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_A DATA FIRST_RESID 11 DATA SEQUENCE IVPFIRSLLM PTTGPASIPD DTLEKHTLRS ETSTYNLTVG DTGSGLIVFF DATA SEQUENCE PGFPGSIVGA HYTLQSNGNY KFDQMLLTAQ NLPASYNYCR LVSRSLTVRS DATA SEQUENCE STLPGGVYAL NGTINAVTFQ GSLSELTDVS YNGLMSATAN INDKIGNVLV DATA SEQUENCE GEGVTVLSLP TSYDLGYVRL GDPIPAIGLD PKMVATCDSS DRPRVYTITA DATA SEQUENCE ADDYQFSSQY QSGGVTITLF SANIDAITSL SIGGELVFHT SVHGLALDAT DATA SEQUENCE IYLIGFDGTT VITRAVASDN GLTTGIDNLM PFNLVIPTNE ITQPITSIKL DATA SEQUENCE EIVTSKSGGQ AGDQMSWSAS GSLAVTIHGG NYPGALRPVT LVAYERVATG DATA SEQUENCE SVVTVAGVSN FELIPNPELA KNLVTEYGRF DPGAMNYTKL ILSERERLGI DATA SEQUENCE KTVWPTREYT DFREYFMEVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.092 176.117 -0.042 0.000 1.063 11 I CA 0.000 61.232 61.300 -0.114 0.000 1.566 11 I CB 0.000 37.908 38.000 -0.153 0.000 1.214 12 V N 8.963 128.850 119.914 -0.045 0.000 2.479 12 V HA 0.022 4.142 4.120 -0.000 0.000 0.284 12 V C -1.222 174.934 176.094 0.102 0.000 0.981 12 V CA -0.016 62.299 62.300 0.024 0.000 1.139 12 V CB 0.001 31.861 31.823 0.062 0.000 0.947 12 V HN 0.736 nan 8.190 nan 0.000 0.468 13 P HA -0.267 nan 4.420 nan 0.000 0.218 13 P C 1.597 178.970 177.300 0.122 0.000 1.154 13 P CA 1.645 64.802 63.100 0.096 0.000 0.872 13 P CB 0.064 31.816 31.700 0.087 0.000 0.790 14 F N 0.891 120.868 119.950 0.046 0.000 2.134 14 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 14 F C 2.214 178.058 175.800 0.073 0.000 1.097 14 F CA 1.218 59.242 58.000 0.039 0.000 1.264 14 F CB -0.800 38.202 39.000 0.003 0.000 1.001 14 F HN -0.276 nan 8.300 nan 0.000 0.479 15 I N 0.416 120.992 120.570 0.010 0.000 2.286 15 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 15 I C 2.562 178.641 176.117 -0.063 0.000 1.115 15 I CA 1.403 62.700 61.300 -0.006 0.000 1.392 15 I CB -1.329 36.874 38.000 0.338 0.000 1.065 15 I HN 0.211 nan 8.210 nan 0.000 0.418 16 R N 0.341 120.876 120.500 0.059 0.000 2.081 16 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 16 R C 2.591 178.828 176.300 -0.106 0.000 1.131 16 R CA 1.790 57.920 56.100 0.050 0.000 0.960 16 R CB -0.103 30.289 30.300 0.152 0.000 0.856 16 R HN 0.190 nan 8.270 nan 0.000 0.436 17 S N 0.263 115.871 115.700 -0.153 0.000 2.368 17 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 17 S C 1.831 176.274 174.600 -0.262 0.000 1.029 17 S CA 1.049 59.145 58.200 -0.174 0.000 0.988 17 S CB -0.254 62.863 63.200 -0.138 0.000 0.838 17 S HN 0.336 nan 8.310 nan 0.000 0.462 18 L N 1.757 122.695 121.223 -0.474 0.000 1.989 18 L HA 0.027 4.366 4.340 -0.000 0.000 0.211 18 L C 2.007 178.755 176.870 -0.204 0.000 1.071 18 L CA 1.942 56.536 54.840 -0.410 0.000 0.749 18 L CB -0.662 41.047 42.059 -0.582 0.000 0.890 18 L HN 0.386 nan 8.230 nan 0.000 0.431 19 L N -1.442 119.657 121.223 -0.207 0.000 2.341 19 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 19 L C 0.822 177.648 176.870 -0.074 0.000 1.115 19 L CA 0.473 55.237 54.840 -0.126 0.000 0.820 19 L CB -0.166 41.758 42.059 -0.225 0.000 0.944 19 L HN 0.299 nan 8.230 nan 0.000 0.452 20 M N -0.648 118.872 119.600 -0.133 0.000 2.693 20 M HA 0.236 4.716 4.480 -0.000 0.000 0.224 20 M C -1.959 174.311 176.300 -0.051 0.000 1.149 20 M CA -1.332 53.932 55.300 -0.060 0.000 0.622 20 M CB 1.391 33.921 32.600 -0.118 0.000 1.443 20 M HN -0.254 nan 8.290 nan 0.000 0.431 21 P HA -0.205 nan 4.420 nan 0.000 0.217 21 P C 1.477 178.752 177.300 -0.041 0.000 1.151 21 P CA 1.770 64.829 63.100 -0.067 0.000 0.849 21 P CB -0.173 31.474 31.700 -0.088 0.000 0.787 22 T N -4.408 110.134 114.554 -0.020 0.000 3.098 22 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 22 T C 1.455 176.154 174.700 -0.003 0.000 1.145 22 T CA 1.583 63.679 62.100 -0.008 0.000 1.092 22 T CB -1.559 67.312 68.868 0.005 0.000 0.908 22 T HN 0.232 nan 8.240 nan 0.000 0.526 23 T N -1.980 112.570 114.554 -0.007 0.000 3.113 23 T HA 0.511 4.861 4.350 -0.000 0.000 0.256 23 T C 1.181 175.886 174.700 0.009 0.000 1.131 23 T CA 0.153 62.255 62.100 0.002 0.000 1.074 23 T CB -0.426 68.446 68.868 0.006 0.000 0.944 23 T HN 1.100 nan 8.240 nan 0.000 0.516 24 G N 1.485 110.287 108.800 0.003 0.000 2.353 24 G HA2 0.276 4.236 3.960 -0.000 0.000 0.615 24 G HA3 0.276 4.236 3.960 -0.000 0.000 0.615 24 G C -3.406 171.502 174.900 0.013 0.000 1.280 24 G CA -0.654 44.456 45.100 0.016 0.000 1.000 24 G HN 0.315 nan 8.290 nan 0.000 0.516 25 P HA 0.776 nan 4.420 nan 0.000 0.284 25 P C -0.419 176.938 177.300 0.095 0.000 1.287 25 P CA 0.243 63.378 63.100 0.058 0.000 0.824 25 P CB 1.958 33.704 31.700 0.076 0.000 1.180 26 A N -0.282 122.628 122.820 0.150 0.000 2.608 26 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 26 A C -0.785 176.952 177.584 0.255 0.000 1.066 26 A CA -0.480 51.679 52.037 0.203 0.000 0.676 26 A CB 0.466 19.604 19.000 0.231 0.000 1.277 26 A HN 0.342 nan 8.150 nan 0.000 0.413 27 S N 0.596 116.430 115.700 0.223 0.000 2.565 27 S HA 0.455 4.925 4.470 -0.000 0.000 0.274 27 S C 0.264 174.837 174.600 -0.046 0.000 1.309 27 S CA -0.274 58.025 58.200 0.166 0.000 1.043 27 S CB 0.276 63.628 63.200 0.254 0.000 0.939 27 S HN 0.468 nan 8.310 nan 0.000 0.504 28 I N 4.998 125.424 120.570 -0.239 0.000 2.587 28 I HA 0.102 4.272 4.170 -0.000 0.000 0.284 28 I C -1.446 174.335 176.117 -0.561 0.000 1.134 28 I CA -1.405 59.458 61.300 -0.728 0.000 1.410 28 I CB 0.414 38.088 38.000 -0.544 0.000 1.392 28 I HN 0.428 nan 8.210 nan 0.000 0.545 29 P HA 0.045 nan 4.420 nan 0.000 0.228 29 P C -1.030 176.112 177.300 -0.263 0.000 1.748 29 P CA -0.148 62.748 63.100 -0.339 0.000 0.909 29 P CB -0.426 31.101 31.700 -0.289 0.000 1.882 30 D N -0.846 119.414 120.400 -0.233 0.000 2.570 30 D HA 0.148 4.788 4.640 -0.000 0.000 0.266 30 D C 0.460 176.742 176.300 -0.030 0.000 1.182 30 D CA -0.417 53.510 54.000 -0.123 0.000 1.088 30 D CB -0.117 40.617 40.800 -0.111 0.000 1.186 30 D HN -0.215 nan 8.370 nan 0.000 0.618 31 D N -1.260 119.140 120.400 0.001 0.000 2.340 31 D HA 0.067 4.707 4.640 -0.000 0.000 0.217 31 D C -0.075 176.252 176.300 0.045 0.000 1.081 31 D CA 0.297 54.310 54.000 0.022 0.000 0.842 31 D CB 0.050 40.860 40.800 0.018 0.000 0.934 31 D HN 0.252 nan 8.370 nan 0.000 0.511 32 T N 1.976 116.566 114.554 0.060 0.000 3.781 32 T HA 0.192 4.542 4.350 -0.000 0.000 0.286 32 T C 0.907 175.701 174.700 0.156 0.000 1.277 32 T CA -0.174 61.993 62.100 0.112 0.000 1.136 32 T CB -0.168 68.780 68.868 0.134 0.000 1.202 32 T HN 0.023 nan 8.240 nan 0.000 0.884 33 L N 3.716 125.028 121.223 0.147 0.000 2.448 33 L HA 0.253 4.593 4.340 -0.000 0.000 0.278 33 L C 0.742 177.819 176.870 0.346 0.000 1.201 33 L CA 0.171 55.160 54.840 0.250 0.000 1.036 33 L CB -0.158 41.986 42.059 0.141 0.000 1.325 33 L HN 0.447 nan 8.230 nan 0.000 0.441 34 E N 2.771 123.126 120.200 0.258 0.000 2.244 34 E HA 0.364 4.714 4.350 -0.000 0.000 0.266 34 E C -0.731 175.834 176.600 -0.057 0.000 0.914 34 E CA -1.025 55.380 56.400 0.008 0.000 0.794 34 E CB 2.585 32.061 29.700 -0.373 0.000 1.210 34 E HN 0.294 nan 8.360 nan 0.000 0.414 35 K N 2.840 123.004 120.400 -0.393 0.000 2.349 35 K HA 0.123 4.443 4.320 -0.000 0.000 0.288 35 K C -0.064 176.453 176.600 -0.139 0.000 1.058 35 K CA 0.007 56.008 56.287 -0.476 0.000 0.953 35 K CB 0.280 32.475 32.500 -0.507 0.000 0.997 35 K HN 0.522 nan 8.250 nan 0.000 0.477 36 H N -0.265 118.734 119.070 -0.117 0.000 2.947 36 H HA 0.462 5.018 4.556 -0.000 0.000 0.290 36 H C -1.154 174.209 175.328 0.057 0.000 1.430 36 H CA -0.774 55.283 56.048 0.015 0.000 1.189 36 H CB 1.829 31.683 29.762 0.154 0.000 1.875 36 H HN 0.443 nan 8.280 nan 0.000 0.568 37 T N 0.369 115.015 114.554 0.152 0.000 2.906 37 T HA 0.571 4.921 4.350 -0.000 0.000 0.295 37 T C -1.050 173.786 174.700 0.227 0.000 1.075 37 T CA -0.758 61.402 62.100 0.100 0.000 1.005 37 T CB 1.111 70.065 68.868 0.144 0.000 1.136 37 T HN 0.428 nan 8.240 nan 0.000 0.498 38 L N 4.065 125.390 121.223 0.170 0.000 2.307 38 L HA 0.743 5.083 4.340 -0.000 0.000 0.284 38 L C 0.166 177.117 176.870 0.136 0.000 1.023 38 L CA -1.005 53.946 54.840 0.184 0.000 0.810 38 L CB 1.336 43.496 42.059 0.168 0.000 1.231 38 L HN 0.460 nan 8.230 nan 0.000 0.423 39 R N 1.430 122.015 120.500 0.143 0.000 2.774 39 R HA 0.599 4.939 4.340 -0.000 0.000 0.272 39 R C -1.406 174.993 176.300 0.166 0.000 1.000 39 R CA -0.905 55.276 56.100 0.135 0.000 0.906 39 R CB 2.367 32.717 30.300 0.082 0.000 1.227 39 R HN 0.463 nan 8.270 nan 0.000 0.468 40 S N 1.353 117.137 115.700 0.139 0.000 2.519 40 S HA 0.412 4.882 4.470 -0.000 0.000 0.309 40 S C -0.859 173.830 174.600 0.149 0.000 1.100 40 S CA -0.770 57.499 58.200 0.116 0.000 1.059 40 S CB 1.889 65.130 63.200 0.068 0.000 1.008 40 S HN 0.229 nan 8.310 nan 0.000 0.478 41 E N 2.644 122.962 120.200 0.197 0.000 2.158 41 E HA 0.380 4.730 4.350 -0.000 0.000 0.271 41 E C 0.047 176.733 176.600 0.143 0.000 0.911 41 E CA -0.433 56.085 56.400 0.196 0.000 0.767 41 E CB 1.874 31.752 29.700 0.297 0.000 1.120 41 E HN 0.705 nan 8.360 nan 0.000 0.405 42 T N -0.665 113.952 114.554 0.105 0.000 2.847 42 T HA 0.568 4.917 4.350 -0.000 0.000 0.279 42 T C 0.267 175.028 174.700 0.102 0.000 0.984 42 T CA -0.630 61.517 62.100 0.080 0.000 0.988 42 T CB 1.092 69.987 68.868 0.046 0.000 1.040 42 T HN 0.113 nan 8.240 nan 0.000 0.528 43 S N 0.819 116.580 115.700 0.102 0.000 2.614 43 S HA 0.693 5.163 4.470 -0.000 0.000 0.288 43 S C -0.713 173.944 174.600 0.095 0.000 1.137 43 S CA -0.861 57.437 58.200 0.164 0.000 0.992 43 S CB 1.501 64.863 63.200 0.270 0.000 1.026 43 S HN 1.137 nan 8.310 nan 0.000 0.486 44 T N 1.271 115.774 114.554 -0.084 0.000 3.011 44 T HA 0.739 5.088 4.350 -0.000 0.000 0.303 44 T C -1.470 172.930 174.700 -0.500 0.000 0.997 44 T CA -0.508 61.502 62.100 -0.149 0.000 1.007 44 T CB 0.581 69.369 68.868 -0.133 0.000 1.017 44 T HN 0.401 nan 8.240 nan 0.000 0.443 45 Y N 1.296 121.595 120.300 -0.002 0.000 2.504 45 Y HA 0.572 5.121 4.550 -0.000 0.000 0.344 45 Y C -0.291 175.581 175.900 -0.047 0.000 1.023 45 Y CA -1.217 56.868 58.100 -0.025 0.000 1.020 45 Y CB 2.447 40.882 38.460 -0.040 0.000 1.282 45 Y HN 0.596 nan 8.280 nan 0.000 0.454 46 N N 3.745 122.485 118.700 0.067 0.000 2.706 46 N HA 0.387 5.127 4.740 -0.000 0.000 0.240 46 N C -1.331 174.186 175.510 0.012 0.000 1.039 46 N CA -0.287 52.772 53.050 0.015 0.000 0.888 46 N CB 1.006 39.489 38.487 -0.008 0.000 1.128 46 N HN 0.551 nan 8.380 nan 0.000 0.512 47 L N 0.715 121.913 121.223 -0.042 0.000 2.395 47 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 47 L C 0.907 177.755 176.870 -0.037 0.000 1.133 47 L CA -0.206 54.588 54.840 -0.077 0.000 0.812 47 L CB 0.728 42.585 42.059 -0.338 0.000 1.125 47 L HN 0.139 nan 8.230 nan 0.000 0.452 48 T N 1.711 116.290 114.554 0.042 0.000 2.795 48 T HA 0.347 4.697 4.350 -0.000 0.000 0.282 48 T C -0.047 174.722 174.700 0.116 0.000 0.980 48 T CA -0.434 61.697 62.100 0.053 0.000 1.012 48 T CB 1.588 70.486 68.868 0.048 0.000 0.936 48 T HN 0.205 nan 8.240 nan 0.000 0.457 49 V N 3.796 123.759 119.914 0.083 0.000 2.530 49 V HA 0.434 4.554 4.120 -0.000 0.000 0.282 49 V C 1.275 177.444 176.094 0.125 0.000 1.048 49 V CA -0.302 62.089 62.300 0.152 0.000 0.997 49 V CB 1.007 32.896 31.823 0.110 0.000 0.987 49 V HN 1.033 nan 8.190 nan 0.000 0.477 50 G N 3.076 111.961 108.800 0.142 0.000 2.570 50 G HA2 0.143 4.103 3.960 -0.000 0.000 0.276 50 G HA3 0.143 4.103 3.960 -0.000 0.000 0.276 50 G C 0.501 175.437 174.900 0.060 0.000 1.346 50 G CA 0.232 45.380 45.100 0.080 0.000 1.034 50 G HN 0.870 nan 8.290 nan 0.000 0.512 51 D N -1.803 118.617 120.400 0.033 0.000 2.348 51 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 51 D C 2.115 178.422 176.300 0.012 0.000 0.970 51 D CA 1.333 55.345 54.000 0.020 0.000 0.889 51 D CB -0.296 40.509 40.800 0.009 0.000 0.912 51 D HN 0.419 nan 8.370 nan 0.000 0.524 52 T N -3.991 110.567 114.554 0.006 0.000 3.081 52 T HA 0.296 4.646 4.350 -0.000 0.000 0.255 52 T C 1.884 176.585 174.700 0.002 0.000 1.113 52 T CA 0.326 62.417 62.100 -0.014 0.000 1.082 52 T CB -0.242 68.598 68.868 -0.047 0.000 0.939 52 T HN 0.346 nan 8.240 nan 0.000 0.506 53 G N 0.495 109.324 108.800 0.049 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 0.113 175.089 174.900 0.127 0.000 0.983 53 G CA 0.235 45.392 45.100 0.095 0.000 0.676 53 G HN 0.796 nan 8.290 nan 0.000 0.528 54 S N -0.895 114.827 115.700 0.036 0.000 2.542 54 S HA 0.918 5.387 4.470 -0.000 0.000 0.293 54 S C 0.389 174.796 174.600 -0.320 0.000 1.089 54 S CA 0.103 58.212 58.200 -0.152 0.000 0.961 54 S CB 2.344 65.448 63.200 -0.159 0.000 1.062 54 S HN 1.633 nan 8.310 nan 0.000 0.483 55 G N 0.273 108.518 108.800 -0.926 0.000 2.548 55 G HA2 0.629 4.589 3.960 -0.000 0.000 0.301 55 G HA3 0.629 4.589 3.960 -0.000 0.000 0.301 55 G C -2.450 172.164 174.900 -0.478 0.000 1.349 55 G CA -0.561 44.157 45.100 -0.637 0.000 0.792 55 G HN 0.691 nan 8.290 nan 0.000 0.481 56 L N -0.128 121.105 121.223 0.017 0.000 2.505 56 L HA 0.747 5.087 4.340 -0.000 0.000 0.266 56 L C -1.305 175.673 176.870 0.179 0.000 0.954 56 L CA -0.582 54.299 54.840 0.068 0.000 0.852 56 L CB 1.757 43.754 42.059 -0.105 0.000 1.282 56 L HN 0.510 nan 8.230 nan 0.000 0.403 57 I N 5.474 126.101 120.570 0.095 0.000 2.354 57 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 57 I C -0.647 175.271 176.117 -0.331 0.000 0.989 57 I CA -0.963 60.257 61.300 -0.133 0.000 1.188 57 I CB 1.868 39.679 38.000 -0.316 0.000 1.342 57 I HN 0.274 nan 8.210 nan 0.000 0.457 58 V N 7.345 127.009 119.914 -0.416 0.000 2.350 58 V HA 0.348 4.468 4.120 -0.000 0.000 0.276 58 V C -0.273 175.353 176.094 -0.780 0.000 1.028 58 V CA -0.310 61.682 62.300 -0.512 0.000 0.860 58 V CB 0.845 32.373 31.823 -0.492 0.000 0.990 58 V HN 0.399 nan 8.190 nan 0.000 0.453 59 F N 4.136 123.816 119.950 -0.449 0.000 2.425 59 F HA 0.565 5.091 4.527 -0.000 0.000 0.331 59 F C 0.090 175.601 175.800 -0.482 0.000 1.085 59 F CA -0.544 57.214 58.000 -0.404 0.000 1.028 59 F CB 1.676 40.583 39.000 -0.155 0.000 1.177 59 F HN 0.367 nan 8.300 nan 0.000 0.487 60 F N 3.895 124.020 119.950 0.293 0.000 2.334 60 F HA 0.256 4.783 4.527 -0.000 0.000 0.343 60 F C -1.501 174.446 175.800 0.245 0.000 1.136 60 F CA -1.768 56.376 58.000 0.240 0.000 1.237 60 F CB 0.168 39.309 39.000 0.234 0.000 1.525 60 F HN 0.299 nan 8.300 nan 0.000 0.528 61 P HA -0.208 nan 4.420 nan 0.000 0.218 61 P C 1.411 178.812 177.300 0.169 0.000 1.152 61 P CA 1.667 64.856 63.100 0.148 0.000 0.857 61 P CB 0.257 31.994 31.700 0.062 0.000 0.787 62 G N -2.013 106.912 108.800 0.209 0.000 3.284 62 G HA2 0.058 4.018 3.960 -0.000 0.000 0.236 62 G HA3 0.058 4.018 3.960 -0.000 0.000 0.236 62 G C -0.103 174.935 174.900 0.231 0.000 1.158 62 G CA -0.475 44.728 45.100 0.172 0.000 0.774 62 G HN 0.144 nan 8.290 nan 0.000 0.545 63 F N 3.080 123.159 119.950 0.215 0.000 2.590 63 F HA 0.220 4.747 4.527 -0.000 0.000 0.389 63 F C -1.440 174.493 175.800 0.222 0.000 1.049 63 F CA -2.227 55.894 58.000 0.202 0.000 1.199 63 F