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 1a5l_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLCIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.615 174.600 0.026 0.000 1.055 2 S CA 0.000 58.219 58.200 0.031 0.000 1.107 2 S CB 0.000 63.221 63.200 0.034 0.000 0.593 3 N N -0.077 118.639 118.700 0.026 0.000 2.277 3 N HA 0.730 5.470 4.740 -0.000 0.000 0.286 3 N C -1.951 173.578 175.510 0.032 0.000 1.140 3 N CA -0.351 52.707 53.050 0.013 0.000 0.799 3 N CB 2.663 41.152 38.487 0.003 0.000 1.596 3 N HN 0.689 nan 8.380 nan 0.000 0.473 4 I N 0.716 121.306 120.570 0.032 0.000 2.802 4 I HA 0.292 4.462 4.170 -0.000 0.000 0.298 4 I C -0.081 176.064 176.117 0.046 0.000 1.176 4 I CA -0.468 60.875 61.300 0.072 0.000 1.025 4 I CB 2.030 40.127 38.000 0.163 0.000 1.243 4 I HN 0.619 nan 8.210 nan 0.000 0.424 5 S N 5.736 121.470 115.700 0.056 0.000 2.603 5 S HA 0.378 4.848 4.470 -0.000 0.000 0.268 5 S C 0.975 175.615 174.600 0.067 0.000 1.317 5 S CA -0.527 57.695 58.200 0.036 0.000 1.012 5 S CB 1.560 64.780 63.200 0.032 0.000 0.926 5 S HN 0.775 nan 8.310 nan 0.000 0.539 6 R N 0.235 120.752 120.500 0.029 0.000 2.096 6 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 6 R C 2.368 178.743 176.300 0.124 0.000 1.127 6 R CA 1.593 57.722 56.100 0.049 0.000 0.968 6 R CB -0.437 29.860 30.300 -0.005 0.000 0.861 6 R HN 0.773 nan 8.270 nan 0.000 0.440 7 Q N 0.776 120.627 119.800 0.086 0.000 2.046 7 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 7 Q C 1.906 177.961 176.000 0.091 0.000 0.975 7 Q CA 2.064 57.916 55.803 0.081 0.000 0.836 7 Q CB -0.288 28.480 28.738 0.050 0.000 0.896 7 Q HN 0.289 nan 8.270 nan 0.000 0.428 8 A N -0.641 122.232 122.820 0.088 0.000 1.933 8 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 8 A C 2.054 179.696 177.584 0.097 0.000 1.175 8 A CA 1.510 53.588 52.037 0.068 0.000 0.628 8 A CB -1.087 17.952 19.000 0.065 0.000 0.814 8 A HN 0.621 nan 8.150 nan 0.000 0.444 9 Y N 0.561 120.907 120.300 0.075 0.000 2.145 9 Y HA -0.090 4.460 4.550 -0.000 0.000 0.286 9 Y C 2.644 178.653 175.900 0.183 0.000 1.145 9 Y CA 1.370 59.578 58.100 0.181 0.000 1.148 9 Y CB -0.467 38.070 38.460 0.128 0.000 0.981 9 Y HN 0.303 nan 8.280 nan 0.000 0.507 10 A N -0.093 122.902 122.820 0.291 0.000 1.933 10 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 10 A C 1.787 179.398 177.584 0.046 0.000 1.175 10 A CA 2.013 54.167 52.037 0.195 0.000 0.628 10 A CB -0.769 18.338 19.000 0.178 0.000 0.814 10 A HN 0.530 nan 8.150 nan 0.000 0.444 11 D N -1.286 119.114 120.400 -0.001 0.000 2.224 11 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 11 D C 1.847 178.048 176.300 -0.165 0.000 0.965 11 D CA 1.013 54.980 54.000 -0.055 0.000 0.852 11 D CB -0.160 40.615 40.800 -0.042 0.000 0.947 11 D HN 0.491 nan 8.370 nan 0.000 0.494 12 M N -1.404 118.007 119.600 -0.315 0.000 2.325 12 M HA 0.043 4.523 4.480 -0.000 0.000 0.265 12 M C 0.402 176.178 176.300 -0.873 0.000 1.094 12 M CA 1.087 55.974 55.300 -0.688 0.000 