 0.620 63.828 63.200 0.014 0.000 0.846 222 S HN 1.260 nan 8.310 nan 0.000 0.495 223 G N 1.919 110.703 108.800 -0.026 0.000 2.175 223 G HA2 0.300 4.260 3.960 -0.000 0.000 0.244 223 G HA3 0.300 4.260 3.960 -0.000 0.000 0.244 223 G C 0.975 175.870 174.900 -0.010 0.000 0.982 223 G CA 0.094 45.196 45.100 0.003 0.000 0.641 223 G HN 2.659 nan 8.290 nan 0.000 0.527 224 G N -2.072 106.646 108.800 -0.137 0.000 2.907 224 G HA2 0.296 4.255 3.960 -0.000 0.000 0.686 224 G HA3 0.296 4.255 3.960 -0.000 0.000 0.686 224 G C -0.371 174.477 174.900 -0.087 0.000 1.115 224 G CA -0.073 45.011 45.100 -0.026 0.000 0.760 224 G HN 1.480 nan 8.290 nan 0.000 0.620 225 V N 2.417 122.339 119.914 0.012 0.000 2.455 225 V HA 0.521 4.641 4.120 -0.000 0.000 0.273 225 V C 0.985 177.167 176.094 0.147 0.000 1.045 225 V CA 0.301 62.647 62.300 0.077 0.000 0.976 225 V CB 1.254 33.200 31.823 0.206 0.000 0.993 225 V HN 0.899 nan 8.190 nan 0.000 0.475 226 T N 7.345 121.956 114.554 0.095 0.000 2.767 226 T HA 0.666 5.016 4.350 -0.000 0.000 0.284 226 T C -0.132 174.630 174.700 0.104 0.000 0.973 226 T CA -0.113 62.040 62.100 0.088 0.000 0.996 226 T CB 0.757 69.649 68.868 0.040 0.000 0.927 226 T HN 0.664 nan 8.240 nan 0.000 0.456 227 I N -0.452 120.183 120.570 0.108 0.000 2.892 227 I HA 0.680 4.850 4.170 -0.000 0.000 0.306 227 I C -0.674 175.475 176.117 0.053 0.000 1.078 227 I CA -0.868 60.500 61.300 0.114 0.000 1.032 227 I CB 2.529 40.650 38.000 0.203 0.000 1.229 227 I HN 0.299 nan 8.210 nan 0.000 0.435 228 T N 5.279 119.844 114.554 0.018 0.000 3.016 228 T HA 0.206 4.556 4.350 -0.000 0.000 0.335 228 T C 0.861 175.550 174.700 -0.019 0.000 1.176 228 T CA -0.314 61.758 62.100 -0.046 0.000 0.987 228 T CB 0.710 69.522 68.868 -0.093 0.000 1.073 228 T HN 0.605 nan 8.240 nan 0.000 0.547 229 L N 4.556 125.789 121.223 0.015 0.000 2.051 229 L HA 0.092 4.431 4.340 -0.000 0.000 0.214 229 L C 0.237 177.160 176.870 0.089 0.000 1.076 229 L CA 1.902 56.769 54.840 0.046 0.000 0.758 229 L CB -0.439 41.708 42.059 0.146 0.000 0.890 229 L HN 0.679 nan 8.230 nan 0.000 0.433 230 F N -3.082 116.834 119.950 -0.058 0.000 2.741 230 F HA 0.606 5.133 4.527 -0.000 0.000 0.311 230 F C -0.844 174.926 175.800 -0.050 0.000 1.149 230 F CA -0.709 57.250 58.000 -0.069 0.000 0.930 230 F CB 0.522 39.472 39.000 -0.083 0.000 1.312 230 F HN -0.265 nan 8.300 nan 0.000 0.450 231 S N 1.598 117.365 115.700 0.112 0.000 2.619 231 S HA 0.896 5.366 4.470 -0.000 0.000 0.280 231 S C -1.445 173.266 174.600 0.184 0.000 1.150 231 S CA 0.166 58.351 58.200 -0.025 0.000 0.978 231 S CB 1.125 64.283 63.200 -0.071 0.000 1.041 231 S HN 1.669 nan 8.310 nan 0.000 0.485 232 A N 4.044 126.966 122.820 0.170 0.000 2.475 232 A HA 0.742 5.062 4.320 -0.000 0.000 0.301 232 A C -0.999 176.575 177.584 -0.016 0.000 1.059 232 A CA -0.868 51.232 52.037 0.106 0.000 0.710 232 A CB 1.165 20.250 19.000 0.143 0.000 1.288 232 A HN 0.720 nan 8.150 nan 0.000 0.408 233 N N 1.226 119.895 118.700 -0.051 0.000 2.458 233 N HA 0.582 5.321 4.740 -0.000 0.000 0.270 233 N C -0.454 174.931 175.510 -0.208 0.000 1.102 233 N CA 0.219 53.223 53.050 -0.077 0.000 0.967 233 N CB 0.761 39.236 38.487 -0.020 0.000 1.078 233 N HN 0.734 nan 8.380 nan 0.000 0.471 234 I N -1.871 118.552 120.570 -0.246 0.000 3.102 234 I HA 0.579 4.749 4.170 -0.000 0.000 0.310 234 I C -1.205 174.860 176.117 -0.087 0.000 1.246 234 I CA -0.934 60.067 61.300 -0.499 0.000 0.979 234 I CB 2.804 40.339 38.000 -0.776 0.000 1.267 234 I HN 0.037 nan 8.210 nan 0.000 0.451 235 D N 2.363 122.828 120.400 0.108 0.000 2.481 235 D HA 0.763 5.403 4.640 -0.000 0.000 0.244 235 D C -1.084 175.300 176.300 0.139 0.000 1.057 235 D CA -0.230 53.857 54.000 0.145 0.000 0.848 235 D CB 2.434 43.349 40.800 0.193 0.000 1.388 235 D HN 0.922 nan 8.370 nan 0.000 0.475 236 A N 1.768 124.631 122.820 0.072 0.000 2.540 236 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 236 A C -0.384 177.190 177.584 -0.016 0.000 1.056 236 A CA -0.499 51.564 52.037 0.043 0.000 0.700 236 A CB 0.853 19.880 19.000 0.046 0.000 1.280 236 A HN 0.544 nan 8.150 nan 0.000 0.398 237 I N 0.400 120.942 120.570 -0.048 0.000 4.338 237 I HA 0.135 4.305 4.170 -0.000 0.000 0.315 237 I C 1.092 177.169 176.117 -0.065 0.000 1.262 237 I CA 0.987 62.210 61.300 -0.128 0.000 1.298 237 I CB 0.884 38.706 38.000 -0.297 0.000 1.257 237 I HN 0.795 nan 8.210 nan 0.000 0.444 238 T N -1.416 113.143 114.554 0.008 0.000 2.773 238 T HA 0.433 4.783 4.350 -0.000 0.000 0.278 238 T C 0.256 175.000 174.700 0.073 0.000 1.011 238 T CA -0.517 61.611 62.100 0.047 0.000 1.014 238 T CB 1.231 70.161 68.868 0.103 0.000 1.293 238 T HN 0.116 nan 8.240 nan 0.000 0.554 239 S N 0.800 116.562 115.700 0.104 0.000 2.553 239 S HA 0.325 4.795 4.470 -0.000 0.000 0.293 239 S C 0.175 174.898 174.600 0.205 0.000 1.296 239 S CA -0.434 57.863 58.200 0.161 0.000 1.046 239 S CB -0.984 62.328 63.200 0.186 0.000 0.810 239 S HN 1.223 nan 8.310 nan 0.000 0.505 240 L N -1.085 120.224 121.223 0.143 0.000 2.479 240 L HA 0.921 5.261 4.340 -0.000 0.000 0.255 240 L C -0.681 176.211 176.870 0.037 0.000 1.026 240 L CA -1.040 53.776 54.840 -0.040 0.000 0.842 240 L CB 1.866 43.913 42.059 -0.021 0.000 1.444 240 L HN 0.851 nan 8.230 nan 0.000 0.409 241 S N 0.468 116.138 115.700 -0.049 0.000 2.570 241 S HA 0.823 5.293 4.470 -0.000 0.000 0.286 241 S C -0.971 173.654 174.600 0.041 0.000 1.099 241 S CA -0.682 57.558 58.200 0.066 0.000 0.913 241 S CB 1.943 65.238 63.200 0.160 0.000 1.085 241 S HN 0.668 nan 8.310 nan 0.000 0.480 242 I N 2.093 122.712 120.570 0.082 0.000 2.439 242 I HA 0.634 4.804 4.170 -0.000 0.000 0.285 242 I C 0.500 176.691 176.117 0.123 0.000 1.021 242 I CA -0.589 60.763 61.300 0.087 0.000 1.091 242 I CB 1.750 39.820 38.000 0.118 0.000 1.242 242 I HN 0.926 nan 8.210 nan 0.000 0.439 243 G N 3.063 111.910 108.800 0.079 0.000 2.816 243 G HA2 0.897 4.857 3.960 -0.000 0.000 0.288 243 G HA3 0.897 4.857 3.960 -0.000 0.000 0.288 243 G C -0.435 174.496 174.900 0.051 0.000 1.334 243 G CA -0.476 44.689 45.100 0.109 0.000 0.978 243 G HN 0.981 nan 8.290 nan 0.000 0.493 244 G N -1.165 107.696 108.800 0.102 0.000 2.318 244 G HA2 0.425 4.385 3.960 -0.000 0.000 0.367 244 G HA3 0.425 4.385 3.960 -0.000 0.000 0.367 244 G C -1.004 174.017 174.900 0.203 0.000 1.260 244 G CA 0.206 45.340 45.100 0.056 0.000 1.055 244 G HN 1.141 nan 8.290 nan 0.000 0.484 245 E N -1.270 119.021 120.200 0.151 0.000 2.388 245 E HA 0.550 4.900 4.350 -0.000 0.000 0.282 245 E C -1.532 175.184 176.600 0.193 0.000 1.026 245 E CA -0.827 55.733 56.400 0.267 0.000 0.820 245 E CB 1.510 31.305 29.700 0.158 0.000 1.226 245 E HN 0.650 nan 8.360 nan 0.000 0.432 246 L N 2.906 124.308 121.223 0.299 0.000 2.334 246 L HA 0.644 4.984 4.340 -0.000 0.000 0.276 246 L C -0.801 176.155 176.870 0.143 0.000 1.014 246 L CA -1.189 53.745 54.840 0.157 0.000 0.815 246 L CB 1.960 44.174 42.059 0.259 0.000 1.268 246 L HN 0.351 nan 8.230 nan 0.000 0.428 247 V N 2.923 122.807 119.914 -0.050 0.000 2.409 247 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 247 V C -0.618 175.377 176.094 -0.166 0.000 1.020 247 V CA -0.441 61.849 62.300 -0.018 0.000 0.848 247 V CB 1.497 33.257 31.823 -0.106 0.000 0.990 247 V HN 0.354 nan 8.190 nan 0.000 0.430 248 F N 2.950 122.835 119.950 -0.109 0.000 2.450 248 F HA 0.611 5.138 4.527 -0.000 0.000 0.332 248 F C 0.469 176.337 175.800 0.114 0.000 1.093 248 F CA -0.477 57.490 58.000 -0.055 0.000 1.003 248 F CB 1.274 40.190 39.000 -0.141 0.000 1.151 248 F HN 0.448 nan 8.300 nan 0.000 0.474 249 H N -0.001 119.237 119.070 0.279 0.000 2.637 249 H HA 0.605 5.161 4.556 -0.000 0.000 0.363 249 H C -0.813 174.674 175.328 0.264 0.000 1.131 249 H CA -0.822 55.354 56.048 0.214 0.000 1.183 249 H CB 2.465 32.319 29.762 0.152 0.000 1.637 249 H HN 0.604 nan 8.280 nan 0.000 0.531 250 T N 0.272 115.008 114.554 0.302 0.000 2.885 250 T HA 0.126 4.476 4.350 -0.000 0.000 0.322 250 T C 0.191 174.994 174.700 0.171 0.000 1.387 250 T CA -0.403 61.855 62.100 0.264 0.000 1.041 250 T CB 1.162 70.225 68.868 0.326 0.000 1.287 250 T HN 0.637 nan 8.240 nan 0.000 0.491 251 S N 1.040 116.839 115.700 0.164 0.000 2.512 251 S HA 0.322 4.792 4.470 -0.000 0.000 0.216 251 S C 0.500 175.212 174.600 0.186 0.000 1.006 251 S CA -0.202 58.084 58.200 0.143 0.000 0.915 251 S CB 0.266 63.522 63.200 0.093 0.000 0.824 251 S HN 0.490 nan 8.310 nan 0.000 0.497 252 V N 3.166 123.195 119.914 0.192 0.000 2.607 252 V HA 0.315 4.435 4.120 -0.000 0.000 0.289 252 V C 0.025 176.294 176.094 0.293 0.000 1.053 252 V CA -0.572 61.839 62.300 0.184 0.000 0.996 252 V CB 0.856 32.768 31.823 0.148 0.000 0.995 252 V HN 0.505 nan 8.190 nan 0.000 0.476 253 H N 2.203 121.300 119.070 0.046 0.000 2.496 253 H HA 0.485 5.041 4.556 -0.000 0.000 0.342 253 H C 1.166 176.513 175.328 0.031 0.000 1.170 253 H CA -0.140 55.930 56.048 0.036 0.000 1.274 253 H CB 1.436 31.210 29.762 0.020 0.000 1.538 253 H HN 0.937 nan 8.280 nan 0.000 0.542 254 G N 1.391 110.281 108.800 0.150 0.000 2.148 254 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 254 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 254 G C -0.020 174.918 174.900 0.064 0.000 0.981 254 G CA -0.068 45.079 45.100 0.079 0.000 0.670 254 G HN 0.379 nan 8.290 nan 0.000 0.528 255 L N 0.428 121.704 121.223 0.090 0.000 2.350 255 L HA 0.710 5.050 4.340 -0.000 0.000 0.275 255 L C 0.633 177.529 176.870 0.043 0.000 1.099 255 L CA -0.062 54.840 54.840 0.104 0.000 0.808 255 L CB 1.679 43.849 42.059 0.186 0.000 1.149 255 L HN 0.377 nan 8.230 nan 0.000 0.442 256 A N 4.447 127.288 122.820 0.035 0.000 2.422 256 A HA 0.787 5.107 4.320 -0.000 0.000 0.302 256 A C -1.019 176.536 177.584 -0.048 0.000 1.041 256 A CA -0.514 51.506 52.037 -0.029 0.000 0.708 256 A CB 1.241 20.232 19.000 -0.015 0.000 1.257 256 A HN 0.607 nan 8.150 nan 0.000 0.414 257 L N 1.447 122.571 121.223 -0.164 0.000 2.331 257 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 257 L C -1.009 175.762 176.870 -0.164 0.000 1.022 257 L CA -0.866 53.847 54.840 -0.212 0.000 0.812 257 L CB 1.991 43.754 42.059 -0.493 0.000 1.257 257 L HN 0.594 nan 8.230 nan 0.000 0.435 258 D N 1.939 122.277 120.400 -0.104 0.000 2.492 258 D HA 0.654 5.294 4.640 -0.000 0.000 0.248 258 D C -0.848 175.414 176.300 -0.064 0.000 1.101 258 D CA -0.009 53.947 54.000 -0.072 0.000 0.840 258 D CB 2.180 42.969 40.800 -0.018 0.000 1.209 258 D HN 0.573 nan 8.370 nan 0.000 0.524 259 A N 1.943 124.714 122.820 -0.082 0.000 2.356 259 A HA 0.757 5.077 4.320 -0.000 0.000 0.310 259 A C -0.560 177.008 177.584 -0.027 0.000 1.075 259 A CA -0.569 51.446 52.037 -0.037 0.000 0.746 259 A CB 1.425 20.388 19.000 -0.062 0.000 1.221 259 A HN 0.358 nan 8.150 nan 0.000 0.443 260 T N 3.103 117.685 114.554 0.047 0.000 2.881 260 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 260 T C -0.515 174.228 174.700 0.071 0.000 1.000 260 T CA -0.346 61.753 62.100 -0.001 0.000 0.978 260 T CB 0.901 69.734 68.868 -0.059 0.000 0.997 260 T HN 0.476 nan 8.240 nan 0.000 0.443 261 I N 3.365 123.933 120.570 -0.004 0.000 2.365 261 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 261 I C -0.752 175.323 176.117 -0.069 0.000 1.004 261 I CA -0.672 60.666 61.300 0.063 0.000 1.311 261 I CB 0.698 38.770 38.000 0.120 0.000 1.401 261 I HN 0.641 nan 8.210 nan 0.000 0.491 262 Y N 6.108 126.379 120.300 -0.049 0.000 2.409 262 Y HA 0.487 5.037 4.550 -0.000 0.000 0.343 262 Y C -0.127 175.741 175.900 -0.053 0.000 0.973 262 Y CA -0.684 57.386 58.100 -0.049 0.000 1.064 262 Y CB 1.757 40.178 38.460 -0.065 0.000 1.207 262 Y HN 0.271 nan 8.280 nan 0.000 0.452 263 L N 5.351 126.630 121.223 0.093 0.000 2.298 263 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 263 L C -0.920 175.982 176.870 0.053 0.000 1.013 263 L CA -0.614 54.255 54.840 0.048 0.000 0.824 263 L CB 0.811 42.882 42.059 0.020 0.000 1.221 263 L HN 0.456 nan 8.230 nan 0.000 0.418 264 I N 2.327 122.917 120.570 0.035 0.000 2.437 264 I HA 0.400 4.570 4.170 -0.000 0.000 0.298 264 I C 0.948 177.078 176.117 0.022 0.000 0.984 264 I CA -0.203 61.113 61.300 0.026 0.000 1.214 264 I CB 1.525 39.524 38.000 -0.002 0.000 1.365 264 I HN 0.537 nan 8.210 nan 0.000 0.469 265 G N 3.333 112.150 108.800 0.028 0.000 2.599 265 G HA2 0.154 4.114 3.960 -0.000 0.000 0.264 265 G HA3 0.154 4.114 3.960 -0.000 0.000 0.264 265 G C 0.412 175.367 174.900 0.092 0.000 1.200 265 G CA -0.326 44.808 45.100 0.058 0.000 0.896 265 G HN 0.600 nan 8.290 nan 0.000 0.536 266 F N 0.447 120.382 119.950 -0.025 0.000 2.307 266 F HA -0.107 4.420 4.527 -0.000 0.000 0.301 266 F C 2.064 177.802 175.800 -0.103 0.000 1.076 266 F CA 1.819 59.744 58.000 -0.124 0.000 1.383 266 F CB 0.299 39.107 39.000 -0.320 0.000 1.055 266 F HN 0.426 nan 8.300 nan 0.000 0.526 267 D N -1.130 119.321 120.400 0.085 0.000 2.342 267 D HA 0.177 4.817 4.640 -0.000 0.000 0.221 267 D C 1.792 178.095 176.300 0.005 0.000 1.101 267 D CA 0.657 54.697 54.000 0.067 0.000 0.837 267 D CB -0.378 40.600 40.800 0.298 0.000 0.938 267 D HN 0.353 nan 8.370 nan 0.000 0.508 268 G N 0.319 109.099 108.800 -0.034 0.000 2.205 268 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.261 268 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.261 268 G C 0.570 175.467 174.900 -0.005 0.000 0.980 268 G CA 0.642 45.719 45.100 -0.038 0.000 0.632 268 G HN 0.825 nan 8.290 nan 0.000 0.533 269 T N -0.667 113.906 114.554 0.031 0.000 2.899 269 T HA 0.546 4.896 4.350 -0.000 0.000 0.295 269 T C 0.409 175.134 174.700 0.043 0.000 1.033 269 T CA 0.589 62.714 62.100 0.041 0.000 1.084 269 T CB 1.539 70.447 68.868 0.066 0.000 0.979 269 T HN 0.364 nan 8.240 nan 0.000 0.532 270 T N 2.604 117.195 114.554 0.061 0.000 2.794 270 T HA 0.318 4.668 4.350 -0.000 0.000 0.296 270 T C 1.311 176.045 174.700 0.057 0.000 0.949 270 T CA -0.742 61.415 62.100 0.096 0.000 1.101 270 T CB 1.054 70.029 68.868 0.178 0.000 0.905 270 T HN 0.548 nan 8.240 nan 0.000 0.516 271 V N 3.549 123.485 119.914 0.037 0.000 2.581 271 V HA 0.330 4.450 4.120 -0.000 0.000 0.240 271 V C 0.592 176.682 176.094 -0.007 0.000 1.054 271 V CA 0.682 62.982 62.300 -0.000 0.000 1.076 271 V CB 0.012 31.820 31.823 -0.024 0.000 0.748 271 V HN 0.715 nan 8.190 nan 0.000 0.474 272 I N 0.277 120.843 120.570 -0.006 0.000 2.647 272 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 272 I C -0.483 175.582 176.117 -0.088 0.000 1.078 272 I CA -0.159 61.120 61.300 -0.036 0.000 1.048 272 I CB 2.478 40.462 38.000 -0.026 0.000 1.239 272 I HN 0.211 nan 8.210 nan 0.000 0.421 273 T N 2.881 117.341 114.554 -0.157 0.000 2.861 273 T HA 0.692 5.042 4.350 -0.000 0.000 0.287 273 T C -0.655 173.904 174.700 -0.235 0.000 1.003 273 T CA -0.886 61.008 62.100 -0.343 0.000 0.977 273 T CB 1.833 70.392 68.868 -0.515 0.000 0.996 273 T HN 0.341 nan 8.240 nan 0.000 0.448 274 R N 1.696 122.058 120.500 -0.230 0.000 2.575 274 R