CB 1.020 40.143 39.000 0.204 0.000 1.058 63 F HN -0.022 nan 8.300 nan 0.000 0.556 64 P HA 0.309 nan 4.420 nan 0.000 0.231 64 P C -0.082 177.114 177.300 -0.174 0.000 1.811 64 P CA 0.351 63.333 63.100 -0.197 0.000 1.051 64 P CB 0.151 31.642 31.700 -0.347 0.000 1.951 65 G N 0.136 109.111 108.800 0.293 0.000 2.367 65 G HA2 0.016 3.976 3.960 -0.000 0.000 0.272 65 G HA3 0.016 3.976 3.960 -0.000 0.000 0.272 65 G C 0.332 175.470 174.900 0.396 0.000 1.271 65 G CA -0.335 44.898 45.100 0.222 0.000 0.893 65 G HN -0.076 nan 8.290 nan 0.000 0.485 66 S N -0.417 115.426 115.700 0.238 0.000 2.561 66 S HA 0.203 4.673 4.470 -0.000 0.000 0.225 66 S C 1.068 175.734 174.600 0.110 0.000 0.977 66 S CA 0.246 58.548 58.200 0.169 0.000 0.926 66 S CB -0.310 62.944 63.200 0.089 0.000 0.769 66 S HN 0.338 nan 8.310 nan 0.000 0.533 67 I N 1.655 122.161 120.570 -0.106 0.000 2.322 67 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 67 I C 0.893 176.979 176.117 -0.052 0.000 1.060 67 I CA -0.210 60.907 61.300 -0.306 0.000 1.309 67 I CB 1.232 38.690 38.000 -0.903 0.000 1.415 67 I HN -0.046 nan 8.210 nan 0.000 0.492 68 V N 5.668 125.671 119.914 0.148 0.000 2.685 68 V HA 0.320 4.440 4.120 -0.000 0.000 0.244 68 V C 1.074 177.378 176.094 0.350 0.000 1.054 68 V CA 1.205 63.683 62.300 0.296 0.000 1.076 68 V CB -0.007 31.985 31.823 0.283 0.000 0.725 68 V HN 0.987 nan 8.190 nan 0.000 0.467 69 G N -1.324 107.580 108.800 0.174 0.000 2.335 69 G HA2 0.641 4.600 3.960 -0.000 0.000 0.291 69 G HA3 0.641 4.600 3.960 -0.000 0.000 0.291 69 G C -1.813 173.015 174.900 -0.120 0.000 1.261 69 G CA 0.124 45.155 45.100 -0.114 0.000 0.871 69 G HN 0.658 nan 8.290 nan 0.000 0.491 70 A N -0.664 121.992 122.820 -0.273 0.000 2.549 70 A HA 0.801 5.121 4.320 -0.000 0.000 0.297 70 A C -1.252 176.157 177.584 -0.292 0.000 1.061 70 A CA -0.413 51.519 52.037 -0.175 0.000 0.690 70 A CB 1.497 20.535 19.000 0.063 0.000 1.287 70 A HN 1.205 nan 8.150 nan 0.000 0.402 71 H N 1.023 119.781 119.070 -0.520 0.000 2.459 71 H HA 0.656 5.212 4.556 -0.000 0.000 0.332 71 H C -1.745 173.246 175.328 -0.562 0.000 1.094 71 H CA -0.318 55.475 56.048 -0.426 0.000 1.224 71 H CB 0.894 30.454 29.762 -0.337 0.000 1.449 71 H HN 0.619 nan 8.280 nan 0.000 0.484 72 Y N 1.847 121.945 120.300 -0.336 0.000 2.462 72 Y HA 0.188 4.738 4.550 -0.000 0.000 0.346 72 Y C 0.323 176.052 175.900 -0.284 0.000 0.976 72 Y CA -0.783 57.170 58.100 -0.245 0.000 1.044 72 Y CB 2.266 40.727 38.460 0.001 0.000 1.230 72 Y HN 0.600 nan 8.280 nan 0.000 0.455 73 T N 0.393 114.930 114.554 -0.028 0.000 2.902 73 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 73 T C -0.976 173.815 174.700 0.152 0.000 1.009 73 T CA -0.804 61.311 62.100 0.025 0.000 1.051 73 T CB 1.418 70.277 68.868 -0.015 0.000 0.999 73 T HN 0.447 nan 8.240 nan 0.000 0.474 74 L N 2.795 124.036 121.223 0.031 0.000 2.276 74 L HA 0.379 4.719 4.340 -0.000 0.000 0.286 74 L C 0.130 176.924 176.870 -0.126 0.000 1.061 74 L CA -0.056 54.676 54.840 -0.180 0.000 0.807 74 L CB 0.804 42.681 42.059 -0.304 0.000 1.177 74 L HN 0.690 nan 8.230 nan 0.000 0.429 75 Q N 2.812 122.527 119.800 -0.141 0.000 2.212 75 Q HA 0.268 4.608 4.340 -0.000 0.000 0.238 75 Q C 1.076 177.014 176.000 -0.103 0.000 0.955 75 Q CA -0.248 55.502 55.803 -0.088 0.000 0.906 75 Q CB 1.159 29.860 28.738 -0.062 0.000 1.215 75 Q HN 0.794 nan 8.270 nan 0.000 0.478 76 S N 1.267 116.926 115.700 -0.069 0.000 2.419 76 S HA -0.173 4.296 4.470 -0.000 0.000 0.235 76 S C 1.300 175.857 174.600 -0.072 0.000 1.019 76 S CA 1.615 59.776 58.200 -0.064 0.000 0.982 76 S CB -0.315 62.859 63.200 -0.043 0.000 0.789 76 S HN 0.688 nan 8.310 nan 0.000 0.490 77 N N 0.796 119.452 118.700 -0.074 0.000 2.521 77 N HA 0.084 4.823 4.740 -0.000 0.000 0.188 77 N C 1.199 176.647 175.510 -0.103 0.000 1.146 77 N CA 0.736 53.740 53.050 -0.076 0.000 0.893 77 N CB 0.040 38.489 38.487 -0.063 0.000 0.975 77 N HN 0.492 nan 8.380 nan 0.000 0.451 78 G N 0.383 109.099 108.800 -0.140 0.000 2.175 78 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 78 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 78 G C -0.293 174.453 174.900 -0.257 0.000 0.982 78 G CA -0.248 44.737 45.100 -0.191 0.000 0.641 78 G HN 0.429 nan 8.290 nan 0.000 0.527 79 N N -0.276 118.295 118.700 -0.214 0.000 2.489 79 N HA 0.600 5.340 4.740 -0.000 0.000 0.284 79 N C -0.386 174.991 175.510 -0.222 0.000 1.158 79 N CA -0.315 52.613 53.050 -0.204 0.000 0.965 79 N CB 0.751 39.173 38.487 -0.108 0.000 1.195 79 N HN 0.218 nan 8.380 nan 0.000 0.506 80 Y N 0.185 120.411 120.300 -0.123 0.000 2.354 80 Y HA 0.271 4.821 4.550 -0.000 0.000 0.322 80 Y C 0.838 176.773 175.900 0.059 0.000 1.253 80 Y CA -0.221 57.857 58.100 -0.036 0.000 1.272 80 Y CB 1.269 39.673 38.460 -0.094 0.000 1.255 80 Y HN 0.263 nan 8.280 nan 0.000 0.500 81 K N 3.073 123.694 120.400 0.368 0.000 2.541 81 K HA 0.268 4.588 4.320 -0.000 0.000 0.250 81 K C -1.611 175.207 176.600 0.363 0.000 0.950 81 K CA -0.719 55.746 56.287 0.296 0.000 0.805 81 K CB 0.873 33.456 32.500 0.139 0.000 1.166 81 K HN 0.542 nan 8.250 nan 0.000 0.430 82 F N 4.195 124.300 119.950 0.259 0.000 2.578 82 F HA 0.017 4.544 4.527 -0.000 0.000 0.376 82 F C 0.839 176.567 175.800 -0.121 0.000 1.085 82 F CA 0.553 58.534 58.000 -0.032 0.000 1.260 82 F CB 0.859 39.875 39.000 0.027 0.000 1.095 82 F HN 0.851 nan 8.300 nan 0.000 0.573 83 D N 2.687 122.417 120.400 -1.117 0.000 2.805 83 D HA 0.096 4.736 4.640 -0.000 0.000 0.271 83 D C -0.516 175.067 176.300 -1.195 0.000 1.166 83 D CA 1.025 54.533 54.000 -0.820 0.000 1.004 83 D CB 0.203 40.697 40.800 -0.509 0.000 1.136 83 D HN 0.692 nan 8.370 nan 0.000 0.444 84 Q N -1.168 117.794 119.800 -1.397 0.000 2.702 84 Q HA 0.289 4.629 4.340 -0.000 0.000 0.289 84 Q C -1.108 174.640 176.000 -0.420 0.000 0.923 84 Q CA -0.990 54.317 55.803 -0.828 0.000 0.787 84 Q CB 0.991 29.546 28.738 -0.305 0.000 1.476 84 Q HN -0.022 nan 8.270 nan 0.000 0.402 85 M N 1.407 121.008 119.600 0.002 0.000 2.247 85 M HA 0.444 4.924 4.480 -0.000 0.000 0.326 85 M C -0.561 175.606 176.300 -0.222 0.000 1.134 85 M CA -0.193 55.116 55.300 0.015 0.000 1.136 85 M CB 0.336 32.995 32.600 0.099 0.000 1.454 85 M HN 0.627 nan 8.290 nan 0.000 0.467 86 L N 3.746 124.804 121.223 -0.274 0.000 2.325 86 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 86 L C -0.506 176.303 176.870 -0.101 0.000 1.004 86 L CA -0.352 54.156 54.840 -0.553 0.000 0.823 86 L CB 1.131 42.859 42.059 -0.551 0.000 1.236 86 L HN 0.592 nan 8.230 nan 0.000 0.415 87 L N 1.065 122.362 121.223 0.124 0.000 2.293 87 L HA 0.671 5.011 4.340 -0.000 0.000 0.264 87 L C 0.570 177.617 176.870 0.294 0.000 1.029 87 L CA -0.830 54.132 54.840 0.203 0.000 0.897 87 L CB 1.778 43.941 42.059 0.174 0.000 1.497 87 L HN 0.529 nan 8.230 nan 0.000 0.495 88 T N -2.693 111.995 114.554 0.223 0.000 2.881 88 T HA 0.441 4.791 4.350 -0.000 0.000 0.278 88 T C 0.984 175.779 174.700 0.157 0.000 0.982 88 T CA -0.102 62.124 62.100 0.210 0.000 0.989 88 T CB 1.495 70.492 68.868 0.214 0.000 1.058 88 T HN 0.619 nan 8.240 nan 0.000 0.529 89 A N 0.828 123.720 122.820 0.119 0.000 1.917 89 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 89 A C 1.257 178.885 177.584 0.073 0.000 1.182 89 A CA 1.511 53.589 52.037 0.069 0.000 0.633 89 A CB -0.857 18.175 19.000 0.053 0.000 0.819 89 A HN 0.971 nan 8.150 nan 0.000 0.448 90 Q N -1.613 118.241 119.800 0.090 0.000 2.399 90 Q HA 0.512 4.852 4.340 -0.000 0.000 0.276 90 Q C -1.057 174.993 176.000 0.084 0.000 1.098 90 Q CA -1.004 54.847 55.803 0.081 0.000 0.827 90 Q CB 0.770 29.559 28.738 0.085 0.000 1.386 90 Q HN 0.145 nan 8.270 nan 0.000 0.443 91 N N 1.469 120.212 118.700 0.071 0.000 2.448 91 N HA 0.133 4.872 4.740 -0.000 0.000 0.250 91 N C 0.340 175.893 175.510 0.071 0.000 1.136 91 N CA -0.069 53.019 53.050 0.063 0.000 0.953 91 N CB 0.287 38.804 38.487 0.049 0.000 1.251 91 N HN 0.797 nan 8.380 nan 0.000 0.502 92 L N 4.245 125.505 121.223 0.062 0.000 2.081 92 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 92 L C -0.680 176.270 176.870 0.133 0.000 1.080 92 L CA 1.250 56.150 54.840 0.099 0.000 0.754 92 L CB -1.072 40.931 42.059 -0.094 0.000 0.893 92 L HN 0.504 nan 8.230 nan 0.000 0.433 93 P HA -0.141 nan 4.420 nan 0.000 0.225 93 P C 1.138 178.445 177.300 0.012 0.000 1.148 93 P CA 1.361 64.477 63.100 0.027 0.000 0.779 93 P CB 0.018 31.723 31.700 0.007 0.000 0.780 94 A N -1.383 121.449 122.820 0.018 0.000 2.119 94 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 94 A C 2.007 179.554 177.584 -0.061 0.000 1.152 94 A CA 1.446 53.476 52.037 -0.013 0.000 0.708 94 A CB -0.546 18.454 19.000 -0.001 0.000 0.805 94 A HN 0.117 nan 8.150 nan 0.000 0.460 95 S N -2.459 113.191 115.700 -0.084 0.000 2.589 95 S HA 0.351 4.821 4.470 -0.000 0.000 0.235 95 S C -0.436 173.811 174.600 -0.589 0.000 1.051 95 S CA -0.220 57.771 58.200 -0.349 0.000 0.978 95 S CB 0.117 63.029 63.200 -0.480 0.000 0.929 95 S HN 0.504 nan 8.310 nan 0.000 0.523 96 Y N 0.833 121.117 120.300 -0.027 0.000 2.570 96 Y HA 0.518 5.068 4.550 -0.000 0.000 0.345 96 Y C 0.654 176.518 175.900 -0.058 0.000 1.014 96 Y CA -1.135 56.953 58.100 -0.020 0.000 1.063 96 Y CB 0.983 39.436 38.460 -0.012 0.000 1.272 96 Y HN -0.165 nan 8.280 nan 0.000 0.477 97 N N -0.200 118.565 118.700 0.107 0.000 2.348 97 N HA 0.108 4.847 4.740 -0.000 0.000 0.183 97 N C -1.285 174.005 175.510 -0.366 0.000 1.094 97 N CA 0.382 53.353 53.050 -0.131 0.000 0.885 97 N CB 0.516 38.922 38.487 -0.136 0.000 1.065 97 N HN 0.545 nan 8.380 nan 0.000 0.472 98 Y N -1.147 119.226 120.300 0.121 0.000 2.524 98 Y HA 0.519 5.069 4.550 -0.000 0.000 0.347 98 Y C -0.424 175.577 175.900 0.169 0.000 1.005 98 Y CA -1.128 57.056 58.100 0.139 0.000 1.025 98 Y CB 2.178 40.741 38.460 0.173 0.000 1.275 98 Y HN -0.158 nan 8.280 nan 0.000 0.460 99 C N 2.893 122.361 119.300 0.280 0.000 3.170 99 C HA 0.793 5.253 4.460 -0.000 0.000 0.319 99 C C -1.764 173.172 174.990 -0.090 0.000 1.260 99 C CA -0.576 58.487 59.018 0.075 0.000 1.374 99 C CB 1.779 29.464 27.740 -0.092 0.000 1.739 99 C HN 0.980 nan 8.230 nan 0.000 0.479 100 R N 2.482 122.906 120.500 -0.127 0.000 2.651 100 R HA 0.581 4.921 4.340 -0.000 0.000 0.278 100 R C -1.702 174.652 176.300 0.090 0.000 1.010 100 R CA -0.779 55.222 56.100 -0.165 0.000 0.896 100 R CB 2.015 32.002 30.300 -0.521 0.000 1.211 100 R HN 0.694 nan 8.270 nan 0.000 0.456 101 L N 3.004 124.299 121.223 0.120 0.000 2.305 101 L HA 0.228 4.568 4.340 -0.000 0.000 0.281 101 L C 0.275 177.167 176.870 0.036 0.000 1.085 101 L CA 0.358 55.240 54.840 0.069 0.000 0.813 101 L CB 1.611 43.717 42.059 0.078 0.000 1.157 101 L HN 0.538 nan 8.230 nan 0.000 0.436 102 V N 2.605 122.499 119.914 -0.034 0.000 2.581 102 V HA 0.301 4.421 4.120 -0.000 0.000 0.240 102 V C 0.570 176.726 176.094 0.103 0.000 1.054 102 V CA 1.131 63.492 62.300 0.103 0.000 1.076 102 V CB 0.223 32.104 31.823 0.097 0.000 0.748 102 V HN 0.957 nan 8.190 nan 0.000 0.474 103 S N -0.300 115.363 115.700 -0.062 0.000 2.595 103 S HA 0.735 5.205 4.470 -0.000 0.000 0.270 103 S C -0.925 173.587 174.600 -0.147 0.000 1.145 103 S CA -0.883 57.269 58.200 -0.080 0.000 0.825 103 S CB 2.735 65.870 63.200 -0.108 0.000 1.107 103 S HN 0.481 nan 8.310 nan 0.000 0.461 104 R N 0.166 120.594 120.500 -0.120 0.000 2.604 104 R HA 0.673 5.013 4.340 -0.000 0.000 0.261 104 R C -1.934 174.280 176.300 -0.143 0.000 1.080 104 R CA 0.057 56.078 56.100 -0.131 0.000 0.917 104 R CB 1.598 31.829 30.300 -0.116 0.000 1.252 104 R HN 1.464 nan 8.270 nan 0.000 0.456 105 S N 4.069 119.673 115.700 -0.159 0.000 2.533 105 S HA 0.698 5.167 4.470 -0.000 0.000 0.271 105 S C -1.669 172.800 174.600 -0.219 0.000 1.143 105 S CA -0.760 57.307 58.200 -0.221 0.000 0.891 105 S CB 1.564 64.623 63.200 -0.234 0.000 1.105 105 S HN 0.460 nan 8.310 nan 0.000 0.468 106 L N 2.614 123.658 121.223 -0.298 0.000 2.422 106 L HA 0.734 5.074 4.340 -0.000 0.000 0.264 106 L C -0.141 176.597 176.870 -0.221 0.000 0.984 106 L CA -0.508 54.172 54.840 -0.266 0.000 0.819 106 L CB 2.816 44.590 42.059 -0.475 0.000 1.330 106 L HN 0.963 nan 8.230 nan 0.000 0.410 107 T N -0.565 113.925 114.554 -0.106 0.000 2.888 107 T HA 0.824 5.174 4.350 -0.000 0.000 0.284 107 T C -0.617 174.088 174.700 0.010 0.000 1.017 107 T CA -0.827 61.237 62.100 -0.059 0.000 1.022 107 T CB 1.897 70.745 68.868 -0.034 0.000 1.013 107 T HN 0.200 nan 8.240 nan 0.000 0.465 108 V N 3.622 123.556 119.914 0.034 0.000 2.483 108 V HA 0.799 4.919 4.120 -0.000 0.000 0.297 108 V C -0.102 176.009 176.094 0.030 0.000 1.027 108 V CA -0.909 61.425 62.300 0.057 0.000 0.855 108 V CB 1.172 33.067 31.823 0.120 0.000 0.995 108 V HN 1.168 nan 8.190 nan 0.000 0.424 109 R N 2.208 122.708 120.500 0.001 0.000 2.692 109 R HA 0.634 4.974 4.340 -0.000 0.000 0.269 109 R C -0.798 175.481 176.300 -0.035 0.000 1.030 109 R CA -0.595 55.502 56.100 -0.005 0.000 0.882 109 R CB 1.760 32.066 30.300 0.011 0.000 1.250 109 R HN 0.626 nan 8.270 nan 0.000 0.465 110 S N 0.300 115.978 115.700 -0.037 0.000 2.565 110 S HA 0.181 4.650 4.470 -0.000 0.000 0.276 110 S C 0.631 175.214 174.600 -0.027 0.000 1.326 110 S CA -0.007 58.163 58.200 -0.050 0.000 1.045 110 S CB 1.421 64.593 63.200 -0.047 0.000 0.918 110 S HN 0.843 nan 8.310 nan 0.000 0.505 111 S N 1.009 116.692 115.700 -0.029 0.000 2.666 111 S HA 0.330 4.800 4.470 -0.000 0.000 0.239 111 S C 0.258 174.853 174.600 -0.010 0.000 1.031 111 S CA -0.291 57.900 58.200 -0.015 0.000 1.015 111 S CB 0.070 63.261 63.200 -0.015 0.000 0.981 111 S HN 0.749 nan 8.310 nan 0.000 0.547 112 T N 1.501 116.048 114.554 -0.012 0.000 2.841 112 T HA 0.658 5.008 4.350 -0.000 0.000 0.296 112 T C -1.704 172.997 174.700 0.000 0.000 1.166 112 T CA -0.666 61.432 62.100 -0.004 0.000 1.007 112 T CB 1.833 70.698 68.868 -0.005 0.000 1.253 112 T HN 0.203 nan 8.240 nan 0.000 0.511 113 L N 2.712 123.940 121.223 0.010 0.000 2.541 113 L HA 0.395 4.735 4.340 -0.000 0.000 0.266 113 L C -2.268 174.615 176.870 0.022 0.000 0.966 113 L CA -1.807 53.044 54.840 0.018 0.000 0.871 113 L CB 2.421 44.497 42.059 0.028 0.000 1.232 113 L HN 0.467 nan 8.230 nan 0.000 0.408 114 P HA 0.058 nan 4.420 nan 0.000 0.268 114 P C 0.195 177.510 177.300 0.025 0.000 1.208 114 P CA -0.164 62.947 63.100 0.019 0.000 0.777 114 P CB 0.693 32.404 31.700 0.018 0.000 0.875 115 G N 0.225 109.038 108.800 0.021 0.000 2.225 115 G HA2 0.318 4.278 3.960 -0.000 0.000 0.245 115 G HA3 0.318 4.278 3.960 -0.000 0.000 0.245 115 G C 0.974 175.889 174.900 0.024 0.000 1.249 115 G CA 0.370 45.483 45.100 0.022 0.000 0.919 115 G HN 0.898 nan 8.290 nan 0.000 0.486 116 G N 0.765 109.584 108.800 0.032 0.000 2.612 116 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.200 116 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.200 116 G C 0.501 175.436 174.900 0.060 0.000 1.053 116 G CA 0.208 45.330 45.100 0.035 0.000 0.707 116 G HN 1.723 nan 8.290 nan 0.000 0.497 117 V N 2.557 122.509 119.914 