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_C 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 DFREYFME 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 0.000 176.074 176.117 -0.071 0.000 1.063 11 I CA 0.000 61.242 61.300 -0.097 0.000 1.566 11 I CB 0.000 37.971 38.000 -0.049 0.000 1.214 12 V N 10.826 130.681 119.914 -0.100 0.000 2.416 12 V HA 0.123 4.243 4.120 -0.000 0.000 0.267 12 V C -1.422 174.689 176.094 0.030 0.000 1.007 12 V CA -0.555 61.722 62.300 -0.039 0.000 1.102 12 V CB -0.030 31.765 31.823 -0.046 0.000 1.035 12 V HN 0.726 nan 8.190 nan 0.000 0.473 13 P HA -0.241 nan 4.420 nan 0.000 0.218 13 P C 1.624 178.950 177.300 0.043 0.000 1.154 13 P CA 1.441 64.568 63.100 0.044 0.000 0.872 13 P CB 0.023 31.759 31.700 0.059 0.000 0.790 14 F N 0.180 120.134 119.950 0.007 0.000 2.095 14 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 14 F C 1.992 177.810 175.800 0.030 0.000 1.104 14 F CA 1.439 59.441 58.000 0.004 0.000 1.232 14 F CB -0.751 38.234 39.000 -0.024 0.000 0.987 14 F HN -0.232 nan 8.300 nan 0.000 0.475 15 I N 0.405 120.900 120.570 -0.125 0.000 2.286 15 I HA -0.268 3.901 4.170 -0.000 0.000 0.248 15 I C 2.548 178.564 176.117 -0.168 0.000 1.115 15 I CA 1.391 62.623 61.300 -0.114 0.000 1.392 15 I CB -1.362 36.756 38.000 0.196 0.000 1.065 15 I HN 0.217 nan 8.210 nan 0.000 0.418 16 R N 0.407 120.858 120.500 -0.082 0.000 2.073 16 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 16 R C 2.630 178.855 176.300 -0.125 0.000 1.134 16 R CA 1.927 57.994 56.100 -0.055 0.000 0.952 16 R CB -0.175 30.128 30.300 0.006 0.000 0.850 16 R HN 0.188 nan 8.270 nan 0.000 0.433 17 S N 0.157 115.743 115.700 -0.189 0.000 2.368 17 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 17 S C 1.825 176.273 174.600 -0.253 0.000 1.030 17 S CA 1.155 59.238 58.200 -0.196 0.000 0.999 17 S CB -0.291 62.795 63.200 -0.191 0.000 0.844 17 S HN 0.326 nan 8.310 nan 0.000 0.459 18 L N 1.522 122.477 121.223 -0.447 0.000 2.012 18 L HA 0.044 4.384 4.340 -0.000 0.000 0.210 18 L C 1.958 178.739 176.870 -0.149 0.000 1.073 18 L CA 1.877 56.503 54.840 -0.356 0.000 0.748 18 L CB -0.580 41.180 42.059 -0.497 0.000 0.891 18 L HN 0.394 nan 8.230 nan 0.000 0.431 19 L N -1.686 119.461 121.223 -0.126 0.000 2.375 19 L HA 0.066 4.406 4.340 -0.000 0.000 0.215 19 L C 0.692 177.606 176.870 0.074 0.000 1.108 19 L CA 0.298 55.138 54.840 -0.000 0.000 0.830 19 L CB -0.088 41.935 42.059 -0.060 0.000 0.959 19 L HN 0.212 nan 8.230 nan 0.000 0.457 20 M N -0.567 119.033 119.600 0.000 0.000 2.353 20 M HA 0.246 4.726 4.480 -0.000 0.000 0.218 20 M C -2.025 174.273 176.300 -0.003 0.000 1.044 20 M CA -1.282 54.045 55.300 0.045 0.000 0.615 20 M CB 1.498 34.099 32.600 0.002 0.000 1.531 20 M HN -0.261 nan 8.290 nan 0.000 0.378 21 P HA -0.175 nan 4.420 nan 0.000 0.217 21 P C 1.372 178.653 177.300 -0.033 0.000 1.148 21 P CA 1.599 64.667 63.100 -0.054 0.000 0.828 21 P CB -0.163 31.489 31.700 -0.080 0.000 0.783 22 T N -4.590 109.958 114.554 -0.010 0.000 3.098 22 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 22 T C 1.503 176.202 174.700 -0.001 0.000 1.145 22 T CA 1.507 63.606 62.100 -0.003 0.000 1.092 22 T CB -1.497 67.377 68.868 0.010 0.000 0.908 22 T HN 0.227 nan 8.240 nan 0.000 0.526 23 T N -1.881 112.670 114.554 -0.005 0.000 3.088 23 T HA 0.504 4.854 4.350 -0.000 0.000 0.259 23 T C 1.171 175.872 174.700 0.001 0.000 1.122 23 T CA 0.207 62.306 62.100 -0.003 0.000 1.095 23 T CB -0.375 68.489 68.868 -0.006 0.000 0.930 23 T HN 1.066 nan 8.240 nan 0.000 0.508 24 G N 1.553 110.351 108.800 -0.003 0.000 2.371 24 G HA2 0.254 4.214 3.960 -0.000 0.000 0.663 24 G HA3 0.254 4.214 3.960 -0.000 0.000 0.663 24 G C -3.380 171.521 174.900 0.002 0.000 1.311 24 G CA -0.656 44.449 45.100 0.008 0.000 0.985 24 G HN 0.280 nan 8.290 nan 0.000 0.566 25 P HA 0.705 nan 4.420 nan 0.000 0.280 25 P C -0.341 177.002 177.300 0.072 0.000 1.272 25 P CA 0.355 63.480 63.100 0.041 0.000 0.819 25 P CB 1.973 33.715 31.700 0.069 0.000 1.122 26 A N 0.209 123.098 122.820 0.116 0.000 2.612 26 A HA 0.561 4.881 4.320 -0.000 0.000 0.293 26 A C -0.626 177.102 177.584 0.239 0.000 1.075 26 A CA -0.511 51.630 52.037 0.173 0.000 0.680 26 A CB 0.621 19.728 19.000 0.177 0.000 1.279 26 A HN 0.367 nan 8.150 nan 0.000 0.411 27 S N 0.543 116.381 115.700 0.230 0.000 2.565 27 S HA 0.453 4.923 4.470 -0.000 0.000 0.276 27 S C 0.256 174.872 174.600 0.027 0.000 1.326 27 S CA -0.266 58.043 58.200 0.183 0.000 1.045 27 S CB 0.240 63.608 63.200 0.280 0.000 0.918 27 S HN 0.460 nan 8.310 nan 0.000 0.505 28 I N 4.854 125.321 120.570 -0.170 0.000 2.533 28 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 28 I C -1.472 174.319 176.117 -0.543 0.000 1.109 28 I CA -1.514 59.399 61.300 -0.644 0.000 1.412 28 I CB 0.433 38.128 38.000 -0.509 0.000 1.396 28 I HN 0.428 nan 8.210 nan 0.000 0.543 29 P HA 0.048 nan 4.420 nan 0.000 0.237 29 P C -0.910 176.227 177.300 -0.271 0.000 1.723 29 P CA -0.122 62.760 63.100 -0.363 0.000 0.882 29 P CB -0.437 31.068 31.700 -0.324 0.000 1.810 30 D N -0.846 119.410 120.400 -0.239 0.000 2.570 30 D HA 0.135 4.775 4.640 -0.000 0.000 0.266 30 D C 0.348 176.633 176.300 -0.024 0.000 1.182 30 D CA -0.375 53.552 54.000 -0.122 0.000 1.088 30 D CB -0.110 40.625 40.800 -0.109 0.000 1.186 30 D HN -0.221 nan 8.370 nan 0.000 0.618 31 D N -1.332 119.072 120.400 0.008 0.000 2.368 31 D HA 0.085 4.725 4.640 -0.000 0.000 0.218 31 D C -0.118 176.217 176.300 0.059 0.000 1.112 31 D CA 0.182 54.202 54.000 0.034 0.000 0.834 31 D CB 0.087 40.904 40.800 0.028 0.000 0.953 31 D HN 0.242 nan 8.370 nan 0.000 0.505 32 T N 1.848 116.445 114.554 0.072 0.000 3.945 32 T HA 0.201 4.551 4.350 -0.000 0.000 0.306 32 T C 0.935 175.749 174.700 0.190 0.000 1.475 32 T CA -0.220 61.956 62.100 0.125 0.000 1.177 32 T CB -0.228 68.714 68.868 0.123 0.000 1.272 32 T HN 0.032 nan 8.240 nan 0.000 0.930 33 L N 3.628 124.962 121.223 0.184 0.000 2.505 33 L HA 0.212 4.552 4.340 -0.000 0.000 0.279 33 L C 0.757 177.854 176.870 0.378 0.000 1.211 33 L CA 0.238 55.252 54.840 0.290 0.000 1.059 33 L CB -0.209 41.963 42.059 0.188 0.000 1.340 33 L HN 0.416 nan 8.230 nan 0.000 0.447 34 E N 2.967 123.355 120.200 0.313 0.000 2.244 34 E HA 0.370 4.720 4.350 -0.000 0.000 0.266 34 E C -0.698 175.848 176.600 -0.090 0.000 0.914 34 E CA -1.017 55.408 56.400 0.043 0.000 0.794 34 E CB 2.461 31.999 29.700 -0.270 0.000 1.210 34 E HN 0.308 nan 8.360 nan 0.000 0.414 35 K N 3.053 123.181 120.400 -0.453 0.000 2.349 35 K HA 0.148 4.468 4.320 -0.000 0.000 0.288 35 K C 0.110 176.592 176.600 -0.197 0.000 1.058 35 K CA 0.012 55.972 56.287 -0.546 0.000 0.953 35 K CB 0.341 32.507 32.500 -0.558 0.000 0.997 35 K HN 0.561 nan 8.250 nan 0.000 0.477 36 H N -0.348 118.641 119.070 -0.135 0.000 2.947 36 H HA 0.461 5.017 4.556 -0.000 0.000 0.290 36 H C -1.115 174.233 175.328 0.033 0.000 1.430 36 H CA -0.761 55.280 56.048 -0.013 0.000 1.189 36 H CB 1.881 31.720 29.762 0.128 0.000 1.875 36 H HN 0.462 nan 8.280 nan 0.000 0.568 37 T N 0.289 114.982 114.554 0.232 0.000 2.916 37 T HA 0.588 4.938 4.350 -0.000 0.000 0.292 37 T C -1.059 173.795 174.700 0.256 0.000 1.064 37 T CA -0.768 61.427 62.100 0.159 0.000 1.011 37 T CB 1.206 70.163 68.868 0.147 0.000 1.152 37 T HN 0.427 nan 8.240 nan 0.000 0.510 38 L N 3.411 124.748 121.223 0.191 0.000 2.346 38 L HA 0.756 5.096 4.340 -0.000 0.000 0.276 38 L C 0.052 177.004 176.870 0.136 0.000 1.006 38 L CA -1.053 53.898 54.840 0.184 0.000 0.817 38 L CB 1.580 43.745 42.059 0.176 0.000 1.272 38 L HN 0.469 nan 8.230 nan 0.000 0.421 39 R N 1.270 121.858 120.500 0.147 0.000 2.774 39 R HA 0.613 4.953 4.340 -0.000 0.000 0.272 39 R C -1.445 174.979 176.300 0.206 0.000 1.000 39 R CA -0.897 55.295 56.100 0.153 0.000 0.906 39 R CB 2.413 32.776 30.300 0.105 0.000 1.227 39 R HN 0.496 nan 8.270 nan 0.000 0.468 40 S N 1.205 117.009 115.700 0.173 0.000 2.502 40 S HA 0.451 4.921 4.470 -0.000 0.000 0.304 40 S C -0.894 173.819 174.600 0.190 0.000 1.097 40 S CA -0.767 57.525 58.200 0.154 0.000 1.045 40 S CB 2.014 65.265 63.200 0.085 0.000 1.019 40 S HN 0.237 nan 8.310 nan 0.000 0.481 41 E N 2.479 122.828 120.200 0.248 0.000 2.210 41 E HA 0.400 4.750 4.350 -0.000 0.000 0.266 41 E C -0.096 176.605 176.600 0.168 0.000 0.883 41 E CA -0.452 56.086 56.400 0.230 0.000 0.761 41 E CB 1.993 31.891 29.700 0.331 0.000 1.156 41 E HN 0.718 nan 8.360 nan 0.000 0.412 42 T N -0.760 113.865 114.554 0.118 0.000 2.847 42 T HA 0.586 4.936 4.350 -0.000 0.000 0.279 42 T C 0.227 174.991 174.700 0.107 0.000 0.984 42 T CA -0.621 61.532 62.100 0.088 0.000 0.988 42 T CB 1.066 69.966 68.868 0.052 0.000 1.040 42 T HN 0.111 nan 8.240 nan 0.000 0.528 43 S N 0.933 116.696 115.700 0.106 0.000 2.647 43 S HA 0.676 5.146 4.470 -0.000 0.000 0.300 43 S C -0.658 174.009 174.600 0.111 0.000 1.129 43 S CA -0.875 57.426 58.200 0.168 0.000 1.029 43 S CB 1.463 64.814 63.200 0.252 0.000 1.007 43 S HN 1.120 nan 8.310 nan 0.000 0.484 44 T N 1.276 115.805 114.554 -0.041 0.000 2.949 44 T HA 0.725 5.075 4.350 -0.000 0.000 0.300 44 T C -1.411 173.070 174.700 -0.364 0.000 0.988 44 T CA -0.500 61.540 62.100 -0.100 0.000 0.993 44 T CB 0.473 69.274 68.868 -0.113 0.000 0.984 44 T HN 0.393 nan 8.240 nan 0.000 0.442 45 Y N 1.415 121.723 120.300 0.013 0.000 2.492 45 Y HA 0.572 5.122 4.550 -0.000 0.000 0.346 45 Y C -0.192 175.689 175.900 -0.032 0.000 0.997 45 Y CA -1.232 56.863 58.100 -0.009 0.000 1.025 45 Y CB 2.422 40.874 38.460 -0.013 0.000 1.263 45 Y HN 0.591 nan 8.280 nan 0.000 0.454 46 N N 3.843 122.591 118.700 0.081 0.000 2.626 46 N HA 0.400 5.140 4.740 -0.000 0.000 0.242 46 N C -1.372 174.148 175.510 0.018 0.000 1.005 46 N CA -0.293 52.771 53.050 0.022 0.000 0.905 46 N CB 1.191 39.676 38.487 -0.003 0.000 1.128 46 N HN 0.547 nan 8.380 nan 0.000 0.512 47 L N 0.955 122.156 121.223 -0.038 0.000 2.357 47 L HA 0.444 4.784 4.340 -0.000 0.000 0.273 47 L C 0.762 177.601 176.870 -0.051 0.000 1.080 47 L CA -0.386 54.403 54.840 -0.084 0.000 0.803 47 L CB 1.039 42.890 42.059 -0.347 0.000 1.174 47 L HN 0.171 nan 8.230 nan 0.000 0.443 48 T N 1.728 116.300 114.554 0.030 0.000 2.795 48 T HA 0.336 4.685 4.350 -0.000 0.000 0.282 48 T C 0.007 174.774 174.700 0.112 0.000 0.980 48 T CA -0.457 61.669 62.100 0.044 0.000 1.012 48 T CB 1.589 70.483 68.868 0.044 0.000 0.936 48 T HN 0.193 nan 8.240 nan 0.000 0.457 49 V N 3.724 123.676 119.914 0.064 0.000 2.555 49 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 49 V C 1.284 177.452 176.094 0.123 0.000 1.044 49 V CA -0.242 62.133 62.300 0.124 0.000 1.026 49 V CB 0.874 32.721 31.823 0.040 0.000 0.981 49 V HN 1.037 nan 8.190 nan 0.000 0.480 50 G N 2.931 111.825 108.800 0.157 0.000 2.553 50 G HA2 0.169 4.129 3.960 -0.000 0.000 0.278 50 G HA3 0.169 4.129 3.960 -0.000 0.000 0.278 50 G C 0.605 175.547 174.900 0.071 0.000 1.349 50 G CA 0.239 45.396 45.100 0.094 0.000 1.037 50 G HN 0.825 nan 8.290 nan 0.000 0.508 51 D N -1.661 118.765 120.400 0.042 0.000 2.348 51 D HA -0.110 4.530 4.640 -0.000 0.000 0.216 51 D C 2.104 178.418 176.300 0.023 0.000 0.970 51 D CA 1.357 55.373 54.000 0.028 0.000 0.889 51 D CB -0.641 40.167 40.800 0.014 0.000 0.912 51 D HN 0.411 nan 8.370 nan 0.000 0.524 52 T N -4.102 110.467 114.554 0.025 0.000 3.081 52 T HA 0.306 4.656 4.350 -0.000 0.000 0.255 52 T C 1.838 176.556 174.700 0.031 0.000 1.113 52 T CA 0.458 62.563 62.100 0.007 0.000 1.082 52 T CB -0.283 68.572 68.868 -0.022 0.000 0.939 52 T HN 0.344 nan 8.240 nan 0.000 0.506 53 G N 0.312 109.162 108.800 0.083 0.000 2.155 53 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.257 53 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.257 53 G C 0.123 175.154 174.900 0.218 0.000 0.983 53 G CA 0.249 45.427 45.100 0.130 0.000 0.676 53 G HN 0.787 nan 8.290 nan 0.000 0.528 54 S N -0.876 114.915 115.700 0.152 0.000 2.542 54 S HA 0.902 5.372 4.470 -0.000 0.000 0.293 54 S C 0.364 174.857 174.600 -0.179 0.000 1.089 54 S CA 0.357 58.552 58.200 -0.008 0.000 0.961 54 S CB 2.046 65.200 63.200 -0.076 0.000 1.062 54 S HN 1.682 nan 8.310 nan 0.000 0.483 55 G N 0.693 109.002 108.800 -0.820 0.000 2.550 55 G HA2 0.596 4.556 3.960 -0.000 0.000 0.293 55 G HA3 0.596 4.556 3.960 -0.000 0.000 0.293 55 G C -2.448 172.157 174.900 -0.492 0.000 1.402 55 G CA -0.550 44.203 45.100 -0.578 0.000 0.784 55 G HN 0.706 nan 8.290 nan 0.000 0.482 56 L N -0.183 121.010 121.223 -0.050 0.000 2.464 56 L HA 0.793 5.133 4.340 -0.000 0.000 0.266 56 L C -1.285 175.648 176.870 0.106 0.000 0.965 56 L CA -0.643 54.186 54.840 -0.017 0.000 0.833 56 L CB 1.817 43.776 42.059 -0.166 0.000 1.296 56 L HN 0.508 nan 8.230 nan 0.000 0.405 57 I N 5.314 125.885 120.570 0.002 0.000 2.378 57 I HA 0.471 4.640 4.170 -0.000 0.000 0.291 57 I C -0.727 175.144 176.117 -0.410 0.000 0.992 57 I CA -0.937 60.242 61.300 -0.201 0.000 1.154 57 I CB 1.928 39.695 38.000 -0.388 0.000 1.315 57 I HN 0.265 nan 8.210 nan 0.000 0.448 58 V N 7.083 126.716 119.914 -0.469 0.000 2.350 58 V HA 0.382 4.502 4.120 -0.000 0.000 0.276 58 V C -0.304 175.306 176.094 -0.806 0.000 1.028 58 V CA -0.383 61.580 62.300 -0.561 0.000 0.860 58 V CB 0.874 32.373 31.823 -0.540 0.000 0.990 58 V HN 0.409 nan 8.190 nan 0.000 0.453 59 F N 3.887 123.550 119.950 -0.479 0.000 2.458 59 F HA 0.585 5.112 4.527 -0.000 0.000 0.330 59 F C 0.003 175.488 175.800 -0.526 0.000 1.082 59 F CA -0.634 57.103 58.000 -0.439 0.000 0.995 59 F CB 1.809 40.707 39.000 -0.170 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.686 123.807 119.950 0.284 0.000 2.334 60 F HA 0.258 4.785 4.527 -0.000 0.000 0.343 60 F C -1.538 174.403 175.800 0.234 0.000 1.136 60 F CA -1.771 56.368 58.000 0.231 0.000 1.237 60 F CB 0.216 39.353 39.000 0.228 0.000 1.525 60 F HN 0.281 nan 8.300 nan 0.000 0.528 61 P HA -0.197 nan 4.420 nan 0.000 0.217 61 P C 1.419 178.816 177.300 0.162 0.000 1.151 61 P CA 1.644 64.828 63.100 0.140 0.000 0.849 61 P CB 0.275 32.012 31.700 0.062 0.000 0.787 62 G N -1.882 107.040 108.800 0.202 0.000 3.284 62 G HA2 0.035 3.995 3.960 -0.000 0.000 0.236 62 G HA3 0.035 3.995 3.960 -0.000 0.000 0.236 62 G C -0.051 174.984 174.900 0.226 0.000 1.158 62 G CA -0.483 44.716 45.100 0.165 0.000 0.774 62 G HN 0.151 nan 8.290 nan 0.000 0.545 63 F N 3.181 123.253 119.950 0.204 0.000 2.590 63 F HA 0.205 4.732 4.527 -0.000 0.000 0.389 63 F C -1.391 174.540 175.800 0.218 0.000 1.049 63 F CA -2.210 55.911 58.000 0.201 0.000 1.199 63 F CB 0.961 40.088 39.000 0.211 0.000 1.058 63 F HN -0.019 nan 8.300 nan 0.000 0.556 64 P HA 0.305 nan 