HA 0.736 5.076 4.340 -0.000 0.000 0.293 274 R C -0.405 175.810 176.300 -0.141 0.000 0.983 274 R CA -0.763 55.255 56.100 -0.136 0.000 0.887 274 R CB 1.833 32.096 30.300 -0.062 0.000 1.184 274 R HN 0.997 nan 8.270 nan 0.000 0.445 275 A N 2.291 125.036 122.820 -0.123 0.000 2.409 275 A HA 0.356 4.676 4.320 -0.000 0.000 0.262 275 A C 0.780 178.283 177.584 -0.136 0.000 1.113 275 A CA -0.279 51.687 52.037 -0.120 0.000 0.790 275 A CB 0.507 19.446 19.000 -0.102 0.000 1.046 275 A HN 0.484 nan 8.150 nan 0.000 0.496 276 V N 1.354 121.161 119.914 -0.178 0.000 3.307 276 V HA 0.420 4.540 4.120 -0.000 0.000 0.244 276 V C 0.975 176.883 176.094 -0.310 0.000 1.196 276 V CA 1.276 63.386 62.300 -0.318 0.000 1.132 276 V CB -0.217 31.309 31.823 -0.495 0.000 0.875 276 V HN 1.135 nan 8.190 nan 0.000 0.468 277 A N -0.649 122.035 122.820 -0.227 0.000 2.520 277 A HA 0.785 5.105 4.320 -0.000 0.000 0.298 277 A C -0.734 176.763 177.584 -0.145 0.000 1.051 277 A CA -0.262 51.652 52.037 -0.205 0.000 0.690 277 A CB 2.059 20.909 19.000 -0.251 0.000 1.281 277 A HN 0.031 nan 8.150 nan 0.000 0.402 278 S N 1.272 116.897 115.700 -0.124 0.000 2.779 278 S HA 0.506 4.976 4.470 -0.000 0.000 0.293 278 S C -0.593 173.958 174.600 -0.082 0.000 1.150 278 S CA 0.044 58.191 58.200 -0.089 0.000 1.057 278 S CB 0.514 63.670 63.200 -0.072 0.000 1.021 278 S HN 1.064 nan 8.310 nan 0.000 0.485 279 D N 2.702 123.058 120.400 -0.073 0.000 2.708 279 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 279 D C -0.367 175.882 176.300 -0.085 0.000 1.146 279 D CA 0.710 54.673 54.000 -0.062 0.000 0.662 279 D CB -0.747 40.028 40.800 -0.041 0.000 1.059 279 D HN 0.492 nan 8.370 nan 0.000 0.428 280 N N 0.354 118.977 118.700 -0.129 0.000 2.405 280 N HA 0.322 5.062 4.740 -0.000 0.000 0.260 280 N C 0.305 175.723 175.510 -0.153 0.000 1.152 280 N CA 0.633 53.589 53.050 -0.158 0.000 0.948 280 N CB 0.591 38.937 38.487 -0.235 0.000 1.111 280 N HN 0.306 nan 8.380 nan 0.000 0.485 281 G N 3.188 111.925 108.800 -0.105 0.000 2.415 281 G HA2 0.420 4.380 3.960 -0.000 0.000 0.269 281 G HA3 0.420 4.380 3.960 -0.000 0.000 0.269 281 G C -0.047 174.800 174.900 -0.088 0.000 1.209 281 G CA -0.498 44.554 45.100 -0.080 0.000 0.835 281 G HN 0.595 nan 8.290 nan 0.000 0.534 282 L N 1.861 123.046 121.223 -0.064 0.000 2.272 282 L HA 0.301 4.641 4.340 -0.000 0.000 0.289 282 L C 0.391 177.258 176.870 -0.005 0.000 1.032 282 L CA -0.557 54.262 54.840 -0.036 0.000 0.810 282 L CB 1.582 43.636 42.059 -0.008 0.000 1.205 282 L HN 0.367 nan 8.230 nan 0.000 0.422 283 T N 1.457 116.005 114.554 -0.010 0.000 2.817 283 T HA 0.121 4.470 4.350 -0.000 0.000 0.293 283 T C 0.392 175.081 174.700 -0.018 0.000 0.964 283 T CA -0.107 61.971 62.100 -0.036 0.000 1.085 283 T CB 1.284 70.132 68.868 -0.033 0.000 0.921 283 T HN 0.535 nan 8.240 nan 0.000 0.502 284 T N 2.069 116.578 114.554 -0.076 0.000 2.856 284 T HA 0.403 4.753 4.350 -0.000 0.000 0.306 284 T C 1.401 176.081 174.700 -0.033 0.000 1.062 284 T CA 0.899 62.982 62.100 -0.029 0.000 1.083 284 T CB -0.025 68.819 68.868 -0.039 0.000 0.984 284 T HN 0.985 nan 8.240 nan 0.000 0.542 285 G N 2.228 111.009 108.800 -0.032 0.000 2.341 285 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.292 285 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.292 285 G C -0.135 174.716 174.900 -0.082 0.000 1.021 285 G CA 0.645 45.700 45.100 -0.076 0.000 0.905 285 G HN 0.696 nan 8.290 nan 0.000 0.508 286 I N -0.889 119.646 120.570 -0.060 0.000 3.006 286 I HA 0.380 4.550 4.170 -0.000 0.000 0.306 286 I C -1.060 175.149 176.117 0.153 0.000 1.250 286 I CA -1.490 59.819 61.300 0.016 0.000 0.996 286 I CB 1.894 39.909 38.000 0.026 0.000 1.261 286 I HN -0.014 nan 8.210 nan 0.000 0.442 287 D N 3.752 124.291 120.400 0.232 0.000 2.339 287 D HA 0.188 4.828 4.640 -0.000 0.000 0.256 287 D C -0.722 175.694 176.300 0.193 0.000 1.214 287 D CA 0.124 54.324 54.000 0.333 0.000 0.877 287 D CB 0.270 41.197 40.800 0.211 0.000 1.111 287 D HN 0.338 nan 8.370 nan 0.000 0.478 288 N N 1.888 120.716 118.700 0.214 0.000 2.422 288 N HA 0.261 5.001 4.740 -0.000 0.000 0.266 288 N C -0.421 175.169 175.510 0.134 0.000 1.007 288 N CA -0.384 52.745 53.050 0.132 0.000 0.941 288 N CB 1.324 39.878 38.487 0.112 0.000 1.115 288 N HN 0.202 nan 8.380 nan 0.000 0.492 289 L N 2.068 123.337 121.223 0.077 0.000 2.289 289 L HA 0.473 4.813 4.340 -0.000 0.000 0.285 289 L C -0.045 176.854 176.870 0.049 0.000 1.049 289 L CA -0.325 54.563 54.840 0.081 0.000 0.804 289 L CB 1.108 43.200 42.059 0.055 0.000 1.195 289 L HN 0.463 nan 8.230 nan 0.000 0.428 290 M N 6.894 126.557 119.600 0.106 0.000 2.016 290 M HA 0.394 4.874 4.480 -0.000 0.000 0.315 290 M C -2.609 173.723 176.300 0.053 0.000 0.930 290 M CA -1.614 53.700 55.300 0.025 0.000 0.899 290 M CB 1.677 34.317 32.600 0.067 0.000 1.401 290 M HN 0.220 nan 8.290 nan 0.000 0.386 291 P HA 0.334 nan 4.420 nan 0.000 0.279 291 P C -1.400 175.867 177.300 -0.056 0.000 1.252 291 P CA -0.154 62.995 63.100 0.082 0.000 0.811 291 P CB 0.863 32.592 31.700 0.048 0.000 1.035 292 F N 1.057 121.024 119.950 0.027 0.000 2.449 292 F HA 0.375 4.902 4.527 -0.000 0.000 0.342 292 F C 0.959 176.773 175.800 0.024 0.000 1.127 292 F CA -0.266 57.751 58.000 0.027 0.000 0.975 292 F CB 1.249 40.274 39.000 0.041 0.000 1.146 292 F HN 0.152 nan 8.300 nan 0.000 0.444 293 N N 5.395 124.171 118.700 0.126 0.000 2.723 293 N HA 0.267 5.007 4.740 -0.000 0.000 0.290 293 N C -1.343 174.213 175.510 0.077 0.000 1.882 293 N CA -0.068 53.036 53.050 0.090 0.000 0.851 293 N CB 1.169 39.681 38.487 0.041 0.000 1.234 293 N HN 0.420 nan 8.380 nan 0.000 0.491 294 L N 0.680 121.970 121.223 0.112 0.000 2.309 294 L HA 0.636 4.976 4.340 -0.000 0.000 0.282 294 L C -0.059 176.863 176.870 0.086 0.000 1.036 294 L CA -0.982 53.910 54.840 0.087 0.000 0.806 294 L CB 2.000 44.124 42.059 0.108 0.000 1.220 294 L HN -0.204 nan 8.230 nan 0.000 0.429 295 V N 4.555 124.510 119.914 0.068 0.000 2.443 295 V HA 0.399 4.519 4.120 -0.000 0.000 0.293 295 V C -0.163 175.968 176.094 0.063 0.000 1.021 295 V CA -0.378 61.971 62.300 0.081 0.000 0.848 295 V CB 2.226 34.091 31.823 0.070 0.000 0.998 295 V HN 0.449 nan 8.190 nan 0.000 0.424 296 I N 7.739 128.353 120.570 0.073 0.000 2.328 296 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 296 I C -2.226 173.926 176.117 0.059 0.000 1.012 296 I CA -2.390 58.941 61.300 0.050 0.000 1.195 296 I CB 1.754 39.778 38.000 0.041 0.000 1.350 296 I HN 0.380 nan 8.210 nan 0.000 0.464 297 P HA 0.178 nan 4.420 nan 0.000 0.278 297 P C 0.688 178.005 177.300 0.028 0.000 1.238 297 P CA -0.135 62.985 63.100 0.035 0.000 0.794 297 P CB 1.215 32.925 31.700 0.018 0.000 0.955 298 T N 1.293 115.865 114.554 0.030 0.000 2.685 298 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 298 T C 1.635 176.338 174.700 0.006 0.000 1.034 298 T CA 2.109 64.221 62.100 0.020 0.000 1.149 298 T CB -0.939 67.943 68.868 0.024 0.000 0.860 298 T HN 0.641 nan 8.240 nan 0.000 0.449 299 N N 1.511 120.215 118.700 0.006 0.000 2.519 299 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 299 N C 1.298 176.808 175.510 0.000 0.000 1.062 299 N CA 0.974 54.026 53.050 0.004 0.000 0.910 299 N CB -0.168 38.322 38.487 0.005 0.000 0.958 299 N HN 0.538 nan 8.380 nan 0.000 0.445 300 E N 0.159 120.359 120.200 -0.001 0.000 2.385 300 E HA 0.182 4.532 4.350 -0.000 0.000 0.194 300 E C 0.199 176.790 176.600 -0.016 0.000 1.013 300 E CA -0.006 56.390 56.400 -0.006 0.000 0.866 300 E CB 0.415 30.112 29.700 -0.005 0.000 0.832 300 E HN 0.432 nan 8.360 nan 0.000 0.500 301 I N 2.596 123.154 120.570 -0.020 0.000 2.329 301 I HA -0.022 4.148 4.170 -0.000 0.000 0.295 301 I C 1.386 177.465 176.117 -0.062 0.000 1.109 301 I CA -0.003 61.273 61.300 -0.040 0.000 1.297 301 I CB 0.958 38.936 38.000 -0.037 0.000 1.433 301 I HN 0.028 nan 8.210 nan 0.000 0.509 302 T N 1.756 116.258 114.554 -0.086 0.000 3.081 302 T HA 0.049 4.399 4.350 -0.000 0.000 0.255 302 T C 0.440 174.967 174.700 -0.288 0.000 1.113 302 T CA 0.103 62.136 62.100 -0.111 0.000 1.082 302 T CB -0.010 68.819 68.868 -0.066 0.000 0.939 302 T HN 0.722 nan 8.240 nan 0.000 0.506 303 Q N -0.405 119.181 119.800 -0.355 0.000 2.578 303 Q HA 0.526 4.866 4.340 -0.000 0.000 0.284 303 Q C -3.500 172.366 176.000 -0.224 0.000 0.960 303 Q CA -2.366 53.101 55.803 -0.560 0.000 0.809 303 Q CB 0.797 28.817 28.738 -1.197 0.000 1.462 303 Q HN -0.115 nan 8.270 nan 0.000 0.392 304 P HA 0.004 nan 4.420 nan 0.000 0.262 304 P C -0.688 176.629 177.300 0.029 0.000 1.182 304 P CA 0.154 63.256 63.100 0.003 0.000 0.761 304 P CB 0.270 32.049 31.700 0.130 0.000 0.795 305 I N 3.289 123.870 120.570 0.018 0.000 2.395 305 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 305 I C 1.490 177.641 176.117 0.057 0.000 1.023 305 I CA 0.332 61.649 61.300 0.029 0.000 1.350 305 I CB 0.597 38.605 38.000 0.013 0.000 1.409 305 I HN 0.422 nan 8.210 nan 0.000 0.507 306 T N 0.155 114.746 114.554 0.061 0.000 3.043 306 T HA 0.258 4.608 4.350 -0.000 0.000 0.272 306 T C 0.386 175.090 174.700 0.007 0.000 0.990 306 T CA -0.059 62.080 62.100 0.064 0.000 0.897 306 T CB 0.098 69.044 68.868 0.130 0.000 1.111 306 T HN 0.627 nan 8.240 nan 0.000 0.529 307 S N 0.397 116.089 115.700 -0.013 0.000 2.588 307 S HA 0.740 5.210 4.470 -0.000 0.000 0.269 307 S C -1.568 173.011 174.600 -0.035 0.000 1.157 307 S CA -1.053 57.124 58.200 -0.038 0.000 0.824 307 S CB 1.812 64.988 63.200 -0.040 0.000 1.126 307 S HN 0.501 nan 8.310 nan 0.000 0.464 308 I N 1.102 121.646 120.570 -0.044 0.000 2.619 308 I HA 0.699 4.869 4.170 -0.000 0.000 0.292 308 I C -1.665 174.345 176.117 -0.179 0.000 1.100 308 I CA -0.667 60.604 61.300 -0.047 0.000 1.043 308 I CB 1.840 39.842 38.000 0.004 0.000 1.239 308 I HN 1.008 nan 8.210 nan 0.000 0.420 309 K N 6.318 126.570 120.400 -0.246 0.000 2.469 309 K HA 0.562 4.882 4.320 -0.000 0.000 0.254 309 K C -2.052 174.301 176.600 -0.412 0.000 0.939 309 K CA -0.965 55.022 56.287 -0.500 0.000 0.812 309 K CB 2.509 34.822 32.500 -0.312 0.000 1.301 309 K HN 0.441 nan 8.250 nan 0.000 0.433 310 L N 1.669 122.507 121.223 -0.641 0.000 2.294 310 L HA 0.369 4.709 4.340 -0.000 0.000 0.283 310 L C -0.675 176.147 176.870 -0.081 0.000 1.015 310 L CA -0.121 54.586 54.840 -0.221 0.000 0.831 310 L CB 1.205 43.191 42.059 -0.122 0.000 1.217 310 L HN 0.805 nan 8.230 nan 0.000 0.420 311 E N 4.737 124.970 120.200 0.054 0.000 2.216 311 E HA 0.484 4.834 4.350 -0.000 0.000 0.279 311 E C -1.139 175.515 176.600 0.091 0.000 0.997 311 E CA -0.437 55.998 56.400 0.058 0.000 0.817 311 E CB 1.325 31.095 29.700 0.117 0.000 1.096 311 E HN 0.574 nan 8.360 nan 0.000 0.393 312 I N 3.729 124.350 120.570 0.084 0.000 2.466 312 I HA 0.233 4.402 4.170 -0.000 0.000 0.289 312 I C -0.959 175.207 176.117 0.083 0.000 1.026 312 I CA -0.915 60.434 61.300 0.080 0.000 1.078 312 I CB 2.033 40.103 38.000 0.116 0.000 1.249 312 I HN 0.218 nan 8.210 nan 0.000 0.429 313 V N 4.743 124.695 119.914 0.063 0.000 2.357 313 V HA 0.391 4.511 4.120 -0.000 0.000 0.284 313 V C 0.038 176.206 176.094 0.123 0.000 1.018 313 V CA -0.513 61.842 62.300 0.092 0.000 0.841 313 V CB 1.361 33.226 31.823 0.070 0.000 0.991 313 V HN 0.707 nan 8.190 nan 0.000 0.437 314 T N 3.466 118.156 114.554 0.227 0.000 2.799 314 T HA 0.606 4.956 4.350 -0.000 0.000 0.286 314 T C -0.017 174.894 174.700 0.353 0.000 0.973 314 T CA -0.434 61.868 62.100 0.337 0.000 1.035 314 T CB 1.259 70.500 68.868 0.622 0.000 0.932 314 T HN 0.646 nan 8.240 nan 0.000 0.469 315 S N 2.062 117.945 115.700 0.306 0.000 2.541 315 S HA 0.521 4.991 4.470 -0.000 0.000 0.280 315 S C -0.637 174.069 174.600 0.177 0.000 1.112 315 S CA -0.986 57.425 58.200 0.352 0.000 0.925 315 S CB 2.211 65.579 63.200 0.279 0.000 1.067 315 S HN 0.625 nan 8.310 nan 0.000 0.479 316 K N 0.702 121.115 120.400 0.022 0.000 2.118 316 K HA 0.420 4.740 4.320 -0.000 0.000 0.254 316 K C 1.167 177.687 176.600 -0.133 0.000 0.961 316 K CA -0.539 55.714 56.287 -0.057 0.000 0.876 316 K CB 0.893 33.322 32.500 -0.119 0.000 1.077 316 K HN 0.685 nan 8.250 nan 0.000 0.440 317 S N 1.049 116.706 115.700 -0.072 0.000 2.423 317 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 317 S C 1.786 176.326 174.600 -0.100 0.000 1.014 317 S CA 0.857 59.018 58.200 -0.064 0.000 0.965 317 S CB -0.387 62.799 63.200 -0.023 0.000 0.785 317 S HN 0.824 nan 8.310 nan 0.000 0.495 318 G N 2.011 110.727 108.800 -0.140 0.000 2.552 318 G HA2 0.265 4.225 3.960 -0.000 0.000 0.216 318 G HA3 0.265 4.225 3.960 -0.000 0.000 0.216 318 G C 1.114 175.921 174.900 -0.155 0.000 1.240 318 G CA 0.799 45.819 45.100 -0.134 0.000 0.796 318 G HN 1.634 nan 8.290 nan 0.000 0.568 319 G N -1.829 106.781 108.800 -0.317 0.000 2.155 319 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.135 319 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.135 319 G C -0.001 174.860 174.900 -0.065 0.000 1.023 319 G CA 0.349 45.324 45.100 -0.209 0.000 0.688 319 G HN 0.634 nan 8.290 nan 0.000 0.499 320 Q N 1.188 120.888 119.800 -0.167 0.000 2.389 320 Q HA 0.700 5.040 4.340 -0.000 0.000 0.244 320 Q C 0.719 176.843 176.000 0.207 0.000 1.056 320 Q CA 0.468 56.284 55.803 0.021 0.000 0.908 320 Q CB 0.494 29.220 28.738 -0.020 0.000 1.273 320 Q HN 1.143 nan 8.270 nan 0.000 0.471 321 A N 2.910 125.886 122.820 0.261 0.000 2.573 321 A HA 0.382 4.702 4.320 -0.000 0.000 0.250 321 A C 1.302 178.981 177.584 0.159 0.000 1.049 321 A CA 0.986 53.166 52.037 0.239 0.000 0.767 321 A CB -0.671 18.402 19.000 0.122 0.000 0.965 321 A HN 1.345 nan 8.150 nan 0.000 0.514 322 G N 1.953 110.852 108.800 0.166 0.000 2.194 322 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.236 322 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.236 322 G C 0.078 175.035 174.900 0.096 0.000 0.987 322 G CA 0.314 45.472 45.100 0.097 0.000 0.635 322 G HN 1.001 nan 8.290 nan 0.000 0.520 323 D N 1.975 122.458 120.400 0.139 0.000 2.401 323 D HA 0.461 5.101 4.640 -0.000 0.000 0.254 323 D C 1.127 177.476 176.300 0.083 0.000 1.192 323 D CA -0.050 53.996 54.000 0.076 0.000 0.885 323 D CB 0.460 41.269 40.800 0.014 0.000 1.147 323 D HN 0.518 nan 8.370 nan 0.000 0.478 324 Q N 2.743 122.561 119.800 0.030 0.000 2.315 324 Q HA 0.242 4.582 4.340 -0.000 0.000 0.289 324 Q C -0.183 175.836 176.000 0.032 0.000 1.044 324 Q CA 0.718 56.521 55.803 0.001 0.000 0.920 324 Q CB 0.377 29.097 28.738 -0.030 0.000 1.214 324 Q HN 0.414 nan 8.270 nan 0.000 0.392 325 M N 1.423 121.034 119.600 0.018 0.000 2.395 325 M HA 0.635 5.115 4.480 -0.000 0.000 0.307 325 M C -0.836 175.463 176.300 -0.002 0.000 1.091 325 M CA -0.746 54.616 55.300 0.103 0.000 0.919 325 M CB 2.398 35.153 32.600 0.258 0.000 1.662 325 M HN 0.832 nan 8.290 nan 0.000 0.440 326 S N 2.684 118.452 115.700 0.113 0.000 2.537 326 S HA 0.885 5.355 4.470 -0.000 0.000 0.270 326 S C -2.029 172.755 174.600 0.307 0.000 1.142 326 S CA -0.691 