0.064 0.000 2.470 117 V HA 0.576 4.696 4.120 -0.000 0.000 0.276 117 V C 1.298 177.480 176.094 0.146 0.000 1.040 117 V CA 0.281 62.630 62.300 0.082 0.000 1.008 117 V CB 0.907 32.760 31.823 0.050 0.000 0.990 117 V HN 0.522 nan 8.190 nan 0.000 0.477 118 Y N 6.709 127.011 120.300 0.004 0.000 2.347 118 Y HA 0.474 5.024 4.550 -0.000 0.000 0.294 118 Y C 1.117 177.020 175.900 0.005 0.000 1.117 118 Y CA 0.413 58.515 58.100 0.004 0.000 1.184 118 Y CB -0.239 38.223 38.460 0.004 0.000 1.047 118 Y HN 0.688 nan 8.280 nan 0.000 0.546 119 A N 1.760 124.518 122.820 -0.104 0.000 2.301 119 A HA 0.484 4.803 4.320 -0.000 0.000 0.298 119 A C -0.781 176.746 177.584 -0.095 0.000 1.185 119 A CA -0.573 51.336 52.037 -0.213 0.000 0.830 119 A CB -0.031 18.864 19.000 -0.174 0.000 1.112 119 A HN 0.356 nan 8.150 nan 0.000 0.508 120 L N 2.573 123.734 121.223 -0.103 0.000 2.436 120 L HA 0.516 4.856 4.340 -0.000 0.000 0.265 120 L C 0.023 176.867 176.870 -0.044 0.000 1.168 120 L CA 0.450 55.259 54.840 -0.052 0.000 0.815 120 L CB 0.438 42.470 42.059 -0.045 0.000 1.109 120 L HN 0.867 nan 8.230 nan 0.000 0.462 121 N N 1.068 119.755 118.700 -0.021 0.000 2.823 121 N HA 0.781 5.521 4.740 -0.000 0.000 0.251 121 N C -1.411 174.101 175.510 0.002 0.000 1.392 121 N CA -0.216 52.826 53.050 -0.014 0.000 0.864 121 N CB 1.879 40.357 38.487 -0.015 0.000 1.481 121 N HN 1.034 nan 8.380 nan 0.000 0.508 122 G N 0.194 108.998 108.800 0.006 0.000 2.592 122 G HA2 0.239 4.199 3.960 -0.000 0.000 0.685 122 G HA3 0.239 4.199 3.960 -0.000 0.000 0.685 122 G C -1.018 173.911 174.900 0.047 0.000 1.278 122 G CA -0.432 44.683 45.100 0.025 0.000 0.822 122 G HN 0.690 nan 8.290 nan 0.000 0.652 123 T N -1.387 113.206 114.554 0.065 0.000 2.896 123 T HA 0.829 5.179 4.350 -0.000 0.000 0.297 123 T C -0.316 174.548 174.700 0.273 0.000 1.108 123 T CA -0.890 61.295 62.100 0.141 0.000 1.004 123 T CB 2.245 71.204 68.868 0.153 0.000 1.159 123 T HN 0.994 nan 8.240 nan 0.000 0.499 124 I N 1.745 122.503 120.570 0.313 0.000 2.569 124 I HA 0.502 4.672 4.170 -0.000 0.000 0.296 124 I C -0.816 175.443 176.117 0.238 0.000 1.028 124 I CA -1.011 60.504 61.300 0.359 0.000 1.082 124 I CB 2.189 40.326 38.000 0.229 0.000 1.264 124 I HN 0.559 nan 8.210 nan 0.000 0.429 125 N N 3.879 122.618 118.700 0.066 0.000 2.284 125 N HA 0.828 5.568 4.740 -0.000 0.000 0.300 125 N C -1.292 174.160 175.510 -0.097 0.000 1.047 125 N CA -0.493 52.416 53.050 -0.234 0.000 0.821 125 N CB 2.374 40.369 38.487 -0.820 0.000 1.337 125 N HN 0.722 nan 8.380 nan 0.000 0.482 126 A N 0.761 123.542 122.820 -0.064 0.000 2.549 126 A HA 0.795 5.115 4.320 -0.000 0.000 0.297 126 A C -1.397 176.166 177.584 -0.035 0.000 1.061 126 A CA -0.662 51.365 52.037 -0.016 0.000 0.690 126 A CB 1.503 20.523 19.000 0.035 0.000 1.287 126 A HN 0.429 nan 8.150 nan 0.000 0.402 127 V N 0.716 120.620 119.914 -0.016 0.000 3.048 127 V HA 0.746 4.866 4.120 -0.000 0.000 0.303 127 V C -1.012 175.100 176.094 0.029 0.000 1.214 127 V CA -0.200 62.093 62.300 -0.011 0.000 0.984 127 V CB 2.586 34.398 31.823 -0.019 0.000 1.054 127 V HN 1.042 nan 8.190 nan 0.000 0.430 128 T N 6.265 120.840 114.554 0.034 0.000 2.756 128 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 128 T C -0.939 173.836 174.700 0.125 0.000 0.985 128 T CA 0.053 62.191 62.100 0.062 0.000 0.955 128 T CB 0.564 69.436 68.868 0.008 0.000 0.930 128 T HN 0.532 nan 8.240 nan 0.000 0.451 129 F N 3.094 123.032 119.950 -0.020 0.000 2.405 129 F HA 0.304 4.831 4.527 -0.000 0.000 0.355 129 F C 1.210 177.009 175.800 -0.002 0.000 1.121 129 F CA -0.976 57.016 58.000 -0.014 0.000 1.112 129 F CB 1.187 40.181 39.000 -0.011 0.000 1.126 129 F HN 0.511 nan 8.300 nan 0.000 0.481 130 Q N 4.131 123.608 119.800 -0.538 0.000 2.452 130 Q HA 0.146 4.486 4.340 -0.000 0.000 0.214 130 Q C 0.672 176.205 176.000 -0.779 0.000 0.966 130 Q CA 0.337 55.826 55.803 -0.523 0.000 0.964 130 Q CB 0.013 28.553 28.738 -0.330 0.000 0.992 130 Q HN 0.901 nan 8.270 nan 0.000 0.517 131 G N -0.136 107.760 108.800 -1.508 0.000 3.209 131 G HA2 0.458 4.418 3.960 -0.000 0.000 0.236 131 G HA3 0.458 4.418 3.960 -0.000 0.000 0.236 131 G C -0.679 174.181 174.900 -0.067 0.000 1.329 131 G CA -0.513 44.106 45.100 -0.802 0.000 1.015 131 G HN 0.211 nan 8.290 nan 0.000 0.571 132 S N -1.012 114.831 115.700 0.238 0.000 2.718 132 S HA 0.406 4.876 4.470 -0.000 0.000 0.300 132 S C 1.211 176.039 174.600 0.381 0.000 1.117 132 S CA -0.565 57.817 58.200 0.303 0.000 1.002 132 S CB 1.672 65.008 63.200 0.226 0.000 1.092 132 S HN 0.619 nan 8.310 nan 0.000 0.542 133 L N 1.959 123.348 121.223 0.277 0.000 2.010 133 L HA -0.187 4.153 4.340 -0.000 0.000 0.219 133 L C 2.565 179.500 176.870 0.109 0.000 1.077 133 L CA 2.826 57.743 54.840 0.128 0.000 0.773 133 L CB -1.344 40.747 42.059 0.053 0.000 0.892 133 L HN 1.018 nan 8.230 nan 0.000 0.436 134 S N -1.660 114.134 115.700 0.157 0.000 2.507 134 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 134 S C 1.562 176.242 174.600 0.133 0.000 0.988 134 S CA 1.038 59.324 58.200 0.143 0.000 0.944 134 S CB -0.686 62.585 63.200 0.119 0.000 0.762 134 S HN 0.710 nan 8.310 nan 0.000 0.526 135 E N 0.451 120.774 120.200 0.205 0.000 2.435 135 E HA 0.191 4.540 4.350 -0.000 0.000 0.195 135 E C -0.124 176.534 176.600 0.097 0.000 1.029 135 E CA -0.158 56.391 56.400 0.249 0.000 0.865 135 E CB -0.109 29.845 29.700 0.423 0.000 0.833 135 E HN 0.544 nan 8.360 nan 0.000 0.510 136 L N 1.619 122.723 121.223 -0.199 0.000 2.453 136 L HA -0.022 4.318 4.340 -0.000 0.000 0.272 136 L C 1.784 178.539 176.870 -0.191 0.000 1.182 136 L CA 0.252 54.785 54.840 -0.513 0.000 0.858 136 L CB 0.690 42.421 42.059 -0.546 0.000 1.120 136 L HN 0.103 nan 8.230 nan 0.000 0.474 137 T N -2.958 111.493 114.554 -0.173 0.000 3.051 137 T HA 0.058 4.407 4.350 -0.000 0.000 0.255 137 T C 0.266 174.928 174.700 -0.063 0.000 1.085 137 T CA 0.057 62.115 62.100 -0.071 0.000 1.109 137 T CB 0.144 68.990 68.868 -0.037 0.000 0.921 137 T HN 0.529 nan 8.240 nan 0.000 0.488 138 D N 0.887 121.232 120.400 -0.091 0.000 2.890 138 D HA 0.298 4.938 4.640 -0.000 0.000 0.233 138 D C 0.132 176.403 176.300 -0.047 0.000 1.306 138 D CA -0.711 53.259 54.000 -0.051 0.000 0.929 138 D CB 2.245 43.019 40.800 -0.045 0.000 1.512 138 D HN 0.074 nan 8.370 nan 0.000 0.568 139 V N 1.435 121.363 119.914 0.023 0.000 3.176 139 V HA 0.332 4.452 4.120 -0.000 0.000 0.332 139 V C 0.676 176.858 176.094 0.146 0.000 1.414 139 V CA -0.084 62.258 62.300 0.071 0.000 1.133 139 V CB -0.543 31.389 31.823 0.182 0.000 1.088 139 V HN 0.455 nan 8.190 nan 0.000 0.473 140 S N -0.780 114.977 115.700 0.094 0.000 2.593 140 S HA 0.297 4.767 4.470 -0.000 0.000 0.269 140 S C 0.821 175.488 174.600 0.111 0.000 1.334 140 S CA 0.143 58.409 58.200 0.110 0.000 1.015 140 S CB 0.789 64.023 63.200 0.057 0.000 0.912 140 S HN 0.457 nan 8.310 nan 0.000 0.541 141 Y N 2.501 122.817 120.300 0.027 0.000 2.102 141 Y HA -0.261 4.289 4.550 -0.000 0.000 0.280 141 Y C 2.082 177.988 175.900 0.010 0.000 1.178 141 Y CA 2.530 60.640 58.100 0.016 0.000 1.146 141 Y CB -0.429 38.032 38.460 0.002 0.000 0.968 141 Y HN 0.712 nan 8.280 nan 0.000 0.504 142 N N -0.351 118.398 118.700 0.082 0.000 2.376 142 N HA -0.034 4.706 4.740 -0.000 0.000 0.177 142 N C 1.975 177.453 175.510 -0.054 0.000 1.024 142 N CA 1.013 54.050 53.050 -0.021 0.000 0.893 142 N CB -0.592 37.945 38.487 0.084 0.000 0.980 142 N HN 0.533 nan 8.380 nan 0.000 0.439 143 G N 1.566 110.351 108.800 -0.025 0.000 2.432 143 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 143 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 143 G C 1.656 176.517 174.900 -0.065 0.000 1.135 143 G CA 0.217 45.296 45.100 -0.036 0.000 0.767 143 G HN 0.210 nan 8.290 nan 0.000 0.550 144 L N 0.184 121.353 121.223 -0.091 0.000 2.127 144 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 144 L C 2.828 179.640 176.870 -0.097 0.000 1.089 144 L CA 0.587 55.362 54.840 -0.108 0.000 0.757 144 L CB -0.410 41.572 42.059 -0.129 0.000 0.899 144 L HN 0.151 nan 8.230 nan 0.000 0.434 145 M N -0.764 118.771 119.600 -0.109 0.000 2.426 145 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 145 M C 1.851 178.121 176.300 -0.050 0.000 1.068 145 M CA 1.322 56.570 55.300 -0.086 0.000 1.066 145 M CB -1.086 31.461 32.600 -0.088 0.000 1.399 145 M HN 0.174 nan 8.290 nan 0.000 0.449 146 S N -0.504 115.171 115.700 -0.041 0.000 2.539 146 S HA 0.323 4.792 4.470 -0.000 0.000 0.221 146 S C 1.848 176.449 174.600 0.002 0.000 0.987 146 S CA 0.336 58.524 58.200 -0.019 0.000 0.929 146 S CB 0.130 63.320 63.200 -0.017 0.000 0.832 146 S HN 0.492 nan 8.310 nan 0.000 0.492 147 A N 1.620 124.437 122.820 -0.005 0.000 2.024 147 A HA 0.010 4.329 4.320 -0.000 0.000 0.220 147 A C 1.374 179.059 177.584 0.168 0.000 1.164 147 A CA 1.605 53.669 52.037 0.046 0.000 0.643 147 A CB -0.230 18.759 19.000 -0.020 0.000 0.806 147 A HN 0.426 nan 8.150 nan 0.000 0.451 148 T N -3.964 110.645 114.554 0.092 0.000 2.896 148 T HA 0.566 4.916 4.350 -0.000 0.000 0.297 148 T C 0.321 175.033 174.700 0.020 0.000 1.108 148 T CA 0.080 62.222 62.100 0.070 0.000 1.004 148 T CB 1.741 70.641 68.868 0.053 0.000 1.159 148 T HN 0.468 nan 8.240 nan 0.000 0.499 149 A N 2.697 125.520 122.820 0.006 0.000 2.267 149 A HA 0.319 4.639 4.320 -0.000 0.000 0.213 149 A C 0.599 178.168 177.584 -0.025 0.000 1.192 149 A CA -0.129 51.903 52.037 -0.009 0.000 0.851 149 A CB -0.225 18.770 19.000 -0.008 0.000 0.881 149 A HN 0.720 nan 8.150 nan 0.000 0.494 150 N N 0.742 119.422 118.700 -0.032 0.000 2.420 150 N HA 0.129 4.869 4.740 -0.000 0.000 0.262 150 N C 0.623 176.094 175.510 -0.065 0.000 1.144 150 N CA -0.242 52.778 53.050 -0.051 0.000 0.952 150 N CB 1.133 39.584 38.487 -0.060 0.000 1.081 150 N HN 0.212 nan 8.380 nan 0.000 0.480 151 I N 2.301 122.830 120.570 -0.069 0.000 2.335 151 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 151 I C 1.154 177.197 176.117 -0.123 0.000 1.129 151 I CA 1.332 62.583 61.300 -0.082 0.000 1.402 151 I CB -0.062 37.894 38.000 -0.073 0.000 1.069 151 I HN 0.421 nan 8.210 nan 0.000 0.424 152 N N 0.542 119.154 118.700 -0.147 0.000 2.370 152 N HA -0.014 4.725 4.740 -0.000 0.000 0.198 152 N C 0.132 175.512 175.510 -0.218 0.000 1.156 152 N CA 0.461 53.378 53.050 -0.222 0.000 0.839 152 N CB -0.010 38.334 38.487 -0.238 0.000 0.989 152 N HN 0.442 nan 8.380 nan 0.000 0.468 153 D N 0.342 120.654 120.400 -0.146 0.000 2.535 153 D HA 0.086 4.726 4.640 -0.000 0.000 0.229 153 D C 0.122 176.371 176.300 -0.085 0.000 1.238 153 D CA 0.173 54.105 54.000 -0.113 0.000 0.824 153 D CB 0.856 41.612 40.800 -0.073 0.000 1.045 153 D HN 0.396 nan 8.370 nan 0.000 0.500 154 K N -0.259 120.080 120.400 -0.101 0.000 2.536 154 K HA 0.682 5.002 4.320 -0.000 0.000 0.269 154 K C -1.496 175.051 176.600 -0.089 0.000 0.965 154 K CA -0.911 55.329 56.287 -0.079 0.000 0.860 154 K CB 2.626 35.087 32.500 -0.064 0.000 1.423 154 K HN -0.166 nan 8.250 nan 0.000 0.438 155 I N 0.380 120.909 120.570 -0.069 0.000 2.680 155 I HA 0.512 4.682 4.170 -0.000 0.000 0.291 155 I C -1.356 174.737 176.117 -0.040 0.000 1.244 155 I CA 0.011 61.280 61.300 -0.051 0.000 1.042 155 I CB 2.394 40.373 38.000 -0.034 0.000 1.277 155 I HN 0.882 nan 8.210 nan 0.000 0.423 156 G N 4.147 112.933 108.800 -0.024 0.000 2.495 156 G HA2 0.439 4.399 3.960 -0.000 0.000 0.318 156 G HA3 0.439 4.399 3.960 -0.000 0.000 0.318 156 G C -0.481 174.441 174.900 0.038 0.000 1.257 156 G CA -0.544 44.544 45.100 -0.020 0.000 0.962 156 G HN 0.668 nan 8.290 nan 0.000 0.483 157 N N -0.599 118.154 118.700 0.089 0.000 2.725 157 N HA -0.164 4.575 4.740 -0.000 0.000 0.251 157 N C 0.320 175.900 175.510 0.117 0.000 1.031 157 N CA 0.653 53.794 53.050 0.152 0.000 0.720 157 N CB -0.918 37.646 38.487 0.129 0.000 0.930 157 N HN 0.390 nan 8.380 nan 0.000 0.543 158 V N 1.116 121.099 119.914 0.116 0.000 2.686 158 V HA 0.127 4.247 4.120 -0.000 0.000 0.295 158 V C 1.335 177.490 176.094 0.101 0.000 1.055 158 V CA -0.555 61.804 62.300 0.098 0.000 1.050 158 V CB 1.200 33.080 31.823 0.096 0.000 0.984 158 V HN 0.152 nan 8.190 nan 0.000 0.482 159 L N 4.758 126.027 121.223 0.078 0.000 2.455 159 L HA 0.089 4.429 4.340 -0.000 0.000 0.272 159 L C 1.534 178.443 176.870 0.064 0.000 1.174 159 L CA 0.164 55.042 54.840 0.064 0.000 0.869 159 L CB 0.690 42.776 42.059 0.044 0.000 1.130 159 L HN 0.551 nan 8.230 nan 0.000 0.474 160 V N 4.617 124.568 119.914 0.062 0.000 2.469 160 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 160 V C 2.089 178.198 176.094 0.026 0.000 1.064 160 V CA 2.487 64.816 62.300 0.049 0.000 1.066 160 V CB -0.265 31.579 31.823 0.036 0.000 0.667 160 V HN 1.071 nan 8.190 nan 0.000 0.461 161 G N -1.417 107.396 108.800 0.022 0.000 2.448 161 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.218 161 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.218 161 G C 1.401 176.315 174.900 0.024 0.000 1.135 161 G CA 0.759 45.867 45.100 0.015 0.000 0.784 161 G HN 0.603 nan 8.290 nan 0.000 0.543 162 E N -0.426 119.795 120.200 0.035 0.000 2.076 162 E HA 0.314 4.664 4.350 -0.000 0.000 0.190 162 E C 1.424 178.053 176.600 0.049 0.000 0.979 162 E CA 0.324 56.750 56.400 0.044 0.000 0.807 162 E CB 0.046 29.779 29.700 0.054 0.000 0.761 162 E HN 0.444 nan 8.360 nan 0.000 0.454 163 G N 0.122 108.955 108.800 0.054 0.000 2.746 163 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.685 163 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.685 163 G C -0.760 174.183 174.900 0.072 0.000 1.350 163 G CA -0.536 44.597 45.100 0.056 0.000 0.837 163 G HN 0.144 nan 8.290 nan 0.000 0.564 164 V N 0.350 120.304 119.914 0.068 0.000 2.769 164 V HA 0.847 4.967 4.120 -0.000 0.000 0.312 164 V C 0.401 176.508 176.094 0.022 0.000 1.061 164 V CA -0.190 62.153 62.300 0.073 0.000 0.931 164 V CB 2.380 34.255 31.823 0.087 0.000 1.010 164 V HN 1.145 nan 8.190 nan 0.000 0.433 165 T N 3.061 117.615 114.554 0.001 0.000 2.812 165 T HA 0.516 4.866 4.350 -0.000 0.000 0.282 165 T C -0.616 174.000 174.700 -0.139 0.000 0.990 165 T CA -0.314 61.685 62.100 -0.169 0.000 0.960 165 T CB 1.519 70.115 68.868 -0.455 0.000 0.948 165 T HN 0.330 nan 8.240 nan 0.000 0.438 166 V N 4.709 124.490 119.914 -0.222 0.000 2.383 166 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 166 V C -0.368 175.580 176.094 -0.243 0.000 1.036 166 V CA -0.726 61.451 62.300 -0.204 0.000 0.889 166 V CB 1.214 32.819 31.823 -0.362 0.000 0.985 166 V HN 0.638 nan 8.190 nan 0.000 0.459 167 L N 4.899 126.049 121.223 -0.122 0.000 2.333 167 L HA 0.577 4.917 4.340 -0.000 0.000 0.280 167 L C 0.190 177.019 176.870 -0.069 0.000 1.004 167 L CA 0.292 55.059 54.840 -0.122 0.000 0.820 167 L CB 2.006 44.060 42.059 -0.009 0.000 1.247 167 L HN 0.603 nan 8.230 nan 0.000 0.416 168 S N 5.609 121.260 115.700 -0.082 0.000 2.448 168 S HA 0.550 5.020 4.470 -0.000 0.000 0.279 168 S C -0.405 174.180 174.600 -0.025 0.000 1.195 168 S CA -0.457 57.715 58.200 -0.047 