1.161 12 M CB 0.384 32.369 32.600 -1.024 0.000 1.358 12 M HN -0.094 nan 8.290 nan 0.000 0.446 13 F N -0.194 119.589 119.950 -0.278 0.000 2.746 13 F HA 0.489 5.016 4.527 -0.000 0.000 0.320 13 F C 0.817 176.569 175.800 -0.079 0.000 1.097 13 F CA 0.144 58.010 58.000 -0.224 0.000 1.195 13 F CB 0.229 38.972 39.000 -0.429 0.000 1.056 13 F HN 0.220 nan 8.300 nan 0.000 0.562 14 G N 1.518 110.368 108.800 0.082 0.000 2.707 14 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 14 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 14 G C -3.033 171.994 174.900 0.212 0.000 1.315 14 G CA -1.320 43.859 45.100 0.132 0.000 0.832 14 G HN -0.053 nan 8.290 nan 0.000 0.573 15 P HA 0.429 nan 4.420 nan 0.000 0.272 15 P C 0.093 177.542 177.300 0.249 0.000 1.230 15 P CA 0.393 63.620 63.100 0.211 0.000 0.788 15 P CB 1.689 33.474 31.700 0.141 0.000 0.949 16 T N -0.103 114.591 114.554 0.232 0.000 2.762 16 T HA 0.290 4.640 4.350 -0.000 0.000 0.272 16 T C -0.389 174.388 174.700 0.129 0.000 0.982 16 T CA -0.790 61.436 62.100 0.209 0.000 1.013 16 T CB 0.581 69.580 68.868 0.218 0.000 1.309 16 T HN 0.111 nan 8.240 nan 0.000 0.572 17 V N 2.193 122.179 119.914 0.120 0.000 2.583 17 V HA 0.333 4.453 4.120 -0.000 0.000 0.302 17 V C 1.834 177.962 176.094 0.058 0.000 1.033 17 V CA 1.640 63.990 62.300 0.084 0.000 1.194 17 V CB -0.253 31.620 31.823 0.082 0.000 0.879 17 V HN 1.305 nan 8.190 nan 0.000 0.482 18 G N 3.801 112.629 108.800 0.048 0.000 2.308 18 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.221 18 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.221 18 G C -0.053 174.865 174.900 0.031 0.000 1.032 18 G CA -0.020 45.098 45.100 0.030 0.000 0.623 18 G HN 0.665 nan 8.290 nan 0.000 0.506 19 D N 1.855 122.286 120.400 0.052 0.000 2.382 19 D HA 0.510 5.150 4.640 -0.000 0.000 0.245 19 D C 0.586 176.933 176.300 0.078 0.000 1.120 19 D CA 0.491 54.531 54.000 0.065 0.000 0.890 19 D CB 0.993 41.848 40.800 0.092 0.000 1.201 19 D HN 0.444 nan 8.370 nan 0.000 0.433 20 K N 0.351 120.812 120.400 0.101 0.000 2.156 20 K HA 0.663 4.983 4.320 -0.000 0.000 0.250 20 K C -0.904 175.870 176.600 0.290 0.000 0.955 20 K CA -0.954 55.441 56.287 0.181 0.000 0.855 20 K CB 2.103 34.683 32.500 0.134 0.000 1.101 20 K HN 0.087 nan 8.250 nan 0.000 0.434 21 V N 1.917 121.997 119.914 0.276 0.000 2.686 21 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 21 V C -0.542 175.472 176.094 -0.132 0.000 1.065 21 V CA -0.997 61.361 62.300 0.097 0.000 0.894 21 V CB 1.679 33.487 31.823 -0.024 0.000 1.004 21 V HN 0.716 nan 8.190 nan 0.000 0.424 22 R N 4.408 124.581 120.500 -0.545 0.000 2.390 22 R HA 0.538 4.878 4.340 -0.000 0.000 0.291 22 R C -0.991 174.951 176.300 -0.595 0.000 1.070 22 R CA -0.543 54.939 56.100 -1.030 0.000 1.014 22 R CB 0.669 30.118 30.300 -1.417 0.000 1.007 22 R HN 0.727 nan 8.270 nan 0.000 0.466 23 L N 6.251 127.126 121.223 -0.581 0.000 2.295 23 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 23 L C 1.125 177.798 176.870 -0.328 0.000 1.079 