57.535 58.200 0.043 0.000 0.870 326 S CB 2.153 65.336 63.200 -0.029 0.000 1.112 326 S HN 0.987 nan 8.310 nan 0.000 0.466 327 W N -0.158 121.320 121.300 0.296 0.000 3.161 327 W HA 0.676 5.336 4.660 -0.000 0.000 0.314 327 W C -1.683 174.969 176.519 0.222 0.000 1.245 327 W CA -0.732 56.786 57.345 0.290 0.000 1.191 327 W CB 0.924 30.622 29.460 0.396 0.000 1.392 327 W HN 0.734 nan 8.180 nan 0.000 0.568 328 S N 0.808 116.856 115.700 0.579 0.000 2.482 328 S HA 0.848 5.318 4.470 -0.000 0.000 0.303 328 S C -0.660 174.113 174.600 0.288 0.000 1.091 328 S CA -0.217 58.207 58.200 0.372 0.000 1.057 328 S CB 1.356 64.694 63.200 0.231 0.000 1.031 328 S HN 0.792 nan 8.310 nan 0.000 0.485 329 A N 2.642 125.575 122.820 0.188 0.000 2.454 329 A HA 0.904 5.224 4.320 -0.000 0.000 0.302 329 A C -0.769 176.754 177.584 -0.103 0.000 1.079 329 A CA -0.583 51.343 52.037 -0.185 0.000 0.731 329 A CB 1.831 20.534 19.000 -0.495 0.000 1.299 329 A HN 0.668 nan 8.150 nan 0.000 0.413 330 S N -1.067 114.507 115.700 -0.209 0.000 2.541 330 S HA 0.922 5.392 4.470 -0.000 0.000 0.271 330 S C -0.334 174.186 174.600 -0.134 0.000 1.133 330 S CA 0.028 58.156 58.200 -0.121 0.000 0.876 330 S CB 2.103 65.244 63.200 -0.098 0.000 1.105 330 S HN 2.229 nan 8.310 nan 0.000 0.470 331 G N 0.917 109.657 108.800 -0.100 0.000 2.358 331 G HA2 0.462 4.422 3.960 -0.000 0.000 0.301 331 G HA3 0.462 4.422 3.960 -0.000 0.000 0.301 331 G C -1.714 173.114 174.900 -0.119 0.000 1.539 331 G CA -0.632 44.414 45.100 -0.090 0.000 0.893 331 G HN 0.690 nan 8.290 nan 0.000 0.636 332 S N -0.342 115.288 115.700 -0.116 0.000 2.536 332 S HA 0.812 5.282 4.470 -0.000 0.000 0.287 332 S C -0.328 174.164 174.600 -0.180 0.000 1.101 332 S CA -0.723 57.383 58.200 -0.155 0.000 0.950 332 S CB 1.593 64.727 63.200 -0.110 0.000 1.056 332 S HN 0.654 nan 8.310 nan 0.000 0.481 333 L N 1.548 122.626 121.223 -0.242 0.000 2.319 333 L HA 0.907 5.247 4.340 -0.000 0.000 0.267 333 L C -0.256 176.526 176.870 -0.147 0.000 1.011 333 L CA -1.091 53.591 54.840 -0.262 0.000 0.818 333 L CB 1.722 43.531 42.059 -0.416 0.000 1.316 333 L HN 0.741 nan 8.230 nan 0.000 0.432 334 A N 1.770 124.537 122.820 -0.088 0.000 2.311 334 A HA 0.687 5.007 4.320 -0.000 0.000 0.306 334 A C -0.829 176.756 177.584 0.001 0.000 1.189 334 A CA -0.456 51.563 52.037 -0.030 0.000 0.791 334 A CB 1.320 20.309 19.000 -0.018 0.000 1.172 334 A HN 0.364 nan 8.150 nan 0.000 0.481 335 V N 2.916 122.859 119.914 0.049 0.000 2.350 335 V HA 0.410 4.530 4.120 -0.000 0.000 0.276 335 V C 0.204 176.337 176.094 0.065 0.000 1.028 335 V CA -0.111 62.238 62.300 0.082 0.000 0.860 335 V CB 1.278 33.194 31.823 0.155 0.000 0.990 335 V HN 0.873 nan 8.190 nan 0.000 0.453 336 T N 6.690 121.228 114.554 -0.027 0.000 2.756 336 T HA 0.509 4.859 4.350 -0.000 0.000 0.290 336 T C -0.177 174.369 174.700 -0.257 0.000 0.985 336 T CA -0.276 61.746 62.100 -0.130 0.000 0.955 336 T CB 0.619 69.393 68.868 -0.157 0.000 0.930 336 T HN 0.288 nan 8.240 nan 0.000 0.451 337 I N 4.553 125.022 120.570 -0.168 0.000 2.297 337 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 337 I C 0.669 176.686 176.117 -0.166 0.000 1.033 337 I CA -0.905 60.314 61.300 -0.136 0.000 1.253 337 I CB 0.113 38.119 38.000 0.009 0.000 1.396 337 I HN 0.568 nan 8.210 nan 0.000 0.476 338 H N 5.354 124.450 119.070 0.043 0.000 3.107 338 H HA 0.077 4.633 4.556 -0.000 0.000 0.301 338 H C 1.476 176.822 175.328 0.032 0.000 0.981 338 H CA 1.012 57.079 56.048 0.032 0.000 1.443 338 H CB 0.419 30.197 29.762 0.026 0.000 1.479 338 H HN 0.943 nan 8.280 nan 0.000 0.564 339 G N 2.844 111.723 108.800 0.130 0.000 2.175 339 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.265 339 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.265 339 G C 1.589 176.546 174.900 0.095 0.000 0.979 339 G CA 0.769 45.927 45.100 0.096 0.000 0.663 339 G HN 0.854 nan 8.290 nan 0.000 0.533 340 G N 0.206 109.045 108.800 0.065 0.000 2.450 340 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 340 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 340 G C 1.284 176.214 174.900 0.050 0.000 1.130 340 G CA 1.322 46.455 45.100 0.055 0.000 0.760 340 G HN 0.520 nan 8.290 nan 0.000 0.557 341 N N -0.799 117.922 118.700 0.035 0.000 2.322 341 N HA 0.065 4.805 4.740 -0.000 0.000 0.194 341 N C -0.370 175.167 175.510 0.045 0.000 1.126 341 N CA -0.452 52.605 53.050 0.013 0.000 0.845 341 N CB -0.086 38.382 38.487 -0.031 0.000 0.976 341 N HN 0.446 nan 8.380 nan 0.000 0.475 342 Y N 2.576 122.860 120.300 -0.026 0.000 2.496 342 Y HA 0.177 4.727 4.550 -0.000 0.000 0.334 342 Y C -2.113 173.763 175.900 -0.040 0.000 1.080 342 Y CA -2.025 56.055 58.100 -0.034 0.000 1.355 342 Y CB 0.558 38.993 38.460 -0.043 0.000 1.193 342 Y HN -0.010 nan 8.280 nan 0.000 0.523 343 P HA 0.048 nan 4.420 nan 0.000 0.256 343 P C 0.466 177.707 177.300 -0.098 0.000 1.173 343 P CA 2.129 65.084 63.100 -0.242 0.000 0.768 343 P CB 0.277 31.775 31.700 -0.337 0.000 0.758 344 G N 3.145 111.969 108.800 0.041 0.000 2.238 344 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.217 344 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.217 344 G C 1.101 176.121 174.900 0.200 0.000 0.996 344 G CA 0.281 45.458 45.100 0.127 0.000 0.632 344 G HN 0.618 nan 8.290 nan 0.000 0.503 345 A N -0.324 122.609 122.820 0.188 0.000 1.930 345 A HA 0.611 4.931 4.320 -0.000 0.000 0.215 345 A C 2.218 179.940 177.584 0.230 0.000 1.176 345 A CA 1.891 54.032 52.037 0.175 0.000 0.632 345 A CB -0.162 18.915 19.000 0.128 0.000 0.819 345 A HN 0.800 nan 8.150 nan 0.000 0.445 346 L N -2.078 119.252 121.223 0.177 0.000 2.806 346 L HA 0.219 4.559 4.340 -0.000 0.000 0.242 346 L C 0.770 177.766 176.870 0.211 0.000 1.068 346 L CA -0.080 54.859 54.840 0.164 0.000 0.923 346 L CB 0.297 42.432 42.059 0.126 0.000 1.364 346 L HN 0.419 nan 8.230 nan 0.000 0.511 347 R N 0.796 121.386 120.500 0.151 0.000 2.803 347 R HA 0.587 4.927 4.340 -0.000 0.000 0.276 347 R C -2.946 173.410 176.300 0.092 0.000 0.978 347 R CA -1.725 54.440 56.100 0.108 0.000 0.939 347 R CB 1.554 31.860 30.300 0.010 0.000 1.179 347 R HN -0.272 nan 8.270 nan 0.000 0.472 348 P HA 0.271 nan 4.420 nan 0.000 0.297 348 P C -0.887 176.510 177.300 0.162 0.000 1.307 348 P CA -0.609 62.528 63.100 0.061 0.000 0.773 348 P CB 1.135 32.835 31.700 0.001 0.000 1.265 349 V N -0.616 119.399 119.914 0.169 0.000 2.709 349 V HA 0.373 4.493 4.120 -0.000 0.000 0.308 349 V C -0.186 175.984 176.094 0.127 0.000 1.062 349 V CA -0.291 62.109 62.300 0.166 0.000 0.901 349 V CB 2.134 34.083 31.823 0.209 0.000 1.003 349 V HN 0.535 nan 8.190 nan 0.000 0.425 350 T N 6.006 120.609 114.554 0.082 0.000 2.786 350 T HA 0.664 5.014 4.350 -0.000 0.000 0.283 350 T C -0.576 174.175 174.700 0.084 0.000 0.992 350 T CA -0.227 61.932 62.100 0.098 0.000 0.954 350 T CB 0.768 69.701 68.868 0.109 0.000 0.934 350 T HN 0.327 nan 8.240 nan 0.000 0.440 351 L N 3.438 124.680 121.223 0.030 0.000 2.307 351 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 351 L C -0.456 176.426 176.870 0.020 0.000 1.023 351 L CA -0.906 53.913 54.840 -0.036 0.000 0.810 351 L CB 1.687 43.687 42.059 -0.099 0.000 1.231 351 L HN 0.317 nan 8.230 nan 0.000 0.423 352 V N 2.982 122.916 119.914 0.034 0.000 2.349 352 V HA 0.656 4.776 4.120 -0.000 0.000 0.284 352 V C 0.054 176.202 176.094 0.091 0.000 1.014 352 V CA -0.469 61.891 62.300 0.100 0.000 0.826 352 V CB 1.430 33.384 31.823 0.218 0.000 1.009 