0.000 1.051 168 S CB -0.324 62.849 63.200 -0.044 0.000 0.948 168 S HN 0.585 nan 8.310 nan 0.000 0.493 169 L N 6.859 128.067 121.223 -0.026 0.000 2.325 169 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 169 L C -1.657 175.179 176.870 -0.057 0.000 1.023 169 L CA -2.310 52.514 54.840 -0.026 0.000 0.811 169 L CB 1.513 43.550 42.059 -0.036 0.000 1.249 169 L HN 0.528 nan 8.230 nan 0.000 0.431 170 P HA 0.003 nan 4.420 nan 0.000 0.266 170 P C -0.553 176.597 177.300 -0.250 0.000 1.193 170 P CA -0.013 62.939 63.100 -0.247 0.000 0.770 170 P CB 0.599 31.953 31.700 -0.576 0.000 0.836 171 T N 0.177 114.570 114.554 -0.268 0.000 3.514 171 T HA 0.373 4.723 4.350 -0.000 0.000 0.259 171 T C -0.321 174.210 174.700 -0.281 0.000 1.466 171 T CA -0.159 61.808 62.100 -0.221 0.000 1.562 171 T CB -0.676 68.097 68.868 -0.159 0.000 0.924 171 T HN 0.772 nan 8.240 nan 0.000 0.678 172 S N 0.790 116.273 115.700 -0.362 0.000 2.978 172 S HA -0.104 4.366 4.470 -0.000 0.000 0.855 172 S C -0.998 173.345 174.600 -0.429 0.000 0.951 172 S CA -0.645 57.355 58.200 -0.334 0.000 1.377 172 S CB -0.654 62.410 63.200 -0.226 0.000 0.983 172 S HN 0.544 nan 8.310 nan 0.000 0.235 173 Y N 1.718 121.979 120.300 -0.065 0.000 2.732 173 Y HA 0.489 5.039 4.550 -0.000 0.000 0.327 173 Y C 1.171 177.029 175.900 -0.070 0.000 1.162 173 Y CA -0.266 57.793 58.100 -0.068 0.000 1.238 173 Y CB 0.628 39.050 38.460 -0.063 0.000 1.443 173 Y HN 0.817 nan 8.280 nan 0.000 0.584 174 D N 0.736 121.232 120.400 0.160 0.000 2.772 174 D HA -0.181 4.458 4.640 -0.000 0.000 0.233 174 D C -1.093 175.232 176.300 0.043 0.000 1.143 174 D CA 0.737 54.780 54.000 0.071 0.000 0.700 174 D CB -1.107 39.724 40.800 0.053 0.000 1.076 174 D HN 0.264 nan 8.370 nan 0.000 0.430 175 L N -0.051 121.193 121.223 0.035 0.000 2.395 175 L HA 0.476 4.816 4.340 -0.000 0.000 0.269 175 L C 1.800 178.734 176.870 0.108 0.000 1.133 175 L CA -0.098 54.742 54.840 0.000 0.000 0.812 175 L CB 1.056 43.060 42.059 -0.091 0.000 1.125 175 L HN 0.038 nan 8.230 nan 0.000 0.452 176 G N 0.431 109.353 108.800 0.203 0.000 2.580 176 G HA2 0.247 4.207 3.960 -0.000 0.000 0.278 176 G HA3 0.247 4.207 3.960 -0.000 0.000 0.278 176 G C -0.974 174.083 174.900 0.261 0.000 1.212 176 G CA -0.348 44.899 45.100 0.245 0.000 0.939 176 G HN 0.311 nan 8.290 nan 0.000 0.513 177 Y N -1.162 119.191 120.300 0.088 0.000 2.379 177 Y HA 0.330 4.880 4.550 -0.000 0.000 0.337 177 Y C 0.830 176.792 175.900 0.103 0.000 1.238 177 Y CA -0.036 58.117 58.100 0.089 0.000 1.405 177 Y CB 1.236 39.718 38.460 0.037 0.000 1.310 177 Y HN 0.146 nan 8.280 nan 0.000 0.569 178 V N 3.781 123.764 119.914 0.115 0.000 2.547 178 V HA 0.412 4.532 4.120 -0.000 0.000 0.299 178 V C -0.169 175.952 176.094 0.046 0.000 1.040 178 V CA -1.261 60.995 62.300 -0.074 0.000 0.913 178 V CB 1.647 33.169 31.823 -0.503 0.000 0.992 178 V HN 0.554 nan 8.190 nan 0.000 0.449 179 R N 2.632 123.101 120.500 -0.052 0.000 2.442 179 R HA 0.297 4.637 4.340 -0.000 0.000 0.291 179 R C 0.496 176.660 176.300 -0.227 0.000 1.069 179 R CA 0.186 56.089 56.100 -0.329 0.000 1.022 179 R CB 0.281 30.427 30.300 -0.257 0.000 0.976 179 R HN 0.709 nan 8.270 nan 0.000 0.443 180 L N 3.409 124.490 121.223 -0.236 0.000 2.599 180 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 180 L C 1.074 177.901 176.870 -0.071 0.000 1.141 180 L CA 0.710 55.477 54.840 -0.122 0.000 0.877 180 L CB 0.055 42.062 42.059 -0.086 0.000 1.009 180 L HN 1.095 nan 8.230 nan 0.000 0.447 181 G N 0.745 109.489 108.800 -0.092 0.000 2.149 181 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 181 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 181 G C -0.033 174.838 174.900 -0.048 0.000 1.018 181 G CA 0.210 45.279 45.100 -0.053 0.000 0.728 181 G HN 0.549 nan 8.290 nan 0.000 0.508 182 D N 0.365 120.720 120.400 -0.074 0.000 2.399 182 D HA 0.346 4.986 4.640 -0.000 0.000 0.241 182 D C -2.136 174.133 176.300 -0.052 0.000 1.133 182 D CA -1.293 52.671 54.000 -0.061 0.000 0.890 182 D CB 1.437 42.188 40.800 -0.083 0.000 1.201 182 D HN 0.245 nan 8.370 nan 0.000 0.432 183 P HA 0.174 nan 4.420 nan 0.000 0.275 183 P C 0.029 177.308 177.300 -0.035 0.000 1.227 183 P CA -0.350 62.731 63.100 -0.032 0.000 0.781 183 P CB 1.007 32.693 31.700 -0.024 0.000 0.906 184 I N 0.101 120.653 120.570 -0.031 0.000 2.822 184 I HA 0.624 4.794 4.170 -0.000 0.000 0.312 184 I C -2.502 173.602 176.117 -0.022 0.000 1.011 184 I CA -3.377 57.906 61.300 -0.028 0.000 1.105 184 I CB 0.910 38.893 38.000 -0.028 0.000 1.291 184 I HN 0.051 nan 8.210 nan 0.000 0.474 185 P HA 0.412 nan 4.420 nan 0.000 0.271 185 P C -1.026 176.267 177.300 -0.013 0.000 1.226 185 P CA 0.041 63.132 63.100 -0.015 0.000 0.765 185 P CB 0.845 32.537 31.700 -0.013 0.000 0.835 186 A N 3.461 126.274 122.820 -0.012 0.000 2.605 186 A HA 0.708 5.028 4.320 -0.000 0.000 0.294 186 A C -1.319 176.260 177.584 -0.009 0.000 1.062 186 A CA -0.553 51.478 52.037 -0.010 0.000 0.682 186 A CB 1.318 20.311 19.000 -0.011 0.000 1.278 186 A HN 0.526 nan 8.150 nan 0.000 0.410 187 I N -0.950 119.616 120.570 -0.007 0.000 2.730 187 I HA 0.969 5.139 4.170 -0.000 0.000 0.298 187 I C -0.168 175.946 176.117 -0.005 0.000 1.089 187 I CA -0.403 60.893 61.300 -0.006 0.000 1.041 187 I CB 1.398 39.395 38.000 -0.005 0.000 1.235 187 I HN 1.243 nan 8.210 nan 0.000 0.423 188 G N 4.148 112.945 108.800 -0.005 0.000 2.704 188 G HA2 0.483 4.443 3.960 -0.000 0.000 0.293 188 G HA3 0.483 4.443 3.960 -0.000 0.000 0.293 188 G C 0.026 174.924 174.900 -0.004 0.000 1.421 188 G CA -0.810 44.288 45.100 -0.004 0.000 0.870 188 G HN 0.700 nan 8.290 nan 0.000 0.492 189 L N -0.408 120.813 121.223 -0.004 0.000 2.131 189 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 189 L C 0.907 177.776 176.870 -0.003 0.000 1.092 189 L CA 0.719 55.557 54.840 -0.003 0.000 0.759 189 L CB -0.027 42.030 42.059 -0.003 0.000 0.903 189 L HN 0.359 nan 8.230 nan 0.000 0.435 190 D N 0.700 121.098 120.400 -0.003 0.000 2.317 190 D HA 0.078 4.718 4.640 -0.000 0.000 0.252 190 D C -1.409 174.890 176.300 -0.002 0.000 1.174 190 D CA -1.996 52.002 54.000 -0.003 0.000 0.866 190 D CB 1.601 42.400 40.800 -0.003 0.000 1.127 190 D HN -0.041 nan 8.370 nan 0.000 0.467 191 P HA -0.060 nan 4.420 nan 0.000 0.226 191 P C 0.367 177.666 177.300 -0.001 0.000 1.153 191 P CA 0.678 63.777 63.100 -0.001 0.000 0.777 191 P CB 0.403 32.102 31.700 -0.000 0.000 0.794 192 K N -0.962 119.438 120.400 -0.000 0.000 2.458 192 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 192 K C 1.265 177.865 176.600 -0.001 0.000 1.024 192 K CA -0.272 56.015 56.287 0.000 0.000 1.108 192 K CB -0.142 32.358 32.500 0.001 0.000 0.846 192 K HN 0.165 nan 8.250 nan 0.000 0.518 193 M N 2.075 121.674 119.600 -0.002 0.000 2.249 193 M HA 0.040 4.520 4.480 -0.000 0.000 0.340 193 M C -0.835 175.463 176.300 -0.004 0.000 1.166 193 M CA 0.695 55.993 55.300 -0.003 0.000 1.115 193 M CB 0.587 33.184 32.600 -0.004 0.000 1.606 193 M HN -0.184 nan 8.290 nan 0.000 0.448 194 V N 3.979 123.891 119.914 -0.004 0.000 2.760 194 V HA 0.811 4.931 4.120 -0.000 0.000 0.309 194 V C -0.827 175.262 176.094 -0.009 0.000 1.077 194 V CA -0.876 61.421 62.300 -0.006 0.000 0.910 194 V CB 1.788 33.610 31.823 -0.003 0.000 1.008 194 V HN 0.986 nan 8.190 nan 0.000 0.424 195 A N 2.917 125.729 122.820 -0.012 0.000 2.402 195 A HA 0.912 5.232 4.320 -0.000 0.000 0.291 195 A C -0.328 177.242 177.584 -0.024 0.000 1.051 195 A CA -0.175 51.852 52.037 -0.018 0.000 0.716 195 A CB 1.779 20.769 19.000 -0.017 0.000 1.223 195 A HN 1.032 nan 8.150 nan 0.000 0.425 196 T N -1.938 112.598 114.554 -0.030 0.000 2.901 196 T HA 0.609 4.959 4.350 -0.000 0.000 0.293 196 T C -0.645 174.022 174.700 -0.055 0.000 1.084 196 T CA -0.757 61.319 62.100 -0.040 0.000 1.008 196 T CB 1.420 70.267 68.868 -0.035 0.000 1.170 196 T HN 1.191 nan 8.240 nan 0.000 0.509 197 C N 2.477 121.734 119.300 -0.071 0.000 2.264 197 C HA 0.649 5.109 4.460 -0.000 0.000 0.324 197 C C -0.644 174.284 174.990 -0.103 0.000 1.267 197 C CA -0.407 58.559 59.018 -0.088 0.000 1.618 197 C CB -1.259 26.421 27.740 -0.099 0.000 2.278 197 C HN 0.878 nan 8.230 nan 0.000 0.499 198 D N 2.866 123.205 120.400 -0.102 0.000 2.332 198 D HA 0.302 4.942 4.640 -0.000 0.000 0.252 198 D C -0.073 176.179 176.300 -0.080 0.000 1.050 198 D CA -0.068 53.880 54.000 -0.087 0.000 0.970 198 D CB 1.315 42.066 40.800 -0.081 0.000 1.141 198 D HN 0.506 nan 8.370 nan 0.000 0.485 199 S N -0.195 115.472 115.700 -0.055 0.000 2.515 199 S HA 0.172 4.642 4.470 -0.000 0.000 0.285 199 S C 1.009 175.608 174.600 -0.001 0.000 1.265 199 S CA -0.173 57.990 58.200 -0.062 0.000 1.079 199 S CB 0.228 63.376 63.200 -0.086 0.000 0.877 199 S HN 0.509 nan 8.310 nan 0.000 0.493 200 S N 1.501 117.206 115.700 0.009 0.000 3.019 200 S HA 0.128 4.598 4.470 -0.000 0.000 0.258 200 S C -0.346 174.304 174.600 0.083 0.000 1.082 200 S CA -0.533 57.704 58.200 0.061 0.000 0.836 200 S CB -0.437 62.771 63.200 0.014 0.000 0.834 200 S HN 0.566 nan 8.310 nan 0.000 0.457 201 D N 3.309 123.754 120.400 0.075 0.000 2.571 201 D HA 0.247 4.887 4.640 -0.000 0.000 0.231 201 D C 0.135 176.505 176.300 0.118 0.000 1.133 201 D CA 0.651 54.710 54.000 0.099 0.000 0.862 201 D CB -0.050 40.825 40.800 0.123 0.000 1.179 201 D HN 0.189 nan 8.370 nan 0.000 0.474 202 R N -0.425 120.133 120.500 0.096 0.000 3.184 202 R HA -0.103 4.237 4.340 -0.000 0.000 0.257 202 R C -2.462 173.875 176.300 0.062 0.000 0.999 202 R CA -0.021 56.127 56.100 0.080 0.000 0.670 202 R CB -1.749 28.623 30.300 0.119 0.000 1.197 202 R HN 0.463 nan 8.270 nan 0.000 0.419 203 P HA 0.084 nan 4.420 nan 0.000 0.274 203 P C -0.392 176.887 177.300 -0.034 0.000 1.237 203 P CA -0.135 62.979 63.100 0.022 0.000 0.793 203 P CB 0.749 32.469 31.700 0.034 0.000 0.977 204 R N 1.223 121.678 120.500 -0.075 0.000 2.407 204 R HA 0.541 4.881 4.340 -0.000 0.000 0.303 204 R C -1.401 174.771 176.300 -0.214 0.000 0.981 204 R CA -0.736 55.261 56.100 -0.171 0.000 0.905 204 R CB 0.952 31.126 30.300 -0.211 0.000 1.099 204 R HN 0.268 nan 8.270 nan 0.000 0.459 205 V N 5.360 125.114 119.914 -0.267 0.000 2.531 205 V HA 0.369 4.489 4.120 -0.000 0.000 0.301 205 V C -1.300 174.651 176.094 -0.238 0.000 1.034 205 V CA -0.698 61.488 62.300 -0.191 0.000 0.865 205 V CB 1.534 33.299 31.823 -0.097 0.000 0.995 205 V HN 0.698 nan 8.190 nan 0.000 0.424 206 Y N 1.806 122.079 120.300 -0.044 0.000 2.360 206 Y HA 0.613 5.163 4.550 -0.000 0.000 0.337 206 Y C 0.719 176.577 175.900 -0.070 0.000 1.039 206 Y CA -0.542 57.530 58.100 -0.047 0.000 1.109 206 Y CB 2.131 40.569 38.460 -0.037 0.000 1.201 206 Y HN 0.491 nan 8.280 nan 0.000 0.458 207 T N 5.304 119.904 114.554 0.077 0.000 2.786 207 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 207 T C -0.582 174.074 174.700 -0.074 0.000 0.992 207 T CA -0.519 61.570 62.100 -0.019 0.000 0.954 207 T CB 0.293 69.140 68.868 -0.034 0.000 0.934 207 T HN 0.382 nan 8.240 nan 0.000 0.440 208 I N 2.791 123.263 120.570 -0.164 0.000 2.410 208 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 208 I C 0.239 176.161 176.117 -0.326 0.000 1.009 208 I CA -0.666 60.459 61.300 -0.291 0.000 1.111 208 I CB 1.843 39.553 38.000 -0.484 0.000 1.262 208 I HN 0.456 nan 8.210 nan 0.000 0.443 209 T N 5.735 120.136 114.554 -0.255 0.000 2.863 209 T HA 0.223 4.573 4.350 -0.000 0.000 0.299 209 T C 1.181 175.723 174.700 -0.264 0.000 0.973 209 T CA -0.216 61.759 62.100 -0.210 0.000 0.994 209 T CB 1.051 69.842 68.868 -0.129 0.000 0.961 209 T HN 0.760 nan 8.240 nan 0.000 0.552 210 A N 2.949 125.574 122.820 -0.325 0.000 2.014 210 A HA 0.557 4.877 4.320 -0.000 0.000 0.218 210 A C 1.220 178.742 177.584 -0.104 0.000 1.163 210 A CA 0.594 52.457 52.037 -0.289 0.000 0.652 210 A CB 0.117 19.008 19.000 -0.181 0.000 0.808 210 A HN 0.856 nan 8.150 nan 0.000 0.449 211 A N -0.801 121.972 122.820 -0.077 0.000 2.540 211 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 211 A C -1.909 175.676 177.584 0.001 0.000 1.056 211 A CA -0.307 51.727 52.037 -0.004 0.000 0.700 211 A CB 1.110 20.134 19.000 0.040 0.000 1.280 211 A HN 0.041 nan 8.150 nan 0.000 0.398 212 D N 2.061 122.493 120.400 0.054 0.000 2.363 212 D HA 0.439 5.079 4.640 -0.000 0.000 0.258 212 D C -0.784 175.567 176.300 0.085 0.000 1.259 212 D CA 0.243 54.267 54.000 0.041 0.000 0.921 212 D CB 0.317 41.131 40.800 0.025 0.000 1.201 212 D HN 0.463 nan 8.370 nan 0.000 0.524 213 D N 1.707 122.158 120.400 0.085 0.000 2.723 213 D HA -0.279 4.361 4.640 -0.000 0.000 0.236 213 D C -0.600 175.789 176.300 0.147 0.000 1.138 213 D CA 0.497 54.560 54.000 0.105 0.000 0.676 213 D CB -1.906 38.943 40.800 0.081 0.000 1.069 213 D HN 0.455 nan 8.370 nan 0.000 0.430 214 Y N 0.964 121.313 120.300 0.082 0.000 2.425 214 Y HA 0.277 4.827 4.550 -0.000 0.000 0.331 214 Y C 0.410 176.402 175.900 0.152 0.000 1.157 214 Y CA 0.146 58.314 58.100 0.114 0.000 1.372 214 Y CB 0.680 39.230 38.460 0.151 0.000 1.253 214 Y HN -0.067 nan 8.280 nan 0.000 0.536 215 Q N 7.166 126.550 119.800 -0.694 0.000 2.314 215 Q HA 0.200 4.540 4.340 -0.000 0.000 0.259 215 Q C -1.518 173.970 176.000 -0.854 0.000 0.951 215 Q CA -0.513 54.970 55.803 -0.534 0.000 0.909 215 Q CB 1.382 29.928 28.738 -0.321 0.000 1.236 215 Q HN 0.720 nan 8.270 nan 0.000 0.444 216 F N 1.570 121.020 119.950 -0.833 0.000 2.436 216 F HA 0.548 5.075 4.527 -0.000 0.000 0.340 216 F C -0.591 174.821 175.800 -0.647 0.000 1.113 216 F CA -0.448 57.007 58.000 -0.909 0.000 1.022 216 F CB 1.567 39.512 39.000 -1.757 0.000 1.128 216 F HN 0.311 nan 8.300 nan 0.000 0.466 217 S N 4.084 118.961 115.700 -1.371 0.000 2.566 217 S HA 0.669 5.139 4.470 -0.000 0.000 0.273 217 S C -1.373 172.638 174.600 -0.981 0.000 1.157 217 S CA -0.298 57.288 58.200 -1.023 0.000 0.938 217 S CB 1.115 64.014 63.200 -0.501 0.000 1.087 217 S HN 1.105 nan 8.310 nan 0.000 0.474 218 S N 3.699 118.949 115.700 -0.750 0.000 2.552 218 S HA 0.439 4.909 4.470 -0.000 0.000 0.272 218 S C -1.805 172.693 174.600 -0.170 0.000 1.150 218 S CA -0.641 57.309 58.200 -0.417 0.000 0.849 218 S CB 1.602 64.556 63.200 -0.409 0.000 1.113 218 S HN 0.731 nan 8.310 nan 0.000 0.458 219 Q N 1.928 121.677 119.800 -0.085 0.000 2.352 219 Q HA 0.191 4.531 4.340 -0.000 0.000 0.260 219 Q C -0.366 175.669 176.000 0.058 0.000 0.976 219 Q CA -0.158 55.648 55.803 0.006 0.000 0.881 219 Q CB 0.495 29.238 28.738 0.009 0.000 1.235 219 Q HN 0.759 nan 8.270 nan 0.000 0.419 220 Y N 2.551 122.862 120.300 0.018 0.000 2.648 220 Y HA -0.159 4.391 4.550 -0.000 0.000 0.353 220 Y C -0.364 175.561 175.900 0.041 0.000 1.271 220 Y CA 0.881 59.008 58.100 0.045 0.000 1.483 220 Y CB 0.494 38.979 38.460 0.041 0.000 1.359 220 Y HN 0.619 nan 8.280 nan 0.000 0.669 221 Q N 2.885 121.894 119.800 -1.319 0.000 2.518 221 Q HA 0.189 4.529 4.340 -0.000 0.000 0.254 221 Q C -1.664 173.706 176.000 -1.050 0.000 0.962 221 Q CA -0.565 54.681 55.803 -0.928 0.000 0.982 221 Q CB 1.596 30.129 28.738 -0.341 0.000 1.516 