4.420 nan 0.000 0.231 64 P C -0.078 177.138 177.300 -0.141 0.000 1.811 64 P CA 0.370 63.368 63.100 -0.171 0.000 1.051 64 P CB 0.163 31.699 31.700 -0.273 0.000 1.951 65 G N 0.245 109.255 108.800 0.351 0.000 2.367 65 G HA2 0.026 3.986 3.960 -0.000 0.000 0.272 65 G HA3 0.026 3.986 3.960 -0.000 0.000 0.272 65 G C 0.291 175.496 174.900 0.509 0.000 1.271 65 G CA -0.323 44.984 45.100 0.346 0.000 0.893 65 G HN -0.057 nan 8.290 nan 0.000 0.485 66 S N -0.399 115.496 115.700 0.326 0.000 2.527 66 S HA 0.230 4.700 4.470 -0.000 0.000 0.222 66 S C 1.075 175.763 174.600 0.147 0.000 0.985 66 S CA 0.129 58.462 58.200 0.221 0.000 0.921 66 S CB -0.277 62.995 63.200 0.120 0.000 0.772 66 S HN 0.350 nan 8.310 nan 0.000 0.529 67 I N 1.673 122.196 120.570 -0.079 0.000 2.363 67 I HA 0.102 4.271 4.170 -0.000 0.000 0.292 67 I C 0.910 176.997 176.117 -0.051 0.000 1.075 67 I CA -0.173 60.940 61.300 -0.312 0.000 1.333 67 I CB 1.122 38.556 38.000 -0.942 0.000 1.415 67 I HN -0.041 nan 8.210 nan 0.000 0.502 68 V N 5.604 125.612 119.914 0.157 0.000 2.795 68 V HA 0.366 4.486 4.120 -0.000 0.000 0.243 68 V C 1.023 177.346 176.094 0.382 0.000 1.069 68 V CA 1.177 63.656 62.300 0.298 0.000 1.089 68 V CB 0.291 32.281 31.823 0.277 0.000 0.756 68 V HN 0.977 nan 8.190 nan 0.000 0.471 69 G N -1.259 107.671 108.800 0.218 0.000 2.341 69 G HA2 0.665 4.625 3.960 -0.000 0.000 0.299 69 G HA3 0.665 4.625 3.960 -0.000 0.000 0.299 69 G C -1.867 172.987 174.900 -0.075 0.000 1.274 69 G CA 0.127 45.196 45.100 -0.051 0.000 0.853 69 G HN 0.632 nan 8.290 nan 0.000 0.493 70 A N -0.573 122.112 122.820 -0.226 0.000 2.520 70 A HA 0.785 5.105 4.320 -0.000 0.000 0.298 70 A C -1.216 176.226 177.584 -0.236 0.000 1.051 70 A CA -0.448 51.508 52.037 -0.135 0.000 0.690 70 A CB 1.440 20.474 19.000 0.057 0.000 1.281 70 A HN 1.154 nan 8.150 nan 0.000 0.402 71 H N 1.112 119.917 119.070 -0.441 0.000 2.457 71 H HA 0.681 5.237 4.556 -0.000 0.000 0.335 71 H C -1.767 173.281 175.328 -0.466 0.000 1.115 71 H CA -0.335 55.505 56.048 -0.346 0.000 1.219 71 H CB 0.993 30.595 29.762 -0.266 0.000 1.471 71 H HN 0.622 nan 8.280 nan 0.000 0.491 72 Y N 1.627 121.710 120.300 -0.363 0.000 2.442 72 Y HA 0.183 4.733 4.550 -0.000 0.000 0.344 72 Y C 0.071 175.780 175.900 -0.318 0.000 0.976 72 Y CA -0.794 57.156 58.100 -0.249 0.000 1.040 72 Y CB 2.333 40.792 38.460 -0.002 0.000 1.228 72 Y HN 0.585 nan 8.280 nan 0.000 0.451 73 T N 0.622 115.149 114.554 -0.046 0.000 2.902 73 T HA 0.566 4.916 4.350 -0.000 0.000 0.283 73 T C -0.925 173.870 174.700 0.159 0.000 1.009 73 T CA -0.809 61.306 62.100 0.024 0.000 1.051 73 T CB 1.632 70.496 68.868 -0.007 0.000 0.999 73 T HN 0.421 nan 8.240 nan 0.000 0.474 74 L N 2.299 123.560 121.223 0.064 0.000 2.276 74 L HA 0.383 4.722 4.340 -0.000 0.000 0.286 74 L C 0.067 176.872 176.870 -0.108 0.000 1.061 74 L CA 0.030 54.783 54.840 -0.145 0.000 0.807 74 L CB 0.758 42.673 42.059 -0.241 0.000 1.177 74 L HN 0.722 nan 8.230 nan 0.000 0.429 75 Q N 1.771 121.489 119.800 -0.136 0.000 2.221 75 Q HA 0.252 4.592 4.340 -0.000 0.000 0.242 75 Q C 1.265 177.206 176.000 -0.098 0.000 0.940 75 Q CA 0.197 55.950 55.803 -0.084 0.000 0.896 75 Q CB 1.463 30.165 28.738 -0.060 0.000 1.226 75 Q HN 0.868 nan 8.270 nan 0.000 0.463 76 S N 0.932 116.594 115.700 -0.064 0.000 2.407 76 S HA -0.245 4.225 4.470 -0.000 0.000 0.235 76 S C 1.191 175.748 174.600 -0.072 0.000 1.036 76 S CA 1.886 60.049 58.200 -0.061 0.000 1.013 76 S CB -0.447 62.729 63.200 -0.040 0.000 0.820 76 S HN 0.816 nan 8.310 nan 0.000 0.476 77 N N 1.592 120.247 118.700 -0.075 0.000 2.521 77 N HA 0.218 4.958 4.740 -0.000 0.000 0.188 77 N C 1.237 176.683 175.510 -0.106 0.000 1.146 77 N CA 0.794 53.797 53.050 -0.077 0.000 0.893 77 N CB -0.708 37.740 38.487 -0.066 0.000 0.975 77 N HN 0.685 nan 8.380 nan 0.000 0.451 78 G N -1.091 107.623 108.800 -0.143 0.000 2.176 78 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.253 78 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.253 78 G C -0.367 174.367 174.900 -0.277 0.000 0.979 78 G CA 0.058 45.039 45.100 -0.198 0.000 0.641 78 G HN 0.500 nan 8.290 nan 0.000 0.530 79 N N -0.344 118.215 118.700 -0.235 0.000 2.489 79 N HA 0.613 5.352 4.740 -0.000 0.000 0.284 79 N C -0.326 175.024 175.510 -0.266 0.000 1.158 79 N CA -0.334 52.575 53.050 -0.235 0.000 0.965 79 N CB 0.700 39.113 38.487 -0.122 0.000 1.195 79 N HN 0.221 nan 8.380 nan 0.000 0.506 80 Y N 0.149 120.364 120.300 -0.141 0.000 2.354 80 Y HA 0.303 4.853 4.550 -0.000 0.000 0.322 80 Y C 0.829 176.747 175.900 0.030 0.000 1.253 80 Y CA -0.205 57.856 58.100 -0.065 0.000 1.272 80 Y CB 1.296 39.668 38.460 -0.148 0.000 1.255 80 Y HN 0.203 nan 8.280 nan 0.000 0.500 81 K N 2.674 123.275 120.400 0.335 0.000 2.507 81 K HA 0.267 4.587 4.320 -0.000 0.000 0.251 81 K C -1.580 175.229 176.600 0.348 0.000 0.943 81 K CA -0.767 55.683 56.287 0.273 0.000 0.794 81 K CB 0.992 33.567 32.500 0.126 0.000 1.188 81 K HN 0.541 nan 8.250 nan 0.000 0.428 82 F N 3.865 123.944 119.950 0.216 0.000 2.529 82 F HA 0.037 4.564 4.527 -0.000 0.000 0.365 82 F C 0.798 176.518 175.800 -0.133 0.000 1.102 82 F CA 0.454 58.425 58.000 -0.049 0.000 1.271 82 F CB 0.900 39.904 39.000 0.007 0.000 1.120 82 F HN 0.820 nan 8.300 nan 0.000 0.579 83 D N 2.440 122.241 120.400 -1.000 0.000 2.845 83 D HA 0.121 4.761 4.640 -0.000 0.000 0.272 83 D C -0.608 174.975 176.300 -1.196 0.000 1.275 83 D CA 0.993 54.521 54.000 -0.787 0.000 1.029 83 D CB 0.217 40.750 40.800 -0.445 0.000 1.131 83 D HN 0.692 nan 8.370 nan 0.000 0.423 84 Q N -1.183 117.878 119.800 -1.231 0.000 2.687 84 Q HA 0.342 4.682 4.340 -0.000 0.000 0.295 84 Q C -1.124 174.671 176.000 -0.342 0.000 0.920 84 Q CA -1.023 54.303 55.803 -0.794 0.000 0.766 84 Q CB 1.124 29.677 28.738 -0.309 0.000 1.467 84 Q HN -0.041 nan 8.270 nan 0.000 0.415 85 M N 1.347 120.944 119.600 -0.005 0.000 2.247 85 M HA 0.449 4.929 4.480 -0.000 0.000 0.326 85 M C -0.607 175.563 176.300 -0.217 0.000 1.134 85 M CA -0.248 55.065 55.300 0.021 0.000 1.136 85 M CB 0.327 32.992 32.600 0.108 0.000 1.454 85 M HN 0.628 nan 8.290 nan 0.000 0.467 86 L N 3.801 124.865 121.223 -0.266 0.000 2.319 86 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 86 L C -0.554 176.274 176.870 -0.070 0.000 1.005 86 L CA -0.357 54.144 54.840 -0.565 0.000 0.828 86 L CB 1.073 42.834 42.059 -0.496 0.000 1.227 86 L HN 0.596 nan 8.230 nan 0.000 0.415 87 L N 1.191 122.518 121.223 0.174 0.000 2.216 87 L HA 0.665 5.005 4.340 -0.000 0.000 0.260 87 L C 0.641 177.702 176.870 0.319 0.000 1.036 87 L CA -0.813 54.169 54.840 0.237 0.000 0.914 87 L CB 1.898 44.081 42.059 0.207 0.000 1.501 87 L HN 0.541 nan 8.230 nan 0.000 0.485 88 T N -2.710 111.988 114.554 0.240 0.000 2.847 88 T HA 0.432 4.782 4.350 -0.000 0.000 0.279 88 T C 1.014 175.810 174.700 0.160 0.000 0.984 88 T CA -0.085 62.149 62.100 0.222 0.000 0.988 88 T CB 1.465 70.474 68.868 0.234 0.000 1.040 88 T HN 0.623 nan 8.240 nan 0.000 0.528 89 A N 0.811 123.702 122.820 0.119 0.000 1.892 89 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 89 A C 1.289 178.914 177.584 0.068 0.000 1.188 89 A CA 1.635 53.712 52.037 0.066 0.000 0.631 89 A CB -0.915 18.117 19.000 0.053 0.000 0.822 89 A HN 0.985 nan 8.150 nan 0.000 0.447 90 Q N -1.579 118.271 119.800 0.084 0.000 2.416 90 Q HA 0.520 4.860 4.340 -0.000 0.000 0.279 90 Q C -1.003 175.042 176.000 0.076 0.000 1.101 90 Q CA -0.982 54.864 55.803 0.071 0.000 0.830 90 Q CB 0.744 29.523 28.738 0.069 0.000 1.402 90 Q HN 0.157 nan 8.270 nan 0.000 0.445 91 N N 1.388 120.126 118.700 0.062 0.000 2.415 91 N HA 0.130 4.870 4.740 -0.000 0.000 0.250 91 N C 0.442 175.986 175.510 0.056 0.000 1.127 91 N CA -0.044 53.040 53.050 0.057 0.000 0.945 91 N CB 0.307 38.821 38.487 0.045 0.000 1.196 91 N HN 0.788 nan 8.380 nan 0.000 0.499 92 L N 4.312 125.564 121.223 0.049 0.000 2.043 92 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 92 L C -0.647 176.283 176.870 0.100 0.000 1.075 92 L CA 1.351 56.237 54.840 0.078 0.000 0.752 92 L CB -1.247 40.759 42.059 -0.089 0.000 0.891 92 L HN 0.501 nan 8.230 nan 0.000 0.432 93 P HA -0.165 nan 4.420 nan 0.000 0.223 93 P C 1.140 178.442 177.300 0.002 0.000 1.144 93 P CA 1.459 64.572 63.100 0.021 0.000 0.783 93 P CB -0.009 31.697 31.700 0.011 0.000 0.771 94 A N -1.302 121.519 122.820 0.002 0.000 2.119 94 A HA -0.001 4.318 4.320 -0.000 0.000 0.216 94 A C 1.936 179.473 177.584 -0.078 0.000 1.152 94 A CA 1.493 53.514 52.037 -0.027 0.000 0.708 94 A CB -0.511 18.480 19.000 -0.016 0.000 0.805 94 A HN 0.167 nan 8.150 nan 0.000 0.460 95 S N -2.536 113.092 115.700 -0.120 0.000 2.589 95 S HA 0.355 4.825 4.470 -0.000 0.000 0.235 95 S C -0.307 173.951 174.600 -0.570 0.000 1.051 95 S CA -0.272 57.708 58.200 -0.366 0.000 0.978 95 S CB 0.062 62.956 63.200 -0.509 0.000 0.929 95 S HN 0.493 nan 8.310 nan 0.000 0.523 96 Y N 1.002 121.285 120.300 -0.029 0.000 2.570 96 Y HA 0.532 5.082 4.550 -0.000 0.000 0.345 96 Y C 0.653 176.524 175.900 -0.049 0.000 1.014 96 Y CA -1.151 56.938 58.100 -0.019 0.000 1.063 96 Y CB 1.042 39.492 38.460 -0.015 0.000 1.272 96 Y HN -0.165 nan 8.280 nan 0.000 0.477 97 N N -0.240 118.535 118.700 0.126 0.000 2.348 97 N HA 0.104 4.844 4.740 -0.000 0.000 0.183 97 N C -1.251 174.071 175.510 -0.314 0.000 1.094 97 N CA 0.392 53.382 53.050 -0.100 0.000 0.885 97 N CB 0.534 38.963 38.487 -0.097 0.000 1.065 97 N HN 0.523 nan 8.380 nan 0.000 0.472 98 Y N -1.012 119.348 120.300 0.099 0.000 2.553 98 Y HA 0.544 5.094 4.550 -0.000 0.000 0.347 98 Y C -0.217 175.777 175.900 0.157 0.000 1.019 98 Y CA -1.218 56.950 58.100 0.115 0.000 1.032 98 Y CB 2.129 40.667 38.460 0.129 0.000 1.284 98 Y HN -0.107 nan 8.280 nan 0.000 0.466 99 C N 2.220 121.716 119.300 0.326 0.000 3.285 99 C HA 0.859 5.319 4.460 -0.000 0.000 0.325 99 C C -1.776 173.206 174.990 -0.013 0.000 1.304 99 C CA -0.708 58.398 59.018 0.146 0.000 1.319 99 C CB 1.913 29.644 27.740 -0.014 0.000 1.640 99 C HN 1.026 nan 8.230 nan 0.000 0.477 100 R N 2.318 122.778 120.500 -0.066 0.000 2.604 100 R HA 0.675 5.014 4.340 -0.000 0.000 0.281 100 R C -1.659 174.680 176.300 0.065 0.000 1.020 100 R CA -0.668 55.344 56.100 -0.146 0.000 0.899 100 R CB 1.782 31.751 30.300 -0.551 0.000 1.205 100 R HN 0.790 nan 8.270 nan 0.000 0.450 101 L N 4.620 125.899 121.223 0.094 0.000 2.331 101 L HA 0.246 4.586 4.340 -0.000 0.000 0.278 101 L C 0.034 176.913 176.870 0.015 0.000 1.106 101 L CA 0.444 55.304 54.840 0.033 0.000 0.824 101 L CB 1.643 43.733 42.059 0.051 0.000 1.142 101 L HN 0.620 nan 8.230 nan 0.000 0.443 102 V N 2.594 122.476 119.914 -0.052 0.000 2.521 102 V HA 0.282 4.402 4.120 -0.000 0.000 0.239 102 V C 0.664 176.798 176.094 0.067 0.000 1.053 102 V CA 1.127 63.470 62.300 0.070 0.000 1.073 102 V CB -0.040 31.816 31.823 0.056 0.000 0.746 102 V HN 0.935 nan 8.190 nan 0.000 0.476 103 S N -0.223 115.428 115.700 -0.080 0.000 2.587 103 S HA 0.777 5.247 4.470 -0.000 0.000 0.269 103 S C -0.888 173.621 174.600 -0.152 0.000 1.154 103 S CA -0.883 57.263 58.200 -0.090 0.000 0.824 103 S CB 2.935 66.067 63.200 -0.114 0.000 1.118 103 S HN 0.519 nan 8.310 nan 0.000 0.462 104 R N 0.137 120.566 120.500 -0.119 0.000 2.604 104 R HA 0.678 5.017 4.340 -0.000 0.000 0.261 104 R C -1.905 174.311 176.300 -0.140 0.000 1.080 104 R CA -0.050 55.969 56.100 -0.134 0.000 0.917 104 R CB 1.581 31.806 30.300 -0.124 0.000 1.252 104 R HN 1.379 nan 8.270 nan 0.000 0.456 105 S N 3.521 119.125 115.700 -0.161 0.000 2.537 105 S HA 0.745 5.215 4.470 -0.000 0.000 0.270 105 S C -1.338 173.126 174.600 -0.226 0.000 1.142 105 S CA -0.865 57.203 58.200 -0.221 0.000 0.870 105 S CB 1.658 64.709 63.200 -0.247 0.000 1.112 105 S HN 0.464 nan 8.310 nan 0.000 0.466 106 L N 1.767 122.813 121.223 -0.295 0.000 2.445 106 L HA 0.781 5.121 4.340 -0.000 0.000 0.262 106 L C -0.290 176.456 176.870 -0.208 0.000 0.974 106 L CA -0.712 53.969 54.840 -0.266 0.000 0.822 106 L CB 2.787 44.552 42.059 -0.491 0.000 1.339 106 L HN 0.992 nan 8.230 nan 0.000 0.409 107 T N -0.892 113.603 114.554 -0.099 0.000 2.885 107 T HA 0.836 5.185 4.350 -0.000 0.000 0.285 107 T C -0.729 173.986 174.700 0.025 0.000 1.019 107 T CA -0.825 61.246 62.100 -0.049 0.000 1.010 107 T CB 2.044 70.893 68.868 -0.031 0.000 1.022 107 T HN 0.243 nan 8.240 nan 0.000 0.466 108 V N 3.498 123.444 119.914 0.054 0.000 2.482 108 V HA 0.761 4.881 4.120 -0.000 0.000 0.295 108 V C -0.201 175.924 176.094 0.052 0.000 1.026 108 V CA -0.883 61.467 62.300 0.083 0.000 0.856 108 V CB 1.265 33.181 31.823 0.154 0.000 1.001 108 V HN 1.183 nan 8.190 nan 0.000 0.424 109 R N 2.167 122.680 120.500 0.022 0.000 2.692 109 R HA 0.679 5.019 4.340 -0.000 0.000 0.269 109 R C -1.036 175.249 176.300 -0.025 0.000 1.030 109 R CA -0.589 55.515 56.100 0.008 0.000 0.882 109 R CB 1.815 32.126 30.300 0.017 0.000 1.250 109 R HN 0.454 nan 8.270 nan 0.000 0.465 110 S N -0.016 115.663 115.700 -0.034 0.000 2.548 110 S HA 0.164 4.634 4.470 -0.000 0.000 0.277 110 S C 0.638 175.220 174.600 -0.029 0.000 1.315 110 S CA 0.014 58.183 58.200 -0.053 0.000 1.050 110 S CB 0.747 63.914 63.200 -0.053 0.000 0.918 110 S HN 0.663 nan 8.310 nan 0.000 0.497 111 S N 2.405 118.086 115.700 -0.032 0.000 2.666 111 S HA 0.303 4.772 4.470 -0.000 0.000 0.239 111 S C 0.473 175.062 174.600 -0.019 0.000 1.031 111 S CA -0.409 57.779 58.200 -0.020 0.000 1.015 111 S CB 0.436 63.625 63.200 -0.018 0.000 0.981 111 S HN 0.560 nan 8.310 nan 0.000 0.547 112 T N 1.273 115.813 114.554 -0.024 0.000 2.841 112 T HA 0.730 5.079 4.350 -0.000 0.000 0.296 112 T C -2.490 172.199 174.700 -0.018 0.000 1.166 112 T CA -0.446 61.643 62.100 -0.019 0.000 1.007 112 T CB 1.705 70.561 68.868 -0.019 0.000 1.253 112 T HN 0.143 nan 8.240 nan 0.000 0.511 113 L N 4.118 125.334 121.223 -0.012 0.000 2.680 113 L HA 0.519 4.859 4.340 -0.000 0.000 0.260 113 L C -2.024 174.842 176.870 -0.006 0.000 0.975 113 L CA -1.149 53.685 54.840 -0.009 0.000 0.920 113 L CB 1.059 43.114 42.059 -0.006 0.000 1.234 113 L HN 0.613 nan 8.230 nan 0.000 0.429 121 N N 2.098 120.804 118.700 0.010 0.000 2.616 121 N HA 0.743 5.483 4.740 -0.000 0.000 0.281 121 N C -0.326 175.194 175.510 0.016 0.000 1.145 121 N CA -0.278 52.778 53.050 0.010 0.000 0.919 121 N CB 2.324 40.813 38.487 0.004 0.000 1.509 121 N HN 1.327 nan 8.380 nan 0.000 0.537 122 G N 0.811 109.624 108.800 0.022 0.000 2.617 122 G HA2 0.218 4.178 3.960 -0.000 0.000 0.686 122 G HA3 0.218 4.178 3.960 -0.000 0.000 0.686 122 G C -0.680 174.261 174.900 0.068 0.000 1.214 122 G CA -0.490 44.634 45.100 0.040 0.000 0.796 122 G