352 V HN 0.836 nan 8.190 nan 0.000 0.431 353 A N 5.552 128.413 122.820 0.069 0.000 2.312 353 A HA 0.940 5.260 4.320 -0.000 0.000 0.326 353 A C -0.989 176.772 177.584 0.296 0.000 1.172 353 A CA -0.451 51.642 52.037 0.093 0.000 0.821 353 A CB 0.962 19.994 19.000 0.054 0.000 1.166 353 A HN 1.034 nan 8.150 nan 0.000 0.493 354 Y N -0.323 120.176 120.300 0.331 0.000 2.512 354 Y HA 0.766 5.316 4.550 -0.000 0.000 0.348 354 Y C -0.490 175.505 175.900 0.158 0.000 0.990 354 Y CA -1.139 57.136 58.100 0.292 0.000 1.033 354 Y CB 1.272 39.834 38.460 0.171 0.000 1.259 354 Y HN 0.862 nan 8.280 nan 0.000 0.461 355 E N 0.682 120.947 120.200 0.109 0.000 2.413 355 E HA 0.704 5.054 4.350 -0.000 0.000 0.277 355 E C -0.813 175.760 176.600 -0.045 0.000 0.958 355 E CA -1.468 54.871 56.400 -0.102 0.000 0.779 355 E CB 1.809 31.206 29.700 -0.504 0.000 1.278 355 E HN 0.574 nan 8.360 nan 0.000 0.456 356 R N -0.727 119.758 120.500 -0.025 0.000 3.776 356 R HA -0.096 4.244 4.340 -0.000 0.000 0.312 356 R C -0.997 175.324 176.300 0.034 0.000 1.181 356 R CA 0.848 56.941 56.100 -0.011 0.000 0.836 356 R CB -2.424 27.848 30.300 -0.047 0.000 1.324 356 R HN 0.420 nan 8.270 nan 0.000 0.501 357 V N 0.650 120.616 119.914 0.086 0.000 2.509 357 V HA 0.635 4.755 4.120 -0.000 0.000 0.284 357 V C 1.199 177.317 176.094 0.040 0.000 1.047 357 V CA -0.517 61.816 62.300 0.056 0.000 0.952 357 V CB 1.635 33.481 31.823 0.037 0.000 0.988 357 V HN 0.392 nan 8.190 nan 0.000 0.469 358 A N 3.906 126.735 122.820 0.016 0.000 2.567 358 A HA 0.271 4.591 4.320 -0.000 0.000 0.240 358 A C 0.809 178.403 177.584 0.017 0.000 1.053 358 A CA 0.130 52.175 52.037 0.013 0.000 0.755 358 A CB -0.406 18.596 19.000 0.004 0.000 0.978 358 A HN 0.876 nan 8.150 nan 0.000 0.507 359 T N 1.961 116.529 114.554 0.024 0.000 2.934 359 T HA 0.397 4.747 4.350 -0.000 0.000 0.306 359 T C 1.608 176.318 174.700 0.018 0.000 1.042 359 T CA 1.423 63.541 62.100 0.029 0.000 1.145 359 T CB 0.507 69.391 68.868 0.026 0.000 0.982 359 T HN 2.076 nan 8.240 nan 0.000 0.544 360 G N 2.680 111.491 108.800 0.019 0.000 2.205 360 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.261 360 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.261 360 G C 0.470 175.368 174.900 -0.004 0.000 0.980 360 G CA 0.171 45.277 45.100 0.010 0.000 0.632 360 G HN 0.809 nan 8.290 nan 0.000 0.533 361 S N -0.951 114.741 115.700 -0.014 0.000 2.596 361 S HA 0.538 5.008 4.470 -0.000 0.000 0.260 361 S C 0.425 174.994 174.600 -0.051 0.000 1.336 361 S CA 0.062 58.242 58.200 -0.033 0.000 0.993 361 S CB 2.017 65.188 63.200 -0.049 0.000 0.923 361 S HN 0.776 nan 8.310 nan 0.000 0.567 362 V N 1.924 121.802 119.914 -0.060 0.000 2.448 362 V HA 0.343 4.463 4.120 -0.000 0.000 0.295 362 V C -0.419 175.612 176.094 -0.106 0.000 1.025 362 V CA -0.658 61.600 62.300 -0.071 0.000 0.859 362 V CB 1.612 33.409 31.823 -0.043 0.000 0.988 362 V HN 0.622 nan 8.190 nan 0.000 0.431 363 V N 4.337 124.155 119.914 -0.160 0.000 2.364 363 V HA 0.338 4.457 4.120 -0.000 0.000 0.272 363 V C 0.442 176.467 176.094 -0.116 0.000 1.036 363 V CA -0.140 62.043 62.300 -0.194 0.000 0.880 363 V CB 1.631 33.232 31.823 -0.371 0.000 0.991 363 V HN 0.960 nan 8.190 nan 0.000 0.460 364 T N 5.176 119.695 114.554 -0.060 0.000 2.767 364 T HA 0.530 4.880 4.350 -0.000 0.000 0.288 364 T C -0.198 174.517 174.700 0.024 0.000 0.963 364 T CA -0.296 61.797 62.100 -0.013 0.000 1.019 364 T CB 1.433 70.296 68.868 -0.009 0.000 0.923 364 T HN 0.332 nan 8.240 nan 0.000 0.468 365 V N 2.611 122.568 119.914 0.073 0.000 2.417 365 V HA 0.822 4.942 4.120 -0.000 0.000 0.291 365 V C -0.092 176.073 176.094 0.119 0.000 1.024 365 V CA -0.821 61.558 62.300 0.132 0.000 0.861 365 V CB 1.369 33.324 31.823 0.218 0.000 0.985 365 V HN 1.078 nan 8.190 nan 0.000 0.436 366 A N 3.483 126.350 122.820 0.078 0.000 2.408 366 A HA 0.976 5.296 4.320 -0.000 0.000 0.295 366 A C -0.134 177.462 177.584 0.019 0.000 1.040 366 A CA 0.096 52.159 52.037 0.043 0.000 0.707 366 A CB 1.792 20.802 19.000 0.016 0.000 1.235 366 A HN 1.250 nan 8.150 nan 0.000 0.418 367 G N -0.376 108.440 108.800 0.026 0.000 2.645 367 G HA2 0.657 4.617 3.960 -0.000 0.000 0.292 367 G HA3 0.657 4.617 3.960 -0.000 0.000 0.292 367 G C -1.800 173.106 174.900 0.010 0.000 1.415 367 G CA -0.448 44.647 45.100 -0.008 0.000 0.785 367 G HN 1.242 nan 8.290 nan 0.000 0.483 368 V N -0.014 119.891 119.914 -0.015 0.000 2.760 368 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 368 V C -0.365 175.706 176.094 -0.038 0.000 1.077 368 V CA -0.751 61.547 62.300 -0.003 0.000 0.910 368 V CB 1.928 33.742 31.823 -0.016 0.000 1.008 368 V HN 0.776 nan 8.190 nan 0.000 0.424 369 S N 3.612 119.297 115.700 -0.025 0.000 2.500 369 S HA 0.588 5.058 4.470 -0.000 0.000 0.301 369 S C -0.716 173.677 174.600 -0.345 0.000 1.092 369 S CA -0.805 57.270 58.200 -0.209 0.000 1.030 369 S CB 1.276 64.424 63.200 -0.087 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.483 370 N N 1.796 120.175 118.700 -0.536 0.000 2.362 370 N HA 0.648 5.388 4.740 -0.000 0.000 0.298 370 N C -1.427 173.721 175.510 -0.602 0.000 1.048 370 N CA -0.217 52.617 53.050 -0.359 0.000 0.858 370 N CB 1.292 39.691 38.487 -0.147 0.000 1.218 370 N HN 0.385 nan 8.380 nan 0.000 0.488 371 F N -0.251 119.713 119.950 0.023 0.000 2.629 371 F HA 0.405 4.932 4.527 -0.000 0.000 0.316 371 F C 0.460 176.272 175.800 0.020 0.000 1.081 371 F CA -0.907 57.093 58.000 -0.000 0.000 0.954 371 F CB 1.585 40.555 39.000 -0.049 0.000 1.337 371 F HN 0.137 nan 8.300 nan 0.000 0.474 372 E N 1.895 122.223 120.200 0.212 0.000 2.166 372 E HA 0.698 5.048 4.350 -0.000 0.000 0.275 372 E C -1.308 175.426 176.600 0.224 0.000 0.941 372 E CA -0.539 55.971 56.400 0.184 0.000 0.784 372 E CB 2.007 31.628 29.700 -0.132 0.000 1.115 372 E HN 0.419 nan 8.360 nan 0.000 0.399 373 L N 3.213 124.602 121.223 0.276 0.000 2.393 373 L HA 0.584 4.924 4.340 -0.000 0.000 0.260 373 L C -0.753 176.303 176.870 0.311 0.000 1.002 373 L CA -0.822 54.127 54.840 0.181 0.000 0.818 373 L CB 2.015 43.901 42.059 -0.290 0.000 1.369 373 L HN 0.433 nan 8.230 nan 0.000 0.412 374 I N 3.326 124.107 120.570 0.351 0.000 2.418 374 I HA 0.345 4.515 4.170 -0.000 0.000 0.287 374 I C -2.220 174.129 176.117 0.387 0.000 1.008 374 I CA -1.907 59.576 61.300 0.305 0.000 1.104 374 I CB 2.178 40.317 38.000 0.233 0.000 1.264 374 I HN 0.271 nan 8.210 nan 0.000 0.438 375 P HA 0.023 nan 4.420 nan 0.000 0.269 375 P C -0.911 176.415 177.300 0.044 0.000 1.215 375 P CA -0.289 62.896 63.100 0.142 0.000 0.780 375 P CB 0.507 32.228 31.700 0.035 0.000 0.898 376 N N 2.341 120.994 118.700 -0.079 0.000 2.317 376 N HA 0.077 4.817 4.740 -0.000 0.000 0.245 376 N C -1.938 173.547 175.510 -0.042 0.000 1.294 376 N CA -1.676 51.344 53.050 -0.050 0.000 0.924 376 N CB -1.564 36.869 38.487 -0.090 0.000 1.186 376 N HN 0.162 nan 8.380 nan 0.000 0.495 377 P HA -0.158 nan 4.420 nan 0.000 0.216 377 P C 1.043 178.323 177.300 -0.033 0.000 1.153 377 P CA 1.581 64.669 63.100 -0.021 0.000 0.858 377 P CB 0.174 31.865 31.700 -0.015 0.000 0.789 378 E N -0.791 119.380 120.200 -0.047 0.000 2.047 378 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 378 E C 1.776 178.340 176.600 -0.061 0.000 0.987 378 E CA 0.785 57.156 56.400 -0.049 0.000 0.799 378 E CB -1.181 28.487 29.700 -0.053 0.000 0.752 378 E HN 0.006 nan 8.360 nan 0.000 0.449 379 L N 0.036 121.203 121.223 -0.094 0.000 2.201 379 L HA 0.076 4.416 