23 L CA 0.212 54.741 54.840 -0.519 0.000 0.830 23 L CB 0.561 42.203 42.059 -0.694 0.000 1.200 23 L HN 1.143 nan 8.230 nan 0.000 0.438 24 A N 4.150 126.839 122.820 -0.218 0.000 5.483 24 A HA -0.316 4.004 4.320 -0.000 0.000 0.309 24 A C 0.759 178.255 177.584 -0.148 0.000 1.898 24 A CA 1.484 53.439 52.037 -0.137 0.000 0.716 24 A CB -1.091 17.824 19.000 -0.142 0.000 1.309 24 A HN 0.963 nan 8.150 nan 0.000 0.380 25 D N 0.085 120.445 120.400 -0.068 0.000 2.615 25 D HA 0.364 5.003 4.640 -0.000 0.000 0.236 25 D C 0.636 176.858 176.300 -0.131 0.000 1.233 25 D CA 0.952 54.894 54.000 -0.096 0.000 0.829 25 D CB -1.004 39.769 40.800 -0.044 0.000 1.024 25 D HN 1.081 nan 8.370 nan 0.000 0.490 26 T N -3.010 111.446 114.554 -0.162 0.000 2.849 26 T HA 0.285 4.635 4.350 -0.000 0.000 0.276 26 T C 0.814 175.501 174.700 -0.021 0.000 0.971 26 T CA -0.539 61.504 62.100 -0.094 0.000 0.949 26 T CB 1.751 70.595 68.868 -0.040 0.000 1.093 26 T HN -0.231 nan 8.240 nan 0.000 0.545 27 E N -0.076 120.266 120.200 0.238 0.000 2.479 27 E HA 0.263 4.613 4.350 -0.000 0.000 0.193 27 E C 0.195 176.833 176.600 0.064 0.000 1.049 27 E CA -0.071 56.407 56.400 0.130 0.000 0.870 27 E CB -0.189 29.596 29.700 0.142 0.000 0.944 27 E HN 0.558 nan 8.360 nan 0.000 0.492 28 L N 0.620 121.819 121.223 -0.040 0.000 2.367 28 L HA 0.177 4.517 4.340 -0.000 0.000 0.275 28 L C -0.312 176.438 176.870 -0.199 0.000 1.129 28 L CA -0.048 54.764 54.840 -0.047 0.000 0.839 28 L CB 0.349 42.360 42.059 -0.081 0.000 1.133 28 L HN -0.073 nan 8.230 nan 0.000 0.453 29 W N 4.455 125.705 121.300 -0.084 0.000 2.785 29 W HA 0.633 5.293 4.660 -0.000 0.000 0.333 29 W C -0.236 176.219 176.519 -0.107 0.000 1.062 29 W CA -0.467 56.820 57.345 -0.096 0.000 1.233 29 W CB 1.587 31.014 29.460 -0.056 0.000 1.413 29 W HN 0.241 nan 8.180 nan 0.000 0.489 30 I N -0.527 120.105 120.570 0.103 0.000 2.797 30 I HA 0.709 4.879 4.170 -0.000 0.000 0.307 30 I C -0.713 175.445 176.117 0.068 0.000 1.033 30 I CA -1.140 60.172 61.300 0.019 0.000 1.071 30 I CB 2.310 40.240 38.000 -0.117 0.000 1.255 30 I HN 0.404 nan 8.210 nan 0.000 0.445 31 E N 3.345 123.570 120.200 0.043 0.000 2.256 31 E HA 0.404 4.754 4.350 -0.000 0.000 0.268 31 E C -1.452 175.169 176.600 0.035 0.000 0.877 31 E CA -0.872 55.557 56.400 0.048 0.000 0.757 31 E CB 2.587 32.312 29.700 0.042 0.000 1.183 31 E HN 0.602 nan 8.360 nan 0.000 0.418 32 V N 5.073 125.015 119.914 0.046 0.000 2.458 32 V HA -0.056 4.064 4.120 -0.000 0.000 0.287 32 V C 0.973 177.099 176.094 0.053 0.000 1.009 32 V CA 0.803 63.134 62.300 0.051 0.000 1.091 32 V CB 0.546 32.414 31.823 0.075 0.000 0.960 32 V HN 0.816 nan 8.190 nan 0.000 0.476 33 E N 2.392 122.622 120.200 0.050 0.000 2.170 33 E HA 0.040 4.390 4.350 -0.000 0.000 0.191 33 E C 0.281 176.920 176.600 0.065 0.000 0.981 33 E CA 0.479 56.913 56.400 0.057 0.000 0.830 33 E CB 0.370 30.108 29.700 0.064 0.000 0.775 33 E HN 0.739 nan 8.360 nan 0.000 0.470 34 D N -0.656 119.788 120.400 0.073 0.000 2.609 34 D HA 0.186 4.826 