HN 1.193 nan 8.290 nan 0.000 0.654 123 T N -1.636 112.978 114.554 0.099 0.000 2.896 123 T HA 0.813 5.163 4.350 -0.000 0.000 0.297 123 T C -0.266 174.628 174.700 0.323 0.000 1.108 123 T CA -0.840 61.366 62.100 0.177 0.000 1.004 123 T CB 2.110 71.088 68.868 0.183 0.000 1.159 123 T HN 1.075 nan 8.240 nan 0.000 0.499 124 I N 1.873 122.633 120.570 0.316 0.000 2.569 124 I HA 0.514 4.684 4.170 -0.000 0.000 0.296 124 I C -0.751 175.469 176.117 0.172 0.000 1.028 124 I CA -1.063 60.431 61.300 0.323 0.000 1.082 124 I CB 2.161 40.291 38.000 0.217 0.000 1.264 124 I HN 0.562 nan 8.210 nan 0.000 0.429 125 N N 3.693 122.380 118.700 -0.021 0.000 2.284 125 N HA 0.809 5.549 4.740 -0.000 0.000 0.300 125 N C -1.299 174.142 175.510 -0.116 0.000 1.047 125 N CA -0.462 52.444 53.050 -0.240 0.000 0.821 125 N CB 2.383 40.427 38.487 -0.738 0.000 1.337 125 N HN 0.741 nan 8.380 nan 0.000 0.482 126 A N 0.833 123.611 122.820 -0.069 0.000 2.515 126 A HA 0.821 5.141 4.320 -0.000 0.000 0.298 126 A C -1.337 176.225 177.584 -0.036 0.000 1.059 126 A CA -0.654 51.368 52.037 -0.024 0.000 0.698 126 A CB 1.546 20.566 19.000 0.033 0.000 1.289 126 A HN 0.416 nan 8.150 nan 0.000 0.404 127 V N 0.524 120.427 119.914 -0.020 0.000 3.120 127 V HA 0.732 4.852 4.120 -0.000 0.000 0.303 127 V C -0.888 175.224 176.094 0.030 0.000 1.238 127 V CA -0.252 62.042 62.300 -0.009 0.000 1.008 127 V CB 2.701 34.512 31.823 -0.020 0.000 1.064 127 V HN 1.034 nan 8.190 nan 0.000 0.434 128 T N 5.827 120.404 114.554 0.038 0.000 2.756 128 T HA 0.503 4.853 4.350 -0.000 0.000 0.290 128 T C -0.939 173.840 174.700 0.133 0.000 0.985 128 T CA 0.032 62.172 62.100 0.066 0.000 0.955 128 T CB 0.662 69.539 68.868 0.015 0.000 0.930 128 T HN 0.501 nan 8.240 nan 0.000 0.451 129 F N 2.838 122.775 119.950 -0.022 0.000 2.420 129 F HA 0.319 4.846 4.527 -0.000 0.000 0.342 129 F C 1.177 176.974 175.800 -0.005 0.000 1.113 129 F CA -0.944 57.046 58.000 -0.017 0.000 1.059 129 F CB 1.366 40.356 39.000 -0.017 0.000 1.128 129 F HN 0.498 nan 8.300 nan 0.000 0.475 130 Q N 4.051 123.504 119.800 -0.579 0.000 2.431 130 Q HA 0.181 4.521 4.340 -0.000 0.000 0.210 130 Q C 0.584 176.160 176.000 -0.707 0.000 0.958 130 Q CA 0.293 55.789 55.803 -0.512 0.000 0.957 130 Q CB 0.190 28.728 28.738 -0.334 0.000 1.007 130 Q HN 0.893 nan 8.270 nan 0.000 0.511 131 G N 0.149 108.167 108.800 -1.302 0.000 3.209 131 G HA2 0.440 4.400 3.960 -0.000 0.000 0.236 131 G HA3 0.440 4.400 3.960 -0.000 0.000 0.236 131 G C -0.572 174.323 174.900 -0.007 0.000 1.329 131 G CA -0.480 44.251 45.100 -0.614 0.000 1.015 131 G HN 0.203 nan 8.290 nan 0.000 0.571 132 S N -1.058 114.781 115.700 0.231 0.000 2.745 132 S HA 0.393 4.863 4.470 -0.000 0.000 0.292 132 S C 1.279 176.099 174.600 0.366 0.000 1.133 132 S CA -0.543 57.833 58.200 0.293 0.000 0.998 132 S CB 1.507 64.836 63.200 0.216 0.000 1.087 132 S HN 0.575 nan 8.310 nan 0.000 0.551 133 L N 1.800 123.174 121.223 0.251 0.000 1.997 133 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 133 L C 2.543 179.464 176.870 0.085 0.000 1.074 133 L CA 2.771 57.669 54.840 0.097 0.000 0.763 133 L CB -1.315 40.758 42.059 0.024 0.000 0.890 133 L HN 0.992 nan 8.230 nan 0.000 0.434 134 S N -1.875 113.906 115.700 0.135 0.000 2.555 134 S HA -0.096 4.373 4.470 -0.000 0.000 0.230 134 S C 1.500 176.172 174.600 0.119 0.000 0.978 134 S CA 0.883 59.156 58.200 0.123 0.000 0.934 134 S CB -0.648 62.611 63.200 0.097 0.000 0.766 134 S HN 0.690 nan 8.310 nan 0.000 0.533 135 E N 0.502 120.817 120.200 0.191 0.000 2.442 135 E HA 0.226 4.576 4.350 -0.000 0.000 0.195 135 E C -0.106 176.580 176.600 0.144 0.000 1.030 135 E CA -0.199 56.349 56.400 0.246 0.000 0.869 135 E CB -0.037 29.901 29.700 0.396 0.000 0.857 135 E HN 0.541 nan 8.360 nan 0.000 0.505 136 L N 1.737 122.867 121.223 -0.155 0.000 2.453 136 L HA -0.015 4.325 4.340 -0.000 0.000 0.272 136 L C 1.775 178.539 176.870 -0.175 0.000 1.182 136 L CA 0.206 54.751 54.840 -0.492 0.000 0.858 136 L CB 0.711 42.430 42.059 -0.567 0.000 1.120 136 L HN 0.129 nan 8.230 nan 0.000 0.474 137 T N -2.796 111.668 114.554 -0.150 0.000 3.057 137 T HA 0.042 4.392 4.350 -0.000 0.000 0.254 137 T C 0.279 174.944 174.700 -0.057 0.000 1.094 137 T CA 0.037 62.102 62.100 -0.058 0.000 1.088 137 T CB 0.162 69.019 68.868 -0.018 0.000 0.934 137 T HN 0.553 nan 8.240 nan 0.000 0.497 138 D N 0.906 121.254 120.400 -0.087 0.000 2.891 138 D HA 0.226 4.866 4.640 -0.000 0.000 0.224 138 D C 0.030 176.298 176.300 -0.052 0.000 1.321 138 D CA -0.596 53.373 54.000 -0.051 0.000 0.929 138 D CB 2.243 43.018 40.800 -0.042 0.000 1.551 138 D HN 0.098 nan 8.370 nan 0.000 0.574 139 V N 1.645 121.567 119.914 0.014 0.000 3.121 139 V HA 0.344 4.463 4.120 -0.000 0.000 0.344 139 V C 0.618 176.795 176.094 0.138 0.000 1.390 139 V CA -0.003 62.334 62.300 0.062 0.000 1.177 139 V CB -0.424 31.502 31.823 0.172 0.000 1.163 139 V HN 0.432 nan 8.190 nan 0.000 0.484 140 S N -0.827 114.924 115.700 0.085 0.000 2.614 140 S HA 0.335 4.805 4.470 -0.000 0.000 0.265 140 S C 0.812 175.477 174.600 0.108 0.000 1.303 140 S CA 0.183 58.447 58.200 0.106 0.000 1.000 140 S CB 0.831 64.066 63.200 0.059 0.000 0.935 140 S HN 0.483 nan 8.310 nan 0.000 0.551 141 Y N 2.239 122.554 120.300 0.026 0.000 2.114 141 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 141 Y C 2.079 177.986 175.900 0.011 0.000 1.165 141 Y CA 2.487 60.597 58.100 0.017 0.000 1.148 141 Y CB -0.392 38.073 38.460 0.008 0.000 0.972 141 Y HN 0.704 nan 8.280 nan 0.000 0.504 142 N N -0.327 118.437 118.700 0.107 0.000 2.395 142 N HA -0.030 4.710 4.740 -0.000 0.000 0.175 142 N C 1.991 177.480 175.510 -0.035 0.000 1.029 142 N CA 0.959 54.013 53.050 0.007 0.000 0.897 142 N CB -0.566 37.982 38.487 0.102 0.000 0.991 142 N HN 0.533 nan 8.380 nan 0.000 0.441 143 G N 2.058 110.850 108.800 -0.013 0.000 2.450 143 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 143 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 143 G C 1.641 176.506 174.900 -0.058 0.000 1.130 143 G CA 0.299 45.383 45.100 -0.027 0.000 0.760 143 G HN 0.212 nan 8.290 nan 0.000 0.557 144 L N 0.136 121.308 121.223 -0.085 0.000 2.129 144 L HA -0.138 4.201 4.340 -0.000 0.000 0.212 144 L C 2.848 179.665 176.870 -0.088 0.000 1.087 144 L CA 0.711 55.488 54.840 -0.105 0.000 0.757 144 L CB -0.491 41.488 42.059 -0.133 0.000 0.896 144 L HN 0.179 nan 8.230 nan 0.000 0.434 145 M N -0.958 118.586 119.600 -0.093 0.000 2.435 145 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 145 M C 1.953 178.230 176.300 -0.038 0.000 1.065 145 M CA 1.281 56.539 55.300 -0.070 0.000 1.076 145 M CB -1.109 31.449 32.600 -0.070 0.000 1.403 145 M HN 0.118 nan 8.290 nan 0.000 0.454 146 S N -0.245 115.437 115.700 -0.030 0.000 2.540 146 S HA 0.302 4.772 4.470 -0.000 0.000 0.218 146 S C 1.859 176.468 174.600 0.015 0.000 0.977 146 S CA 0.374 58.569 58.200 -0.008 0.000 0.918 146 S CB 0.155 63.350 63.200 -0.008 0.000 0.806 146 S HN 0.506 nan 8.310 nan 0.000 0.496 147 A N 1.374 124.201 122.820 0.012 0.000 2.032 147 A HA -0.019 4.301 4.320 -0.000 0.000 0.221 147 A C 1.363 179.059 177.584 0.187 0.000 1.165 147 A CA 1.609 53.692 52.037 0.077 0.000 0.645 147 A CB -0.215 18.794 19.000 0.016 0.000 0.807 147 A HN 0.419 nan 8.150 nan 0.000 0.453 148 T N -4.175 110.439 114.554 0.100 0.000 2.883 148 T HA 0.565 4.915 4.350 -0.000 0.000 0.301 148 T C 0.395 175.109 174.700 0.023 0.000 1.158 148 T CA 0.098 62.241 62.100 0.070 0.000 1.007 148 T CB 1.714 70.613 68.868 0.052 0.000 1.186 148 T HN 0.465 nan 8.240 nan 0.000 0.499 149 A N 2.643 125.467 122.820 0.007 0.000 2.195 149 A HA 0.300 4.620 4.320 -0.000 0.000 0.210 149 A C 0.695 178.266 177.584 -0.022 0.000 1.165 149 A CA -0.027 52.005 52.037 -0.007 0.000 0.806 149 A CB -0.269 18.726 19.000 -0.008 0.000 0.847 149 A HN 0.736 nan 8.150 nan 0.000 0.482 150 N N 0.952 119.634 118.700 -0.029 0.000 2.438 150 N HA 0.058 4.797 4.740 -0.000 0.000 0.267 150 N C 0.611 176.087 175.510 -0.058 0.000 1.222 150 N CA -0.160 52.862 53.050 -0.047 0.000 0.930 150 N CB 0.963 39.416 38.487 -0.056 0.000 1.083 150 N HN 0.221 nan 8.380 nan 0.000 0.476 151 I N 2.262 122.795 120.570 -0.061 0.000 2.454 151 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 151 I C 1.073 177.124 176.117 -0.109 0.000 1.156 151 I CA 1.222 62.479 61.300 -0.071 0.000 1.433 151 I CB -0.168 37.795 38.000 -0.061 0.000 1.082 151 I HN 0.393 nan 8.210 nan 0.000 0.432 152 N N 0.584 119.205 118.700 -0.131 0.000 2.383 152 N HA 0.003 4.743 4.740 -0.000 0.000 0.192 152 N C 0.193 175.578 175.510 -0.207 0.000 1.141 152 N CA 0.435 53.363 53.050 -0.204 0.000 0.851 152 N CB 0.008 38.364 38.487 -0.217 0.000 0.976 152 N HN 0.431 nan 8.380 nan 0.000 0.465 153 D N 0.188 120.506 120.400 -0.136 0.000 2.535 153 D HA 0.075 4.715 4.640 -0.000 0.000 0.229 153 D C 0.135 176.390 176.300 -0.075 0.000 1.238 153 D CA 0.154 54.091 54.000 -0.105 0.000 0.824 153 D CB 0.940 41.700 40.800 -0.067 0.000 1.045 153 D HN 0.389 nan 8.370 nan 0.000 0.500 154 K N -0.042 120.305 120.400 -0.088 0.000 2.508 154 K HA 0.689 5.009 4.320 -0.000 0.000 0.260 154 K C -1.470 175.086 176.600 -0.073 0.000 0.949 154 K CA -0.913 55.334 56.287 -0.066 0.000 0.834 154 K CB 2.756 35.224 32.500 -0.053 0.000 1.365 154 K HN -0.151 nan 8.250 nan 0.000 0.437 155 I N 0.429 120.966 120.570 -0.055 0.000 2.710 155 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 155 I C -1.408 174.692 176.117 -0.029 0.000 1.318 155 I CA 0.053 61.332 61.300 -0.035 0.000 1.045 155 I CB 2.347 40.339 38.000 -0.014 0.000 1.307 155 I HN 0.884 nan 8.210 nan 0.000 0.424 156 G N 4.187 112.979 108.800 -0.014 0.000 2.495 156 G HA2 0.437 4.397 3.960 -0.000 0.000 0.318 156 G HA3 0.437 4.397 3.960 -0.000 0.000 0.318 156 G C -0.496 174.429 174.900 0.042 0.000 1.257 156 G CA -0.584 44.509 45.100 -0.012 0.000 0.962 156 G HN 0.683 nan 8.290 nan 0.000 0.483 157 N N -0.661 118.089 118.700 0.084 0.000 2.714 157 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 157 N C 0.327 175.910 175.510 0.122 0.000 1.014 157 N CA 0.684 53.825 53.050 0.151 0.000 0.735 157 N CB -0.947 37.623 38.487 0.138 0.000 0.924 157 N HN 0.398 nan 8.380 nan 0.000 0.540 158 V N 0.932 120.917 119.914 0.118 0.000 2.686 158 V HA 0.147 4.267 4.120 -0.000 0.000 0.295 158 V C 1.369 177.529 176.094 0.110 0.000 1.055 158 V CA -0.581 61.782 62.300 0.104 0.000 1.050 158 V CB 1.088 32.971 31.823 0.101 0.000 0.984 158 V HN 0.160 nan 8.190 nan 0.000 0.482 159 L N 4.895 126.171 121.223 0.088 0.000 2.455 159 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 159 L C 1.521 178.435 176.870 0.074 0.000 1.174 159 L CA -0.268 54.618 54.840 0.077 0.000 0.869 159 L CB 0.694 42.788 42.059 0.058 0.000 1.130 159 L HN 0.717 nan 8.230 nan 0.000 0.474 160 V N 0.723 120.680 119.914 0.071 0.000 2.469 160 V HA -0.190 3.929 4.120 -0.000 0.000 0.251 160 V C 2.124 178.236 176.094 0.030 0.000 1.064 160 V CA 1.972 64.304 62.300 0.053 0.000 1.066 160 V CB -1.401 30.436 31.823 0.023 0.000 0.667 160 V HN 1.030 nan 8.190 nan 0.000 0.461 161 G N 0.153 108.969 108.800 0.027 0.000 2.422 161 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 161 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 161 G C 1.468 176.384 174.900 0.026 0.000 1.140 161 G CA 0.854 45.966 45.100 0.019 0.000 0.775 161 G HN 0.653 nan 8.290 nan 0.000 0.545 162 E N -0.180 120.043 120.200 0.039 0.000 2.086 162 E HA 0.309 4.659 4.350 -0.000 0.000 0.190 162 E C 1.430 178.060 176.600 0.050 0.000 0.975 162 E CA 0.261 56.688 56.400 0.045 0.000 0.813 162 E CB 0.018 29.750 29.700 0.054 0.000 0.768 162 E HN 0.448 nan 8.360 nan 0.000 0.457 163 G N 0.679 109.514 108.800 0.058 0.000 2.707 163 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.686 163 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.686 163 G C -0.907 174.040 174.900 0.078 0.000 1.315 163 G CA -0.421 44.716 45.100 0.062 0.000 0.832 163 G HN 0.176 nan 8.290 nan 0.000 0.573 164 V N 0.297 120.258 119.914 0.078 0.000 2.914 164 V HA 0.873 4.993 4.120 -0.000 0.000 0.314 164 V C 0.275 176.394 176.094 0.041 0.000 1.084 164 V CA -0.015 62.337 62.300 0.087 0.000 0.963 164 V CB 2.485 34.370 31.823 0.103 0.000 1.025 164 V HN 1.265 nan 8.190 nan 0.000 0.432 165 T N 3.771 118.337 114.554 0.020 0.000 2.812 165 T HA 0.522 4.872 4.350 -0.000 0.000 0.282 165 T C -0.711 173.934 174.700 -0.092 0.000 0.990 165 T CA -0.295 61.720 62.100 -0.142 0.000 0.960 165 T CB 1.499 70.096 68.868 -0.452 0.000 0.948 165 T HN 0.376 nan 8.240 nan 0.000 0.438 166 V N 4.701 124.512 119.914 -0.171 0.000 2.383 166 V HA 0.471 4.591 4.120 -0.000 0.000 0.275 166 V C -0.404 175.568 176.094 -0.203 0.000 1.036 166 V CA -0.731 61.480 62.300 -0.150 0.000 0.889 166 V CB 1.186 32.844 31.823 -0.273 0.000 0.985 166 V HN 0.625 nan 8.190 nan 0.000 0.459 167 L N 5.007 126.179 121.223 -0.086 0.000 2.333 167 L HA 0.581 4.921 4.340 -0.000 0.000 0.280 167 L C 0.184 177.027 176.870 -0.045 0.000 1.004 167 L CA 0.248 55.034 54.840 -0.090 0.000 0.820 167 L CB 1.947 44.032 42.059 0.044 0.000 1.247 167 L HN 0.615 nan 8.230 nan 0.000 0.416 168 S N 5.693 121.355 115.700 -0.063 0.000 2.474 168 S HA 0.568 5.038 4.470 -0.000 0.000 0.276 168 S C -0.417 174.180 174.600 -0.006 0.000 1.227 168 S CA -0.480 57.701 58.200 -0.031 0.000 1.050 168 S CB -0.215 62.966 63.200 -0.033 0.000 0.939 168 S HN 0.593 nan 8.310 nan 0.000 0.490 169 L N 6.613 127.832 121.223 -0.007 0.000 2.334 169 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 169 L C -1.732 175.117 176.870 -0.034 0.000 1.013 169 L CA -2.372 52.466 54.840 -0.003 0.000 0.816 169 L CB 1.587 43.636 42.059 -0.017 0.000 1.278 169 L HN 0.538 nan 8.230 nan 0.000 0.431 170 P HA 0.019 nan 4.420 nan 0.000 0.266 170 P C -0.419 176.737 177.300 -0.240 0.000 1.193 170 P CA -0.035 62.932 63.100 -0.220 0.000 0.770 170 P CB 0.480 31.854 31.700 -0.545 0.000 0.836 171 T N -1.952 112.449 114.554 -0.256 0.000 3.466 171 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 171 T C -0.182 174.353 174.700 -0.276 0.000 1.640 171 T CA -0.616 61.355 62.100 -0.215 0.000 1.631 171 T CB -0.770 68.010 68.868 -0.146 0.000 0.928 171 T HN 0.710 nan 8.240 nan 0.000 0.688 172 S N 0.556 116.040 115.700 -0.359 0.000 3.054 172 S HA -0.084 4.385 4.470 -0.000 0.000 0.850 172 S C -1.091 173.243 174.600 -0.444 0.000 0.982 172 S CA -0.746 57.249 58.200 -0.340 0.000 1.324 172 S CB -0.896 62.164 63.200 -0.232 0.000 0.940 172 S HN 0.696 nan 8.310 nan 0.000 0.242 173 Y N 1.349 121.605 120.300 -0.072 0.000 2.730 173 Y HA 0.488 5.038 