4.340 -0.000 0.000 0.212 379 L C 1.962 178.794 176.870 -0.064 0.000 1.105 379 L CA 1.681 56.456 54.840 -0.109 0.000 0.775 379 L CB -0.764 41.161 42.059 -0.223 0.000 0.913 379 L HN 0.150 nan 8.230 nan 0.000 0.440 380 A N -0.737 122.055 122.820 -0.045 0.000 2.019 380 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 380 A C 2.158 179.733 177.584 -0.015 0.000 1.164 380 A CA 1.442 53.469 52.037 -0.017 0.000 0.644 380 A CB -0.485 18.511 19.000 -0.007 0.000 0.805 380 A HN 0.482 nan 8.150 nan 0.000 0.449 381 K N -0.389 119.999 120.400 -0.020 0.000 2.362 381 K HA -0.051 4.269 4.320 -0.000 0.000 0.200 381 K C 0.255 176.847 176.600 -0.012 0.000 1.046 381 K CA 1.011 57.289 56.287 -0.015 0.000 0.952 381 K CB -0.070 32.420 32.500 -0.017 0.000 0.753 381 K HN 0.469 nan 8.250 nan 0.000 0.466 382 N N -0.148 118.544 118.700 -0.014 0.000 2.118 382 N HA 0.133 4.873 4.740 -0.000 0.000 0.226 382 N C -0.518 174.993 175.510 0.001 0.000 1.305 382 N CA 0.027 53.073 53.050 -0.007 0.000 0.890 382 N CB 1.275 39.756 38.487 -0.010 0.000 1.118 382 N HN 0.015 nan 8.380 nan 0.000 0.511 383 L N 1.858 123.084 121.223 0.005 0.000 2.319 383 L HA 0.476 4.816 4.340 -0.000 0.000 0.281 383 L C -0.128 176.753 176.870 0.019 0.000 1.005 383 L CA -0.704 54.151 54.840 0.025 0.000 0.828 383 L CB 2.315 44.405 42.059 0.051 0.000 1.227 383 L HN -0.317 nan 8.230 nan 0.000 0.415 384 V N 2.219 122.140 119.914 0.013 0.000 2.686 384 V HA 0.288 4.408 4.120 -0.000 0.000 0.295 384 V C 0.702 176.786 176.094 -0.017 0.000 1.055 384 V CA -0.177 62.121 62.300 -0.004 0.000 1.050 384 V CB 1.499 33.318 31.823 -0.006 0.000 0.984 384 V HN 0.890 nan 8.190 nan 0.000 0.482 385 T N 1.983 116.509 114.554 -0.047 0.000 2.912 385 T HA 0.806 5.156 4.350 -0.000 0.000 0.288 385 T C -0.767 173.840 174.700 -0.154 0.000 1.030 385 T CA -0.870 61.173 62.100 -0.094 0.000 1.020 385 T CB 2.381 71.197 68.868 -0.087 0.000 1.056 385 T HN 0.712 nan 8.240 nan 0.000 0.480 386 E N 0.250 120.307 120.200 -0.238 0.000 2.458 386 E HA 0.271 4.621 4.350 -0.000 0.000 0.278 386 E C -0.496 175.939 176.600 -0.275 0.000 1.004 386 E CA -0.896 55.376 56.400 -0.213 0.000 0.823 386 E CB 1.271 30.912 29.700 -0.098 0.000 1.396 386 E HN 0.658 nan 8.360 nan 0.000 0.463 387 Y N 0.704 120.988 120.300 -0.027 0.000 2.420 387 Y HA 0.181 4.731 4.550 -0.000 0.000 0.292 387 Y C 1.183 177.144 175.900 0.101 0.000 1.119 387 Y CA 1.255 59.391 58.100 0.059 0.000 1.229 387 Y CB 0.636 39.130 38.460 0.056 0.000 1.026 387 Y HN 0.781 nan 8.280 nan 0.000 0.554 388 G N 1.420 110.321 108.800 0.168 0.000 3.039 388 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.686 388 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.686 388 G C -0.543 174.469 174.900 0.187 0.000 1.066 388 G CA -0.615 44.583 45.100 0.164 0.000 0.774 388 G HN 0.515 nan 8.290 nan 0.000 0.591 389 R N 1.132 121.718 120.500 0.142 0.000 2.489 389 R HA 0.096 4.436 4.340 -0.000 0.000 0.287 389 R C -0.080 176.324 176.300 0.173 0.000 0.902 389 R CA 0.144 56.323 56.100 0.132 0.000 1.136 389 R CB 0.137 30.486 30.300 0.082 0.000 0.872 389 R HN 1.164 nan 8.270 nan 0.000 0.421 390 F N 3.840 123.811 119.950 0.036 0.000 2.438 390 F HA 0.246 4.773 4.527 -0.000 0.000 0.356 390 F C -0.647 175.163 175.800 0.017 0.000 1.099 390 F CA -1.120 56.892 58.000 0.021 0.000 1.185 390 F CB 1.054 40.059 39.000 0.009 0.000 1.115 390 F HN 0.715 nan 8.300 nan 0.000 0.526 391 D N 9.115 129.142 120.400 -0.621 0.000 2.363 391 D HA 0.272 4.912 4.640 -0.000 0.000 0.258 391 D C -1.605 174.340 176.300 -0.592 0.000 1.259 391 D CA -1.905 51.762 54.000 -0.554 0.000 0.921 391 D CB 1.303 41.983 40.800 -0.200 0.000 1.201 391 D HN 0.262 nan 8.370 nan 0.000 0.524 392 P HA -0.168 nan 4.420 nan 0.000 0.219 392 P C 1.069 178.304 177.300 -0.110 0.000 1.158 392 P CA 1.397 64.259 63.100 -0.396 0.000 0.895 392 P CB 0.330 31.857 31.700 -0.288 0.000 0.792 393 G N -1.713 107.024 108.800 -0.105 0.000 3.233 393 G HA2 0.304 4.264 3.960 -0.000 0.000 0.234 393 G HA3 0.304 4.264 3.960 -0.000 0.000 0.234 393 G C 1.569 176.500 174.900 0.053 0.000 1.137 393 G CA 0.545 45.644 45.100 -0.002 0.000 0.763 393 G HN 0.391 nan 8.290 nan 0.000 0.549 394 A N 0.876 123.702 122.820 0.011 0.000 1.908 394 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 394 A C 2.178 179.828 177.584 0.110 0.000 1.181 394 A CA 2.120 54.206 52.037 0.081 0.000 0.627 394 A CB -0.239 18.779 19.000 0.030 0.000 0.818 394 A HN 0.403 nan 8.150 nan 0.000 0.445 395 M N 0.125 119.740 119.600 0.025 0.000 2.200 395 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 395 M C 1.356 177.701 176.300 0.075 0.000 1.066 395 M CA 1.579 56.882 55.300 0.004 0.000 1.127 395 M CB -0.701 31.874 32.600 -0.041 0.000 1.379 395 M HN 0.362 nan 8.290 nan 0.000 0.420 396 N N -1.044 117.712 118.700 0.092 0.000 2.244 396 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 396 N C 1.610 177.188 175.510 0.114 0.000 1.016 396 N CA 1.122 54.228 53.050 0.094 0.000 0.866 396 N CB -0.510 38.030 38.487 0.089 0.000 0.980 396 N HN 0.485 nan 8.380 nan 0.000 0.430 397 Y N 1.702 122.041 120.300 0.065 0.000 2.242 397 Y HA -0.120 4.430 4.550 -0.000 0.000 0.291 397 Y C 2.308 178.282 175.900 0.123 0.000 1.137 397 Y CA 1.370 59.523 58.100 0.088 0.000 1.181 397 Y CB -0.462 38.052 38.460 0.089 0.000 0.989 397 Y HN -0.005 nan 8.280 nan 0.000 0.527 398 T N 0.240 114.912 114.554 0.198 0.000 2.708 398 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 398 T C 1.832 176.598 174.700 0.109 0.000 1.037 398 T CA 1.906 64.128 62.100 0.204 0.000 1.146 398 T CB -0.176 68.870 68.868 0.296 0.000 0.865 398 T HN 0.264 nan 8.240 nan 0.000 0.435 399 K N 0.427 120.881 120.400 0.090 0.000 2.097 399 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 399 K C 2.194 178.793 176.600 -0.002 0.000 1.049 399 K CA 0.883 57.206 56.287 0.059 0.000 0.933 399 K CB -0.352 32.182 32.500 0.056 0.000 0.717 399 K HN 0.133 nan 8.250 nan 0.000 0.442 400 L N 1.516 122.703 121.223 -0.060 0.000 2.027 400 L HA -0.158 4.181 4.340 -0.000 0.000 0.206 400 L C 1.923 178.717 176.870 -0.127 0.000 1.074 400 L CA 1.566 56.339 54.840 -0.111 0.000 0.745 400 L CB -0.375 41.570 42.059 -0.190 0.000 0.898 400 L HN 0.095 nan 8.230 nan 0.000 0.433 401 I N -0.506 119.956 120.570 -0.181 0.000 2.163 401 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 401 I C 2.596 178.699 176.117 -0.023 0.000 1.085 401 I CA 1.573 62.812 61.300 -0.103 0.000 1.347 401 I CB -1.200 36.769 38.000 -0.050 0.000 1.044 401 I HN 0.313 nan 8.210 nan 0.000 0.408 402 L N 0.728 121.953 121.223 0.004 0.000 2.141 402 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 402 L C 2.759 179.622 176.870 -0.012 0.000 1.094 402 L CA 1.526 56.372 54.840 0.011 0.000 0.763 402 L CB -0.564 41.519 42.059 0.041 0.000 0.908 402 L HN 0.335 nan 8.230 nan 0.000 0.437 403 S N -0.999 114.692 115.700 -0.016 0.000 2.428 403 S HA -0.109 4.361 4.470 -0.000 0.000 0.230 403 S C 1.537 176.121 174.600 -0.028 0.000 1.014 403 S CA 0.737 58.924 58.200 -0.022 0.000 0.957 403 S CB -0.123 63.066 63.200 -0.018 0.000 0.784 403 S HN 0.319 nan 8.310 nan 0.000 0.499 404 E N 1.142 121.323 120.200 -0.031 0.000 2.419 404 E HA 0.204 4.554 4.350 -0.000 0.000 0.190 404 E C 1.560 178.141 176.600 -0.032 0.000 1.040 404 E CA -0.207 56.176 56.400 -0.029 0.000 0.900 404 E CB -0.247 29.438 29.700 -0.026 0.000 1.054 404 E HN 0.594 nan 8.360 nan 0.000 0.462 405 R N 1.175 