4.640 -0.000 0.000 0.239 34 D C -1.920 174.424 176.300 0.073 0.000 1.229 34 D CA -0.539 53.504 54.000 0.070 0.000 0.808 34 D CB 2.099 42.949 40.800 0.084 0.000 1.448 34 D HN -0.204 nan 8.370 nan 0.000 0.433 35 D N 2.073 122.501 120.400 0.045 0.000 2.686 35 D HA 0.220 4.860 4.640 -0.000 0.000 0.249 35 D C 0.164 176.449 176.300 -0.025 0.000 1.260 35 D CA -0.397 53.624 54.000 0.035 0.000 0.910 35 D CB 1.561 42.388 40.800 0.044 0.000 1.323 35 D HN 0.125 nan 8.370 nan 0.000 0.561 36 L N 2.384 123.610 121.223 0.004 0.000 2.599 36 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 36 L C 1.505 178.340 176.870 -0.059 0.000 1.141 36 L CA 0.492 55.322 54.840 -0.017 0.000 0.877 36 L CB -0.447 41.628 42.059 0.026 0.000 1.009 36 L HN 0.364 nan 8.230 nan 0.000 0.447 37 T N -1.069 113.426 114.554 -0.098 0.000 2.788 37 T HA 0.256 4.606 4.350 -0.000 0.000 0.280 37 T C 0.201 174.752 174.700 -0.248 0.000 0.984 37 T CA -0.152 61.873 62.100 -0.126 0.000 0.972 37 T CB 0.614 69.436 68.868 -0.076 0.000 1.039 37 T HN 0.085 nan 8.240 nan 0.000 0.530 38 T N 3.120 117.566 114.554 -0.180 0.000 2.864 38 T HA 0.347 4.697 4.350 -0.000 0.000 0.310 38 T C -1.131 173.519 174.700 -0.085 0.000 1.040 38 T CA -0.305 61.694 62.100 -0.168 0.000 0.977 38 T CB -0.133 68.693 68.868 -0.070 0.000 0.976 38 T HN 0.446 nan 8.240 nan 0.000 0.459 39 Y N 2.095 122.376 120.300 -0.032 0.000 2.852 39 Y HA 0.257 4.807 4.550 -0.000 0.000 0.343 39 Y C 1.678 177.560 175.900 -0.030 0.000 1.280 39 Y CA 1.203 59.279 58.100 -0.040 0.000 1.604 39 Y CB -0.502 37.919 38.460 -0.066 0.000 1.216 39 Y HN 1.017 nan 8.280 nan 0.000 0.541 40 G N 2.305 111.181 108.800 0.126 0.000 2.195 40 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 40 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 40 G C 0.614 175.526 174.900 0.019 0.000 0.990 40 G CA 0.011 45.146 45.100 0.057 0.000 0.639 40 G HN 0.493 nan 8.290 nan 0.000 0.514 41 E N 0.860 121.061 120.200 0.002 0.000 2.651 41 E HA 0.235 4.585 4.350 -0.000 0.000 0.208 41 E C 0.135 176.727 176.600 -0.013 0.000 0.997 41 E CA -0.042 56.359 56.400 0.002 0.000 1.020 41 E CB 0.511 30.216 29.700 0.007 0.000 1.052 41 E HN 0.674 nan 8.360 nan 0.000 0.465 42 E N 0.868 121.023 120.200 -0.076 0.000 2.384 42 E HA 0.083 4.433 4.350 -0.000 0.000 0.266 42 E C 0.212 176.844 176.600 0.052 0.000 1.012 42 E CA -0.189 56.170 56.400 -0.067 0.000 0.901 42 E CB 0.975 30.479 29.700 -0.326 0.000 0.967 42 E HN -0.074 nan 8.360 nan 0.000 0.435 43 V N 0.630 120.598 119.914 0.090 0.000 2.583 43 V HA 0.462 4.582 4.120 -0.000 0.000 0.287 43 V C 0.091 176.290 176.094 0.174 0.000 1.051 43 V CA -0.474 61.898 62.300 0.121 0.000 1.010 43 V CB 0.873 32.759 31.823 0.105 0.000 0.988 43 V HN 0.525 nan 8.190 nan 0.000 0.478 44 K N 3.125 123.632 120.400 0.179 0.000 2.523 44 K HA 0.550 4.870 4.320 -0.000 0.000 0.257 44 K C -1.890 174.815 176.600 0.176 0.000 0.932 44 K CA -0.637 55.760 56.287 0.183 0.000 0.812 44 K CB 2.676 35.280 32.500 0.173 0.000 1.326 44 K