221 Q HN 0.846 nan 8.270 nan 0.000 0.426 222 S N 0.876 116.194 115.700 -0.637 0.000 2.562 222 S HA 0.501 4.970 4.470 -0.000 0.000 0.281 222 S C 1.094 175.607 174.600 -0.144 0.000 1.333 222 S CA 1.861 59.928 58.200 -0.220 0.000 1.052 222 S CB 0.381 63.588 63.200 0.013 0.000 0.884 222 S HN 1.109 nan 8.310 nan 0.000 0.506 223 G N 2.485 111.247 108.800 -0.062 0.000 2.258 223 G HA2 0.048 4.008 3.960 -0.000 0.000 0.233 223 G HA3 0.048 4.008 3.960 -0.000 0.000 0.233 223 G C 1.029 175.910 174.900 -0.032 0.000 1.006 223 G CA 0.197 45.276 45.100 -0.035 0.000 0.620 223 G HN 2.085 nan 8.290 nan 0.000 0.511 224 G N -2.233 106.528 108.800 -0.066 0.000 2.661 224 G HA2 0.324 4.284 3.960 -0.000 0.000 0.685 224 G HA3 0.324 4.284 3.960 -0.000 0.000 0.685 224 G C -0.573 174.326 174.900 -0.002 0.000 1.298 224 G CA 0.055 45.144 45.100 -0.018 0.000 0.855 224 G HN 1.545 nan 8.290 nan 0.000 0.560 225 V N 0.801 120.754 119.914 0.065 0.000 2.487 225 V HA 0.724 4.843 4.120 -0.000 0.000 0.298 225 V C 0.504 176.665 176.094 0.112 0.000 1.028 225 V CA -0.235 62.130 62.300 0.108 0.000 0.860 225 V CB 1.837 33.795 31.823 0.225 0.000 0.991 225 V HN 1.050 nan 8.190 nan 0.000 0.427 226 T N 6.543 121.149 114.554 0.088 0.000 2.867 226 T HA 0.779 5.129 4.350 -0.000 0.000 0.282 226 T C -0.283 174.476 174.700 0.099 0.000 1.000 226 T CA -0.182 61.963 62.100 0.075 0.000 1.042 226 T CB 1.113 70.007 68.868 0.042 0.000 0.973 226 T HN 0.683 nan 8.240 nan 0.000 0.465 227 I N -1.200 119.430 120.570 0.100 0.000 2.994 227 I HA 0.688 4.858 4.170 -0.000 0.000 0.306 227 I C -0.899 175.256 176.117 0.063 0.000 1.195 227 I CA -0.968 60.399 61.300 0.112 0.000 1.001 227 I CB 2.601 40.721 38.000 0.201 0.000 1.244 227 I HN 0.342 nan 8.210 nan 0.000 0.437 228 T N 4.478 119.049 114.554 0.028 0.000 2.821 228 T HA 0.283 4.633 4.350 -0.000 0.000 0.307 228 T C 0.645 175.329 174.700 -0.027 0.000 1.034 228 T CA -0.279 61.800 62.100 -0.035 0.000 0.953 228 T CB 1.292 70.113 68.868 -0.078 0.000 0.968 228 T HN 0.587 nan 8.240 nan 0.000 0.462 229 L N 4.191 125.403 121.223 -0.018 0.000 2.046 229 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 229 L C 0.198 177.134 176.870 0.109 0.000 1.077 229 L CA 1.857 56.720 54.840 0.039 0.000 0.747 229 L CB -0.318 41.839 42.059 0.163 0.000 0.896 229 L HN 0.746 nan 8.230 nan 0.000 0.432 230 F N -4.140 115.793 119.950 -0.028 0.000 2.773 230 F HA 0.606 5.133 4.527 -0.000 0.000 0.314 230 F C -0.768 175.017 175.800 -0.025 0.000 1.160 230 F CA -0.997 56.978 58.000 -0.041 0.000 0.920 230 F CB 0.661 39.629 39.000 -0.054 0.000 1.323 230 F HN -0.356 nan 8.300 nan 0.000 0.457 231 S N 1.057 116.864 115.700 0.179 0.000 2.614 231 S HA 0.879 5.349 4.470 -0.000 0.000 0.275 231 S C -1.451 173.258 174.600 0.180 0.000 1.161 231 S CA 0.146 58.389 58.200 0.071 0.000 0.969 231 S CB 1.120 64.306 63.200 -0.024 0.000 1.059 231 S HN 1.625 nan 8.310 nan 0.000 0.482 232 A N 4.028 126.948 122.820 0.167 0.000 2.475 232 A HA 0.749 5.069 4.320 -0.000 0.000 0.301 232 A C -0.997 176.578 177.584 -0.014 0.000 1.059 232 A CA -0.908 51.173 52.037 0.074 0.000 0.710 232 A CB 1.119 20.157 19.000 0.063 0.000 1.288 232 A HN 0.740 nan 8.150 nan 0.000 0.408 233 N N 1.429 120.105 118.700 -0.040 0.000 2.458 233 N HA 0.549 5.288 4.740 -0.000 0.000 0.270 233 N C -0.375 175.021 175.510 -0.189 0.000 1.102 233 N CA 0.246 53.261 53.050 -0.058 0.000 0.967 233 N CB 1.058 39.546 38.487 0.002 0.000 1.078 233 N HN 0.747 nan 8.380 nan 0.000 0.471 234 I N -2.056 118.378 120.570 -0.227 0.000 3.191 234 I HA 0.569 4.739 4.170 -0.000 0.000 0.313 234 I C -1.277 174.798 176.117 -0.071 0.000 1.193 234 I CA -0.957 60.059 61.300 -0.473 0.000 0.968 234 I CB 2.827 40.371 38.000 -0.761 0.000 1.262 234 I HN 0.044 nan 8.210 nan 0.000 0.456 235 D N 2.415 122.892 120.400 0.127 0.000 2.649 235 D HA 0.718 5.357 4.640 -0.000 0.000 0.249 235 D C -1.097 175.294 176.300 0.151 0.000 1.112 235 D CA -0.180 53.916 54.000 0.161 0.000 0.850 235 D CB 2.430 43.354 40.800 0.206 0.000 1.399 235 D HN 0.892 nan 8.370 nan 0.000 0.503 236 A N 2.084 124.956 122.820 0.086 0.000 2.488 236 A HA 0.533 4.853 4.320 -0.000 0.000 0.295 236 A C -0.184 177.405 177.584 0.008 0.000 1.045 236 A CA -0.522 51.549 52.037 0.056 0.000 0.703 236 A CB 0.929 19.961 19.000 0.053 0.000 1.271 236 A HN 0.558 nan 8.150 nan 0.000 0.400 237 I N 0.503 121.058 120.570 -0.026 0.000 3.971 237 I HA 0.119 4.288 4.170 -0.000 0.000 0.303 237 I C 1.241 177.334 176.117 -0.040 0.000 1.233 237 I CA 1.067 62.309 61.300 -0.097 0.000 1.346 237 I CB 0.681 38.526 38.000 -0.258 0.000 1.273 237 I HN 0.794 nan 8.210 nan 0.000 0.448 238 T N -1.467 113.100 114.554 0.022 0.000 2.762 238 T HA 0.388 4.738 4.350 -0.000 0.000 0.272 238 T C 0.305 175.051 174.700 0.076 0.000 0.982 238 T CA -0.455 61.677 62.100 0.052 0.000 1.013 238 T CB 1.178 70.103 68.868 0.095 0.000 1.309 238 T HN 0.132 nan 8.240 nan 0.000 0.572 239 S N 0.665 116.428 115.700 0.105 0.000 2.561 239 S HA 0.316 4.786 4.470 -0.000 0.000 0.294 239 S C 0.090 174.821 174.600 0.218 0.000 1.294 239 S CA -0.316 57.983 58.200 0.166 0.000 1.055 239 S CB -1.086 62.225 63.200 0.185 0.000 0.819 239 S HN 1.183 nan 8.310 nan 0.000 0.503 240 L N -0.435 120.872 121.223 0.140 0.000 2.491 240 L HA 0.935 5.275 4.340 -0.000 0.000 0.254 240 L C -0.751 176.122 176.870 0.005 0.000 1.048 240 L CA -1.104 53.700 54.840 -0.060 0.000 0.855 240 L CB 1.819 43.860 42.059 -0.029 0.000 1.466 240 L HN 0.834 nan 8.230 nan 0.000 0.409 241 S N -0.169 115.487 115.700 -0.074 0.000 2.569 241 S HA 0.843 5.313 4.470 -0.000 0.000 0.280 241 S C -0.917 173.697 174.600 0.023 0.000 1.111 241 S CA -0.693 57.528 58.200 0.035 0.000 0.887 241 S CB 1.918 65.180 63.200 0.104 0.000 1.095 241 S HN 0.640 nan 8.310 nan 0.000 0.476 242 I N 1.367 121.975 120.570 0.063 0.000 2.447 242 I HA 0.698 4.868 4.170 -0.000 0.000 0.287 242 I C 0.424 176.603 176.117 0.103 0.000 1.023 242 I CA -0.514 60.826 61.300 0.067 0.000 1.083 242 I CB 1.979 40.036 38.000 0.095 0.000 1.245 242 I HN 0.957 nan 8.210 nan 0.000 0.434 243 G N 2.870 111.704 108.800 0.057 0.000 2.818 243 G HA2 0.882 4.842 3.960 -0.000 0.000 0.286 243 G HA3 0.882 4.842 3.960 -0.000 0.000 0.286 243 G C -0.454 174.466 174.900 0.034 0.000 1.364 243 G CA -0.440 44.717 45.100 0.095 0.000 0.938 243 G HN 1.024 nan 8.290 nan 0.000 0.490 244 G N -1.119 107.739 108.800 0.097 0.000 2.342 244 G HA2 0.399 4.359 3.960 -0.000 0.000 0.220 244 G HA3 0.399 4.359 3.960 -0.000 0.000 0.220 244 G C -0.821 174.208 174.900 0.216 0.000 1.243 244 G CA 0.298 45.431 45.100 0.055 0.000 1.083 244 G HN 1.166 nan 8.290 nan 0.000 0.500 245 E N -1.382 118.911 120.200 0.155 0.000 2.380 245 E HA 0.573 4.922 4.350 -0.000 0.000 0.281 245 E C -1.538 175.185 176.600 0.205 0.000 0.999 245 E CA -0.826 55.741 56.400 0.280 0.000 0.800 245 E CB 1.561 31.351 29.700 0.150 0.000 1.228 245 E HN 0.654 nan 8.360 nan 0.000 0.436 246 L N 2.937 124.343 121.223 0.305 0.000 2.329 246 L HA 0.594 4.934 4.340 -0.000 0.000 0.279 246 L C -0.810 176.088 176.870 0.048 0.000 1.014 246 L CA -1.107 53.810 54.840 0.128 0.000 0.814 246 L CB 1.920 44.152 42.059 0.289 0.000 1.257 246 L HN 0.341 nan 8.230 nan 0.000 0.424 247 V N 3.357 123.162 119.914 -0.183 0.000 2.417 247 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 247 V C -0.580 175.250 176.094 -0.439 0.000 1.024 247 V CA -0.400 61.794 62.300 -0.176 0.000 0.861 247 V CB 1.466 33.171 31.823 -0.196 0.000 0.985 247 V HN 0.353 nan 8.190 nan 0.000 0.436 248 F N 3.037 122.836 119.950 -0.251 0.000 2.480 248 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 248 F C 0.383 176.108 175.800 -0.125 0.000 1.091 248 F CA -0.504 57.359 58.000 -0.229 0.000 0.972 248 F CB 1.359 40.177 39.000 -0.303 0.000 1.150 248 F HN 0.476 nan 8.300 nan 0.000 0.467 249 H N 0.013 119.226 119.070 0.238 0.000 2.538 249 H HA 0.634 5.190 4.556 -0.000 0.000 0.353 249 H C -0.614 174.861 175.328 0.244 0.000 1.109 249 H CA -0.845 55.314 56.048 0.185 0.000 1.192 249 H CB 2.369 32.208 29.762 0.128 0.000 1.555 249 H HN 0.595 nan 8.280 nan 0.000 0.518 250 T N 0.214 114.946 114.554 0.297 0.000 2.889 250 T HA 0.191 4.541 4.350 -0.000 0.000 0.315 250 T C 0.234 174.982 174.700 0.081 0.000 1.291 250 T CA -0.433 61.802 62.100 0.225 0.000 1.028 250 T CB 1.167 70.180 68.868 0.242 0.000 1.235 250 T HN 0.654 nan 8.240 nan 0.000 0.491 251 S N 0.938 116.659 115.700 0.035 0.000 2.526 251 S HA 0.300 4.770 4.470 -0.000 0.000 0.220 251 S C 0.526 175.029 174.600 -0.163 0.000 1.017 251 S CA -0.192 57.973 58.200 -0.058 0.000 0.930 251 S CB 0.133 63.322 63.200 -0.018 0.000 0.856 251 S HN 0.521 nan 8.310 nan 0.000 0.497 252 V N 3.811 123.678 119.914 -0.079 0.000 2.732 252 V HA 0.288 4.408 4.120 -0.000 0.000 0.297 252 V C 0.262 176.257 176.094 -0.165 0.000 1.060 252 V CA -0.409 61.850 62.300 -0.068 0.000 1.038 252 V CB 0.462 32.323 31.823 0.063 0.000 1.003 252 V HN 0.486 nan 8.190 nan 0.000 0.481 253 H N 2.004 121.119 119.070 0.074 0.000 2.496 253 H HA 0.424 4.980 4.556 -0.000 0.000 0.342 253 H C 1.221 176.589 175.328 0.066 0.000 1.170 253 H CA 0.451 56.538 56.048 0.063 0.000 1.274 253 H CB 1.533 31.320 29.762 0.042 0.000 1.538 253 H HN 0.921 nan 8.280 nan 0.000 0.542 254 G N 1.361 110.273 108.800 0.187 0.000 2.162 254 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 254 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 254 G C 0.176 175.142 174.900 0.110 0.000 0.976 254 G CA 0.106 45.280 45.100 0.124 0.000 0.655 254 G HN 0.427 nan 8.290 nan 0.000 0.533 255 L N 0.378 121.672 121.223 0.117 0.000 2.371 255 L HA 0.647 4.987 4.340 -0.000 0.000 0.272 255 L C 0.717 177.620 176.870 0.056 0.000 1.124 255 L CA 0.065 54.979 54.840 0.124 0.000 0.816 255 L CB 1.443 43.615 42.059 0.187 0.000 1.129 255 L HN 0.383 nan 8.230 nan 0.000 0.448 256 A N 4.233 127.074 122.820 0.035 0.000 2.414 256 A HA 0.831 5.151 4.320 -0.000 0.000 0.306 256 A C -1.013 176.519 177.584 -0.088 0.000 1.054 256 A CA -0.555 51.459 52.037 -0.038 0.000 0.724 256 A CB 1.401 20.390 19.000 -0.017 0.000 1.267 256 A HN 0.607 nan 8.150 nan 0.000 0.418 257 L N 1.418 122.523 121.223 -0.197 0.000 2.334 257 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 257 L C -0.967 175.777 176.870 -0.210 0.000 1.013 257 L CA -0.848 53.831 54.840 -0.267 0.000 0.816 257 L CB 2.031 43.759 42.059 -0.551 0.000 1.278 257 L HN 0.596 nan 8.230 nan 0.000 0.431 258 D N 1.921 122.222 120.400 -0.165 0.000 2.649 258 D HA 0.656 5.296 4.640 -0.000 0.000 0.249 258 D C -0.975 175.251 176.300 -0.123 0.000 1.112 258 D CA -0.163 53.761 54.000 -0.127 0.000 0.850 258 D CB 2.632 43.389 40.800 -0.072 0.000 1.399 258 D HN 0.582 nan 8.370 nan 0.000 0.503 259 A N 1.608 124.348 122.820 -0.133 0.000 2.414 259 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 259 A C -0.595 176.932 177.584 -0.095 0.000 1.054 259 A CA -0.511 51.468 52.037 -0.096 0.000 0.724 259 A CB 1.867 20.790 19.000 -0.127 0.000 1.267 259 A HN 0.349 nan 8.150 nan 0.000 0.418 260 T N 2.592 117.117 114.554 -0.048 0.000 2.912 260 T HA 0.504 4.854 4.350 -0.000 0.000 0.299 260 T C -0.698 173.907 174.700 -0.159 0.000 1.052 260 T CA -0.338 61.669 62.100 -0.155 0.000 0.996 260 T CB 1.019 69.739 68.868 -0.246 0.000 1.070 260 T HN 0.481 nan 8.240 nan 0.000 0.465 261 I N 2.896 123.326 120.570 -0.233 0.000 2.392 261 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 261 I C -1.004 174.900 176.117 -0.356 0.000 0.985 261 I CA -0.715 60.511 61.300 -0.122 0.000 1.221 261 I CB 1.324 39.342 38.000 0.030 0.000 1.366 261 I HN 0.673 nan 8.210 nan 0.000 0.467 262 Y N 5.534 125.813 120.300 -0.034 0.000 2.391 262 Y HA 0.507 5.057 4.550 -0.000 0.000 0.341 262 Y C -0.248 175.632 175.900 -0.032 0.000 0.965 262 Y CA -0.722 57.357 58.100 -0.035 0.000 1.067 262 Y CB 1.843 40.272 38.460 -0.053 0.000 1.199 262 Y HN 0.250 nan 8.280 nan 0.000 0.450 263 L N 5.224 126.514 121.223 0.112 0.000 2.305 263 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 263 L C -0.838 176.072 176.870 0.066 0.000 1.013 263 L CA -0.710 54.169 54.840 0.064 0.000 0.819 263 L CB 1.032 43.111 42.059 0.034 0.000 1.227 263 L HN 0.485 nan 8.230 nan 0.000 0.417 264 I N 2.012 122.610 120.570 0.046 0.000 2.460 264 I HA 0.463 4.633 4.170 -0.000 0.000 0.298 264 I C 0.822 176.959 176.117 0.034 0.000 0.989 264 I CA -0.245 61.074 61.300 0.032 0.000 1.173 264 I CB 1.569 39.572 38.000 0.005 0.000 1.338 264 I HN 0.554 nan 8.210 nan 0.000 0.456 265 G N 2.609 111.432 108.800 0.038 0.000 2.547 265 G HA2 0.243 4.203 3.960 -0.000 0.000 0.291 265 G HA3 0.243 4.203 3.960 -0.000 0.000 0.291 265 G C 0.326 175.293 174.900 0.112 0.000 1.211 265 G CA -0.345 44.800 45.100 0.075 0.000 0.950 265 G HN 0.573 nan 8.290 nan 0.000 0.504 266 F N 0.648 120.585 119.950 -0.021 0.000 2.202 266 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 266 F C 2.188 177.907 175.800 -0.135 0.000 1.082 266 F CA 1.972 59.884 58.000 -0.148 0.000 1.313 266 F CB 0.215 38.978 39.000 -0.395 0.000 1.024 266 F HN 0.427 nan 8.300 nan 0.000 0.495 267 D N -1.071 119.340 120.400 0.018 0.000 2.319 267 D HA 0.156 4.796 4.640 -0.000 0.000 0.230 267 D C 1.837 178.117 176.300 -0.034 0.000 1.094 267 D CA 0.727 54.723 54.000 -0.007 0.000 0.856 267 D CB -0.530 40.431 40.800 0.269 0.000 0.915 267 D HN 0.417 nan 8.370 nan 0.000 0.517 268 G N 0.234 108.997 108.800 -0.062 0.000 2.225 268 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 268 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 268 G C 0.580 175.469 174.900 -0.019 0.000 0.988 268 G CA 0.627 45.694 45.100 -0.055 0.000 0.625 268 G HN 0.811 nan 8.290 nan 0.000 0.527 269 T N -0.681 113.884 114.554 0.018 0.000 2.868 269 T HA 0.548 4.898 4.350 -0.000 0.000 0.292 269 T C 0.362 175.078 174.700 0.027 0.000 1.028 269 T CA 0.562 62.678 62.100 0.027 0.000 1.059 269 T CB 1.610 70.511 68.868 0.056 0.000 0.991 269 T HN 0.336 nan 8.240 nan 0.000 0.531 270 T N 2.354 116.929 114.554 0.036 0.000 2.794 270 T HA 0.317 4.666 4.350 -0.000 0.000 0.296 270 T C 1.257 175.987 174.700 0.050 0.000 0.949 270 T CA -0.705 61.434 62.100 0.065 0.000 1.101 270 T CB 1.053 69.989 68.868 0.112 0.000 0.905 270 T HN 0.535 nan 8.240 nan 0.000 0.516 271 V N 3.854 123.792 119.914 0.040 0.000 2.795 271 V HA 0.334 4.454 4.120 -0.000 0.000 0.243 271 V C 0.602 176.705 176.094 0.015 0.000 1.069 271 V CA 0.755 63.061 62.300 0.010 0.000 1.089 271 V CB 0.064 31.879 31.823 -0.013 0.000 0.756 271 V HN 0.737 nan 8.190 nan 0.000 0.471 272 I N 0.327 120.913 120.570 0.027 0.000 2.656 272 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 272 I C -0.778 175.322 176.117 -0.029 0.000 1.144 272 I CA -0.266 61.036 61.300 0.002 0.000 1.038 272 I CB 2.563 40.561 38.000 -0.004 0.000 1.244 272 I HN 0.163 nan 8.210 nan 0.000 0.420 273 T N 2.295 116.796 114.554 -0.088 0.000 2.861 273 T HA 0.720 5.070 4.350 -0.000 0.000 0.287 273 T C -0.586 173.990 174.700 -0.206 0.000 1.003 