4.550 -0.000 0.000 0.325 173 Y C 1.020 176.876 175.900 -0.074 0.000 1.132 173 Y CA -0.418 57.637 58.100 -0.075 0.000 1.206 173 Y CB 0.850 39.265 38.460 -0.075 0.000 1.390 173 Y HN 0.830 nan 8.280 nan 0.000 0.555 174 D N 0.805 121.293 120.400 0.146 0.000 2.870 174 D HA -0.182 4.458 4.640 -0.000 0.000 0.228 174 D C -1.002 175.323 176.300 0.040 0.000 1.147 174 D CA 0.749 54.786 54.000 0.063 0.000 0.757 174 D CB -1.039 39.790 40.800 0.048 0.000 1.091 174 D HN 0.276 nan 8.370 nan 0.000 0.429 175 L N -0.023 121.221 121.223 0.034 0.000 2.436 175 L HA 0.439 4.779 4.340 -0.000 0.000 0.265 175 L C 1.802 178.741 176.870 0.116 0.000 1.168 175 L CA 0.006 54.854 54.840 0.013 0.000 0.815 175 L CB 0.863 42.885 42.059 -0.061 0.000 1.109 175 L HN 0.032 nan 8.230 nan 0.000 0.462 176 G N 0.305 109.242 108.800 0.229 0.000 2.537 176 G HA2 0.259 4.218 3.960 -0.000 0.000 0.273 176 G HA3 0.259 4.218 3.960 -0.000 0.000 0.273 176 G C -0.979 174.060 174.900 0.231 0.000 1.189 176 G CA -0.354 44.892 45.100 0.243 0.000 0.881 176 G HN 0.316 nan 8.290 nan 0.000 0.535 177 Y N -0.841 119.513 120.300 0.089 0.000 2.397 177 Y HA 0.295 4.845 4.550 -0.000 0.000 0.335 177 Y C 0.850 176.802 175.900 0.086 0.000 1.213 177 Y CA 0.064 58.213 58.100 0.081 0.000 1.391 177 Y CB 1.171 39.656 38.460 0.041 0.000 1.293 177 Y HN 0.166 nan 8.280 nan 0.000 0.557 178 V N 4.089 124.060 119.914 0.095 0.000 2.483 178 V HA 0.394 4.514 4.120 -0.000 0.000 0.295 178 V C -0.067 176.022 176.094 -0.008 0.000 1.035 178 V CA -1.268 60.963 62.300 -0.115 0.000 0.896 178 V CB 1.500 33.006 31.823 -0.528 0.000 0.986 178 V HN 0.542 nan 8.190 nan 0.000 0.447 179 R N 2.690 123.121 120.500 -0.116 0.000 2.537 179 R HA 0.256 4.595 4.340 -0.000 0.000 0.280 179 R C 0.579 176.734 176.300 -0.242 0.000 1.058 179 R CA 0.222 56.094 56.100 -0.380 0.000 1.057 179 R CB 0.183 30.305 30.300 -0.297 0.000 0.973 179 R HN 0.725 nan 8.270 nan 0.000 0.438 180 L N 3.197 124.278 121.223 -0.236 0.000 2.599 180 L HA 0.198 4.538 4.340 -0.000 0.000 0.230 180 L C 1.046 177.878 176.870 -0.064 0.000 1.141 180 L CA 0.716 55.488 54.840 -0.114 0.000 0.877 180 L CB 0.003 42.018 42.059 -0.073 0.000 1.009 180 L HN 1.088 nan 8.230 nan 0.000 0.447 181 G N 0.866 109.612 108.800 -0.091 0.000 2.149 181 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 181 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 181 G C -0.039 174.834 174.900 -0.045 0.000 1.018 181 G CA 0.205 45.276 45.100 -0.048 0.000 0.728 181 G HN 0.531 nan 8.290 nan 0.000 0.508 182 D N 0.302 120.658 120.400 -0.073 0.000 2.382 182 D HA 0.343 4.982 4.640 -0.000 0.000 0.240 182 D C -2.108 174.163 176.300 -0.050 0.000 1.146 182 D CA -1.231 52.734 54.000 -0.058 0.000 0.897 182 D CB 1.156 41.908 40.800 -0.079 0.000 1.197 182 D HN 0.262 nan 8.370 nan 0.000 0.432 183 P HA 0.206 nan 4.420 nan 0.000 0.275 183 P C -0.094 177.186 177.300 -0.033 0.000 1.227 183 P CA -0.369 62.714 63.100 -0.030 0.000 0.781 183 P CB 1.022 32.709 31.700 -0.023 0.000 0.906 184 I N -0.122 120.431 120.570 -0.029 0.000 2.750 184 I HA 0.622 4.791 4.170 -0.000 0.000 0.308 184 I C -2.562 173.543 176.117 -0.020 0.000 1.016 184 I CA -3.475 57.809 61.300 -0.027 0.000 1.098 184 I CB 1.152 39.135 38.000 -0.027 0.000 1.279 184 I HN 0.042 nan 8.210 nan 0.000 0.454 185 P HA 0.389 nan 4.420 nan 0.000 0.267 185 P C -0.945 176.348 177.300 -0.012 0.000 1.209 185 P CA 0.083 63.174 63.100 -0.014 0.000 0.763 185 P CB 0.731 32.424 31.700 -0.012 0.000 0.816 186 A N 3.256 126.070 122.820 -0.011 0.000 2.604 186 A HA 0.763 5.083 4.320 -0.000 0.000 0.295 186 A C -1.254 176.325 177.584 -0.008 0.000 1.067 186 A CA -0.610 51.422 52.037 -0.009 0.000 0.683 186 A CB 1.066 20.060 19.000 -0.010 0.000 1.281 186 A HN 0.526 nan 8.150 nan 0.000 0.407 187 I N -1.564 119.002 120.570 -0.007 0.000 2.686 187 I HA 0.961 5.131 4.170 -0.000 0.000 0.295 187 I C -0.022 176.092 176.117 -0.005 0.000 1.114 187 I CA -0.385 60.911 61.300 -0.006 0.000 1.038 187 I CB 2.246 40.243 38.000 -0.005 0.000 1.238 187 I HN 1.149 nan 8.210 nan 0.000 0.420 188 G N 4.046 112.844 108.800 -0.004 0.000 2.684 188 G HA2 0.468 4.427 3.960 -0.000 0.000 0.290 188 G HA3 0.468 4.427 3.960 -0.000 0.000 0.290 188 G C -0.076 174.822 174.900 -0.003 0.000 1.425 188 G CA -0.950 44.148 45.100 -0.004 0.000 0.822 188 G HN 0.733 nan 8.290 nan 0.000 0.482 189 L N -0.522 120.699 121.223 -0.003 0.000 2.201 189 L HA 0.046 4.386 4.340 -0.000 0.000 0.212 189 L C 0.775 177.643 176.870 -0.002 0.000 1.105 189 L CA 0.780 55.618 54.840 -0.003 0.000 0.775 189 L CB 0.010 42.067 42.059 -0.003 0.000 0.913 189 L HN 0.393 nan 8.230 nan 0.000 0.440 190 D N -0.192 120.206 120.400 -0.002 0.000 2.277 190 D HA 0.133 4.773 4.640 -0.000 0.000 0.249 190 D C -1.776 174.523 176.300 -0.001 0.000 1.134 190 D CA -2.117 51.882 54.000 -0.002 0.000 0.863 190 D CB 1.906 42.705 40.800 -0.002 0.000 1.143 190 D HN -0.176 nan 8.370 nan 0.000 0.458 191 P HA -0.006 nan 4.420 nan 0.000 0.223 191 P C 0.434 177.734 177.300 0.001 0.000 1.151 191 P CA 0.937 64.037 63.100 -0.000 0.000 0.787 191 P CB 0.294 31.994 31.700 0.000 0.000 0.788 192 K N -1.185 119.215 120.400 0.001 0.000 2.505 192 K HA 0.114 4.434 4.320 -0.000 0.000 0.192 192 K C 0.891 177.492 176.600 0.002 0.000 1.025 192 K CA -0.074 56.215 56.287 0.002 0.000 1.086 192 K CB -0.201 32.301 32.500 0.003 0.000 0.840 192 K HN 0.255 nan 8.250 nan 0.000 0.514 193 M N 2.296 121.896 119.600 -0.000 0.000 2.252 193 M HA 0.024 4.504 4.480 -0.000 0.000 0.348 193 M C -0.940 175.359 176.300 -0.001 0.000 1.334 193 M CA 0.657 55.957 55.300 -0.001 0.000 1.071 193 M CB 0.496 33.095 32.600 -0.002 0.000 1.763 193 M HN -0.207 nan 8.290 nan 0.000 0.452 194 V N 4.511 124.424 119.914 -0.001 0.000 2.709 194 V HA 0.845 4.965 4.120 -0.000 0.000 0.308 194 V C -0.622 175.469 176.094 -0.005 0.000 1.062 194 V CA -0.875 61.424 62.300 -0.002 0.000 0.901 194 V CB 1.638 33.462 31.823 0.002 0.000 1.003 194 V HN 0.963 nan 8.190 nan 0.000 0.425 195 A N 2.925 125.740 122.820 -0.009 0.000 2.408 195 A HA 0.942 5.262 4.320 -0.000 0.000 0.295 195 A C -0.306 177.266 177.584 -0.020 0.000 1.040 195 A CA -0.223 51.806 52.037 -0.013 0.000 0.707 195 A CB 1.886 20.878 19.000 -0.014 0.000 1.235 195 A HN 1.055 nan 8.150 nan 0.000 0.418 196 T N -2.051 112.488 114.554 -0.025 0.000 2.865 196 T HA 0.594 4.944 4.350 -0.000 0.000 0.294 196 T C -0.760 173.909 174.700 -0.052 0.000 1.119 196 T CA -0.716 61.362 62.100 -0.036 0.000 1.007 196 T CB 1.355 70.206 68.868 -0.028 0.000 1.225 196 T HN 1.277 nan 8.240 nan 0.000 0.515 197 C N 2.428 121.686 119.300 -0.070 0.000 2.251 197 C HA 0.622 5.082 4.460 -0.000 0.000 0.323 197 C C -0.603 174.324 174.990 -0.104 0.000 1.241 197 C CA -0.444 58.521 59.018 -0.089 0.000 1.601 197 C CB -1.333 26.344 27.740 -0.105 0.000 2.251 197 C HN 0.854 nan 8.230 nan 0.000 0.488 198 D N 2.993 123.334 120.400 -0.098 0.000 2.340 198 D HA 0.270 4.910 4.640 -0.000 0.000 0.251 198 D C 0.018 176.269 176.300 -0.081 0.000 1.080 198 D CA 0.064 54.015 54.000 -0.081 0.000 0.971 198 D CB 1.498 42.261 40.800 -0.061 0.000 1.137 198 D HN 0.547 nan 8.370 nan 0.000 0.475 199 S N -0.044 115.621 115.700 -0.059 0.000 2.546 199 S HA 0.133 4.603 4.470 -0.000 0.000 0.290 199 S C 1.061 175.654 174.600 -0.011 0.000 1.262 199 S CA -0.156 58.000 58.200 -0.073 0.000 1.083 199 S CB 0.223 63.367 63.200 -0.092 0.000 0.859 199 S HN 0.519 nan 8.310 nan 0.000 0.495 200 S N 1.029 116.724 115.700 -0.008 0.000 2.784 200 S HA 0.127 4.596 4.470 -0.000 0.000 0.266 200 S C -0.349 174.290 174.600 0.066 0.000 1.079 200 S CA -0.533 57.690 58.200 0.039 0.000 0.989 200 S CB -0.294 62.896 63.200 -0.017 0.000 0.926 200 S HN 0.546 nan 8.310 nan 0.000 0.497 201 D N 3.212 123.647 120.400 0.059 0.000 2.506 201 D HA 0.263 4.903 4.640 -0.000 0.000 0.234 201 D C 0.235 176.605 176.300 0.116 0.000 1.143 201 D CA 0.642 54.696 54.000 0.090 0.000 0.871 201 D CB 0.005 40.874 40.800 0.115 0.000 1.190 201 D HN 0.173 nan 8.370 nan 0.000 0.459 202 R N -0.500 120.059 120.500 0.099 0.000 3.184 202 R HA -0.105 4.235 4.340 -0.000 0.000 0.257 202 R C -2.402 173.938 176.300 0.067 0.000 0.999 202 R CA -0.011 56.140 56.100 0.085 0.000 0.670 202 R CB -1.802 28.575 30.300 0.127 0.000 1.197 202 R HN 0.460 nan 8.270 nan 0.000 0.419 203 P HA 0.028 nan 4.420 nan 0.000 0.269 203 P C -0.307 176.979 177.300 -0.023 0.000 1.215 203 P CA 0.021 63.144 63.100 0.038 0.000 0.780 203 P CB 0.663 32.399 31.700 0.060 0.000 0.898 204 R N 1.393 121.855 120.500 -0.062 0.000 2.407 204 R HA 0.528 4.868 4.340 -0.000 0.000 0.303 204 R C -1.380 174.793 176.300 -0.211 0.000 0.981 204 R CA -0.725 55.278 56.100 -0.161 0.000 0.905 204 R CB 0.930 31.116 30.300 -0.188 0.000 1.099 204 R HN 0.261 nan 8.270 nan 0.000 0.459 205 V N 5.383 125.132 119.914 -0.275 0.000 2.531 205 V HA 0.375 4.495 4.120 -0.000 0.000 0.301 205 V C -1.257 174.655 176.094 -0.303 0.000 1.034 205 V CA -0.669 61.504 62.300 -0.212 0.000 0.865 205 V CB 1.555 33.316 31.823 -0.104 0.000 0.995 205 V HN 0.701 nan 8.190 nan 0.000 0.424 206 Y N 1.817 122.087 120.300 -0.050 0.000 2.360 206 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 206 Y C 0.710 176.559 175.900 -0.086 0.000 1.039 206 Y CA -0.501 57.562 58.100 -0.063 0.000 1.109 206 Y CB 2.144 40.566 38.460 -0.063 0.000 1.201 206 Y HN 0.484 nan 8.280 nan 0.000 0.458 207 T N 5.295 119.883 114.554 0.057 0.000 2.786 207 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 207 T C -0.589 174.058 174.700 -0.089 0.000 0.992 207 T CA -0.494 61.588 62.100 -0.031 0.000 0.954 207 T CB 0.218 69.062 68.868 -0.041 0.000 0.934 207 T HN 0.367 nan 8.240 nan 0.000 0.440 208 I N 2.821 123.285 120.570 -0.178 0.000 2.382 208 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 208 I C 0.384 176.326 176.117 -0.291 0.000 1.002 208 I CA -0.546 60.565 61.300 -0.316 0.000 1.135 208 I CB 1.765 39.415 38.000 -0.583 0.000 1.288 208 I HN 0.444 nan 8.210 nan 0.000 0.448 209 T N 5.928 120.349 114.554 -0.222 0.000 2.875 209 T HA 0.238 4.587 4.350 -0.000 0.000 0.307 209 T C 1.171 175.765 174.700 -0.176 0.000 1.013 209 T CA -0.217 61.787 62.100 -0.159 0.000 0.970 209 T CB 0.986 69.795 68.868 -0.099 0.000 0.986 209 T HN 0.754 nan 8.240 nan 0.000 0.536 210 A N 2.996 125.713 122.820 -0.172 0.000 2.014 210 A HA 0.563 4.883 4.320 -0.000 0.000 0.218 210 A C 1.200 178.786 177.584 0.003 0.000 1.163 210 A CA 0.584 52.588 52.037 -0.055 0.000 0.652 210 A CB 0.130 19.238 19.000 0.179 0.000 0.808 210 A HN 0.856 nan 8.150 nan 0.000 0.449 211 A N -0.779 122.032 122.820 -0.014 0.000 2.540 211 A HA 0.537 4.857 4.320 -0.000 0.000 0.297 211 A C -1.847 175.756 177.584 0.031 0.000 1.056 211 A CA -0.309 51.748 52.037 0.034 0.000 0.700 211 A CB 1.025 20.073 19.000 0.079 0.000 1.280 211 A HN 0.029 nan 8.150 nan 0.000 0.398 212 D N 2.251 122.695 120.400 0.074 0.000 2.400 212 D HA 0.387 5.027 4.640 -0.000 0.000 0.272 212 D C -0.617 175.739 176.300 0.093 0.000 1.220 212 D CA 0.301 54.334 54.000 0.055 0.000 0.897 212 D CB 0.128 40.950 40.800 0.036 0.000 1.134 212 D HN 0.468 nan 8.370 nan 0.000 0.507 213 D N 1.902 122.359 120.400 0.095 0.000 2.716 213 D HA -0.283 4.357 4.640 -0.000 0.000 0.239 213 D C -0.673 175.715 176.300 0.146 0.000 1.125 213 D CA 0.432 54.497 54.000 0.109 0.000 0.681 213 D CB -1.436 39.414 40.800 0.083 0.000 1.070 213 D HN 0.472 nan 8.370 nan 0.000 0.432 214 Y N 1.226 121.575 120.300 0.083 0.000 2.377 214 Y HA 0.210 4.760 4.550 -0.000 0.000 0.330 214 Y C 0.502 176.470 175.900 0.113 0.000 1.108 214 Y CA 0.125 58.285 58.100 0.100 0.000 1.308 214 Y CB 0.684 39.225 38.460 0.135 0.000 1.216 214 Y HN -0.042 nan 8.280 nan 0.000 0.518 215 Q N 7.393 126.712 119.800 -0.802 0.000 2.331 215 Q HA 0.186 4.526 4.340 -0.000 0.000 0.257 215 Q C -1.465 173.962 176.000 -0.954 0.000 0.957 215 Q CA -0.514 54.906 55.803 -0.638 0.000 0.923 215 Q CB 1.643 30.169 28.738 -0.354 0.000 1.212 215 Q HN 0.704 nan 8.270 nan 0.000 0.443 216 F N 1.601 120.963 119.950 -0.980 0.000 2.443 216 F HA 0.493 5.020 4.527 -0.000 0.000 0.335 216 F C -0.530 174.877 175.800 -0.655 0.000 1.104 216 F CA -0.558 56.858 58.000 -0.973 0.000 1.013 216 F CB 1.706 39.626 39.000 -1.799 0.000 1.136 216 F HN 0.341 nan 8.300 nan 0.000 0.470 217 S N 4.249 119.163 115.700 -1.309 0.000 2.649 217 S HA 0.647 5.117 4.470 -0.000 0.000 0.274 217 S C -1.442 172.623 174.600 -0.892 0.000 1.176 217 S CA -0.362 57.289 58.200 -0.916 0.000 0.988 217 S CB 1.081 63.995 63.200 -0.476 0.000 1.071 217 S HN 0.896 nan 8.310 nan 0.000 0.478 218 S N 2.688 117.984 115.700 -0.674 0.000 2.565 218 S HA 0.461 4.931 4.470 -0.000 0.000 0.269 218 S C -1.734 172.780 174.600 -0.144 0.000 1.153 218 S CA -0.658 57.317 58.200 -0.376 0.000 0.835 218 S CB 1.519 64.511 63.200 -0.346 0.000 1.122 218 S HN 0.780 nan 8.310 nan 0.000 0.462 219 Q N 1.856 121.613 119.800 -0.072 0.000 2.327 219 Q HA 0.202 4.542 4.340 -0.000 0.000 0.254 219 Q C -0.568 175.469 176.000 0.062 0.000 0.952 219 Q CA -0.202 55.607 55.803 0.010 0.000 0.884 219 Q CB 0.560 29.303 28.738 0.008 0.000 1.224 219 Q HN 0.700 nan 8.270 nan 0.000 0.422 220 Y N 1.940 122.248 120.300 0.015 0.000 2.741 220 Y HA -0.154 4.396 4.550 -0.000 0.000 0.351 220 Y C -0.298 175.624 175.900 0.037 0.000 1.274 220 Y CA 0.943 59.067 58.100 0.040 0.000 1.482 220 Y CB 0.553 39.035 38.460 0.036 0.000 1.357 220 Y HN 0.609 nan 8.280 nan 0.000 0.657 221 Q N 2.217 121.212 119.800 -1.343 0.000 2.403 221 Q HA 0.239 4.579 4.340 -0.000 0.000 0.267 221 Q C -1.427 173.843 176.000 -1.216 0.000 0.991 221 Q CA -0.675 54.570 55.803 -0.930 0.000 0.906 221 Q CB 1.631 30.148 28.738 -0.368 0.000 1.422 221 Q HN 0.849 nan 8.270 nan 0.000 0.400 222 S N 1.236 116.558 115.700 -0.630 0.000 2.537 222 S HA 0.468 4.938 4.470 -0.000 0.000 0.286 222 S C 1.002 175.508 174.600 -0.156 0.000 1.299 222 S CA 1.495 59.578 58.200 -0.195 0.000 1.067 222 S CB 0.450 63.667 63.200 0.029 0.000 0.864 222 S HN 1.114 nan 8.310 nan 0.000 0.494 223 G N 2.781 111.540 108.800 -0.069 0.000 2.254 223 G HA2 0.223 4.183 3.960 -0.000 0.000 0.225 223 G HA3 0.223 4.183 3.960 -0.000 0.000 0.225 223 G C 1.213 176.091 174.900 -0.037 0.000 1.003 223 G CA 0.256 45.332 45.100 -0.039 0.000 0.622 223 G HN 2.520 nan 8.290 nan 0.000 0.507 224 G N -2.005 106.741 108.800 -0.091 0.000 2.662 224 G HA2 0.315 4.275 3.960 -0.000 0.000 0.686 224 G HA3 0.315 4.275 3.960 -0.000 0.000 0.686 224 G C -0.532 174.359 174.900 -0.015 0.000 1.271 224 G CA 0.048 45.133 45.100 -0.024 0.000 0.816 224 G HN 1.477 nan 8.290 