HN 0.723 nan 8.250 nan 0.000 0.433 45 F N 1.310 121.284 119.950 0.040 0.000 2.458 45 F HA 0.734 5.261 4.527 -0.000 0.000 0.330 45 F C 0.204 176.011 175.800 0.011 0.000 1.082 45 F CA 0.442 58.456 58.000 0.024 0.000 0.995 45 F CB 1.790 40.802 39.000 0.020 0.000 1.170 45 F HN 0.673 nan 8.300 nan 0.000 0.478 46 G N 2.256 110.312 108.800 -1.239 0.000 2.369 46 G HA2 0.349 4.309 3.960 -0.000 0.000 0.295 46 G HA3 0.349 4.309 3.960 -0.000 0.000 0.295 46 G C -0.755 173.812 174.900 -0.554 0.000 1.298 46 G CA -0.522 44.071 45.100 -0.845 0.000 0.940 46 G HN 1.080 nan 8.290 nan 0.000 0.536 47 G N -0.732 107.869 108.800 -0.331 0.000 2.299 47 G HA2 0.545 4.505 3.960 -0.000 0.000 0.256 47 G HA3 0.545 4.505 3.960 -0.000 0.000 0.256 47 G C 1.485 176.295 174.900 -0.149 0.000 1.259 47 G CA 1.835 46.813 45.100 -0.203 0.000 0.943 47 G HN 2.480 nan 8.290 nan 0.000 0.479 48 G N 1.655 110.383 108.800 -0.120 0.000 2.168 48 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 48 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 48 G C 0.862 175.722 174.900 -0.066 0.000 0.977 48 G CA 0.849 45.905 45.100 -0.074 0.000 0.659 48 G HN 0.727 nan 8.290 nan 0.000 0.533 49 K N -0.456 119.883 120.400 -0.101 0.000 2.731 49 K HA 0.556 4.876 4.320 -0.000 0.000 0.284 49 K C 1.933 178.528 176.600 -0.009 0.000 1.027 49 K CA 0.089 56.341 56.287 -0.058 0.000 1.040 49 K CB -0.280 32.163 32.500 -0.095 0.000 1.334 49 K HN 0.079 nan 8.250 nan 0.000 0.498 50 V N 0.665 120.602 119.914 0.037 0.000 2.407 50 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 50 V C 1.406 177.545 176.094 0.074 0.000 1.041 50 V CA 1.047 63.385 62.300 0.062 0.000 1.040 50 V CB -0.301 31.575 31.823 0.088 0.000 0.671 50 V HN 0.443 nan 8.190 nan 0.000 0.455 51 I N 2.532 123.170 120.570 0.114 0.000 2.352 51 I HA 0.170 4.340 4.170 -0.000 0.000 0.303 51 I C 0.331 176.538 176.117 0.150 0.000 1.194 51 I CA 0.666 62.062 61.300 0.159 0.000 1.518 51 I CB -0.712 37.445 38.000 0.262 0.000 1.489 51 I HN 0.251 nan 8.210 nan 0.000 0.702 52 R N 2.424 122.976 120.500 0.087 0.000 2.740 52 R HA 0.252 4.592 4.340 -0.000 0.000 0.273 52 R C -0.918 175.412 176.300 0.049 0.000 0.998 52 R CA -1.205 54.934 56.100 0.066 0.000 0.900 52 R CB 1.664 31.982 30.300 0.031 0.000 1.223 52 R HN 0.227 nan 8.270 nan 0.000 0.466 53 D N 0.499 120.924 120.400 0.041 0.000 2.662 53 D HA 0.016 4.656 4.640 -0.000 0.000 0.233 53 D C 1.188 177.502 176.300 0.024 0.000 1.129 53 D CA 2.630 56.647 54.000 0.029 0.000 0.851 53 D CB 0.288 41.102 40.800 0.023 0.000 1.152 53 D HN 0.703 nan 8.370 nan 0.000 0.507 54 G N 2.690 111.503 108.800 0.022 0.000 2.234 54 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 54 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 54 G C 0.760 175.673 174.900 0.022 0.000 0.987 54 G CA 0.866 45.977 45.100 0.019 0.000 0.625 54 G HN 0.521 nan 8.290 nan 0.000 0.532 55 M N -0.851 118.765 119.600 0.028 0.000 2.276 55 M HA 0.477 4.957 4.480 -0.000 0.000 0.202 55 M C 2.426 178.748 176.300 0.037 