273 T CA -0.955 60.990 62.100 -0.258 0.000 0.977 273 T CB 2.260 70.955 68.868 -0.287 0.000 0.996 273 T HN 0.353 nan 8.240 nan 0.000 0.448 274 R N 1.289 121.639 120.500 -0.249 0.000 2.574 274 R HA 0.748 5.088 4.340 -0.000 0.000 0.288 274 R C -0.476 175.718 176.300 -0.175 0.000 1.004 274 R CA -0.843 55.164 56.100 -0.156 0.000 0.895 274 R CB 1.780 32.030 30.300 -0.083 0.000 1.191 274 R HN 1.002 nan 8.270 nan 0.000 0.444 275 A N 2.070 124.804 122.820 -0.143 0.000 2.401 275 A HA 0.380 4.699 4.320 -0.000 0.000 0.259 275 A C 0.680 178.170 177.584 -0.157 0.000 1.103 275 A CA -0.235 51.715 52.037 -0.144 0.000 0.789 275 A CB 0.583 19.513 19.000 -0.116 0.000 1.035 275 A HN 0.479 nan 8.150 nan 0.000 0.491 276 V N 1.267 121.060 119.914 -0.203 0.000 3.359 276 V HA 0.420 4.540 4.120 -0.000 0.000 0.245 276 V C 0.916 176.822 176.094 -0.314 0.000 1.247 276 V CA 1.313 63.423 62.300 -0.317 0.000 1.145 276 V CB 0.252 31.796 31.823 -0.465 0.000 0.906 276 V HN 1.137 nan 8.190 nan 0.000 0.464 277 A N -0.497 122.175 122.820 -0.246 0.000 2.427 277 A HA 0.782 5.102 4.320 -0.000 0.000 0.298 277 A C -0.677 176.807 177.584 -0.167 0.000 1.036 277 A CA -0.222 51.681 52.037 -0.223 0.000 0.701 277 A CB 1.978 20.814 19.000 -0.273 0.000 1.250 277 A HN 0.079 nan 8.150 nan 0.000 0.412 278 S N 1.812 117.428 115.700 -0.140 0.000 2.779 278 S HA 0.487 4.957 4.470 -0.000 0.000 0.293 278 S C -0.437 174.108 174.600 -0.093 0.000 1.150 278 S CA 0.242 58.380 58.200 -0.104 0.000 1.057 278 S CB 0.592 63.742 63.200 -0.084 0.000 1.021 278 S HN 1.442 nan 8.310 nan 0.000 0.485 279 D N 3.204 123.552 120.400 -0.086 0.000 2.686 279 D HA -0.215 4.425 4.640 -0.000 0.000 0.235 279 D C -0.545 175.703 176.300 -0.085 0.000 1.160 279 D CA 0.749 54.707 54.000 -0.070 0.000 0.645 279 D CB -1.047 39.726 40.800 -0.045 0.000 1.039 279 D HN 0.472 nan 8.370 nan 0.000 0.423 280 N N 0.360 118.983 118.700 -0.128 0.000 2.415 280 N HA 0.413 5.153 4.740 -0.000 0.000 0.246 280 N C 0.256 175.680 175.510 -0.142 0.000 1.078 280 N CA 0.423 53.386 53.050 -0.146 0.000 0.942 280 N CB 0.713 39.073 38.487 -0.212 0.000 1.140 280 N HN 0.350 nan 8.380 nan 0.000 0.501 281 G N 2.924 111.672 108.800 -0.087 0.000 2.442 281 G HA2 0.367 4.327 3.960 -0.000 0.000 0.249 281 G HA3 0.367 4.327 3.960 -0.000 0.000 0.249 281 G C -0.150 174.715 174.900 -0.059 0.000 1.263 281 G CA -0.392 44.675 45.100 -0.055 0.000 0.846 281 G HN 0.611 nan 8.290 nan 0.000 0.555 282 L N 1.975 123.177 121.223 -0.037 0.000 2.280 282 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 282 L C 0.383 177.275 176.870 0.036 0.000 1.023 282 L CA -0.592 54.239 54.840 -0.015 0.000 0.819 282 L CB 1.635 43.684 42.059 -0.016 0.000 1.212 282 L HN 0.372 nan 8.230 nan 0.000 0.420 283 T N 1.353 115.934 114.554 0.046 0.000 2.817 283 T HA 0.236 4.586 4.350 -0.000 0.000 0.293 283 T C 0.519 175.258 174.700 0.064 0.000 0.964 283 T CA -0.507 61.632 62.100 0.064 0.000 1.085 283 T CB 0.953 69.857 68.868 0.059 0.000 0.921 283 T HN 0.664 nan 8.240 nan 0.000 0.502 284 T N 0.559 115.138 114.554 0.041 0.000 2.900 284 T HA 0.392 4.742 4.350 -0.000 0.000 0.307 284 T C 1.421 176.141 174.700 0.032 0.000 1.065 284 T CA -0.176 61.920 62.100 -0.006 0.000 1.105 284 T CB 0.279 69.069 68.868 -0.130 0.000 0.979 284 T HN 1.010 nan 8.240 nan 0.000 0.544 285 G N 1.050 109.861 108.800 0.018 0.000 2.341 285 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.292 285 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.292 285 G C -0.124 174.788 174.900 0.021 0.000 1.021 285 G CA 0.527 45.630 45.100 0.004 0.000 0.905 285 G HN 0.929 nan 8.290 nan 0.000 0.508 286 I N -1.007 119.603 120.570 0.067 0.000 3.006 286 I HA 0.235 4.404 4.170 -0.000 0.000 0.306 286 I C -0.972 175.277 176.117 0.221 0.000 1.250 286 I CA -1.095 60.266 61.300 0.101 0.000 0.996 286 I CB 1.915 39.965 38.000 0.083 0.000 1.261 286 I HN -0.097 nan 8.210 nan 0.000 0.442 287 D N 4.597 125.127 120.400 0.217 0.000 2.336 287 D HA 0.144 4.784 4.640 -0.000 0.000 0.249 287 D C -0.650 175.734 176.300 0.139 0.000 1.213 287 D CA 0.057 54.208 54.000 0.253 0.000 0.870 287 D CB 0.654 41.567 40.800 0.189 0.000 1.076 287 D HN 0.300 nan 8.370 nan 0.000 0.483 288 N N 2.902 121.680 118.700 0.129 0.000 2.419 288 N HA 0.215 4.955 4.740 -0.000 0.000 0.264 288 N C -0.168 175.398 175.510 0.093 0.000 1.031 288 N CA -0.298 52.806 53.050 0.090 0.000 0.951 288 N CB 1.802 40.337 38.487 0.081 0.000 1.101 288 N HN 0.259 nan 8.380 nan 0.000 0.488 289 L N 2.472 123.728 121.223 0.056 0.000 2.275 289 L HA 0.456 4.796 4.340 -0.000 0.000 0.288 289 L C 0.433 177.325 176.870 0.036 0.000 1.046 289 L CA -0.206 54.669 54.840 0.059 0.000 0.805 289 L CB 1.225 43.308 42.059 0.040 0.000 1.193 289 L HN 0.365 nan 8.230 nan 0.000 0.426 290 M N 7.105 126.753 119.600 0.080 0.000 2.065 290 M HA 0.383 4.863 4.480 -0.000 0.000 0.308 290 M C -2.577 173.725 176.300 0.005 0.000 0.939 290 M CA -1.643 53.654 55.300 -0.005 0.000 0.890 290 M CB 1.548 34.169 32.600 0.036 0.000 1.383 290 M HN 0.212 nan 8.290 nan 0.000 0.381 291 P HA 0.288 nan 4.420 nan 0.000 0.276 291 P C -1.384 175.868 177.300 -0.079 0.000 1.244 291 P CA -0.081 63.056 63.100 0.061 0.000 0.801 291 P CB 0.824 32.545 31.700 0.035 0.000 1.006 292 F N 1.103 121.062 119.950 0.015 0.000 2.467 292 F HA 0.382 4.909 4.527 -0.000 0.000 0.336 292 F C 0.982 176.790 175.800 0.013 0.000 1.123 292 F CA -0.294 57.715 58.000 0.015 0.000 0.964 292 F CB 1.284 40.300 39.000 0.027 0.000 1.136 292 F HN 0.182 nan 8.300 nan 0.000 0.447 293 N N 5.116 123.890 118.700 0.123 0.000 2.672 293 N HA 0.243 4.983 4.740 -0.000 0.000 0.295 293 N C -1.295 174.257 175.510 0.071 0.000 1.924 293 N CA -0.076 53.025 53.050 0.085 0.000 0.851 293 N CB 1.211 39.721 38.487 0.039 0.000 1.281 293 N HN 0.425 nan 8.380 nan 0.000 0.494 294 L N 0.700 121.984 121.223 0.101 0.000 2.309 294 L HA 0.613 4.953 4.340 -0.000 0.000 0.282 294 L C -0.063 176.853 176.870 0.076 0.000 1.036 294 L CA -0.911 53.976 54.840 0.077 0.000 0.806 294 L CB 1.903 44.019 42.059 0.094 0.000 1.220 294 L HN -0.197 nan 8.230 nan 0.000 0.429 295 V N 4.544 124.496 119.914 0.063 0.000 2.483 295 V HA 0.407 4.527 4.120 -0.000 0.000 0.297 295 V C -0.371 175.759 176.094 0.061 0.000 1.027 295 V CA -0.428 61.919 62.300 0.079 0.000 0.855 295 V CB 2.244 34.110 31.823 0.072 0.000 0.995 295 V HN 0.415 nan 8.190 nan 0.000 0.424 296 I N 7.720 128.332 120.570 0.070 0.000 2.359 296 I HA 0.403 4.573 4.170 -0.000 0.000 0.284 296 I C -2.153 174.000 176.117 0.060 0.000 1.018 296 I CA -3.003 58.327 61.300 0.050 0.000 1.173 296 I CB 1.419 39.443 38.000 0.040 0.000 1.326 296 I HN 0.387 nan 8.210 nan 0.000 0.462 297 P HA 0.173 nan 4.420 nan 0.000 0.274 297 P C 0.718 178.037 177.300 0.031 0.000 1.231 297 P CA -0.125 62.998 63.100 0.038 0.000 0.790 297 P CB 1.204 32.917 31.700 0.021 0.000 0.951 298 T N 1.097 115.670 114.554 0.032 0.000 2.665 298 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 298 T C 1.638 176.344 174.700 0.010 0.000 1.035 298 T CA 2.096 64.210 62.100 0.023 0.000 1.151 298 T CB -0.920 67.962 68.868 0.024 0.000 0.862 298 T HN 0.643 nan 8.240 nan 0.000 0.438 299 N N 1.392 120.098 118.700 0.009 0.000 2.519 299 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 299 N C 1.354 176.867 175.510 0.005 0.000 1.062 299 N CA 0.974 54.028 53.050 0.007 0.000 0.910 299 N CB -0.201 38.290 38.487 0.008 0.000 0.958 299 N HN 0.516 nan 8.380 nan 0.000 0.445 300 E N 0.139 120.341 120.200 0.004 0.000 2.385 300 E HA 0.188 4.538 4.350 -0.000 0.000 0.194 300 E C 0.145 176.740 176.600 -0.008 0.000 1.013 300 E CA -0.041 56.359 56.400 0.000 0.000 0.866 300 E CB 0.336 30.038 29.700 0.003 0.000 0.832 300 E HN 0.419 nan 8.360 nan 0.000 0.500 301 I N 2.292 122.855 120.570 -0.012 0.000 2.347 301 I HA -0.023 4.147 4.170 -0.000 0.000 0.294 301 I C 1.393 177.476 176.117 -0.057 0.000 1.090 301 I CA 0.002 61.283 61.300 -0.031 0.000 1.314 301 I CB 1.074 39.059 38.000 -0.024 0.000 1.423 301 I HN 0.014 nan 8.210 nan 0.000 0.503 302 T N 1.764 116.265 114.554 -0.087 0.000 3.081 302 T HA 0.077 4.427 4.350 -0.000 0.000 0.255 302 T C 0.424 174.938 174.700 -0.311 0.000 1.113 302 T CA 0.074 62.103 62.100 -0.118 0.000 1.082 302 T CB -0.025 68.800 68.868 -0.072 0.000 0.939 302 T HN 0.721 nan 8.240 nan 0.000 0.506 303 Q N -0.583 118.995 119.800 -0.370 0.000 2.578 303 Q HA 0.535 4.875 4.340 -0.000 0.000 0.284 303 Q C -3.512 172.361 176.000 -0.210 0.000 0.960 303 Q CA -2.411 53.037 55.803 -0.592 0.000 0.809 303 Q CB 0.684 28.654 28.738 -1.280 0.000 1.462 303 Q HN -0.123 nan 8.270 nan 0.000 0.392 304 P HA 0.002 nan 4.420 nan 0.000 0.264 304 P C -0.669 176.666 177.300 0.060 0.000 1.183 304 P CA 0.210 63.340 63.100 0.052 0.000 0.763 304 P CB 0.324 32.143 31.700 0.199 0.000 0.807 305 I N 3.291 123.888 120.570 0.044 0.000 2.371 305 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 305 I C 1.469 177.629 176.117 0.072 0.000 1.028 305 I CA 0.347 61.675 61.300 0.047 0.000 1.345 305 I CB 0.810 38.827 38.000 0.028 0.000 1.407 305 I HN 0.431 nan 8.210 nan 0.000 0.501 306 T N 0.338 114.939 114.554 0.079 0.000 3.004 306 T HA 0.219 4.569 4.350 -0.000 0.000 0.266 306 T C 0.438 175.156 174.700 0.031 0.000 0.986 306 T CA -0.060 62.092 62.100 0.087 0.000 0.902 306 T CB 0.193 69.160 68.868 0.165 0.000 1.118 306 T HN 0.622 nan 8.240 nan 0.000 0.522 307 S N 0.299 116.006 115.700 0.011 0.000 2.588 307 S HA 0.735 5.205 4.470 -0.000 0.000 0.269 307 S C -1.533 173.064 174.600 -0.005 0.000 1.157 307 S CA -1.032 57.160 58.200 -0.013 0.000 0.824 307 S CB 1.826 65.019 63.200 -0.011 0.000 1.126 307 S HN 0.438 nan 8.310 nan 0.000 0.464 308 I N 1.269 121.839 120.570 -0.000 0.000 2.582 308 I HA 0.697 4.867 4.170 -0.000 0.000 0.292 308 I C -1.573 174.539 176.117 -0.009 0.000 1.066 308 I CA -0.719 60.597 61.300 0.026 0.000 1.053 308 I CB 1.889 39.920 38.000 0.052 0.000 1.241 308 I HN 1.047 nan 8.210 nan 0.000 0.421 309 K N 6.338 126.692 120.400 -0.077 0.000 2.508 309 K HA 0.613 4.933 4.320 -0.000 0.000 0.260 309 K C -2.195 174.216 176.600 -0.315 0.000 0.949 309 K CA -0.929 55.165 56.287 -0.321 0.000 0.834 309 K CB 2.525 34.898 32.500 -0.212 0.000 1.365 309 K HN 0.437 nan 8.250 nan 0.000 0.437 310 L N 1.009 121.821 121.223 -0.685 0.000 2.333 310 L HA 0.469 4.809 4.340 -0.000 0.000 0.280 310 L C -1.130 175.664 176.870 -0.127 0.000 1.004 310 L CA -0.041 54.608 54.840 -0.319 0.000 0.820 310 L CB 1.806 43.660 42.059 -0.342 0.000 1.247 310 L HN 0.827 nan 8.230 nan 0.000 0.416 311 E N 4.987 125.229 120.200 0.069 0.000 2.183 311 E HA 0.565 4.915 4.350 -0.000 0.000 0.271 311 E C -1.276 175.372 176.600 0.079 0.000 0.919 311 E CA -0.559 55.895 56.400 0.089 0.000 0.781 311 E CB 1.979 31.801 29.700 0.202 0.000 1.140 311 E HN 0.568 nan 8.360 nan 0.000 0.402 312 I N 2.876 123.490 120.570 0.074 0.000 2.498 312 I HA 0.294 4.463 4.170 -0.000 0.000 0.290 312 I C -0.802 175.334 176.117 0.033 0.000 1.032 312 I CA -0.966 60.360 61.300 0.044 0.000 1.073 312 I CB 2.078 40.130 38.000 0.086 0.000 1.251 312 I HN 0.186 nan 8.210 nan 0.000 0.426 313 V N 5.026 124.935 119.914 -0.008 0.000 2.357 313 V HA 0.332 4.452 4.120 -0.000 0.000 0.284 313 V C -0.004 176.088 176.094 -0.003 0.000 1.018 313 V CA -0.286 62.018 62.300 0.006 0.000 0.841 313 V CB 1.768 33.593 31.823 0.005 0.000 0.991 313 V HN 0.730 nan 8.190 nan 0.000 0.437 314 T N 4.434 119.014 114.554 0.044 0.000 2.767 314 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 314 T C -0.062 174.720 174.700 0.135 0.000 0.963 314 T CA -0.427 61.743 62.100 0.116 0.000 1.019 314 T CB 1.135 70.131 68.868 0.212 0.000 0.923 314 T HN 0.795 nan 8.240 nan 0.000 0.468 315 S N 2.445 118.219 115.700 0.124 0.000 2.569 315 S HA 0.664 5.134 4.470 -0.000 0.000 0.280 315 S C -1.102 173.600 174.600 0.171 0.000 1.111 315 S CA -1.145 57.133 58.200 0.129 0.000 0.887 315 S CB 2.212 65.459 63.200 0.077 0.000 1.095 315 S HN 0.543 nan 8.310 nan 0.000 0.476 316 K N 1.490 122.036 120.400 0.243 0.000 2.579 316 K HA 0.347 4.667 4.320 -0.000 0.000 0.225 316 K C 0.878 177.601 176.600 0.205 0.000 0.992 316 K CA -0.248 56.175 56.287 0.228 0.000 1.018 316 K CB 1.345 34.001 32.500 0.261 0.000 1.249 316 K HN 0.690 nan 8.250 nan 0.000 0.489 317 S N 2.376 118.154 115.700 0.130 0.000 2.435 317 S HA -0.199 4.271 4.470 -0.000 0.000 0.250 317 S C 1.180 175.820 174.600 0.066 0.000 1.065 317 S CA 2.226 60.483 58.200 0.096 0.000 1.243 317 S CB -0.364 62.872 63.200 0.059 0.000 1.158 317 S HN 0.789 nan 8.310 nan 0.000 0.430 318 G N 1.224 110.038 108.800 0.024 0.000 3.541 318 G HA2 0.529 4.489 3.960 -0.000 0.000 0.253 318 G HA3 0.529 4.489 3.960 -0.000 0.000 0.253 318 G C 0.042 174.882 174.900 -0.100 0.000 1.017 318 G CA 0.116 45.202 45.100 -0.024 0.000 1.832 318 G HN 0.684 nan 8.290 nan 0.000 0.649 319 G N -0.248 108.423 108.800 -0.215 0.000 2.537 319 G HA2 0.673 4.633 3.960 -0.000 0.000 0.323 319 G HA3 0.673 4.633 3.960 -0.000 0.000 0.323 319 G C -0.519 173.850 174.900 -0.884 0.000 1.207 319 G CA -0.751 44.025 45.100 -0.541 0.000 0.976 319 G HN 0.611 nan 8.290 nan 0.000 0.487 320 Q N -0.908 118.355 119.800 -0.893 0.000 2.495 320 Q HA 0.707 5.047 4.340 -0.000 0.000 0.287 320 Q C -0.432 175.370 176.000 -0.331 0.000 1.078 320 Q CA -1.094 54.381 55.803 -0.547 0.000 0.793 320 Q CB 1.853 30.459 28.738 -0.220 0.000 1.459 320 Q HN 0.861 nan 8.270 nan 0.000 0.422 321 A N 0.151 122.994 122.820 0.038 0.000 2.561 321 A HA 0.436 4.755 4.320 -0.000 0.000 0.234 321 A C 1.172 178.805 177.584 0.081 0.000 1.055 321 A CA 1.258 53.410 52.037 0.191 0.000 0.756 321 A CB -0.862 18.219 19.000 0.136 0.000 0.986 321 A HN 1.576 nan 8.150 nan 0.000 0.505 322 G N 2.019 110.882 108.800 0.105 0.000 2.604 322 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.205 322 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.205 322 G C -0.053 174.874 174.900 0.044 0.000 1.186 322 G CA 0.355 45.485 45.100 0.051 0.000 0.753 322 G HN 1.265 nan 8.290 nan 0.000 0.526 323 D N 1.878 122.297 120.400 0.032 0.000 2.399 323 D HA 0.514 5.154 4.640 -0.000 0.000 0.241 323 D C 0.302 176.646 176.300 0.073 0.000 1.133 323 D CA -0.071 53.949 54.000 0.032 0.000 0.890 323 D CB 0.846 41.646 40.800 -0.001 0.000 1.201 323 D HN 0.495 nan 8.370 nan 0.000 0.432 324 Q N 0.562 120.389 119.800 0.045 0.000 2.261 324 Q HA 0.410 4.750 4.340 -0.000 0.000 0.252 324 Q C -0.907 175.124 176.000 0.051 0.000 0.915 324 Q CA -0.185 55.633 55.803 0.026 0.000 0.915 324 Q CB 1.098 29.825 28.738 -0.018 0.000 1.204 324 Q HN 0.510 nan 8.270 nan 0.000 0.421 325 M N 2.221 121.850 119.600 0.049 0.000 2.336 325 M HA 0.583 5.063 4.480 -0.000 0.000 0.342 325 M C -0.818 175.500 176.300 0.031 0.000 1.128 325 M CA -0.476 54.901 55.300 0.128 0.000 1.016 325 M CB 2.011 34.765 32.600 0.256 0.000 1.665 325 M HN 0.837 nan 8.290 nan 0.000 0.445 326 S N 2.348 118.124 115.700 0.126 0.000 2.578 326 S HA 0.802 5.271 4.470 -0.000 