121.651 120.500 -0.039 0.000 2.113 405 R HA -0.240 4.100 4.340 -0.000 0.000 0.244 405 R C 0.985 177.234 176.300 -0.085 0.000 1.142 405 R CA 1.800 57.865 56.100 -0.058 0.000 0.953 405 R CB 0.273 30.535 30.300 -0.064 0.000 0.860 405 R HN 0.003 nan 8.270 nan 0.000 0.438 406 E N -0.316 119.838 120.200 -0.076 0.000 2.107 406 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 406 E C 2.054 178.611 176.600 -0.073 0.000 0.982 406 E CA 1.068 57.417 56.400 -0.085 0.000 0.809 406 E CB -0.156 29.503 29.700 -0.069 0.000 0.756 406 E HN 0.280 nan 8.360 nan 0.000 0.459 407 R N 0.079 120.549 120.500 -0.049 0.000 2.092 407 R HA 0.005 4.345 4.340 -0.000 0.000 0.231 407 R C 1.699 177.978 176.300 -0.035 0.000 1.119 407 R CA 0.900 56.980 56.100 -0.034 0.000 0.970 407 R CB -0.046 30.242 30.300 -0.019 0.000 0.864 407 R HN 0.182 nan 8.270 nan 0.000 0.440 408 L N -0.832 120.370 121.223 -0.035 0.000 2.509 408 L HA 0.232 4.572 4.340 -0.000 0.000 0.222 408 L C 1.073 177.906 176.870 -0.062 0.000 1.123 408 L CA 0.423 55.255 54.840 -0.014 0.000 0.856 408 L CB 0.149 42.231 42.059 0.039 0.000 0.985 408 L HN 0.493 nan 8.230 nan 0.000 0.456 409 G N 1.583 110.305 108.800 -0.130 0.000 2.221 409 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 409 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 409 G C 0.174 174.807 174.900 -0.444 0.000 1.041 409 G CA -0.149 44.803 45.100 -0.247 0.000 0.807 409 G HN 0.338 nan 8.290 nan 0.000 0.502 410 I N 0.410 120.777 120.570 -0.338 0.000 2.363 410 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 410 I C 0.833 176.661 176.117 -0.482 0.000 1.075 410 I CA 0.103 61.182 61.300 -0.368 0.000 1.333 410 I CB 0.535 38.467 38.000 -0.113 0.000 1.415 410 I HN 0.066 nan 8.210 nan 0.000 0.502 411 K N 3.384 123.215 120.400 -0.948 0.000 2.139 411 K HA 0.389 4.709 4.320 -0.000 0.000 0.243 411 K C 1.037 177.409 176.600 -0.381 0.000 0.983 411 K CA -0.579 55.172 56.287 -0.894 0.000 0.890 411 K CB 1.389 32.934 32.500 -1.591 0.000 1.090 411 K HN 0.594 nan 8.250 nan 0.000 0.445 412 T N -3.101 111.305 114.554 -0.246 0.000 3.037 412 T HA 0.086 4.436 4.350 -0.000 0.000 0.251 412 T C 0.548 175.246 174.700 -0.004 0.000 1.079 412 T CA -0.202 61.864 62.100 -0.057 0.000 1.067 412 T CB -0.143 68.688 68.868 -0.062 0.000 0.948 412 T HN 0.342 nan 8.240 nan 0.000 0.496 413 V N -1.726 118.130 119.914 -0.096 0.000 2.686 413 V HA 0.846 4.966 4.120 -0.000 0.000 0.306 413 V C -1.938 174.159 176.094 0.006 0.000 1.065 413 V CA -1.625 60.689 62.300 0.024 0.000 0.894 413 V CB 1.072 32.888 31.823 -0.011 0.000 1.004 413 V HN 0.350 nan 8.190 nan 0.000 0.424 414 W N 3.233 124.483 121.300 -0.082 0.000 3.031 414 W HA 0.773 5.432 4.660 -0.000 0.000 0.337 414 W C -2.830 173.690 176.519 0.002 0.000 1.187 414 W CA -2.382 54.944 57.345 -0.032 0.000 1.166 414 W CB 1.508 30.973 29.460 0.007 0.000 1.437 414 W HN 0.322 nan 8.180 nan 0.000 0.551 415 P HA 0.121 nan 4.420 nan 0.000 0.281 415 P C 0.715 178.146 177.300 0.219 0.000 1.252 415 P CA 0.158 63.375 63.100 0.194 0.000 0.778 415 P CB 1.211 33.007 31.700 0.159 0.000 0.895 416 T N 2.931 117.575 114.554 0.150 0.000 2.737 416 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 416 T C 1.754 176.541 174.700 0.146 0.000 1.040 416 T CA 1.616 63.796 62.100 0.134 0.000 1.142 416 T CB -0.307 68.611 68.868 0.084 0.000 0.861 416 T HN 0.460 nan 8.240 nan 0.000 0.456 417 R N 0.757 121.333 120.500 0.126 0.000 2.105 417 R HA -0.064 4.276 4.340 -0.000 0.000 0.239 417 R C 2.581 178.960 176.300 0.132 0.000 1.135 417 R CA 1.421 57.585 56.100 0.107 0.000 0.967 417 R CB -0.151 30.205 30.300 0.094 0.000 0.861 417 R HN 0.537 nan 8.270 nan 0.000 0.442 418 E N -0.886 119.432 120.200 0.196 0.000 2.107 418 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 418 E C 1.551 178.308 176.600 0.261 0.000 0.982 418 E CA 0.900 57.460 56.400 0.266 0.000 0.809 418 E CB -0.086 29.828 29.700 0.358 0.000 0.756 418 E HN 0.333 nan 8.360 nan 0.000 0.459 419 Y N 1.724 122.032 120.300 0.013 0.000 2.181 419 Y HA -0.215 4.335 4.550 0.000 0.000 0.288 419 Y C 2.352 178.147 175.900 -0.175 0.000 1.146 419 Y CA 1.707 59.546 58.100 -0.434 0.000 1.164 419 Y CB -0.451 37.618 38.460 -0.652 0.000 0.982 419 Y HN -0.100 nan 8.280 nan 0.000 0.515 420 T N 0.401 114.878 114.554 -0.129 0.000 2.746 420 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 420 T C 1.341 175.968 174.700 -0.122 0.000 1.039 420 T CA 1.666 63.670 62.100 -0.161 0.000 1.142 420 T CB -0.349 68.502 68.868 -0.028 0.000 0.866 420 T HN 0.382 nan 8.240 nan 0.000 0.444 421 D N 0.669 121.068 120.400 -0.002 0.000 2.117 421 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 421 D C 1.689 178.042 176.300 0.089 0.000 0.987 421 D CA 0.736 54.777 54.000 0.068 0.000 0.829 421 D CB -0.550 40.337 40.800 0.145 0.000 0.961 421 D HN 0.362 nan 8.370 nan 0.000 0.460 422 F N 1.945 121.849 119.950 -0.076 0.000 2.161 422 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 422 F C 2.181 177.897 175.800 -0.139 0.000 1.089 422 F CA 1.337 59.288 58.000 -0.082 0.000 1.282 422 F CB 0.008 38.892 39.000 -0.193 0.000 1.010 422 F HN -0.194 nan 8.300 nan 0.000 0.485 423 R N 0.074 120.268 120.500 -0.510 0.000 2.092 423 R HA -0.153 4.186 4.340 -0.000 0.000 0.231 423 R C 2.326 178.493 176.300 -0.221 0.000 1.119 423 R CA 1.470 57.267 56.100 -0.506 0.000 0.970 423 R CB -0.558 29.449 30.300 -0.489 0.000 0.864 423 R HN 0.449 nan 8.270 nan 0.000 0.440 424 E N 0.257 120.378 120.200 -0.131 0.000 2.031 424 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 424 E C 1.625 178.221 176.600 -0.008 0.000 0.994 424 E CA 1.096 57.462 56.400 -0.056 0.000 0.800 424 E CB -0.182 29.497 29.700 -0.036 0.000 0.752 424 E HN 0.365 nan 8.360 nan 0.000 0.447 425 Y N -0.605 119.631 120.300 -0.106 0.000 2.446 425 Y HA -0.251 4.298 4.550 -0.000 0.000 0.287 425 Y C 1.774 177.617 175.900 -0.094 0.000 1.159 425 Y CA 1.057 59.115 58.100 -0.070 0.000 1.297 425 Y CB 0.049 38.505 38.460 -0.005 0.000 0.974 425 Y HN 0.173 nan 8.280 nan 0.000 0.557 426 F N -0.673 119.196 119.950 -0.135 0.000 2.274 426 F HA -0.031 4.496 4.527 0.000 0.000 0.288 426 F C 1.916 177.644 175.800 -0.121 0.000 1.069 426 F CA 0.811 58.692 58.000 -0.198 0.000 1.343 426 F CB -0.130 38.579 39.000 -0.486 0.000 1.089 426 F HN -0.155 nan 8.300 nan 0.000 0.517 427 M N 0.016 119.601 119.600 -0.024 0.000 2.632 427 M HA -0.114 4.366 4.480 -0.000 0.000 0.256 427 M C 1.479 177.703 176.300 -0.127 0.000 1.080 427 M CA 1.172 56.422 55.300 -0.084 0.000 1.084 427 M CB -0.315 32.270 32.600 -0.025 0.000 1.439 427 M HN 0.273 nan 8.290 nan 0.000 0.509 428 E N -0.143 119.980 120.200 -0.127 0.000 2.057 428 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 428 E C 2.036 178.549 176.600 -0.145 0.000 0.969 428 E CA 0.705 57.029 56.400 -0.127 0.000 0.812 428 E CB 0.217 29.834 29.700 -0.139 0.000 0.777 428 E HN 0.203 nan 8.360 nan 0.000 0.455 429 V N 1.668 121.488 119.914 -0.156 0.000 2.380 429 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 429 V C 1.117 177.087 176.094 -0.206 0.000 1.063 429 V CA 1.608 63.816 62.300 -0.152 0.000 1.055 429 V CB -0.619 31.129 31.823 -0.125 0.000 0.657 429 V HN 0.246 nan 8.190 nan 0.000 0.455 430 A N 0.000 122.636 122.820 -0.306 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 51.865 52.037 -0.286 0.000 0.836 430 A CB 0.000 18.735 19.000 -0.442 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486