0.000 1.530 55 M CA 0.815 56.134 55.300 0.031 0.000 1.810 55 M CB -0.344 32.275 32.600 0.032 0.000 1.057 55 M HN 0.120 nan 8.290 nan 0.000 0.864 56 G N 0.124 108.952 108.800 0.048 0.000 2.679 56 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.212 56 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.212 56 G C 0.386 175.317 174.900 0.053 0.000 1.137 56 G CA 0.177 45.310 45.100 0.055 0.000 0.787 56 G HN 0.475 nan 8.290 nan 0.000 0.534 57 Q N 0.093 119.922 119.800 0.048 0.000 2.331 57 Q HA 0.556 4.896 4.340 -0.000 0.000 0.267 57 Q C 0.313 176.329 176.000 0.026 0.000 1.006 57 Q CA -0.686 55.141 55.803 0.039 0.000 0.818 57 Q CB 1.605 30.372 28.738 0.048 0.000 1.276 57 Q HN 0.129 nan 8.270 nan 0.000 0.450 58 G N 1.340 110.151 108.800 0.018 0.000 2.510 58 G HA2 0.105 4.065 3.960 -0.000 0.000 0.280 58 G HA3 0.105 4.065 3.960 -0.000 0.000 0.280 58 G C 0.096 175.001 174.900 0.007 0.000 1.386 58 G CA -0.173 44.934 45.100 0.012 0.000 1.047 58 G HN 0.683 nan 8.290 nan 0.000 0.527 59 Q N -0.303 119.500 119.800 0.005 0.000 2.247 59 Q HA 0.100 4.440 4.340 -0.000 0.000 0.211 59 Q C 1.036 177.035 176.000 -0.003 0.000 0.861 59 Q CA -0.311 55.494 55.803 0.002 0.000 0.949 59 Q CB 0.297 29.037 28.738 0.004 0.000 1.115 59 Q HN 0.655 nan 8.270 nan 0.000 0.507 60 M N -0.263 119.334 119.600 -0.005 0.000 2.248 60 M HA 0.236 4.716 4.480 -0.000 0.000 0.337 60 M C -0.012 176.277 176.300 -0.017 0.000 1.121 60 M CA 0.027 55.321 55.300 -0.010 0.000 1.155 60 M CB 0.149 32.742 32.600 -0.012 0.000 1.514 60 M HN -0.093 nan 8.290 nan 0.000 0.452 61 L N 2.559 123.772 121.223 -0.017 0.000 2.476 61 L HA 0.247 4.587 4.340 -0.000 0.000 0.255 61 L C 1.929 178.779 176.870 -0.033 0.000 1.218 61 L CA -0.128 54.699 54.840 -0.021 0.000 0.819 61 L CB 0.135 42.184 42.059 -0.016 0.000 1.119 61 L HN 1.011 nan 8.230 nan 0.000 0.485 62 A N 1.513 124.311 122.820 -0.037 0.000 1.927 62 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 62 A C 2.277 179.824 177.584 -0.060 0.000 1.185 62 A CA 2.132 54.139 52.037 -0.050 0.000 0.639 62 A CB -0.892 18.081 19.000 -0.044 0.000 0.820 62 A HN 0.916 nan 8.150 nan 0.000 0.451 63 A N -0.854 121.940 122.820 -0.042 0.000 2.070 63 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 63 A C 1.307 178.861 177.584 -0.050 0.000 1.159 63 A CA 1.594 53.608 52.037 -0.038 0.000 0.656 63 A CB -0.267 18.723 19.000 -0.016 0.000 0.800 63 A HN 0.491 nan 8.150 nan 0.000 0.453 64 D N -0.829 119.540 120.400 -0.051 0.000 2.424 64 D HA 0.226 4.866 4.640 -0.000 0.000 0.220 64 D C 0.055 176.303 176.300 -0.087 0.000 1.150 64 D CA 0.547 54.518 54.000 -0.048 0.000 0.831 64 D CB -0.053 40.737 40.800 -0.017 0.000 0.981 64 D HN 0.597 nan 8.370 nan 0.000 0.500 65 C N -1.398 117.816 119.300 -0.144 0.000 3.239 65 C HA 0.701 5.161 4.460 -0.000 0.000 0.317 65 C C 0.291 175.119 174.990 -0.269 0.000 1.310 65 C CA -1.242 57.669 59.018 -0.178 0.000 1.371 65 C CB 0.952 28.633 27.740 -0.099 0.000 1.714 65 C HN 0.016 nan 8.230 nan 0.000 0.473 