nan 0.000 0.608 225 V N 1.291 121.244 119.914 0.065 0.000 2.435 225 V HA 0.701 4.820 4.120 -0.000 0.000 0.290 225 V C 0.677 176.846 176.094 0.126 0.000 1.030 225 V CA -0.061 62.308 62.300 0.114 0.000 0.881 225 V CB 1.751 33.711 31.823 0.228 0.000 0.983 225 V HN 1.015 nan 8.190 nan 0.000 0.445 226 T N 6.906 121.514 114.554 0.091 0.000 2.829 226 T HA 0.722 5.072 4.350 -0.000 0.000 0.282 226 T C -0.264 174.487 174.700 0.084 0.000 0.990 226 T CA -0.151 61.990 62.100 0.068 0.000 1.028 226 T CB 0.946 69.838 68.868 0.039 0.000 0.951 226 T HN 0.654 nan 8.240 nan 0.000 0.460 227 I N -1.014 119.596 120.570 0.066 0.000 2.969 227 I HA 0.690 4.860 4.170 -0.000 0.000 0.307 227 I C -0.750 175.382 176.117 0.025 0.000 1.149 227 I CA -0.895 60.451 61.300 0.077 0.000 1.008 227 I CB 2.568 40.650 38.000 0.136 0.000 1.232 227 I HN 0.312 nan 8.210 nan 0.000 0.435 228 T N 4.632 119.184 114.554 -0.002 0.000 2.929 228 T HA 0.256 4.606 4.350 -0.000 0.000 0.331 228 T C 0.739 175.394 174.700 -0.075 0.000 1.120 228 T CA -0.261 61.800 62.100 -0.065 0.000 0.973 228 T CB 0.888 69.704 68.868 -0.087 0.000 1.036 228 T HN 0.581 nan 8.240 nan 0.000 0.502 229 L N 4.713 125.881 121.223 -0.092 0.000 2.043 229 L HA 0.122 4.462 4.340 -0.000 0.000 0.212 229 L C 0.278 177.125 176.870 -0.037 0.000 1.075 229 L CA 1.981 56.780 54.840 -0.069 0.000 0.752 229 L CB -0.328 41.732 42.059 0.003 0.000 0.891 229 L HN 0.711 nan 8.230 nan 0.000 0.432 230 F N -3.514 116.415 119.950 -0.036 0.000 2.713 230 F HA 0.618 5.145 4.527 -0.000 0.000 0.311 230 F C -0.773 175.008 175.800 -0.031 0.000 1.141 230 F CA -1.071 56.900 58.000 -0.049 0.000 0.939 230 F CB 0.665 39.626 39.000 -0.065 0.000 1.325 230 F HN -0.306 nan 8.300 nan 0.000 0.453 231 S N 1.260 117.163 115.700 0.338 0.000 2.575 231 S HA 0.910 5.380 4.470 -0.000 0.000 0.278 231 S C -1.517 173.244 174.600 0.268 0.000 1.139 231 S CA 0.176 58.514 58.200 0.230 0.000 0.954 231 S CB 1.147 64.375 63.200 0.047 0.000 1.054 231 S HN 1.763 nan 8.310 nan 0.000 0.483 232 A N 3.919 126.871 122.820 0.219 0.000 2.515 232 A HA 0.642 4.962 4.320 -0.000 0.000 0.298 232 A C -0.832 176.735 177.584 -0.029 0.000 1.059 232 A CA -0.914 51.152 52.037 0.050 0.000 0.698 232 A CB 1.112 20.076 19.000 -0.060 0.000 1.289 232 A HN 0.863 nan 8.150 nan 0.000 0.404 233 N N 0.800 119.463 118.700 -0.061 0.000 2.430 233 N HA 0.529 5.269 4.740 -0.000 0.000 0.265 233 N C -0.385 174.998 175.510 -0.212 0.000 1.100 233 N CA 0.090 53.095 53.050 -0.075 0.000 0.961 233 N CB 0.587 39.064 38.487 -0.016 0.000 1.075 233 N HN 0.672 nan 8.380 nan 0.000 0.478 234 I N -1.690 118.735 120.570 -0.242 0.000 3.191 234 I HA 0.578 4.748 4.170 -0.000 0.000 0.313 234 I C -1.413 174.648 176.117 -0.094 0.000 1.193 234 I CA -1.001 60.014 61.300 -0.474 0.000 0.968 234 I CB 2.637 40.165 38.000 -0.786 0.000 1.262 234 I HN 0.172 nan 8.210 nan 0.000 0.456 235 D N 2.140 122.589 120.400 0.082 0.000 2.646 235 D HA 0.724 5.364 4.640 -0.000 0.000 0.245 235 D C -1.172 175.203 176.300 0.125 0.000 1.099 235 D CA -0.274 53.801 54.000 0.126 0.000 0.849 235 D CB 2.475 43.379 40.800 0.174 0.000 1.448 235 D HN 0.914 nan 8.370 nan 0.000 0.489 236 A N 1.859 124.721 122.820 0.069 0.000 2.566 236 A HA 0.553 4.873 4.320 -0.000 0.000 0.297 236 A C -0.456 177.127 177.584 -0.002 0.000 1.059 236 A CA -0.490 51.574 52.037 0.044 0.000 0.691 236 A CB 1.058 20.084 19.000 0.042 0.000 1.282 236 A HN 0.578 nan 8.150 nan 0.000 0.401 237 I N 0.300 120.855 120.570 -0.026 0.000 4.530 237 I HA 0.125 4.295 4.170 -0.000 0.000 0.318 237 I C 1.023 177.120 176.117 -0.032 0.000 1.257 237 I CA 1.102 62.347 61.300 -0.092 0.000 1.301 237 I CB 1.004 38.863 38.000 -0.234 0.000 1.297 237 I HN 0.842 nan 8.210 nan 0.000 0.451 238 T N -1.744 112.827 114.554 0.027 0.000 2.773 238 T HA 0.408 4.758 4.350 -0.000 0.000 0.278 238 T C 0.203 174.947 174.700 0.074 0.000 1.011 238 T CA -0.472 61.663 62.100 0.059 0.000 1.014 238 T CB 1.191 70.124 68.868 0.109 0.000 1.293 238 T HN 0.102 nan 8.240 nan 0.000 0.554 239 S N 0.617 116.381 115.700 0.107 0.000 2.553 239 S HA 0.316 4.786 4.470 -0.000 0.000 0.293 239 S C 0.069 174.757 174.600 0.147 0.000 1.296 239 S CA -0.282 58.012 58.200 0.158 0.000 1.046 239 S CB -1.047 62.283 63.200 0.218 0.000 0.810 239 S HN 1.266 nan 8.310 nan 0.000 0.505 240 L N -0.891 120.368 121.223 0.059 0.000 2.491 240 L HA 0.937 5.276 4.340 -0.000 0.000 0.254 240 L C -0.663 176.160 176.870 -0.079 0.000 1.048 240 L CA -1.028 53.706 54.840 -0.176 0.000 0.855 240 L CB 1.886 43.898 42.059 -0.079 0.000 1.466 240 L HN 0.848 nan 8.230 nan 0.000 0.409 241 S N -0.031 115.580 115.700 -0.148 0.000 2.569 241 S HA 0.862 5.332 4.470 -0.000 0.000 0.280 241 S C -0.914 173.699 174.600 0.022 0.000 1.111 241 S CA -0.683 57.528 58.200 0.017 0.000 0.887 241 S CB 1.785 65.051 63.200 0.110 0.000 1.095 241 S HN 0.663 nan 8.310 nan 0.000 0.476 242 I N 1.498 122.113 120.570 0.076 0.000 2.447 242 I HA 0.692 4.862 4.170 -0.000 0.000 0.287 242 I C 0.461 176.661 176.117 0.139 0.000 1.023 242 I CA -0.538 60.819 61.300 0.095 0.000 1.083 242 I CB 1.956 40.039 38.000 0.139 0.000 1.245 242 I HN 0.949 nan 8.210 nan 0.000 0.434 243 G N 2.890 111.746 108.800 0.093 0.000 2.818 243 G HA2 0.890 4.850 3.960 -0.000 0.000 0.286 243 G HA3 0.890 4.850 3.960 -0.000 0.000 0.286 243 G C -0.458 174.483 174.900 0.068 0.000 1.364 243 G CA -0.493 44.681 45.100 0.123 0.000 0.938 243 G HN 1.029 nan 8.290 nan 0.000 0.490 244 G N -0.950 107.915 108.800 0.109 0.000 2.352 244 G HA2 0.498 4.457 3.960 -0.000 0.000 0.324 244 G HA3 0.498 4.457 3.960 -0.000 0.000 0.324 244 G C -0.654 174.359 174.900 0.190 0.000 1.249 244 G CA 0.514 45.647 45.100 0.055 0.000 1.053 244 G HN 1.762 nan 8.290 nan 0.000 0.492 245 E N -1.616 118.660 120.200 0.127 0.000 2.388 245 E HA 0.604 4.953 4.350 -0.000 0.000 0.281 245 E C -1.723 174.966 176.600 0.149 0.000 1.046 245 E CA -1.127 55.426 56.400 0.255 0.000 0.825 245 E CB 1.116 30.920 29.700 0.173 0.000 1.243 245 E HN 0.755 nan 8.360 nan 0.000 0.438 246 L N 1.796 123.160 121.223 0.235 0.000 2.334 246 L HA 0.668 5.008 4.340 -0.000 0.000 0.276 246 L C -0.835 176.037 176.870 0.004 0.000 1.014 246 L CA -1.358 53.512 54.840 0.050 0.000 0.815 246 L CB 2.007 44.132 42.059 0.111 0.000 1.268 246 L HN 0.449 nan 8.230 nan 0.000 0.428 247 V N 2.693 122.481 119.914 -0.210 0.000 2.448 247 V HA 0.446 4.566 4.120 -0.000 0.000 0.295 247 V C -0.662 175.199 176.094 -0.387 0.000 1.025 247 V CA -0.463 61.741 62.300 -0.160 0.000 0.859 247 V CB 1.571 33.291 31.823 -0.173 0.000 0.988 247 V HN 0.361 nan 8.190 nan 0.000 0.431 248 F N 2.821 122.651 119.950 -0.200 0.000 2.480 248 F HA 0.619 5.146 4.527 -0.000 0.000 0.329 248 F C 0.384 176.133 175.800 -0.086 0.000 1.091 248 F CA -0.419 57.478 58.000 -0.170 0.000 0.972 248 F CB 1.416 40.266 39.000 -0.251 0.000 1.150 248 F HN 0.471 nan 8.300 nan 0.000 0.467 249 H N -0.008 119.234 119.070 0.287 0.000 2.637 249 H HA 0.647 5.203 4.556 -0.000 0.000 0.363 249 H C -0.699 174.783 175.328 0.257 0.000 1.131 249 H CA -0.839 55.335 56.048 0.210 0.000 1.183 249 H CB 2.415 32.267 29.762 0.150 0.000 1.637 249 H HN 0.597 nan 8.280 nan 0.000 0.531 250 T N 0.091 114.830 114.554 0.308 0.000 2.840 250 T HA 0.155 4.505 4.350 -0.000 0.000 0.317 250 T C 0.231 174.976 174.700 0.076 0.000 1.401 250 T CA -0.356 61.877 62.100 0.221 0.000 1.028 250 T CB 1.159 70.181 68.868 0.256 0.000 1.317 250 T HN 0.659 nan 8.240 nan 0.000 0.495 251 S N 0.710 116.425 115.700 0.024 0.000 2.505 251 S HA 0.289 4.759 4.470 -0.000 0.000 0.216 251 S C 0.543 175.029 174.600 -0.190 0.000 1.018 251 S CA -0.147 58.012 58.200 -0.068 0.000 0.911 251 S CB 0.186 63.369 63.200 -0.027 0.000 0.818 251 S HN 0.493 nan 8.310 nan 0.000 0.497 252 V N 4.153 123.999 119.914 -0.112 0.000 2.583 252 V HA 0.283 4.403 4.120 -0.000 0.000 0.287 252 V C 0.142 176.117 176.094 -0.198 0.000 1.051 252 V CA -0.416 61.816 62.300 -0.113 0.000 1.010 252 V CB 0.459 32.298 31.823 0.025 0.000 0.988 252 V HN 0.490 nan 8.190 nan 0.000 0.478 253 H N 2.529 121.635 119.070 0.060 0.000 2.488 253 H HA 0.401 4.957 4.556 -0.000 0.000 0.347 253 H C 1.219 176.576 175.328 0.048 0.000 1.174 253 H CA 0.500 56.578 56.048 0.049 0.000 1.307 253 H CB 1.468 31.248 29.762 0.031 0.000 1.517 253 H HN 0.926 nan 8.280 nan 0.000 0.554 254 G N 1.657 110.559 108.800 0.170 0.000 2.143 254 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 254 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 254 G C 0.025 174.979 174.900 0.090 0.000 0.991 254 G CA 0.016 45.179 45.100 0.104 0.000 0.689 254 G HN 0.424 nan 8.290 nan 0.000 0.522 255 L N 0.183 121.463 121.223 0.095 0.000 2.334 255 L HA 0.745 5.085 4.340 -0.000 0.000 0.277 255 L C 0.606 177.500 176.870 0.040 0.000 1.075 255 L CA -0.195 54.706 54.840 0.102 0.000 0.804 255 L CB 1.722 43.875 42.059 0.156 0.000 1.174 255 L HN 0.368 nan 8.230 nan 0.000 0.438 256 A N 4.265 127.098 122.820 0.023 0.000 2.475 256 A HA 0.833 5.153 4.320 -0.000 0.000 0.301 256 A C -1.100 176.429 177.584 -0.092 0.000 1.059 256 A CA -0.523 51.486 52.037 -0.046 0.000 0.710 256 A CB 1.524 20.511 19.000 -0.022 0.000 1.288 256 A HN 0.618 nan 8.150 nan 0.000 0.408 257 L N 1.415 122.520 121.223 -0.197 0.000 2.342 257 L HA 0.544 4.884 4.340 -0.000 0.000 0.271 257 L C -1.014 175.732 176.870 -0.207 0.000 1.008 257 L CA -0.811 53.872 54.840 -0.263 0.000 0.818 257 L CB 2.163 43.893 42.059 -0.548 0.000 1.296 257 L HN 0.663 nan 8.230 nan 0.000 0.427 258 D N 2.248 122.549 120.400 -0.164 0.000 2.629 258 D HA 0.602 5.242 4.640 -0.000 0.000 0.250 258 D C -0.915 175.311 176.300 -0.124 0.000 1.126 258 D CA -0.217 53.707 54.000 -0.125 0.000 0.852 258 D CB 2.754 43.511 40.800 -0.072 0.000 1.335 258 D HN 0.539 nan 8.370 nan 0.000 0.518 259 A N 1.738 124.478 122.820 -0.134 0.000 2.393 259 A HA 0.722 5.042 4.320 -0.000 0.000 0.306 259 A C -0.549 176.970 177.584 -0.108 0.000 1.050 259 A CA -0.523 51.454 52.037 -0.100 0.000 0.724 259 A CB 1.838 20.774 19.000 -0.106 0.000 1.248 259 A HN 0.363 nan 8.150 nan 0.000 0.424 260 T N 2.871 117.381 114.554 -0.073 0.000 2.886 260 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 260 T C -0.644 173.965 174.700 -0.152 0.000 1.012 260 T CA -0.335 61.656 62.100 -0.182 0.000 0.982 260 T CB 0.958 69.641 68.868 -0.307 0.000 1.018 260 T HN 0.468 nan 8.240 nan 0.000 0.451 261 I N 3.181 123.642 120.570 -0.182 0.000 2.392 261 I HA 0.424 4.594 4.170 -0.000 0.000 0.295 261 I C -0.879 175.108 176.117 -0.216 0.000 0.985 261 I CA -0.798 60.469 61.300 -0.055 0.000 1.221 261 I CB 1.076 39.125 38.000 0.082 0.000 1.366 261 I HN 0.663 nan 8.210 nan 0.000 0.467 262 Y N 5.800 126.093 120.300 -0.012 0.000 2.376 262 Y HA 0.508 5.057 4.550 -0.000 0.000 0.340 262 Y C -0.166 175.731 175.900 -0.005 0.000 0.965 262 Y CA -0.709 57.383 58.100 -0.013 0.000 1.078 262 Y CB 1.823 40.264 38.460 -0.031 0.000 1.193 262 Y HN 0.263 nan 8.280 nan 0.000 0.452 263 L N 5.255 126.565 121.223 0.144 0.000 2.280 263 L HA 0.488 4.828 4.340 -0.000 0.000 0.287 263 L C -0.889 176.030 176.870 0.082 0.000 1.023 263 L CA -0.676 54.217 54.840 0.088 0.000 0.819 263 L CB 0.890 42.981 42.059 0.053 0.000 1.212 263 L HN 0.479 nan 8.230 nan 0.000 0.420 264 I N 2.303 122.909 120.570 0.062 0.000 2.437 264 I HA 0.404 4.574 4.170 -0.000 0.000 0.298 264 I C 0.925 177.065 176.117 0.039 0.000 0.984 264 I CA -0.209 61.116 61.300 0.042 0.000 1.214 264 I CB 1.479 39.489 38.000 0.017 0.000 1.365 264 I HN 0.541 nan 8.210 nan 0.000 0.469 265 G N 3.190 112.014 108.800 0.039 0.000 2.580 265 G HA2 0.172 4.132 3.960 -0.000 0.000 0.278 265 G HA3 0.172 4.132 3.960 -0.000 0.000 0.278 265 G C 0.345 175.304 174.900 0.099 0.000 1.212 265 G CA -0.320 44.819 45.100 0.066 0.000 0.939 265 G HN 0.583 nan 8.290 nan 0.000 0.513 266 F N 0.468 120.402 119.950 -0.027 0.000 2.333 266 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 266 F C 1.982 177.717 175.800 -0.108 0.000 1.083 266 F CA 1.682 59.601 58.000 -0.136 0.000 1.395 266 F CB 0.263 39.048 39.000 -0.359 0.000 1.056 266 F HN 0.419 nan 8.300 nan 0.000 0.529 267 D N -1.334 119.070 120.400 0.007 0.000 2.342 267 D HA 0.202 4.842 4.640 -0.000 0.000 0.221 267 D C 1.799 178.081 176.300 -0.029 0.000 1.101 267 D CA 0.639 54.633 54.000 -0.009 0.000 0.837 267 D CB -0.353 40.600 40.800 0.255 0.000 0.938 267 D HN 0.339 nan 8.370 nan 0.000 0.508 268 G N 0.267 109.037 108.800 -0.051 0.000 2.199 268 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 268 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 268 G C 0.570 175.460 174.900 -0.017 0.000 0.982 268 G CA 0.555 45.625 45.100 -0.049 0.000 0.632 268 G HN 0.810 nan 8.290 nan 0.000 0.529 269 T N -0.756 113.810 114.554 0.020 0.000 2.882 269 T HA 0.563 4.913 4.350 -0.000 0.000 0.287 269 T C 0.364 175.083 174.700 0.031 0.000 1.014 269 T CA 0.557 62.675 62.100 0.029 0.000 1.049 269 T CB 1.612 70.515 68.868 0.059 0.000 1.001 269 T HN 0.353 nan 8.240 nan 0.000 0.525 270 T N 2.265 116.844 114.554 0.042 0.000 2.794 270 T HA 0.335 4.684 4.350 -0.000 0.000 0.296 270 T C 1.266 176.006 174.700 0.065 0.000 0.949 270 T CA -0.727 61.418 62.100 0.076 0.000 1.101 270 T CB 1.059 70.005 68.868 0.130 0.000 0.905 270 T HN 0.537 nan 8.240 nan 0.000 0.516 271 V N 3.615 123.562 119.914 0.055 0.000 2.922 271 V HA 0.354 4.473 4.120 -0.000 0.000 0.242 271 V C 0.596 176.708 176.094 0.030 0.000 1.094 271 V CA 0.657 62.972 62.300 0.025 0.000 1.106 271 V CB 0.024 31.845 31.823 -0.003 0.000 0.799 271 V HN 0.734 nan 8.190 nan 0.000 0.474 272 I N 0.248 120.844 120.570 0.044 0.000 2.722 272 I HA 0.450 4.620 4.170 -0.000 0.000 0.295 272 I C -0.748 175.370 176.117 0.002 0.000 1.161 272 I CA -0.211 61.101 61.300 0.020 0.000 1.032 272 I CB 2.653 40.661 38.000 0.013 0.000 1.244 272 I HN 0.171 nan 8.210 nan 0.000 0.421 273 T N 2.392 116.910 114.554 -0.061 0.000 2.886 273 T HA 0.717 5.067 4.350 -0.000 0.000 0.292 273 T C -0.645 173.942 174.700 -0.187 0.000 1.012 273 T CA -0.972 60.999 62.100 -0.215 0.000 0.982 273 T CB 2.086 70.801 68.868 -0.255 0.000 1.018 273 T HN 0.321 nan 8.240 nan 0.000 0.451 274 R N 1.226 121.588 120.500 -0.230 0.000 2.621 274 R HA 0.778 5.118 4.340 -0.000 0.000 0.284 274 R C -0.642 175.545 176.300 -0.190 0.000 0.998 274 R CA -0.854 55.153 56.100 -0.154 0.000 0.895 274 R CB 1.996 32.245 30.300 -0.084 0.000 1.195 274 R HN 0.982 nan 8.270 nan 0.000 0.450 275 A N 1.938 124.662 122.820 -0.159 0.000 2.366 275 A HA 0.409 4.728 4.320 -0.000 0.000 0.272 275 A C 0.658 178.132 177.584 -0.184 