0.000 0.272 326 S C -2.068 172.673 174.600 0.235 0.000 1.145 326 S CA -0.991 57.217 58.200 0.013 0.000 0.835 326 S CB 1.603 64.739 63.200 -0.106 0.000 1.104 326 S HN 0.999 nan 8.310 nan 0.000 0.458 327 W N 0.046 121.550 121.300 0.339 0.000 2.982 327 W HA 0.678 5.338 4.660 -0.000 0.000 0.344 327 W C -1.414 175.247 176.519 0.236 0.000 1.215 327 W CA -0.485 57.028 57.345 0.281 0.000 1.182 327 W CB 0.617 30.277 29.460 0.332 0.000 1.437 327 W HN 1.239 nan 8.180 nan 0.000 0.570 328 S N 1.092 117.189 115.700 0.661 0.000 2.542 328 S HA 0.911 5.381 4.470 -0.000 0.000 0.293 328 S C -0.847 173.957 174.600 0.340 0.000 1.089 328 S CA -0.442 58.024 58.200 0.444 0.000 0.961 328 S CB 2.226 65.575 63.200 0.248 0.000 1.062 328 S HN 1.261 nan 8.310 nan 0.000 0.483 329 A N 1.296 124.239 122.820 0.206 0.000 2.469 329 A HA 0.936 5.256 4.320 -0.000 0.000 0.299 329 A C -0.473 177.019 177.584 -0.153 0.000 1.098 329 A CA -0.808 51.068 52.037 -0.268 0.000 0.737 329 A CB 1.869 20.468 19.000 -0.668 0.000 1.312 329 A HN 0.900 nan 8.150 nan 0.000 0.414 330 S N -1.233 114.299 115.700 -0.280 0.000 2.536 330 S HA 0.877 5.347 4.470 -0.000 0.000 0.271 330 S C -0.372 174.131 174.600 -0.161 0.000 1.134 330 S CA 0.149 58.261 58.200 -0.146 0.000 0.897 330 S CB 1.976 65.118 63.200 -0.097 0.000 1.094 330 S HN 2.295 nan 8.310 nan 0.000 0.473 331 G N 1.233 109.968 108.800 -0.108 0.000 2.340 331 G HA2 0.472 4.431 3.960 -0.000 0.000 0.300 331 G HA3 0.472 4.431 3.960 -0.000 0.000 0.300 331 G C -1.675 173.156 174.900 -0.116 0.000 1.488 331 G CA -0.560 44.483 45.100 -0.095 0.000 0.878 331 G HN 0.711 nan 8.290 nan 0.000 0.618 332 S N -0.788 114.840 115.700 -0.119 0.000 2.570 332 S HA 0.859 5.329 4.470 -0.000 0.000 0.286 332 S C -0.495 173.978 174.600 -0.211 0.000 1.099 332 S CA -0.746 57.355 58.200 -0.165 0.000 0.913 332 S CB 1.636 64.766 63.200 -0.117 0.000 1.085 332 S HN 0.653 nan 8.310 nan 0.000 0.480 333 L N 1.190 122.253 121.223 -0.266 0.000 2.354 333 L HA 0.899 5.238 4.340 -0.000 0.000 0.264 333 L C -0.550 176.220 176.870 -0.166 0.000 1.008 333 L CA -1.101 53.563 54.840 -0.293 0.000 0.819 333 L CB 1.921 43.715 42.059 -0.442 0.000 1.339 333 L HN 0.751 nan 8.230 nan 0.000 0.420 334 A N 1.772 124.527 122.820 -0.108 0.000 2.335 334 A HA 0.714 5.033 4.320 -0.000 0.000 0.304 334 A C -0.890 176.685 177.584 -0.015 0.000 1.118 334 A CA -0.457 51.554 52.037 -0.044 0.000 0.757 334 A CB 1.443 20.426 19.000 -0.029 0.000 1.188 334 A HN 0.353 nan 8.150 nan 0.000 0.460 335 V N 2.747 122.683 119.914 0.037 0.000 2.350 335 V HA 0.452 4.572 4.120 -0.000 0.000 0.276 335 V C 0.114 176.248 176.094 0.065 0.000 1.028 335 V CA -0.201 62.140 62.300 0.068 0.000 0.860 335 V CB 1.337 33.234 31.823 0.125 0.000 0.990 335 V HN 0.869 nan 8.190 nan 0.000 0.453 336 T N 6.500 121.034 114.554 -0.032 0.000 2.756 336 T HA 0.506 4.856 4.350 -0.000 0.000 0.290 336 T C -0.155 174.398 174.700 -0.245 0.000 0.985 336 T CA -0.303 61.722 62.100 -0.125 0.000 0.955 336 T CB 0.663 69.433 68.868 -0.163 0.000 0.930 336 T HN 0.308 nan 8.240 nan 0.000 0.451 337 I N 4.394 124.880 120.570 -0.140 0.000 2.291 337 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 337 I C 0.723 176.764 176.117 -0.127 0.000 1.064 337 I CA -0.868 60.362 61.300 -0.116 0.000 1.269 337 I CB -0.182 37.831 38.000 0.022 0.000 1.418 337 I HN 0.568 nan 8.210 nan 0.000 0.485 338 H N 5.437 124.529 119.070 0.036 0.000 3.107 338 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 338 H C 1.496 176.835 175.328 0.018 0.000 0.981 338 H CA 1.034 57.096 56.048 0.023 0.000 1.443 338 H CB 0.317 30.090 29.762 0.018 0.000 1.479 338 H HN 0.944 nan 8.280 nan 0.000 0.564 339 G N 2.873 111.749 108.800 0.127 0.000 2.166 339 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 339 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 339 G C 1.575 176.523 174.900 0.079 0.000 0.986 339 G CA 0.800 45.949 45.100 0.083 0.000 0.683 339 G HN 0.859 nan 8.290 nan 0.000 0.527 340 G N 0.339 109.173 108.800 0.055 0.000 2.442 340 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 340 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 340 G C 1.289 176.211 174.900 0.038 0.000 1.141 340 G CA 1.324 46.449 45.100 0.042 0.000 0.763 340 G HN 0.527 nan 8.290 nan 0.000 0.554 341 N N -0.709 118.005 118.700 0.023 0.000 2.383 341 N HA 0.062 4.802 4.740 -0.000 0.000 0.192 341 N C -0.309 175.220 175.510 0.032 0.000 1.141 341 N CA -0.424 52.627 53.050 0.002 0.000 0.851 341 N CB -0.134 38.330 38.487 -0.039 0.000 0.976 341 N HN 0.459 nan 8.380 nan 0.000 0.465 342 Y N 2.609 122.883 120.300 -0.043 0.000 2.496 342 Y HA 0.176 4.726 4.550 -0.000 0.000 0.334 342 Y C -2.142 173.723 175.900 -0.059 0.000 1.080 342 Y CA -2.119 55.951 58.100 -0.051 0.000 1.355 342 Y CB 0.518 38.938 38.460 -0.066 0.000 1.193 342 Y HN -0.001 nan 8.280 nan 0.000 0.523 343 P HA 0.056 nan 4.420 nan 0.000 0.258 343 P C 0.520 177.742 177.300 -0.131 0.000 1.172 343 P CA 2.090 65.018 63.100 -0.286 0.000 0.762 343 P CB 0.373 31.852 31.700 -0.369 0.000 0.764 344 G N 3.114 111.926 108.800 0.019 0.000 2.254 344 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.225 344 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.225 344 G C 1.153 176.153 174.900 0.168 0.000 1.003 344 G CA 0.310 45.479 45.100 0.116 0.000 0.622 344 G HN 0.635 nan 8.290 nan 0.000 0.507 345 A N -0.368 122.542 122.820 0.149 0.000 1.968 345 A HA 0.599 4.919 4.320 -0.000 0.000 0.217 345 A C 2.219 179.900 177.584 0.162 0.000 1.169 345 A CA 1.929 54.017 52.037 0.084 0.000 0.638 345 A CB -0.152 18.881 19.000 0.054 0.000 0.812 345 A HN 0.851 nan 8.150 nan 0.000 0.446 346 L N -2.384 118.925 121.223 0.143 0.000 2.885 346 L HA 0.209 4.549 4.340 -0.000 0.000 0.251 346 L C 0.598 177.589 176.870 0.202 0.000 1.071 346 L CA -0.071 54.855 54.840 0.143 0.000 0.956 346 L CB 0.381 42.507 42.059 0.111 0.000 1.483 346 L HN 0.439 nan 8.230 nan 0.000 0.525 347 R N 0.540 121.123 120.500 0.138 0.000 2.807 347 R HA 0.599 4.939 4.340 -0.000 0.000 0.276 347 R C -2.929 173.419 176.300 0.079 0.000 0.979 347 R CA -1.739 54.418 56.100 0.095 0.000 0.928 347 R CB 1.263 31.556 30.300 -0.010 0.000 1.191 347 R HN -0.280 nan 8.270 nan 0.000 0.471 348 P HA 0.236 nan 4.420 nan 0.000 0.293 348 P C -0.862 176.535 177.300 0.162 0.000 1.304 348 P CA -0.599 62.527 63.100 0.043 0.000 0.767 348 P CB 0.996 32.689 31.700 -0.011 0.000 1.247 349 V N -0.475 119.544 119.914 0.175 0.000 2.709 349 V HA 0.361 4.481 4.120 -0.000 0.000 0.308 349 V C -0.158 176.016 176.094 0.132 0.000 1.062 349 V CA -0.291 62.117 62.300 0.179 0.000 0.901 349 V CB 2.144 34.093 31.823 0.210 0.000 1.003 349 V HN 0.535 nan 8.190 nan 0.000 0.425 350 T N 6.265 120.872 114.554 0.089 0.000 2.770 350 T HA 0.561 4.911 4.350 -0.000 0.000 0.283 350 T C -0.737 174.010 174.700 0.078 0.000 0.988 350 T CA -0.411 61.747 62.100 0.096 0.000 0.957 350 T CB 0.766 69.697 68.868 0.104 0.000 0.930 350 T HN 0.201 nan 8.240 nan 0.000 0.443 351 L N 3.980 125.222 121.223 0.033 0.000 2.295 351 L HA 0.587 4.927 4.340 -0.000 0.000 0.285 351 L C -0.222 176.673 176.870 0.042 0.000 1.035 351 L CA -0.751 54.078 54.840 -0.019 0.000 0.806 351 L CB 1.434 43.447 42.059 -0.078 0.000 1.214 351 L HN 0.386 nan 8.230 nan 0.000 0.426 352 V N 2.912 122.870 119.914 0.073 0.000 2.326 352 V HA 0.649 4.769 4.120 -0.000 0.000 0.281 352 V C 0.359 176.550 176.094 0.161 0.000 1.015 352 V CA -0.637 61.747 62.300 0.140 0.000 0.823 352 V CB 1.491 33.457 31.823 0.238 0.000 1.009 352 V HN 0.902 nan 8.190 nan 0.000 0.436 353 A N 5.521 128.433 122.820 0.154 0.000 2.312 353 A HA 0.942 5.261 4.320 -0.000 0.000 0.326 353 A C -0.944 176.887 177.584 0.412 0.000 1.172 353 A CA -0.471 51.692 52.037 0.209 0.000 0.821 353 A CB 0.946 20.057 19.000 0.185 0.000 1.166 353 A HN 0.995 nan 8.150 nan 0.000 0.493 354 Y N -0.380 120.110 120.300 0.317 0.000 2.536 354 Y HA 0.779 5.329 4.550 -0.000 0.000 0.347 354 Y C -0.407 175.515 175.900 0.037 0.000 1.000 354 Y CA -1.004 57.228 58.100 0.220 0.000 1.051 354 Y CB 1.376 39.919 38.460 0.138 0.000 1.259 354 Y HN 0.848 nan 8.280 nan 0.000 0.468 355 E N 0.585 120.744 120.200 -0.068 0.000 2.413 355 E HA 0.628 4.978 4.350 -0.000 0.000 0.277 355 E C -0.906 175.628 176.600 -0.109 0.000 0.958 355 E CA -1.494 54.774 56.400 -0.219 0.000 0.779 355 E CB 1.915 31.267 29.700 -0.580 0.000 1.278 355 E HN 0.711 nan 8.360 nan 0.000 0.456 356 R N -0.486 119.973 120.500 -0.069 0.000 3.776 356 R HA -0.119 4.221 4.340 -0.000 0.000 0.312 356 R C -0.753 175.555 176.300 0.013 0.000 1.181 356 R CA 0.769 56.847 56.100 -0.036 0.000 0.836 356 R CB -2.218 28.042 30.300 -0.066 0.000 1.324 356 R HN 0.386 nan 8.270 nan 0.000 0.501 357 V N 0.952 120.908 119.914 0.070 0.000 2.509 357 V HA 0.528 4.648 4.120 -0.000 0.000 0.284 357 V C 1.223 177.347 176.094 0.050 0.000 1.047 357 V CA -0.206 62.134 62.300 0.067 0.000 0.952 357 V CB 1.602 33.484 31.823 0.099 0.000 0.988 357 V HN 0.364 nan 8.190 nan 0.000 0.469 358 A N 3.820 126.656 122.820 0.026 0.000 2.567 358 A HA 0.284 4.604 4.320 -0.000 0.000 0.240 358 A C 0.777 178.381 177.584 0.033 0.000 1.053 358 A CA 0.169 52.220 52.037 0.024 0.000 0.755 358 A CB -0.369 18.641 19.000 0.016 0.000 0.978 358 A HN 0.863 nan 8.150 nan 0.000 0.507 359 T N 1.788 116.362 114.554 0.034 0.000 2.940 359 T HA 0.425 4.774 4.350 -0.000 0.000 0.309 359 T C 1.588 176.307 174.700 0.031 0.000 1.056 359 T CA 1.364 63.487 62.100 0.039 0.000 1.137 359 T CB 0.651 69.539 68.868 0.033 0.000 0.976 359 T HN 2.057 nan 8.240 nan 0.000 0.547 360 G N 2.313 111.134 108.800 0.034 0.000 2.179 360 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.260 360 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.260 360 G C 0.412 175.321 174.900 0.016 0.000 0.977 360 G CA 0.223 45.338 45.100 0.025 0.000 0.641 360 G HN 1.066 nan 8.290 nan 0.000 0.533 361 S N -1.007 114.700 115.700 0.011 0.000 2.634 361 S HA 0.669 5.138 4.470 -0.000 0.000 0.261 361 S C 0.163 174.749 174.600 -0.023 0.000 1.271 361 S CA -0.210 57.986 58.200 -0.006 0.000 0.985 361 S CB 2.383 65.575 63.200 -0.014 0.000 0.968 361 S HN 0.944 nan 8.310 nan 0.000 0.568 362 V N 1.467 121.359 119.914 -0.037 0.000 2.357 362 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 362 V C -0.426 175.613 176.094 -0.092 0.000 1.018 362 V CA -0.740 61.529 62.300 -0.052 0.000 0.841 362 V CB 1.359 33.163 31.823 -0.031 0.000 0.991 362 V HN 0.738 nan 8.190 nan 0.000 0.437 363 V N 4.651 124.474 119.914 -0.152 0.000 2.364 363 V HA 0.299 4.419 4.120 -0.000 0.000 0.272 363 V C 0.543 176.557 176.094 -0.134 0.000 1.036 363 V CA -0.044 62.131 62.300 -0.208 0.000 0.880 363 V CB 1.693 33.264 31.823 -0.419 0.000 0.991 363 V HN 0.947 nan 8.190 nan 0.000 0.460 364 T N 5.395 119.904 114.554 -0.075 0.000 2.771 364 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 364 T C -0.172 174.534 174.700 0.009 0.000 0.954 364 T CA -0.201 61.884 62.100 -0.025 0.000 1.045 364 T CB 1.344 70.202 68.868 -0.016 0.000 0.917 364 T HN 0.331 nan 8.240 nan 0.000 0.484 365 V N 2.806 122.756 119.914 0.060 0.000 2.459 365 V HA 0.820 4.940 4.120 -0.000 0.000 0.295 365 V C -0.080 176.085 176.094 0.119 0.000 1.029 365 V CA -0.730 61.643 62.300 0.123 0.000 0.874 365 V CB 1.396 33.345 31.823 0.210 0.000 0.985 365 V HN 1.063 nan 8.190 nan 0.000 0.438 366 A N 3.547 126.416 122.820 0.082 0.000 2.429 366 A HA 0.943 5.263 4.320 -0.000 0.000 0.289 366 A C -0.200 177.398 177.584 0.024 0.000 1.043 366 A CA 0.145 52.213 52.037 0.051 0.000 0.722 366 A CB 1.703 20.717 19.000 0.022 0.000 1.243 366 A HN 1.242 nan 8.150 nan 0.000 0.415 367 G N -0.302 108.518 108.800 0.033 0.000 2.663 367 G HA2 0.670 4.630 3.960 -0.000 0.000 0.299 367 G HA3 0.670 4.630 3.960 -0.000 0.000 0.299 367 G C -1.746 173.160 174.900 0.010 0.000 1.372 367 G CA -0.418 44.678 45.100 -0.007 0.000 0.781 367 G HN 1.233 nan 8.290 nan 0.000 0.491 368 V N -0.140 119.763 119.914 -0.018 0.000 2.789 368 V HA 0.755 4.875 4.120 -0.000 0.000 0.311 368 V C -0.318 175.749 176.094 -0.044 0.000 1.073 368 V CA -0.729 61.567 62.300 -0.007 0.000 0.921 368 V CB 2.000 33.813 31.823 -0.016 0.000 1.009 368 V HN 0.766 nan 8.190 nan 0.000 0.426 369 S N 3.240 118.916 115.700 -0.040 0.000 2.500 369 S HA 0.584 5.054 4.470 -0.000 0.000 0.301 369 S C -0.772 173.610 174.600 -0.364 0.000 1.092 369 S CA -0.779 57.295 58.200 -0.211 0.000 1.030 369 S CB 1.279 64.433 63.200 -0.078 0.000 1.031 369 S HN 0.749 nan 8.310 nan 0.000 0.483 370 N N 1.764 120.132 118.700 -0.552 0.000 2.342 370 N HA 0.639 5.378 4.740 -0.000 0.000 0.293 370 N C -1.466 173.674 175.510 -0.616 0.000 1.026 370 N CA -0.205 52.612 53.050 -0.388 0.000 0.857 370 N CB 1.311 39.706 38.487 -0.153 0.000 1.256 370 N HN 0.399 nan 8.380 nan 0.000 0.484 371 F N -0.163 119.800 119.950 0.023 0.000 2.613 371 F HA 0.395 4.922 4.527 -0.000 0.000 0.314 371 F C 0.454 176.262 175.800 0.014 0.000 1.075 371 F CA -0.883 57.115 58.000 -0.004 0.000 0.945 371 F CB 1.768 40.736 39.000 -0.054 0.000 1.310 371 F HN 0.120 nan 8.300 nan 0.000 0.467 372 E N 2.207 122.529 120.200 0.204 0.000 2.151 372 E HA 0.679 5.029 4.350 -0.000 0.000 0.275 372 E C -1.282 175.455 176.600 0.228 0.000 0.936 372 E CA -0.544 55.964 56.400 0.180 0.000 0.777 372 E CB 2.059 31.678 29.700 -0.134 0.000 1.108 372 E HN 0.411 nan 8.360 nan 0.000 0.401 373 L N 3.068 124.459 121.223 0.279 0.000 2.376 373 L HA 0.594 4.934 4.340 -0.000 0.000 0.258 373 L C -0.673 176.393 176.870 0.327 0.000 1.013 373 L CA -0.877 54.081 54.840 0.196 0.000 0.822 373 L CB 1.973 43.862 42.059 -0.283 0.000 1.388 373 L HN 0.430 nan 8.230 nan 0.000 0.413 374 I N 2.318 123.106 120.570 0.362 0.000 2.410 374 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 374 I C -2.320 174.030 176.117 0.389 0.000 1.009 374 I CA -1.986 59.499 61.300 0.307 0.000 1.111 374 I CB 2.045 40.190 38.000 0.241 0.000 1.262 374 I HN 0.227 nan 8.210 nan 0.000 0.443 375 P HA 0.027 nan 4.420 nan 0.000 0.268 375 P C -0.916 176.400 177.300 0.026 0.000 1.208 375 P CA -0.251 62.913 63.100 0.107 0.000 0.777 375 P CB 0.286 31.997 31.700 0.018 0.000 0.875 376 N N 2.542 121.187 118.700 -0.091 0.000 2.294 376 N HA 0.109 4.849 4.740 -0.000 0.000 0.248 376 N C -1.979 173.506 175.510 -0.043 0.000 1.300 376 N CA -1.506 51.513 53.050 -0.052 0.000 0.925 376 N CB -1.500 36.936 38.487 -0.085 0.000 1.188 376 N HN 0.158 nan 8.380 nan 0.000 0.512 377 P HA -0.141 nan 4.420 nan 0.000 0.215 377 P C 0.999 178.279 177.300 -0.034 0.000 1.153 377 P CA 1.448 64.535 63.100 -0.022 0.000 0.853 377 P CB 0.159 31.850 31.700 -0.015 0.000 0.788 378 E N -0.799 119.372 120.200 -0.048 0.000 2.072 378 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 378 E C 1.762 178.326 176.600 -0.059 0.000 0.985 378 E CA 0.784 57.155 56.400 -0.049 0.000 0.801 378 E CB -1.075 28.594 29.700 -0.051 0.000 0.750 378 E HN 0.008 nan 8.360 nan 0.000 0.452 379 L N -0.110 121.058 121.223 -0.091 