66 V N 0.146 119.879 119.914 -0.301 0.000 3.051 66 V HA 0.366 4.486 4.120 -0.000 0.000 0.306 66 V C 0.596 176.594 176.094 -0.159 0.000 1.083 66 V CA 0.611 62.731 62.300 -0.300 0.000 1.104 66 V CB 0.563 32.249 31.823 -0.228 0.000 1.027 66 V HN 0.916 nan 8.190 nan 0.000 0.483 67 D N 0.791 121.118 120.400 -0.123 0.000 2.183 67 D HA 0.165 4.805 4.640 -0.000 0.000 0.205 67 D C 0.256 176.518 176.300 -0.064 0.000 0.962 67 D CA 1.225 55.176 54.000 -0.080 0.000 0.849 67 D CB 0.442 41.207 40.800 -0.057 0.000 0.978 67 D HN 0.520 nan 8.370 nan 0.000 0.488 68 L N 0.230 121.425 121.223 -0.047 0.000 2.431 68 L HA 0.513 4.853 4.340 -0.000 0.000 0.266 68 L C -1.570 175.295 176.870 -0.009 0.000 0.978 68 L CA -0.853 53.968 54.840 -0.031 0.000 0.822 68 L CB 2.527 44.578 42.059 -0.013 0.000 1.310 68 L HN -0.267 nan 8.230 nan 0.000 0.409 69 V N 5.911 125.820 119.914 -0.009 0.000 2.577 69 V HA 0.593 4.713 4.120 -0.000 0.000 0.303 69 V C -1.304 174.808 176.094 0.029 0.000 1.042 69 V CA -0.463 61.850 62.300 0.022 0.000 0.872 69 V CB 1.941 33.778 31.823 0.022 0.000 0.998 69 V HN 0.722 nan 8.190 nan 0.000 0.423 70 L N 6.684 127.941 121.223 0.057 0.000 2.264 70 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 70 L C 0.721 177.641 176.870 0.083 0.000 1.039 70 L CA 0.125 55.004 54.840 0.065 0.000 0.829 70 L CB 1.578 43.683 42.059 0.076 0.000 1.211 70 L HN 0.846 nan 8.230 nan 0.000 0.427 71 T N -0.198 114.407 114.554 0.084 0.000 2.869 71 T HA 0.245 4.595 4.350 -0.000 0.000 0.295 71 T C 0.614 175.386 174.700 0.120 0.000 0.987 71 T CA -0.668 61.495 62.100 0.105 0.000 1.109 71 T CB 0.461 69.399 68.868 0.118 0.000 0.932 71 T HN 0.610 nan 8.240 nan 0.000 0.518 72 N N 0.241 119.019 118.700 0.131 0.000 2.714 72 N HA -0.160 4.580 4.740 -0.000 0.000 0.252 72 N C 0.010 175.602 175.510 0.137 0.000 1.014 72 N CA 0.839 53.977 53.050 0.147 0.000 0.735 72 N CB -1.617 36.980 38.487 0.184 0.000 0.924 72 N HN 1.113 nan 8.380 nan 0.000 0.540 73 A N 0.187 123.084 122.820 0.127 0.000 2.327 73 A HA 0.544 4.864 4.320 -0.000 0.000 0.283 73 A C 0.450 178.107 177.584 0.121 0.000 1.127 73 A CA -0.536 51.576 52.037 0.125 0.000 0.810 73 A CB 0.789 19.865 19.000 0.126 0.000 1.066 73 A HN 0.323 nan 8.150 nan 0.000 0.492 74 L N 4.158 125.449 121.223 0.113 0.000 2.270 74 L HA 0.462 4.802 4.340 -0.000 0.000 0.286 74 L C -0.493 176.418 176.870 0.069 0.000 1.059 74 L CA -0.096 54.795 54.840 0.085 0.000 0.839 74 L CB -0.182 41.919 42.059 0.070 0.000 1.221 74 L HN 0.555 nan 8.230 nan 0.000 0.431 75 I N 5.192 125.788 120.570 0.043 0.000 2.474 75 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 75 I C -0.391 175.652 176.117 -0.123 0.000 1.048 75 I CA -0.521 60.774 61.300 -0.009 0.000 1.383 75 I CB 1.286 39.274 38.000 -0.020 0.000 1.412 75 I HN 0.237 nan 8.210 nan 0.000 0.531 76 V N 5.447 125.296 119.914 -0.108 0.000 2.357 76 V HA 0.387 4.507 4.120 -0.000 0.000 0.281 76 V C -0.692 175.291 176.094 -0.185 0.000 1.015 76 V CA -0.346 61.861 62.300 -0.154 0.000 0.827 