0.000 1.135 275 A CA -0.345 51.593 52.037 -0.164 0.000 0.804 275 A CB 0.643 19.564 19.000 -0.132 0.000 1.064 275 A HN 0.463 nan 8.150 nan 0.000 0.499 276 V N 1.403 121.178 119.914 -0.231 0.000 3.455 276 V HA 0.410 4.530 4.120 -0.000 0.000 0.250 276 V C 0.934 176.829 176.094 -0.331 0.000 1.230 276 V CA 1.378 63.460 62.300 -0.364 0.000 1.105 276 V CB 0.184 31.646 31.823 -0.601 0.000 0.850 276 V HN 1.113 nan 8.190 nan 0.000 0.461 277 A N -0.622 122.051 122.820 -0.245 0.000 2.459 277 A HA 0.767 5.087 4.320 -0.000 0.000 0.296 277 A C -0.695 176.792 177.584 -0.162 0.000 1.039 277 A CA -0.240 51.671 52.037 -0.210 0.000 0.698 277 A CB 1.991 20.846 19.000 -0.242 0.000 1.261 277 A HN 0.040 nan 8.150 nan 0.000 0.405 278 S N 1.658 117.277 115.700 -0.135 0.000 2.779 278 S HA 0.497 4.967 4.470 -0.000 0.000 0.293 278 S C -0.275 174.270 174.600 -0.091 0.000 1.150 278 S CA 0.515 58.653 58.200 -0.103 0.000 1.057 278 S CB 0.590 63.739 63.200 -0.085 0.000 1.021 278 S HN 1.747 nan 8.310 nan 0.000 0.485 279 D N 3.299 123.649 120.400 -0.084 0.000 2.708 279 D HA -0.232 4.408 4.640 -0.000 0.000 0.236 279 D C -0.508 175.742 176.300 -0.084 0.000 1.146 279 D CA 0.885 54.844 54.000 -0.068 0.000 0.662 279 D CB -1.385 39.388 40.800 -0.045 0.000 1.059 279 D HN 0.476 nan 8.370 nan 0.000 0.428 280 N N 0.204 118.828 118.700 -0.126 0.000 2.402 280 N HA 0.394 5.134 4.740 -0.000 0.000 0.252 280 N C 0.319 175.745 175.510 -0.139 0.000 1.118 280 N CA 0.497 53.463 53.050 -0.141 0.000 0.945 280 N CB 0.797 39.165 38.487 -0.198 0.000 1.147 280 N HN 0.391 nan 8.380 nan 0.000 0.495 281 G N 2.933 111.682 108.800 -0.085 0.000 2.432 281 G HA2 0.391 4.351 3.960 -0.000 0.000 0.257 281 G HA3 0.391 4.351 3.960 -0.000 0.000 0.257 281 G C -0.243 174.622 174.900 -0.058 0.000 1.238 281 G CA -0.495 44.572 45.100 -0.056 0.000 0.838 281 G HN 0.613 nan 8.290 nan 0.000 0.547 282 L N 1.746 122.947 121.223 -0.037 0.000 2.272 282 L HA 0.315 4.655 4.340 -0.000 0.000 0.289 282 L C 0.371 177.267 176.870 0.043 0.000 1.032 282 L CA -0.585 54.247 54.840 -0.014 0.000 0.810 282 L CB 1.662 43.710 42.059 -0.018 0.000 1.205 282 L HN 0.378 nan 8.230 nan 0.000 0.422 283 T N 1.353 115.942 114.554 0.057 0.000 2.845 283 T HA 0.188 4.538 4.350 -0.000 0.000 0.288 283 T C 0.394 175.147 174.700 0.089 0.000 0.980 283 T CA -0.307 61.843 62.100 0.082 0.000 1.071 283 T CB 1.193 70.105 68.868 0.072 0.000 0.941 283 T HN 0.483 nan 8.240 nan 0.000 0.487 284 T N 2.441 117.047 114.554 0.086 0.000 2.926 284 T HA 0.398 4.748 4.350 -0.000 0.000 0.307 284 T C 1.403 176.139 174.700 0.060 0.000 1.059 284 T CA 0.782 62.904 62.100 0.037 0.000 1.122 284 T CB 0.401 69.236 68.868 -0.056 0.000 0.972 284 T HN 0.975 nan 8.240 nan 0.000 0.545 285 G N 1.589 110.408 108.800 0.033 0.000 2.283 285 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.280 285 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.280 285 G C -0.161 174.754 174.900 0.025 0.000 1.029 285 G CA 0.361 45.465 45.100 0.008 0.000 0.840 285 G HN 0.631 nan 8.290 nan 0.000 0.505 286 I N -1.077 119.540 120.570 0.079 0.000 3.095 286 I HA 0.484 4.654 4.170 -0.000 0.000 0.310 286 I C -1.213 175.048 176.117 0.241 0.000 1.196 286 I CA -1.570 59.799 61.300 0.114 0.000 0.985 286 I CB 1.949 40.006 38.000 0.095 0.000 1.250 286 I HN -0.048 nan 8.210 nan 0.000 0.446 287 D N 3.855 124.391 120.400 0.226 0.000 2.316 287 D HA 0.238 4.878 4.640 -0.000 0.000 0.245 287 D C -0.683 175.704 176.300 0.144 0.000 1.171 287 D CA 0.071 54.218 54.000 0.245 0.000 0.856 287 D CB 0.396 41.303 40.800 0.179 0.000 1.090 287 D HN 0.286 nan 8.370 nan 0.000 0.476 288 N N 3.012 121.796 118.700 0.140 0.000 2.426 288 N HA 0.212 4.951 4.740 -0.000 0.000 0.257 288 N C -0.182 175.397 175.510 0.115 0.000 1.002 288 N CA -0.328 52.785 53.050 0.106 0.000 0.942 288 N CB 1.681 40.224 38.487 0.095 0.000 1.112 288 N HN 0.259 nan 8.380 nan 0.000 0.499 289 L N 2.331 123.600 121.223 0.077 0.000 2.292 289 L HA 0.445 4.784 4.340 -0.000 0.000 0.284 289 L C 0.489 177.400 176.870 0.069 0.000 1.065 289 L CA -0.189 54.700 54.840 0.081 0.000 0.806 289 L CB 1.045 43.137 42.059 0.055 0.000 1.175 289 L HN 0.374 nan 8.230 nan 0.000 0.431 290 M N 7.053 126.727 119.600 0.124 0.000 1.998 290 M HA 0.390 4.870 4.480 -0.000 0.000 0.289 290 M C -2.558 173.797 176.300 0.092 0.000 0.886 290 M CA -1.643 53.699 55.300 0.070 0.000 0.853 290 M CB 1.515 34.210 32.600 0.158 0.000 1.462 290 M HN 0.213 nan 8.290 nan 0.000 0.375 291 P HA 0.267 nan 4.420 nan 0.000 0.274 291 P C -1.345 175.915 177.300 -0.067 0.000 1.246 291 P CA -0.025 63.124 63.100 0.082 0.000 0.795 291 P CB 0.763 32.485 31.700 0.037 0.000 1.006 292 F N 0.790 120.753 119.950 0.021 0.000 2.493 292 F HA 0.373 4.900 4.527 -0.000 0.000 0.329 292 F C 0.930 176.741 175.800 0.018 0.000 1.126 292 F CA -0.242 57.771 58.000 0.021 0.000 0.937 292 F CB 1.402 40.421 39.000 0.033 0.000 1.146 292 F HN 0.179 nan 8.300 nan 0.000 0.442 293 N N 5.187 123.935 118.700 0.080 0.000 2.672 293 N HA 0.251 4.991 4.740 -0.000 0.000 0.295 293 N C -1.326 174.219 175.510 0.057 0.000 1.924 293 N CA -0.046 53.045 53.050 0.068 0.000 0.851 293 N CB 1.141 39.642 38.487 0.023 0.000 1.281 293 N HN 0.411 nan 8.380 nan 0.000 0.494 294 L N 0.779 122.059 121.223 0.095 0.000 2.309 294 L HA 0.608 4.948 4.340 -0.000 0.000 0.282 294 L C -0.054 176.862 176.870 0.078 0.000 1.036 294 L CA -0.876 54.008 54.840 0.073 0.000 0.806 294 L CB 1.959 44.072 42.059 0.090 0.000 1.220 294 L HN -0.209 nan 8.230 nan 0.000 0.429 295 V N 4.555 124.507 119.914 0.063 0.000 2.443 295 V HA 0.380 4.500 4.120 -0.000 0.000 0.293 295 V C -0.283 175.849 176.094 0.063 0.000 1.021 295 V CA -0.421 61.928 62.300 0.081 0.000 0.848 295 V CB 2.072 33.942 31.823 0.079 0.000 0.998 295 V HN 0.420 nan 8.190 nan 0.000 0.424 296 I N 7.778 128.389 120.570 0.068 0.000 2.330 296 I HA 0.391 4.561 4.170 -0.000 0.000 0.286 296 I C -2.087 174.068 176.117 0.063 0.000 1.025 296 I CA -2.751 58.579 61.300 0.050 0.000 1.197 296 I CB 1.357 39.381 38.000 0.040 0.000 1.358 296 I HN 0.380 nan 8.210 nan 0.000 0.467 297 P HA 0.181 nan 4.420 nan 0.000 0.277 297 P C 0.659 177.984 177.300 0.041 0.000 1.240 297 P CA -0.160 62.969 63.100 0.049 0.000 0.798 297 P CB 1.296 33.015 31.700 0.031 0.000 0.979 298 T N 1.064 115.644 114.554 0.043 0.000 2.699 298 T HA -0.172 4.177 4.350 -0.000 0.000 0.268 298 T C 1.671 176.384 174.700 0.021 0.000 1.036 298 T CA 2.076 64.197 62.100 0.034 0.000 1.147 298 T CB -0.928 67.963 68.868 0.038 0.000 0.862 298 T HN 0.638 nan 8.240 nan 0.000 0.446 299 N N 1.374 120.086 118.700 0.020 0.000 2.430 299 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 299 N C 1.535 177.054 175.510 0.016 0.000 1.032 299 N CA 1.159 54.220 53.050 0.018 0.000 0.893 299 N CB -0.253 38.244 38.487 0.017 0.000 0.957 299 N HN 0.514 nan 8.380 nan 0.000 0.442 300 E N 0.049 120.257 120.200 0.015 0.000 2.385 300 E HA 0.186 4.536 4.350 -0.000 0.000 0.194 300 E C 0.074 176.676 176.600 0.005 0.000 1.013 300 E CA -0.154 56.253 56.400 0.012 0.000 0.866 300 E CB 0.223 29.930 29.700 0.012 0.000 0.832 300 E HN 0.375 nan 8.360 nan 0.000 0.500 301 I N 2.076 122.647 120.570 0.000 0.000 2.294 301 I HA -0.010 4.160 4.170 -0.000 0.000 0.295 301 I C 1.386 177.481 176.117 -0.037 0.000 1.098 301 I CA -0.069 61.220 61.300 -0.018 0.000 1.277 301 I CB 1.173 39.163 38.000 -0.016 0.000 1.434 301 I HN 0.063 nan 8.210 nan 0.000 0.498 302 T N 1.864 116.385 114.554 -0.054 0.000 3.067 302 T HA 0.024 4.374 4.350 -0.000 0.000 0.261 302 T C 0.480 175.037 174.700 -0.239 0.000 1.110 302 T CA 0.221 62.281 62.100 -0.067 0.000 1.113 302 T CB 0.014 68.872 68.868 -0.018 0.000 0.917 302 T HN 0.712 nan 8.240 nan 0.000 0.499 303 Q N -0.368 119.231 119.800 -0.334 0.000 2.522 303 Q HA 0.563 4.903 4.340 -0.000 0.000 0.285 303 Q C -3.480 172.384 176.000 -0.226 0.000 0.982 303 Q CA -2.461 52.993 55.803 -0.582 0.000 0.805 303 Q CB 0.841 28.820 28.738 -1.265 0.000 1.457 303 Q HN -0.091 nan 8.270 nan 0.000 0.394 304 P HA 0.042 nan 4.420 nan 0.000 0.264 304 P C -0.762 176.563 177.300 0.041 0.000 1.183 304 P CA 0.395 63.509 63.100 0.024 0.000 0.763 304 P CB 0.360 32.156 31.700 0.160 0.000 0.807 305 I N 2.901 123.489 120.570 0.031 0.000 2.395 305 I HA 0.108 4.278 4.170 -0.000 0.000 0.289 305 I C 1.340 177.494 176.117 0.062 0.000 1.023 305 I CA 0.208 61.532 61.300 0.040 0.000 1.350 305 I CB 1.194 39.209 38.000 0.024 0.000 1.409 305 I HN 0.435 nan 8.210 nan 0.000 0.507 306 T N -0.064 114.533 114.554 0.072 0.000 3.043 306 T HA 0.240 4.590 4.350 -0.000 0.000 0.272 306 T C 0.220 174.937 174.700 0.029 0.000 0.990 306 T CA -0.164 61.982 62.100 0.077 0.000 0.897 306 T CB 0.109 69.068 68.868 0.151 0.000 1.111 306 T HN 0.633 nan 8.240 nan 0.000 0.529 307 S N 0.419 116.128 115.700 0.014 0.000 2.587 307 S HA 0.712 5.182 4.470 -0.000 0.000 0.269 307 S C -1.563 173.050 174.600 0.022 0.000 1.154 307 S CA -1.076 57.124 58.200 0.000 0.000 0.824 307 S CB 1.654 64.859 63.200 0.007 0.000 1.118 307 S HN 0.526 nan 8.310 nan 0.000 0.462 308 I N 1.169 121.767 120.570 0.046 0.000 2.582 308 I HA 0.718 4.888 4.170 -0.000 0.000 0.292 308 I C -1.610 174.585 176.117 0.129 0.000 1.066 308 I CA -0.672 60.687 61.300 0.099 0.000 1.053 308 I CB 1.823 39.888 38.000 0.108 0.000 1.241 308 I HN 1.007 nan 8.210 nan 0.000 0.421 309 K N 6.397 126.819 120.400 0.036 0.000 2.469 309 K HA 0.589 4.909 4.320 -0.000 0.000 0.254 309 K C -2.109 174.339 176.600 -0.252 0.000 0.939 309 K CA -0.952 55.217 56.287 -0.196 0.000 0.812 309 K CB 2.566 34.983 32.500 -0.138 0.000 1.301 309 K HN 0.489 nan 8.250 nan 0.000 0.433 310 L N 1.223 122.052 121.223 -0.656 0.000 2.313 310 L HA 0.435 4.775 4.340 -0.000 0.000 0.283 310 L C -0.934 175.837 176.870 -0.165 0.000 1.013 310 L CA -0.034 54.604 54.840 -0.337 0.000 0.816 310 L CB 1.645 43.459 42.059 -0.408 0.000 1.236 310 L HN 0.837 nan 8.230 nan 0.000 0.419 311 E N 4.694 124.913 120.200 0.033 0.000 2.179 311 E HA 0.573 4.923 4.350 -0.000 0.000 0.275 311 E C -1.250 175.374 176.600 0.041 0.000 0.945 311 E CA -0.489 55.950 56.400 0.064 0.000 0.792 311 E CB 1.556 31.385 29.700 0.214 0.000 1.125 311 E HN 0.576 nan 8.360 nan 0.000 0.397 312 I N 3.480 124.067 120.570 0.027 0.000 2.447 312 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 312 I C -0.917 175.196 176.117 -0.006 0.000 1.023 312 I CA -0.944 60.355 61.300 -0.000 0.000 1.083 312 I CB 1.945 39.965 38.000 0.032 0.000 1.245 312 I HN 0.211 nan 8.210 nan 0.000 0.434 313 V N 5.184 125.084 119.914 -0.024 0.000 2.347 313 V HA 0.306 4.426 4.120 -0.000 0.000 0.280 313 V C 0.174 176.272 176.094 0.006 0.000 1.021 313 V CA -0.279 62.024 62.300 0.004 0.000 0.847 313 V CB 1.624 33.450 31.823 0.005 0.000 0.990 313 V HN 0.710 nan 8.190 nan 0.000 0.444 314 T N 4.361 118.963 114.554 0.081 0.000 2.767 314 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 314 T C -0.013 174.793 174.700 0.177 0.000 0.963 314 T CA -0.225 61.979 62.100 0.173 0.000 1.019 314 T CB 0.992 70.114 68.868 0.423 0.000 0.923 314 T HN 0.678 nan 8.240 nan 0.000 0.468 315 S N 2.634 118.423 115.700 0.149 0.000 2.570 315 S HA 0.565 5.035 4.470 -0.000 0.000 0.286 315 S C -0.742 173.979 174.600 0.201 0.000 1.099 315 S CA -1.018 57.285 58.200 0.171 0.000 0.913 315 S CB 2.089 65.358 63.200 0.115 0.000 1.085 315 S HN 0.604 nan 8.310 nan 0.000 0.480 316 K N 1.687 122.257 120.400 0.283 0.000 2.425 316 K HA 0.355 4.675 4.320 -0.000 0.000 0.259 316 K C 1.122 177.799 176.600 0.130 0.000 0.978 316 K CA -0.420 55.980 56.287 0.188 0.000 0.883 316 K CB 0.858 33.455 32.500 0.163 0.000 1.110 316 K HN 0.756 nan 8.250 nan 0.000 0.436 317 S N 2.781 118.527 115.700 0.077 0.000 2.398 317 S HA -0.138 4.331 4.470 -0.000 0.000 0.220 317 S C 1.365 175.966 174.600 0.002 0.000 1.038 317 S CA 1.076 59.306 58.200 0.049 0.000 1.080 317 S CB -0.741 62.479 63.200 0.033 0.000 1.039 317 S HN 0.691 nan 8.310 nan 0.000 0.419 318 G N 2.146 110.932 108.800 -0.023 0.000 3.316 318 G HA2 0.518 4.478 3.960 -0.000 0.000 0.255 318 G HA3 0.518 4.478 3.960 -0.000 0.000 0.255 318 G C 0.117 174.930 174.900 -0.145 0.000 0.880 318 G CA -0.128 44.936 45.100 -0.061 0.000 1.956 318 G HN 0.738 nan 8.290 nan 0.000 0.634 319 G N -0.093 108.540 108.800 -0.279 0.000 2.441 319 G HA2 0.652 4.612 3.960 -0.000 0.000 0.334 319 G HA3 0.652 4.612 3.960 -0.000 0.000 0.334 319 G C -0.561 173.841 174.900 -0.830 0.000 1.161 319 G CA -0.748 43.965 45.100 -0.644 0.000 0.935 319 G HN 0.699 nan 8.290 nan 0.000 0.488 320 Q N -0.574 118.768 119.800 -0.763 0.000 2.501 320 Q HA 0.712 5.052 4.340 -0.000 0.000 0.288 320 Q C -0.346 175.567 176.000 -0.144 0.000 1.051 320 Q CA -1.011 54.570 55.803 -0.371 0.000 0.788 320 Q CB 1.658 30.305 28.738 -0.150 0.000 1.469 320 Q HN 0.981 nan 8.270 nan 0.000 0.416 321 A N 0.495 123.388 122.820 0.123 0.000 2.591 321 A HA 0.363 4.683 4.320 -0.000 0.000 0.244 321 A C 1.288 178.942 177.584 0.117 0.000 1.031 321 A CA 1.230 53.389 52.037 0.204 0.000 0.767 321 A CB -1.342 17.734 19.000 0.126 0.000 0.942 321 A HN 1.824 nan 8.150 nan 0.000 0.514 322 G N 1.915 110.799 108.800 0.141 0.000 2.254 322 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.225 322 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.225 322 G C 0.108 175.052 174.900 0.073 0.000 1.003 322 G CA 0.234 45.381 45.100 0.078 0.000 0.622 322 G HN 0.868 nan 8.290 nan 0.000 0.507 323 D N 1.771 122.223 120.400 0.087 0.000 2.525 323 D HA 0.350 4.990 4.640 -0.000 0.000 0.235 323 D C 0.932 177.286 176.300 0.091 0.000 1.137 323 D CA 0.717 54.753 54.000 0.060 0.000 0.868 323 D CB 0.603 41.396 40.800 -0.013 0.000 1.180 323 D HN 0.416 nan 8.370 nan 0.000 0.465 324 Q N 1.544 121.372 119.800 0.046 0.000 2.293 324 Q HA 0.468 4.808 4.340 -0.000 0.000 0.251 324 Q C -0.085 175.946 176.000 0.052 0.000 0.930 324 Q CA 0.235 56.053 55.803 0.025 0.000 0.893 324 Q CB 1.324 30.059 28.738 -0.005 0.000 1.215 324 Q HN 0.335 nan 8.270 nan 0.000 0.425 325 M N 1.570 121.188 119.600 0.029 0.000 2.263 325 M HA 0.566 5.046 4.480 -0.000 0.000 0.295 325 M C -1.170 175.119 176.300 -0.019 0.000 1.028 325 M CA -0.577 54.777 55.300 0.089 0.000 0.921 325 M CB 2.193 34.907 32.600 0.190 0.000 1.601 325 M HN 0.795 nan 8.290 nan 0.000 0.440 326 S N 3.253 118.997 115.700 0.073 0.000 2.552 326 S HA 0.861 5.331 4.470 -0.000 0.000 0.272 326 S C -2.025 172.699 174.600 0.205 0.000 1.150 326 S CA -0.782 57.397 58.200 -0.035 0.000 0.849 326 S CB 2.088 65.221 63.200 -0.113 0.000 1.113 326 S HN 0.956 nan 8.310 nan 0.000 