0.000 2.217 379 L HA 0.123 4.463 4.340 -0.000 0.000 0.211 379 L C 1.980 178.811 176.870 -0.064 0.000 1.107 379 L CA 1.527 56.303 54.840 -0.107 0.000 0.783 379 L CB -0.695 41.233 42.059 -0.218 0.000 0.919 379 L HN 0.168 nan 8.230 nan 0.000 0.442 380 A N -0.827 121.965 122.820 -0.047 0.000 2.070 380 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 380 A C 2.198 179.772 177.584 -0.016 0.000 1.159 380 A CA 1.495 53.521 52.037 -0.018 0.000 0.656 380 A CB -0.483 18.512 19.000 -0.009 0.000 0.800 380 A HN 0.485 nan 8.150 nan 0.000 0.453 381 K N -0.580 119.807 120.400 -0.021 0.000 2.283 381 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 381 K C 0.490 177.083 176.600 -0.013 0.000 1.048 381 K CA 1.034 57.311 56.287 -0.016 0.000 0.948 381 K CB -0.010 32.480 32.500 -0.017 0.000 0.742 381 K HN 0.405 nan 8.250 nan 0.000 0.458 382 N N -0.102 118.590 118.700 -0.014 0.000 2.143 382 N HA 0.117 4.857 4.740 -0.000 0.000 0.222 382 N C -0.696 174.814 175.510 0.001 0.000 1.264 382 N CA 0.030 53.076 53.050 -0.007 0.000 0.897 382 N CB 1.158 39.639 38.487 -0.010 0.000 1.092 382 N HN 0.024 nan 8.380 nan 0.000 0.516 383 L N 1.853 123.078 121.223 0.003 0.000 2.294 383 L HA 0.404 4.744 4.340 -0.000 0.000 0.283 383 L C -0.398 176.483 176.870 0.019 0.000 1.015 383 L CA -0.560 54.294 54.840 0.023 0.000 0.831 383 L CB 1.980 44.063 42.059 0.040 0.000 1.217 383 L HN -0.286 nan 8.230 nan 0.000 0.420 384 V N 2.481 122.402 119.914 0.013 0.000 2.715 384 V HA 0.317 4.437 4.120 -0.000 0.000 0.299 384 V C 0.591 176.675 176.094 -0.016 0.000 1.054 384 V CA -0.223 62.074 62.300 -0.005 0.000 1.077 384 V CB 1.344 33.163 31.823 -0.006 0.000 0.972 384 V HN 0.846 nan 8.190 nan 0.000 0.484 385 T N 1.901 116.426 114.554 -0.047 0.000 2.887 385 T HA 0.790 5.140 4.350 -0.000 0.000 0.288 385 T C -0.809 173.794 174.700 -0.161 0.000 1.021 385 T CA -0.888 61.156 62.100 -0.094 0.000 1.000 385 T CB 2.377 71.195 68.868 -0.082 0.000 1.034 385 T HN 0.707 nan 8.240 nan 0.000 0.467 386 E N 0.591 120.641 120.200 -0.251 0.000 2.456 386 E HA 0.273 4.622 4.350 -0.000 0.000 0.276 386 E C -0.399 175.997 176.600 -0.340 0.000 0.981 386 E CA -0.919 55.332 56.400 -0.247 0.000 0.814 386 E CB 1.405 31.033 29.700 -0.121 0.000 1.382 386 E HN 0.664 nan 8.360 nan 0.000 0.459 387 Y N 0.802 121.073 120.300 -0.049 0.000 2.395 387 Y HA 0.140 4.690 4.550 -0.000 0.000 0.293 387 Y C 1.224 177.174 175.900 0.083 0.000 1.123 387 Y CA 1.410 59.534 58.100 0.040 0.000 1.227 387 Y CB 0.558 39.046 38.460 0.047 0.000 1.012 387 Y HN 0.796 nan 8.280 nan 0.000 0.552 388 G N 1.027 109.918 108.800 0.153 0.000 3.055 388 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 388 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 388 G C -0.683 174.329 174.900 0.186 0.000 1.087 388 G CA -0.781 44.415 45.100 0.160 0.000 0.779 388 G HN 0.261 nan 8.290 nan 0.000 0.599 389 R N 0.505 121.090 120.500 0.142 0.000 2.474 389 R HA 0.083 4.423 4.340 -0.000 0.000 0.290 389 R C 0.474 176.880 176.300 0.177 0.000 0.918 389 R CA 0.023 56.205 56.100 0.137 0.000 1.130 389 R CB -0.020 30.332 30.300 0.087 0.000 0.881 389 R HN 0.746 nan 8.270 nan 0.000 0.416 390 F N 4.416 124.388 119.950 0.036 0.000 2.467 390 F HA 0.164 4.691 4.527 -0.000 0.000 0.362 390 F C -0.314 175.496 175.800 0.017 0.000 1.090 390 F CA -0.733 57.280 58.000 0.020 0.000 1.202 390 F CB 0.838 39.842 39.000 0.007 0.000 1.113 390 F HN 0.467 nan 8.300 nan 0.000 0.541 391 D N 9.097 129.101 120.400 -0.661 0.000 2.363 391 D HA 0.238 4.878 4.640 -0.000 0.000 0.258 391 D C -1.647 174.219 176.300 -0.723 0.000 1.259 391 D CA -1.745 51.892 54.000 -0.605 0.000 0.921 391 D CB 1.365 42.035 40.800 -0.216 0.000 1.201 391 D HN 0.266 nan 8.370 nan 0.000 0.524 392 P HA -0.154 nan 4.420 nan 0.000 0.219 392 P C 1.048 178.252 177.300 -0.161 0.000 1.158 392 P CA 1.325 64.103 63.100 -0.536 0.000 0.895 392 P CB 0.334 31.829 31.700 -0.342 0.000 0.792 393 G N -1.775 106.936 108.800 -0.149 0.000 3.393 393 G HA2 0.331 4.291 3.960 -0.000 0.000 0.255 393 G HA3 0.331 4.291 3.960 -0.000 0.000 0.255 393 G C 1.503 176.415 174.900 0.020 0.000 1.097 393 G CA 0.529 45.605 45.100 -0.039 0.000 0.780 393 G HN 0.389 nan 8.290 nan 0.000 0.540 394 A N 0.832 123.644 122.820 -0.013 0.000 1.902 394 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 394 A C 2.166 179.824 177.584 0.123 0.000 1.181 394 A CA 2.056 54.140 52.037 0.078 0.000 0.623 394 A CB -0.227 18.793 19.000 0.033 0.000 0.818 394 A HN 0.410 nan 8.150 nan 0.000 0.443 395 M N 0.237 119.858 119.600 0.036 0.000 2.132 395 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 395 M C 1.458 177.813 176.300 0.093 0.000 1.065 395 M CA 1.674 56.989 55.300 0.025 0.000 1.122 395 M CB -0.723 31.864 32.600 -0.022 0.000 1.365 395 M HN 0.365 nan 8.290 nan 0.000 0.411 396 N N -0.834 117.928 118.700 0.103 0.000 2.166 396 N HA -0.189 4.550 4.740 -0.000 0.000 0.186 396 N C 1.691 177.298 175.510 0.161 0.000 1.019 396 N CA 1.381 54.499 53.050 0.114 0.000 0.856 396 N CB -0.614 37.935 38.487 0.104 0.000 0.993 396 N HN 0.498 nan 8.380 nan 0.000 0.426 397 Y N 1.812 122.145 120.300 0.055 0.000 2.242 397 Y HA -0.118 4.432 4.550 -0.000 0.000 0.291 397 Y C 2.274 178.237 175.900 0.104 0.000 1.137 397 Y CA 1.331 59.474 58.100 0.071 0.000 1.181 397 Y CB -0.534 37.967 38.460 0.068 0.000 0.989 397 Y HN 0.020 nan 8.280 nan 0.000 0.527 398 T N -0.008 114.644 114.554 0.164 0.000 2.737 398 T HA -0.170 4.180 4.350 -0.000 0.000 0.265 398 T C 1.834 176.582 174.700 0.081 0.000 1.038 398 T CA 1.787 63.974 62.100 0.145 0.000 1.144 398 T CB -0.155 68.883 68.868 0.284 0.000 0.866 398 T HN 0.240 nan 8.240 nan 0.000 0.434 399 K N 0.526 120.979 120.400 0.088 0.000 2.097 399 K HA -0.012 4.307 4.320 -0.000 0.000 0.206 399 K C 2.208 178.812 176.600 0.007 0.000 1.049 399 K CA 0.870 57.194 56.287 0.063 0.000 0.933 399 K CB -0.343 32.197 32.500 0.067 0.000 0.717 399 K HN 0.159 nan 8.250 nan 0.000 0.442 400 L N 1.252 122.457 121.223 -0.029 0.000 2.017 400 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 400 L C 1.897 178.699 176.870 -0.112 0.000 1.073 400 L CA 1.542 56.342 54.840 -0.068 0.000 0.745 400 L CB -0.282 41.728 42.059 -0.081 0.000 0.894 400 L HN 0.076 nan 8.230 nan 0.000 0.432 401 I N -0.222 120.231 120.570 -0.195 0.000 2.127 401 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 401 I C 2.610 178.691 176.117 -0.059 0.000 1.075 401 I CA 1.659 62.864 61.300 -0.157 0.000 1.334 401 I CB -1.303 36.590 38.000 -0.179 0.000 1.040 401 I HN 0.339 nan 8.210 nan 0.000 0.405 402 L N 0.753 121.960 121.223 -0.026 0.000 2.131 402 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 402 L C 2.754 179.611 176.870 -0.022 0.000 1.092 402 L CA 1.646 56.480 54.840 -0.010 0.000 0.759 402 L CB -0.671 41.399 42.059 0.018 0.000 0.903 402 L HN 0.368 nan 8.230 nan 0.000 0.435 403 S N -0.833 114.854 115.700 -0.021 0.000 2.428 403 S HA -0.114 4.356 4.470 -0.000 0.000 0.230 403 S C 1.488 176.073 174.600 -0.025 0.000 1.014 403 S CA 0.709 58.897 58.200 -0.021 0.000 0.957 403 S CB -0.103 63.089 63.200 -0.013 0.000 0.784 403 S HN 0.382 nan 8.310 nan 0.000 0.499 404 E N 0.979 121.161 120.200 -0.030 0.000 2.419 404 E HA 0.179 4.529 4.350 -0.000 0.000 0.190 404 E C 1.580 178.164 176.600 -0.028 0.000 1.040 404 E CA -0.251 56.133 56.400 -0.026 0.000 0.900 404 E CB -0.123 29.561 29.700 -0.027 0.000 1.054 404 E HN 0.568 nan 8.360 nan 0.000 0.462 405 R N 1.389 121.868 120.500 -0.035 0.000 2.113 405 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 405 R C 1.084 177.346 176.300 -0.062 0.000 1.142 405 R CA 1.843 57.914 56.100 -0.048 0.000 0.953 405 R CB 0.247 30.511 30.300 -0.059 0.000 0.860 405 R HN 0.036 nan 8.270 nan 0.000 0.438 406 E N -0.437 119.729 120.200 -0.056 0.000 2.072 406 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 406 E C 2.079 178.654 176.600 -0.042 0.000 0.982 406 E CA 1.077 57.441 56.400 -0.060 0.000 0.803 406 E CB -0.158 29.512 29.700 -0.051 0.000 0.755 406 E HN 0.277 nan 8.360 nan 0.000 0.453 407 R N 0.244 120.730 120.500 -0.024 0.000 2.075 407 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 407 R C 1.822 178.123 176.300 0.003 0.000 1.126 407 R CA 0.939 57.035 56.100 -0.007 0.000 0.963 407 R CB -0.092 30.207 30.300 -0.002 0.000 0.858 407 R HN 0.189 nan 8.270 nan 0.000 0.435 408 L N -0.500 120.724 121.223 0.001 0.000 2.492 408 L HA 0.173 4.513 4.340 -0.000 0.000 0.223 408 L C 1.089 177.981 176.870 0.036 0.000 1.132 408 L CA 0.531 55.389 54.840 0.030 0.000 0.850 408 L CB 0.062 42.152 42.059 0.051 0.000 0.966 408 L HN 0.538 nan 8.230 nan 0.000 0.454 409 G N 1.395 110.171 108.800 -0.040 0.000 2.221 409 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.265 409 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.265 409 G C 0.130 174.857 174.900 -0.289 0.000 1.041 409 G CA -0.179 44.842 45.100 -0.132 0.000 0.807 409 G HN 0.327 nan 8.290 nan 0.000 0.502 410 I N 0.759 121.197 120.570 -0.220 0.000 2.347 410 I HA 0.205 4.375 4.170 -0.000 0.000 0.294 410 I C 0.922 176.803 176.117 -0.395 0.000 1.090 410 I CA 0.091 61.235 61.300 -0.260 0.000 1.314 410 I CB 0.419 38.377 38.000 -0.070 0.000 1.423 410 I HN 0.092 nan 8.210 nan 0.000 0.503 411 K N 3.581 123.488 120.400 -0.822 0.000 2.106 411 K HA 0.407 4.727 4.320 -0.000 0.000 0.246 411 K C 0.993 177.346 176.600 -0.411 0.000 0.987 411 K CA -0.597 55.192 56.287 -0.831 0.000 0.904 411 K CB 1.192 32.801 32.500 -1.484 0.000 1.071 411 K HN 0.557 nan 8.250 nan 0.000 0.453 412 T N -3.172 111.216 114.554 -0.277 0.000 3.037 412 T HA 0.082 4.432 4.350 -0.000 0.000 0.251 412 T C 0.606 175.275 174.700 -0.050 0.000 1.079 412 T CA -0.224 61.821 62.100 -0.092 0.000 1.067 412 T CB -0.121 68.701 68.868 -0.076 0.000 0.948 412 T HN 0.384 nan 8.240 nan 0.000 0.496 413 V N -1.707 118.113 119.914 -0.156 0.000 2.577 413 V HA 0.843 4.963 4.120 -0.000 0.000 0.303 413 V C -1.973 174.056 176.094 -0.108 0.000 1.042 413 V CA -1.645 60.630 62.300 -0.042 0.000 0.872 413 V CB 1.124 32.921 31.823 -0.043 0.000 0.998 413 V HN 0.343 nan 8.190 nan 0.000 0.423 414 W N 3.530 124.760 121.300 -0.117 0.000 2.950 414 W HA 0.766 5.426 4.660 -0.000 0.000 0.340 414 W C -2.753 173.755 176.519 -0.019 0.000 1.139 414 W CA -2.419 54.887 57.345 -0.066 0.000 1.188 414 W CB 1.680 31.104 29.460 -0.060 0.000 1.426 414 W HN 0.340 nan 8.180 nan 0.000 0.531 415 P HA 0.103 nan 4.420 nan 0.000 0.281 415 P C 0.710 178.149 177.300 0.232 0.000 1.252 415 P CA 0.175 63.387 63.100 0.188 0.000 0.778 415 P CB 1.264 33.056 31.700 0.154 0.000 0.895 416 T N 2.775 117.425 114.554 0.161 0.000 2.737 416 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 416 T C 1.768 176.566 174.700 0.162 0.000 1.040 416 T CA 1.483 63.672 62.100 0.150 0.000 1.142 416 T CB -0.268 68.655 68.868 0.091 0.000 0.861 416 T HN 0.467 nan 8.240 nan 0.000 0.456 417 R N 0.702 121.284 120.500 0.137 0.000 2.096 417 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 417 R C 2.548 178.939 176.300 0.150 0.000 1.127 417 R CA 1.335 57.505 56.100 0.117 0.000 0.968 417 R CB -0.137 30.221 30.300 0.096 0.000 0.861 417 R HN 0.545 nan 8.270 nan 0.000 0.440 418 E N -0.576 119.758 120.200 0.222 0.000 2.106 418 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 418 E C 1.631 178.438 176.600 0.345 0.000 0.984 418 E CA 0.956 57.539 56.400 0.305 0.000 0.806 418 E CB -0.099 29.832 29.700 0.384 0.000 0.750 418 E HN 0.347 nan 8.360 nan 0.000 0.458 419 Y N 1.760 122.117 120.300 0.096 0.000 2.242 419 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 419 Y C 2.326 178.127 175.900 -0.165 0.000 1.137 419 Y CA 1.573 59.438 58.100 -0.391 0.000 1.181 419 Y CB -0.343 37.701 38.460 -0.694 0.000 0.989 419 Y HN -0.118 nan 8.280 nan 0.000 0.527 420 T N 0.282 114.776 114.554 -0.101 0.000 2.746 420 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 420 T C 1.357 176.003 174.700 -0.089 0.000 1.039 420 T CA 1.642 63.655 62.100 -0.144 0.000 1.142 420 T CB -0.302 68.555 68.868 -0.019 0.000 0.866 420 T HN 0.366 nan 8.240 nan 0.000 0.444 421 D N 0.494 120.910 120.400 0.027 0.000 2.117 421 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 421 D C 1.679 178.047 176.300 0.112 0.000 0.987 421 D CA 0.650 54.697 54.000 0.078 0.000 0.829 421 D CB -0.429 40.454 40.800 0.138 0.000 0.961 421 D HN 0.379 nan 8.370 nan 0.000 0.460 422 F N 1.855 121.788 119.950 -0.029 0.000 2.171 422 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 422 F C 2.269 177.992 175.800 -0.128 0.000 1.090 422 F CA 1.322 59.308 58.000 -0.024 0.000 1.293 422 F CB 0.030 38.962 39.000 -0.113 0.000 1.013 422 F HN -0.211 nan 8.300 nan 0.000 0.486 423 R N 0.342 120.624 120.500 -0.363 0.000 2.081 423 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 423 R C 2.191 178.385 176.300 -0.177 0.000 1.131 423 R CA 1.960 57.823 56.100 -0.395 0.000 0.960 423 R CB -0.425 29.631 30.300 -0.406 0.000 0.856 423 R HN 0.433 nan 8.270 nan 0.000 0.436 424 E N -0.340 119.798 120.200 -0.103 0.000 2.031 424 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 424 E C 1.695 178.311 176.600 0.027 0.000 0.994 424 E CA 1.024 57.404 56.400 -0.032 0.000 0.800 424 E CB -0.238 29.448 29.700 -0.022 0.000 0.752 424 E HN 0.269 nan 8.360 nan 0.000 0.447 425 Y N 0.075 120.301 120.300 -0.123 0.000 2.465 425 Y HA -0.216 4.334 4.550 -0.000 0.000 0.289 425 Y C 1.595 177.416 175.900 -0.132 0.000 1.150 425 Y CA 0.831 58.868 58.100 -0.105 0.000 1.293 425 Y CB -0.286 38.133 38.460 -0.068 0.000 0.977 425 Y HN 0.061 nan 8.280 nan 0.000 0.556 426 F N -0.813 118.996 119.950 -0.235 0.000 2.274 426 F HA 0.001 4.528 4.527 0.000 0.000 0.288 426 F C 2.036 177.745 175.800 -0.152 0.000 1.069 426 F CA 0.830 58.644 58.000 -0.309 0.000 1.343 426 F CB -0.241 38.419 39.000 -0.566 0.000 1.089 426 F HN -0.161 nan 8.300 nan 0.000 0.517 427 M N 0.434 120.005 119.600 -0.049 0.000 2.700 427 M HA -0.098 4.382 4.480 -0.000 0.000 0.249 427 M C 1.205 177.428 176.300 -0.127 0.000 1.082 427 M CA 0.775 56.008 55.300 -0.112 0.000 1.077 427 M CB -0.118 32.473 32.600 -0.016 0.000 1.477 427 M HN 0.186 nan 8.290 nan 0.000 0.529 428 E N -0.452 119.689 120.200 -0.098 0.000 2.152 428 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 428 E C 2.220 178.771 176.600 -0.082 0.000 0.934 428 E CA 0.892 57.252 56.400 -0.066 0.000 0.869 428 E CB -0.306 29.379 29.700 -0.026 0.000 0.842 428 E HN 0.274 nan 8.360 nan 0.000 0.472 429 V N 2.335 122.207 119.914 -0.071 0.000 2.407 429 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 429 V C 1.537 177.538 176.094 -0.154 0.000 1.055 429 V CA 1.350 63.608 62.300 -0.071 0.000 1.049 429 V CB -0.872 30.940 31.823 -0.018 0.000 0.662 429 V HN 0.141 nan 8.190 nan 0.000 0.455 430 A N 0.000 122.645 122.820 -0.292 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 51.852 52.037 -0.309 0.000 0.836 430 A CB 0.000 18.677 19.000 -0.538 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486