0.458 327 W N 0.240 121.697 121.300 0.261 0.000 3.059 327 W HA 0.708 5.368 4.660 -0.000 0.000 0.329 327 W C -1.496 175.160 176.519 0.229 0.000 1.246 327 W CA -0.432 57.069 57.345 0.261 0.000 1.190 327 W CB 0.801 30.467 29.460 0.343 0.000 1.423 327 W HN 1.128 nan 8.180 nan 0.000 0.571 328 S N 1.256 117.358 115.700 0.670 0.000 2.500 328 S HA 0.864 5.334 4.470 -0.000 0.000 0.301 328 S C -1.023 173.828 174.600 0.418 0.000 1.092 328 S CA -0.036 58.429 58.200 0.442 0.000 1.030 328 S CB 1.526 64.879 63.200 0.254 0.000 1.031 328 S HN 1.215 nan 8.310 nan 0.000 0.483 329 A N 2.672 125.669 122.820 0.296 0.000 2.469 329 A HA 0.914 5.234 4.320 -0.000 0.000 0.299 329 A C -0.567 176.956 177.584 -0.102 0.000 1.098 329 A CA -0.721 51.218 52.037 -0.164 0.000 0.737 329 A CB 1.922 20.575 19.000 -0.579 0.000 1.312 329 A HN 0.852 nan 8.150 nan 0.000 0.414 330 S N -1.114 114.442 115.700 -0.239 0.000 2.536 330 S HA 0.911 5.381 4.470 -0.000 0.000 0.271 330 S C -0.315 174.193 174.600 -0.153 0.000 1.134 330 S CA 0.041 58.167 58.200 -0.125 0.000 0.897 330 S CB 2.070 65.220 63.200 -0.084 0.000 1.094 330 S HN 2.180 nan 8.310 nan 0.000 0.473 331 G N 0.925 109.667 108.800 -0.096 0.000 2.340 331 G HA2 0.494 4.454 3.960 -0.000 0.000 0.298 331 G HA3 0.494 4.454 3.960 -0.000 0.000 0.298 331 G C -1.745 173.099 174.900 -0.094 0.000 1.498 331 G CA -0.566 44.481 45.100 -0.088 0.000 0.847 331 G HN 0.677 nan 8.290 nan 0.000 0.594 332 S N -0.684 114.956 115.700 -0.100 0.000 2.541 332 S HA 0.818 5.288 4.470 -0.000 0.000 0.280 332 S C -0.470 174.028 174.600 -0.169 0.000 1.112 332 S CA -0.659 57.463 58.200 -0.131 0.000 0.925 332 S CB 1.569 64.715 63.200 -0.091 0.000 1.067 332 S HN 0.661 nan 8.310 nan 0.000 0.479 333 L N 1.436 122.523 121.223 -0.226 0.000 2.323 333 L HA 0.949 5.289 4.340 -0.000 0.000 0.265 333 L C -0.357 176.425 176.870 -0.147 0.000 1.012 333 L CA -1.075 53.610 54.840 -0.258 0.000 0.820 333 L CB 1.758 43.574 42.059 -0.406 0.000 1.334 333 L HN 0.725 nan 8.230 nan 0.000 0.427 334 A N 1.485 124.253 122.820 -0.087 0.000 2.335 334 A HA 0.743 5.062 4.320 -0.000 0.000 0.304 334 A C -0.950 176.633 177.584 -0.002 0.000 1.118 334 A CA -0.485 51.533 52.037 -0.032 0.000 0.757 334 A CB 1.415 20.405 19.000 -0.016 0.000 1.188 334 A HN 0.360 nan 8.150 nan 0.000 0.460 335 V N 2.576 122.515 119.914 0.042 0.000 2.370 335 V HA 0.462 4.582 4.120 -0.000 0.000 0.283 335 V C 0.133 176.265 176.094 0.064 0.000 1.023 335 V CA -0.214 62.129 62.300 0.072 0.000 0.857 335 V CB 1.428 33.325 31.823 0.124 0.000 0.985 335 V HN 0.863 nan 8.190 nan 0.000 0.443 336 T N 6.558 121.098 114.554 -0.023 0.000 2.770 336 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 336 T C -0.107 174.446 174.700 -0.244 0.000 0.997 336 T CA -0.269 61.767 62.100 -0.107 0.000 0.949 336 T CB 0.451 69.257 68.868 -0.102 0.000 0.941 336 T HN 0.310 nan 8.240 nan 0.000 0.457 337 I N 4.794 125.281 120.570 -0.138 0.000 2.281 337 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 337 I C 0.737 176.786 176.117 -0.113 0.000 1.085 337 I CA -0.841 60.386 61.300 -0.123 0.000 1.257 337 I CB -0.316 37.696 38.000 0.019 0.000 1.430 337 I HN 0.557 nan 8.210 nan 0.000 0.489 338 H N 5.294 124.386 119.070 0.037 0.000 3.157 338 H HA 0.044 4.599 4.556 -0.000 0.000 0.299 338 H C 1.513 176.853 175.328 0.020 0.000 0.961 338 H CA 0.964 57.027 56.048 0.024 0.000 1.428 338 H CB 0.317 30.090 29.762 0.019 0.000 1.459 338 H HN 0.932 nan 8.280 nan 0.000 0.566 339 G N 2.727 111.607 108.800 0.134 0.000 2.180 339 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.263 339 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.263 339 G C 1.590 176.542 174.900 0.087 0.000 0.989 339 G CA 0.861 46.013 45.100 0.088 0.000 0.692 339 G HN 0.882 nan 8.290 nan 0.000 0.526 340 G N 0.297 109.135 108.800 0.063 0.000 2.442 340 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 340 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 340 G C 1.318 176.244 174.900 0.044 0.000 1.141 340 G CA 1.327 46.456 45.100 0.049 0.000 0.763 340 G HN 0.529 nan 8.290 nan 0.000 0.554 341 N N -0.757 117.962 118.700 0.031 0.000 2.383 341 N HA 0.056 4.795 4.740 -0.000 0.000 0.192 341 N C -0.304 175.224 175.510 0.029 0.000 1.141 341 N CA -0.410 52.644 53.050 0.006 0.000 0.851 341 N CB -0.090 38.378 38.487 -0.033 0.000 0.976 341 N HN 0.432 nan 8.380 nan 0.000 0.465 342 Y N 2.648 122.925 120.300 -0.039 0.000 2.569 342 Y HA 0.155 4.705 4.550 -0.000 0.000 0.332 342 Y C -2.108 173.760 175.900 -0.054 0.000 1.120 342 Y CA -2.028 56.044 58.100 -0.047 0.000 1.416 342 Y CB 0.507 38.929 38.460 -0.062 0.000 1.210 342 Y HN -0.010 nan 8.280 nan 0.000 0.528 343 P HA 0.060 nan 4.420 nan 0.000 0.260 343 P C 0.489 177.700 177.300 -0.148 0.000 1.185 343 P CA 2.132 65.056 63.100 -0.293 0.000 0.763 343 P CB 0.367 31.842 31.700 -0.374 0.000 0.776 344 G N 3.243 112.047 108.800 0.006 0.000 2.254 344 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.225 344 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.225 344 G C 1.192 176.193 174.900 0.169 0.000 1.003 344 G CA 0.330 45.493 45.100 0.105 0.000 0.622 344 G HN 0.617 nan 8.290 nan 0.000 0.507 345 A N -0.237 122.668 122.820 0.141 0.000 1.930 345 A HA 0.529 4.849 4.320 -0.000 0.000 0.217 345 A C 2.252 179.944 177.584 0.179 0.000 1.175 345 A CA 2.006 54.098 52.037 0.091 0.000 0.627 345 A CB -0.198 18.844 19.000 0.070 0.000 0.815 345 A HN 0.891 nan 8.150 nan 0.000 0.443 346 L N -2.460 118.852 121.223 0.148 0.000 2.885 346 L HA 0.212 4.552 4.340 -0.000 0.000 0.251 346 L C 0.691 177.682 176.870 0.202 0.000 1.071 346 L CA -0.057 54.870 54.840 0.146 0.000 0.956 346 L CB 0.355 42.483 42.059 0.114 0.000 1.483 346 L HN 0.455 nan 8.230 nan 0.000 0.525 347 R N 0.579 121.165 120.500 0.142 0.000 2.807 347 R HA 0.599 4.939 4.340 -0.000 0.000 0.276 347 R C -2.969 173.383 176.300 0.087 0.000 0.979 347 R CA -1.696 54.468 56.100 0.106 0.000 0.928 347 R CB 1.500 31.804 30.300 0.007 0.000 1.191 347 R HN -0.291 nan 8.270 nan 0.000 0.471 348 P HA 0.230 nan 4.420 nan 0.000 0.297 348 P C -0.772 176.633 177.300 0.174 0.000 1.307 348 P CA -0.604 62.533 63.100 0.062 0.000 0.773 348 P CB 1.146 32.848 31.700 0.003 0.000 1.265 349 V N -4.658 115.368 119.914 0.187 0.000 2.789 349 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 349 V C -0.511 175.661 176.094 0.129 0.000 1.073 349 V CA -0.533 61.872 62.300 0.176 0.000 0.921 349 V CB 1.449 33.382 31.823 0.183 0.000 1.009 349 V HN 0.442 nan 8.190 nan 0.000 0.426 350 T N 5.882 120.483 114.554 0.078 0.000 2.786 350 T HA 0.648 4.998 4.350 -0.000 0.000 0.283 350 T C -0.470 174.258 174.700 0.047 0.000 0.992 350 T CA -0.359 61.793 62.100 0.087 0.000 0.954 350 T CB 0.945 69.883 68.868 0.116 0.000 0.934 350 T HN 0.615 nan 8.240 nan 0.000 0.440 351 L N 3.576 124.799 121.223 0.001 0.000 2.307 351 L HA 0.668 5.008 4.340 -0.000 0.000 0.284 351 L C -0.501 176.366 176.870 -0.005 0.000 1.023 351 L CA -1.088 53.712 54.840 -0.066 0.000 0.810 351 L CB 1.609 43.593 42.059 -0.125 0.000 1.231 351 L HN 0.322 nan 8.230 nan 0.000 0.423 352 V N 2.496 122.413 119.914 0.005 0.000 2.350 352 V HA 0.633 4.753 4.120 -0.000 0.000 0.285 352 V C 0.251 176.390 176.094 0.076 0.000 1.014 352 V CA -0.454 61.893 62.300 0.079 0.000 0.831 352 V CB 1.531 33.459 31.823 0.176 0.000 1.000 352 V HN 0.908 nan 8.190 nan 0.000 0.433 353 A N 5.372 128.238 122.820 0.077 0.000 2.337 353 A HA 0.975 5.295 4.320 -0.000 0.000 0.329 353 A C -1.092 176.678 177.584 0.310 0.000 1.146 353 A CA -0.520 51.580 52.037 0.105 0.000 0.800 353 A CB 1.242 20.288 19.000 0.076 0.000 1.220 353 A HN 1.046 nan 8.150 nan 0.000 0.472 354 Y N -0.434 120.060 120.300 0.323 0.000 2.545 354 Y HA 0.781 5.331 4.550 -0.000 0.000 0.348 354 Y C -0.491 175.485 175.900 0.127 0.000 1.002 354 Y CA -1.061 57.202 58.100 0.272 0.000 1.039 354 Y CB 1.308 39.863 38.460 0.159 0.000 1.271 354 Y HN 0.871 nan 8.280 nan 0.000 0.467 355 E N 0.570 120.839 120.200 0.115 0.000 2.413 355 E HA 0.687 5.037 4.350 -0.000 0.000 0.277 355 E C -0.749 175.826 176.600 -0.043 0.000 0.958 355 E CA -1.467 54.876 56.400 -0.096 0.000 0.779 355 E CB 1.882 31.276 29.700 -0.510 0.000 1.278 355 E HN 0.614 nan 8.360 nan 0.000 0.456 356 R N -0.670 119.815 120.500 -0.025 0.000 3.878 356 R HA -0.105 4.235 4.340 -0.000 0.000 0.330 356 R C -0.931 175.385 176.300 0.027 0.000 1.186 356 R CA 0.889 56.980 56.100 -0.014 0.000 0.885 356 R CB -2.207 28.063 30.300 -0.049 0.000 1.377 356 R HN 0.415 nan 8.270 nan 0.000 0.523 357 V N 0.877 120.836 119.914 0.076 0.000 2.546 357 V HA 0.576 4.696 4.120 -0.000 0.000 0.284 357 V C 1.199 177.313 176.094 0.033 0.000 1.050 357 V CA -0.299 62.028 62.300 0.045 0.000 0.981 357 V CB 1.517 33.351 31.823 0.018 0.000 0.990 357 V HN 0.381 nan 8.190 nan 0.000 0.474 358 A N 4.098 126.925 122.820 0.011 0.000 2.546 358 A HA 0.272 4.592 4.320 -0.000 0.000 0.243 358 A C 0.795 178.388 177.584 0.015 0.000 1.063 358 A CA 0.113 52.156 52.037 0.010 0.000 0.757 358 A CB -0.363 18.638 19.000 0.002 0.000 0.991 358 A HN 0.865 nan 8.150 nan 0.000 0.503 359 T N 1.917 116.484 114.554 0.022 0.000 2.934 359 T HA 0.406 4.756 4.350 -0.000 0.000 0.306 359 T C 1.597 176.307 174.700 0.018 0.000 1.042 359 T CA 1.447 63.564 62.100 0.029 0.000 1.145 359 T CB 0.540 69.423 68.868 0.026 0.000 0.982 359 T HN 2.059 nan 8.240 nan 0.000 0.544 360 G N 2.706 111.519 108.800 0.020 0.000 2.199 360 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 360 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 360 G C 0.451 175.350 174.900 -0.002 0.000 0.982 360 G CA 0.140 45.246 45.100 0.011 0.000 0.632 360 G HN 0.806 nan 8.290 nan 0.000 0.529 361 S N -0.828 114.864 115.700 -0.013 0.000 2.608 361 S HA 0.556 5.026 4.470 -0.000 0.000 0.261 361 S C 0.425 174.995 174.600 -0.049 0.000 1.314 361 S CA -0.053 58.127 58.200 -0.033 0.000 0.992 361 S CB 2.101 65.271 63.200 -0.049 0.000 0.935 361 S HN 0.754 nan 8.310 nan 0.000 0.564 362 V N 2.028 121.908 119.914 -0.057 0.000 2.398 362 V HA 0.324 4.444 4.120 -0.000 0.000 0.286 362 V C -0.379 175.653 176.094 -0.104 0.000 1.026 362 V CA -0.633 61.627 62.300 -0.067 0.000 0.868 362 V CB 1.492 33.291 31.823 -0.040 0.000 0.982 362 V HN 0.628 nan 8.190 nan 0.000 0.443 363 V N 4.426 124.248 119.914 -0.153 0.000 2.333 363 V HA 0.294 4.414 4.120 -0.000 0.000 0.274 363 V C 0.507 176.537 176.094 -0.107 0.000 1.028 363 V CA -0.149 62.038 62.300 -0.188 0.000 0.851 363 V CB 1.531 33.141 31.823 -0.355 0.000 1.000 363 V HN 0.948 nan 8.190 nan 0.000 0.456 364 T N 5.342 119.864 114.554 -0.054 0.000 2.771 364 T HA 0.493 4.843 4.350 -0.000 0.000 0.291 364 T C -0.123 174.595 174.700 0.030 0.000 0.954 364 T CA -0.197 61.899 62.100 -0.007 0.000 1.045 364 T CB 1.257 70.122 68.868 -0.005 0.000 0.917 364 T HN 0.358 nan 8.240 nan 0.000 0.484 365 V N 2.521 122.483 119.914 0.080 0.000 2.459 365 V HA 0.844 4.964 4.120 -0.000 0.000 0.295 365 V C -0.056 176.113 176.094 0.125 0.000 1.029 365 V CA -0.917 61.465 62.300 0.136 0.000 0.874 365 V CB 1.396 33.354 31.823 0.226 0.000 0.985 365 V HN 1.053 nan 8.190 nan 0.000 0.438 366 A N 3.283 126.152 122.820 0.082 0.000 2.429 366 A HA 0.953 5.273 4.320 -0.000 0.000 0.289 366 A C -0.162 177.433 177.584 0.018 0.000 1.043 366 A CA 0.128 52.196 52.037 0.051 0.000 0.722 366 A CB 1.665 20.680 19.000 0.025 0.000 1.243 366 A HN 1.293 nan 8.150 nan 0.000 0.415 367 G N -0.303 108.513 108.800 0.026 0.000 2.687 367 G HA2 0.666 4.626 3.960 -0.000 0.000 0.291 367 G HA3 0.666 4.626 3.960 -0.000 0.000 0.291 367 G C -1.773 173.130 174.900 0.006 0.000 1.420 367 G CA -0.496 44.594 45.100 -0.016 0.000 0.796 367 G HN 1.203 nan 8.290 nan 0.000 0.485 368 V N -0.023 119.877 119.914 -0.023 0.000 2.709 368 V HA 0.720 4.839 4.120 -0.000 0.000 0.308 368 V C -0.354 175.710 176.094 -0.049 0.000 1.062 368 V CA -0.727 61.568 62.300 -0.009 0.000 0.901 368 V CB 1.989 33.803 31.823 -0.016 0.000 1.003 368 V HN 0.757 nan 8.190 nan 0.000 0.425 369 S N 3.651 119.328 115.700 -0.040 0.000 2.502 369 S HA 0.573 5.043 4.470 -0.000 0.000 0.304 369 S C -0.697 173.664 174.600 -0.398 0.000 1.097 369 S CA -0.786 57.275 58.200 -0.232 0.000 1.045 369 S CB 1.172 64.304 63.200 -0.114 0.000 1.019 369 S HN 0.748 nan 8.310 nan 0.000 0.481 370 N N 2.033 120.395 118.700 -0.564 0.000 2.372 370 N HA 0.619 5.359 4.740 -0.000 0.000 0.291 370 N C -1.387 173.769 175.510 -0.592 0.000 1.024 370 N CA -0.204 52.618 53.050 -0.380 0.000 0.873 370 N CB 1.200 39.592 38.487 -0.158 0.000 1.206 370 N HN 0.384 nan 8.380 nan 0.000 0.486 371 F N -0.153 119.805 119.950 0.012 0.000 2.620 371 F HA 0.415 4.942 4.527 -0.000 0.000 0.320 371 F C 0.529 176.318 175.800 -0.020 0.000 1.069 371 F CA -0.899 57.091 58.000 -0.018 0.000 0.953 371 F CB 1.731 40.697 39.000 -0.057 0.000 1.322 371 F HN 0.139 nan 8.300 nan 0.000 0.479 372 E N 1.892 122.190 120.200 0.163 0.000 2.151 372 E HA 0.698 5.047 4.350 -0.000 0.000 0.275 372 E C -1.322 175.386 176.600 0.179 0.000 0.936 372 E CA -0.519 55.933 56.400 0.086 0.000 0.777 372 E CB 1.947 31.511 29.700 -0.227 0.000 1.108 372 E HN 0.415 nan 8.360 nan 0.000 0.401 373 L N 3.007 124.348 121.223 0.196 0.000 2.359 373 L HA 0.610 4.950 4.340 -0.000 0.000 0.256 373 L C -0.748 176.256 176.870 0.222 0.000 1.026 373 L CA -0.878 54.027 54.840 0.108 0.000 0.828 373 L CB 1.925 43.725 42.059 -0.432 0.000 1.406 373 L HN 0.438 nan 8.230 nan 0.000 0.413 374 I N 3.011 123.741 120.570 0.265 0.000 2.418 374 I HA 0.348 4.518 4.170 -0.000 0.000 0.287 374 I C -2.240 174.100 176.117 0.373 0.000 1.008 374 I CA -1.842 59.602 61.300 0.241 0.000 1.104 374 I CB 2.391 40.475 38.000 0.140 0.000 1.264 374 I HN 0.289 nan 8.210 nan 0.000 0.438 375 P HA 0.051 nan 4.420 nan 0.000 0.272 375 P C -1.058 176.286 177.300 0.074 0.000 1.223 375 P CA -0.302 62.917 63.100 0.198 0.000 0.784 375 P CB 0.519 32.271 31.700 0.087 0.000 0.923 376 N N 2.183 120.857 118.700 -0.042 0.000 2.347 376 N HA 0.112 4.852 4.740 -0.000 0.000 0.253 376 N C -1.944 173.550 175.510 -0.027 0.000 1.274 376 N CA -1.625 51.409 53.050 -0.027 0.000 0.941 376 N CB -1.481 36.965 38.487 -0.067 0.000 1.200 376 N HN 0.155 nan 8.380 nan 0.000 0.514 377 P HA -0.169 nan 4.420 nan 0.000 0.216 377 P C 0.988 178.272 177.300 -0.027 0.000 1.153 377 P CA 1.549 64.640 63.100 -0.015 0.000 0.858 377 P CB 0.159 31.852 31.700 -0.011 0.000 0.789 378 E N -0.826 119.350 120.200 -0.041 0.000 2.047 378 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 378 E C 1.781 178.350 176.600 -0.053 0.000 0.987 378 E CA 0.784 57.158 56.400 -0.044 0.000 0.799 378 E CB -1.154 28.517 29.700 -0.048 0.000 0.752 378 E HN 0.004 nan 8.360 nan 0.000 0.449 379 L N 0.060 121.234 121.223 -0.082 0.000 2.201 379 L HA 0.060 4.400 4.340 -0.000 0.000 0.212 379 L C 1.952 178.791 176.870 -0.050 0.000 1.105 379 L CA 1.701 56.485 54.840 -0.093 0.000 0.775 379 L CB -0.705 41.238 42.059 -0.193 0.000 0.913 379 L HN 0.160 nan 8.230 nan 0.000 0.440 380 A N -0.868 121.932 122.820 -0.034 0.000 2.070 380 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 380 A C 2.256 179.834 177.584 -0.010 0.000 1.159 380 A CA 1.606 53.637 52.037 -0.010 0.000 0.656 380 A CB -0.490 18.508 19.000 -0.003 0.000 0.800 380 A HN 0.503 nan 8.150 nan 0.000 0.453 381 K N -0.557 119.833 120.400 -0.016 0.000 2.283 381 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 381 K C 0.631 177.225 176.600 -0.010 0.000 1.048 381 K CA 1.087 57.366 56.287 -0.013 0.000 0.948 381 K CB 0.022 32.513 32.500 -0.015 0.000 0.742 381 K HN 0.416 nan 8.250 nan 0.000 0.458 382 N N -0.345 118.349 118.700 -0.010 0.000 2.143 382 N HA 0.116 4.856 4.740 -0.000 0.000 0.222 382 N C -0.682 174.832 175.510 0.005 0.000 1.264 382 N CA 0.084 53.131 53.050 -0.004 0.000 0.897 382 N CB 1.207 39.689 38.487 -0.008 0.000 1.092 382 N HN 0.015 nan 8.380 nan 0.000 0.516 383 L N 1.926 123.155 121.223 0.010 0.000 2.294 383 L HA 0.436 4.775 4.340 -0.000 0.000 0.283 383 L C -0.158 176.727 176.870 0.025 0.000 1.015 383 L CA -0.595 54.264 54.840 0.031 0.000 0.831 383 L CB 2.210 44.306 42.059 0.061 0.000 1.217 383 L HN -0.308 nan 8.230 nan 0.000 0.420 384 V N 2.611 122.536 119.914 0.017 0.000 2.637 384 V HA 0.221 4.341 4.120 -0.000 0.000 0.296 384 V C 0.724 176.810 176.094 -0.013 0.000 1.046 384 V CA -0.047 62.252 62.300 -0.002 0.000 1.066 384 V CB 1.524 33.344 31.823 -0.004 0.000 0.968 384 V HN 0.877 nan 8.190 nan 0.000 0.483 385 T N 2.199 116.724 114.554 -0.047 0.000 2.912 385 T HA 0.814 5.164 4.350 -0.000 0.000 0.288 385 T C -0.718 173.880 174.700 -0.169 0.000 1.030 385 T CA -0.855 61.188 62.100 -0.096 0.000 1.020 385 T CB 2.419 71.231 68.868 -0.094 0.000 1.056 385 T HN 0.677 nan 8.240 nan 0.000 0.480 386 E N -0.154 119.890 120.200 -0.260 0.000 2.446 386 E HA 0.325 4.675 4.350 -0.000 0.000 0.276 386 E C -0.483 175.875 176.600 -0.404 0.000 0.969 386 E CA -0.882 55.358 56.400 -0.267 0.000 0.800 386 E CB 1.563 31.184 29.700 -0.131 0.000 1.341 386 E HN 0.686 nan 8.360 nan 0.000 0.460 387 Y N 0.700 120.930 120.300 -0.117 0.000 2.395 387 Y HA 0.155 4.705 4.550 -0.000 0.000 0.293 387 Y C 1.095 176.980 175.900 -0.026 0.000 1.123 387 Y CA 1.227 59.300 58.100 -0.046 0.000 1.227 387 Y CB 0.557 39.022 38.460 0.007 0.000 1.012 387 Y HN 0.708 nan 8.280 nan 0.000 0.552 388 G N 1.225 110.067 108.800 0.069 0.000 3.039 388 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 388 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 388 G C -0.511 174.489 174.900 0.167 0.000 1.066 388 G CA -0.552 44.611 45.100 0.104 0.000 0.774 388 G HN 0.374 nan 8.290 nan 0.000 0.591 389 R N 1.240 121.822 120.500 0.137 0.000 2.489 389 R HA 0.028 4.368 4.340 -0.000 0.000 0.287 389 R C -0.034 176.381 176.300 0.191 0.000 0.902 389 R CA 0.083 56.268 56.100 0.142 0.000 1.136 389 R CB -0.038 30.320 30.300 0.096 0.000 0.872 389 R HN 0.953 nan 8.270 nan 0.000 0.421 390 F N 4.746 124.718 119.950 0.036 0.000 2.438 390 F HA 0.203 4.730 4.527 -0.000 0.000 0.356 390 F C -0.519 175.293 175.800 0.021 0.000 1.099 390 F CA -0.851 57.162 58.000 0.023 0.000 1.185 390 F CB 0.925 39.931 39.000 0.010 0.000 1.115 390 F HN 0.571 nan 8.300 nan 0.000 0.526 391 D N 8.606 128.681 120.400 -0.542 0.000 2.405 391 D HA 0.318 4.957 4.640 -0.000 0.000 0.264 391 D C -1.850 174.082 176.300 -0.612 0.000 1.240 391 D CA -1.981 51.727 54.000 -0.487 0.000 0.893 391 D CB 1.307 42.004 40.800 -0.171 0.000 1.198 391 D HN 0.222 nan 8.370 nan 0.000 0.514 392 P HA -0.118 nan 4.420 nan 0.000 0.219 392 P C 1.131 178.313 177.300 -0.197 0.000 1.158 392 P CA 1.407 64.171 63.100 -0.562 0.000 0.895 392 P CB 0.362 31.821 31.700 -0.401 0.000 0.792 393 G N -2.150 106.563 108.800 -0.145 0.000 3.233 393 G HA2 0.271 4.231 3.960 -0.000 0.000 0.234 393 G HA3 0.271 4.231 3.960 -0.000 0.000 0.234 393 G C 1.368 176.287 174.900 0.032 0.000 1.137 393 G CA 0.502 45.585 45.100 -0.029 0.000 0.763 393 G HN 0.332 nan 8.290 nan 0.000 0.549 394 A N 0.918 123.732 122.820 -0.011 0.000 1.908 394 A HA -0.082 4.237 4.320 -0.000 0.000 0.218 394 A C 2.185 179.839 177.584 0.116 0.000 1.181 394 A CA 2.125 54.205 52.037 0.071 0.000 0.627 394 A CB -0.259 18.759 19.000 0.030 0.000 0.818 394 A HN 0.408 nan 8.150 nan 0.000 0.445 395 M N 0.325 119.938 119.600 0.023 0.000 2.132 395 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 395 M C 1.457 177.809 176.300 0.086 0.000 1.065 395 M CA 1.720 57.028 55.300 0.014 0.000 1.122 395 M CB -0.731 31.849 32.600 -0.033 0.000 1.365 395 M HN 0.388 nan 8.290 nan 0.000 0.411 396 N N -0.848 117.908 118.700 0.093 0.000 2.120 396 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 396 N C 1.737 177.326 175.510 0.132 0.000 1.024 396 N CA 1.485 54.595 53.050 0.100 0.000 0.852 396 N CB -0.680 37.861 38.487 0.089 0.000 1.003 396 N HN 0.521 nan 8.380 nan 0.000 0.424 397 Y N 1.887 122.225 120.300 0.064 0.000 2.224 397 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 397 Y C 2.332 178.305 175.900 0.121 0.000 1.146 397 Y CA 1.494 59.647 58.100 0.089 0.000 1.182 397 Y CB -0.468 38.047 38.460 0.092 0.000 0.983 397 Y HN 0.016 nan 8.280 nan 0.000 0.524 398 T N 0.066 114.762 114.554 0.237 0.000 2.746 398 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 398 T C 1.811 176.584 174.700 0.121 0.000 1.039 398 T CA 1.808 64.040 62.100 0.222 0.000 1.142 398 T CB -0.160 68.906 68.868 0.331 0.000 0.866 398 T HN 0.261 nan 8.240 nan 0.000 0.444 399 K N 0.424 120.883 120.400 0.099 0.000 2.057 399 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 399 K C 2.195 178.796 176.600 0.003 0.000 1.049 399 K CA 0.873 57.197 56.287 0.062 0.000 0.931 399 K CB -0.348 32.186 32.500 0.057 0.000 0.714 399 K HN 0.137 nan 8.250 nan 0.000 0.440 400 L N 1.371 122.567 121.223 -0.046 0.000 2.017 400 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 400 L C 1.896 178.697 176.870 -0.116 0.000 1.073 400 L CA 1.579 56.361 54.840 -0.096 0.000 0.745 400 L CB -0.366 41.595 42.059 -0.163 0.000 0.894 400 L HN 0.084 nan 8.230 nan 0.000 0.432 401 I N -0.275 120.188 120.570 -0.179 0.000 2.118 401 I HA -0.328 3.841 4.170 -0.000 0.000 0.241 401 I C 2.625 178.731 176.117 -0.019 0.000 1.070 401 I CA 1.687 62.923 61.300 -0.107 0.000 1.327 401 I CB -1.370 36.584 38.000 -0.076 0.000 1.034 401 I HN 0.325 nan 8.210 nan 0.000 0.405 402 L N 0.681 121.908 121.223 0.006 0.000 2.131 402 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 402 L C 2.705 179.572 176.870 -0.004 0.000 1.092 402 L CA 1.594 56.443 54.840 0.015 0.000 0.759 402 L CB -0.584 41.497 42.059 0.036 0.000 0.903 402 L HN 0.363 nan 8.230 nan 0.000 0.435 403 S N -1.099 114.595 115.700 -0.009 0.000 2.423 403 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 403 S C 1.460 176.052 174.600 -0.014 0.000 1.014 403 S CA 0.686 58.878 58.200 -0.014 0.000 0.965 403 S CB -0.120 63.072 63.200 -0.013 0.000 0.785 403 S HN 0.360 nan 8.310 nan 0.000 0.495 404 E N 1.045 121.237 120.200 -0.013 0.000 2.419 404 E HA 0.192 4.542 4.350 -0.000 0.000 0.190 404 E C 1.559 178.162 176.600 0.006 0.000 1.040 404 E CA -0.222 56.175 56.400 -0.004 0.000 0.900 404 E CB -0.179 29.520 29.700 -0.002 0.000 1.054 404 E HN 0.588 nan 8.360 nan 0.000 0.462 405 R N 1.350 121.848 120.500 -0.004 0.000 2.113 405 R HA -0.237 4.103 4.340 -0.000 0.000 0.244 405 R C 1.045 177.329 176.300 -0.027 0.000 1.142 405 R CA 1.773 57.866 56.100 -0.011 0.000 0.953 405 R CB 0.273 30.555 30.300 -0.030 0.000 0.860 405 R HN -0.005 nan 8.270 nan 0.000 0.438 406 E N -0.169 120.012 120.200 -0.031 0.000 2.072 406 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 406 E C 2.005 178.594 176.600 -0.019 0.000 0.985 406 E CA 1.403 57.779 56.400 -0.039 0.000 0.801 406 E CB -0.266 29.413 29.700 -0.036 0.000 0.750 406 E HN 0.357 nan 8.360 nan 0.000 0.452 407 R N 0.586 121.085 120.500 -0.002 0.000 2.096 407 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 407 R C 1.701 178.023 176.300 0.038 0.000 1.127 407 R CA 1.124 57.232 56.100 0.012 0.000 0.968 407 R CB -0.202 30.105 30.300 0.012 0.000 0.861 407 R HN 0.219 nan 8.270 nan 0.000 0.440 408 L N -0.005 121.254 121.223 0.061 0.000 2.509 408 L HA 0.224 4.564 4.340 -0.000 0.000 0.222 408 L C 1.022 177.983 176.870 0.151 0.000 1.123 408 L CA 0.487 55.408 54.840 0.135 0.000 0.856 408 L CB 0.053 42.219 42.059 0.178 0.000 0.985 408 L HN 0.603 nan 8.230 nan 0.000 0.456 409 G N 1.653 110.473 108.800 0.034 0.000 2.246 409 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.273 409 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.273 409 G C 0.134 174.895 174.900 -0.232 0.000 1.055 409 G CA -0.154 44.904 45.100 -0.070 0.000 0.851 409 G HN 0.332 nan 8.290 nan 0.000 0.500 410 I N 0.456 120.925 120.570 -0.167 0.000 2.347 410 I HA 0.227 4.397 4.170 -0.000 0.000 0.294 410 I C 0.828 176.694 176.117 -0.419 0.000 1.090 410 I CA 0.031 61.191 61.300 -0.233 0.000 1.314 410 I CB 0.513 38.507 38.000 -0.009 0.000 1.423 410 I HN 0.089 nan 8.210 nan 0.000 0.503 411 K N 3.325 123.176 120.400 -0.915 0.000 2.168 411 K HA 0.407 4.727 4.320 -0.000 0.000 0.239 411 K C 1.051 177.383 176.600 -0.447 0.000 0.999 411 K CA -0.590 55.172 56.287 -0.877 0.000 0.900 411 K CB 1.219 32.829 32.500 -1.484 0.000 1.111 411 K HN 0.570 nan 8.250 nan 0.000 0.452 412 T N -3.183 111.197 114.554 -0.290 0.000 3.037 412 T HA 0.094 4.444 4.350 -0.000 0.000 0.252 412 T C 0.535 175.205 174.700 -0.049 0.000 1.073 412 T CA -0.202 61.841 62.100 -0.094 0.000 1.091 412 T CB -0.086 68.739 68.868 -0.072 0.000 0.935 412 T HN 0.342 nan 8.240 nan 0.000 0.488 413 V N -1.521 118.302 119.914 -0.150 0.000 2.638 413 V HA 0.842 4.962 4.120 -0.000 0.000 0.306 413 V C -1.883 174.177 176.094 -0.055 0.000 1.052 413 V CA -1.642 60.648 62.300 -0.017 0.000 0.885 413 V CB 1.077 32.891 31.823 -0.016 0.000 0.999 413 V HN 0.359 nan 8.190 nan 0.000 0.424 414 W N 2.866 124.114 121.300 -0.086 0.000 2.962 414 W HA 0.769 5.429 4.660 -0.000 0.000 0.341 414 W C -2.943 173.575 176.519 -0.001 0.000 1.155 414 W CA -2.539 54.783 57.345 -0.039 0.000 1.165 414 W CB 1.456 30.906 29.460 -0.017 0.000 1.435 414 W HN 0.313 nan 8.180 nan 0.000 0.546 415 P HA 0.170 nan 4.420 nan 0.000 0.281 415 P C 0.807 178.240 177.300 0.223 0.000 1.252 415 P CA 0.174 63.392 63.100 0.196 0.000 0.778 415 P CB 1.072 32.872 31.700 0.167 0.000 0.895 416 T N 2.615 117.260 114.554 0.151 0.000 2.699 416 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 416 T C 1.730 176.508 174.700 0.129 0.000 1.036 416 T CA 1.446 63.623 62.100 0.129 0.000 1.147 416 T CB -0.361 68.554 68.868 0.079 0.000 0.862 416 T HN 0.484 nan 8.240 nan 0.000 0.446 417 R N 1.079 121.645 120.500 0.109 0.000 2.091 417 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 417 R C 2.191 178.553 176.300 0.102 0.000 1.136 417 R CA 1.812 57.961 56.100 0.082 0.000 0.959 417 R CB -0.172 30.174 30.300 0.076 0.000 0.856 417 R HN 0.486 nan 8.270 nan 0.000 0.437 418 E N -0.731 119.578 120.200 0.182 0.000 2.106 418 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 418 E C 1.693 178.438 176.600 0.242 0.000 0.984 418 E CA 1.129 57.685 56.400 0.261 0.000 0.806 418 E CB -0.187 29.738 29.700 0.376 0.000 0.750 418 E HN 0.393 nan 8.360 nan 0.000 0.458 419 Y N 1.633 121.924 120.300 -0.014 0.000 2.181 419 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 419 Y C 2.351 178.114 175.900 -0.230 0.000 1.146 419 Y CA 1.700 59.492 58.100 -0.513 0.000 1.164 419 Y CB -0.513 37.500 38.460 -0.746 0.000 0.982 419 Y HN -0.100 nan 8.280 nan 0.000 0.515 420 T N 0.281 114.700 114.554 -0.225 0.000 2.684 420 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 420 T C 1.294 175.846 174.700 -0.247 0.000 1.036 420 T CA 1.928 63.881 62.100 -0.246 0.000 1.148 420 T CB -0.408 68.401 68.868 -0.098 0.000 0.863 420 T HN 0.379 nan 8.240 nan 0.000 0.436 421 D N 0.197 120.499 120.400 -0.163 0.000 2.117 421 D HA -0.035 4.604 4.640 -0.000 0.000 0.197 421 D C 1.575 177.690 176.300 -0.310 0.000 0.987 421 D CA 0.648 54.474 54.000 -0.290 0.000 0.829 421 D CB -0.319 40.393 40.800 -0.148 0.000 0.961 421 D HN 0.356 nan 8.370 nan 0.000 0.460 422 F N 1.337 121.177 119.950 -0.183 0.000 2.161 422 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 422 F C 2.118 177.837 175.800 -0.135 0.000 1.089 422 F CA 1.343 59.333 58.000 -0.017 0.000 1.282 422 F CB 0.054 39.017 39.000 -0.063 0.000 1.010 422 F HN -0.211 nan 8.300 nan 0.000 0.485 423 R N 0.252 120.571 120.500 -0.302 0.000 2.096 423 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 423 R C 2.176 178.337 176.300 -0.232 0.000 1.127 423 R CA 1.860 57.761 56.100 -0.332 0.000 0.968 423 R CB -0.346 29.717 30.300 -0.396 0.000 0.861 423 R HN 0.428 nan 8.270 nan 0.000 0.440 424 E N -0.447 119.589 120.200 -0.272 0.000 2.015 424 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 424 E C 1.602 178.099 176.600 -0.173 0.000 0.991 424 E CA 1.218 57.472 56.400 -0.243 0.000 0.802 424 E CB -0.152 29.346 29.700 -0.337 0.000 0.759 424 E HN 0.321 nan 8.360 nan 0.000 0.447 425 Y N -0.797 119.435 120.300 -0.113 0.000 2.538 425 Y HA -0.185 4.365 4.550 -0.000 0.000 0.287 425 Y C 1.784 177.576 175.900 -0.180 0.000 1.157 425 Y CA 0.772 58.802 58.100 -0.117 0.000 1.338 425 Y CB -0.414 38.005 38.460 -0.068 0.000 0.970 425 Y HN 0.106 nan 8.280 nan 0.000 0.564 426 F N -1.039 118.776 119.950 -0.225 0.000 2.343 426 F HA 0.005 4.532 4.527 0.000 0.000 0.286 426 F C 2.296 178.008 175.800 -0.146 0.000 1.057 426 F CA 0.422 58.272 58.000 -0.250 0.000 1.365 426 F CB -0.133 38.608 39.000 -0.432 0.000 1.114 426 F HN -0.091 nan 8.300 nan 0.000 0.545 427 M N 0.604 120.160 119.600 -0.073 0.000 2.763 427 M HA -0.024 4.456 4.480 -0.000 0.000 0.244 427 M C -0.729 175.497 176.300 -0.123 0.000 1.065 427 M CA 1.182 56.431 55.300 -0.085 0.000 1.070 427 M CB -0.348 32.218 32.600 -0.057 0.000 1.494 427 M HN 0.125 nan 8.290 nan 0.000 0.546 428 E N 0.000 120.107 120.200 -0.155 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.329 56.400 -0.118 0.000 0.976 428 E CB 0.000 29.663 29.700 -0.061 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440