76 V CB 1.452 33.219 31.823 -0.093 0.000 1.018 76 V HN 0.683 nan 8.190 nan 0.000 0.432 77 D N 0.842 120.979 120.400 -0.438 0.000 2.579 77 D HA 0.327 4.967 4.640 -0.000 0.000 0.257 77 D C 0.932 176.964 176.300 -0.447 0.000 1.176 77 D CA -0.451 53.250 54.000 -0.499 0.000 0.914 77 D CB 1.625 41.864 40.800 -0.935 0.000 1.431 77 D HN 0.686 nan 8.370 nan 0.000 0.454 78 H N 0.065 119.047 119.070 -0.146 0.000 2.492 78 H HA -0.088 4.468 4.556 -0.000 0.000 0.296 78 H C 1.377 176.826 175.328 0.200 0.000 1.095 78 H CA 1.859 57.953 56.048 0.077 0.000 1.281 78 H CB -0.323 29.510 29.762 0.118 0.000 1.374 78 H HN 0.518 nan 8.280 nan 0.000 0.545 79 W N 0.229 121.388 121.300 -0.236 0.000 3.114 79 W HA 0.598 5.258 4.660 -0.000 0.000 0.279 79 W C -0.128 176.410 176.519 0.031 0.000 1.277 79 W CA 0.116 57.433 57.345 -0.047 0.000 1.630 79 W CB 0.212 29.558 29.460 -0.191 0.000 1.087 79 W HN 0.398 nan 8.180 nan 0.000 0.637 80 G N 0.980 109.571 108.800 -0.349 0.000 2.340 80 G HA2 0.393 4.353 3.960 -0.000 0.000 0.298 80 G HA3 0.393 4.353 3.960 -0.000 0.000 0.298 80 G C -2.019 172.631 174.900 -0.418 0.000 1.498 80 G CA -1.063 43.913 45.100 -0.206 0.000 0.847 80 G HN 0.050 nan 8.290 nan 0.000 0.594 81 I N 1.655 122.120 120.570 -0.175 0.000 2.502 81 I HA 0.436 4.606 4.170 -0.000 0.000 0.276 81 I C 0.239 176.325 176.117 -0.052 0.000 1.057 81 I CA -0.897 60.316 61.300 -0.145 0.000 1.163 81 I CB 1.250 39.196 38.000 -0.089 0.000 1.288 81 I HN 0.546 nan 8.210 nan 0.000 0.479 82 V N 2.082 121.970 119.914 -0.043 0.000 3.074 82 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 82 V C -0.620 175.522 176.094 0.081 0.000 1.117 82 V CA -1.027 61.311 62.300 0.063 0.000 1.014 82 V CB 2.205 34.130 31.823 0.169 0.000 1.057 82 V HN 0.510 nan 8.190 nan 0.000 0.438 83 K N 1.618 122.079 120.400 0.103 0.000 2.185 83 K HA 0.914 5.234 4.320 -0.000 0.000 0.269 83 K C -0.507 176.165 176.600 0.119 0.000 0.987 83 K CA 0.608 56.965 56.287 0.116 0.000 0.865 83 K CB 1.156 33.736 32.500 0.132 0.000 1.090 83 K HN 1.647 nan 8.250 nan 0.000 0.450 84 A N 2.994 125.889 122.820 0.125 0.000 2.515 84 A HA 0.400 4.720 4.320 -0.000 0.000 0.292 84 A C -1.781 175.874 177.584 0.119 0.000 1.065 84 A CA -0.947 51.160 52.037 0.117 0.000 0.641 84 A CB 0.736 19.815 19.000 0.133 0.000 1.306 84 A HN 0.667 nan 8.150 nan 0.000 0.441 85 D N 0.425 120.890 120.400 0.107 0.000 2.225 85 D HA 0.601 5.241 4.640 -0.000 0.000 0.249 85 D C -0.627 175.744 176.300 0.118 0.000 1.052 85 D CA 0.351 54.415 54.000 0.107 0.000 0.909 85 D CB 1.436 42.293 40.800 0.095 0.000 1.186 85 D HN 0.425 nan 8.370 nan 0.000 0.431 86 I N 0.910 121.552 120.570 0.120 0.000 2.406 86 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 86 I C 0.690 176.886 176.117 0.132 0.000 0.999 86 I CA -0.716 60.663 61.300 0.133 0.000 1.124 86 I CB 2.061 40.142 38.000 0.136 0.000 1.289 86 I HN 0.203 nan 8.210 nan 0.000 0.441 87 G N 5.473 114.378 108.800 0.174 0.000 2.356 87 G HA2 0.605 4.565 3.960 -0.000 0.000 0.322 87 G HA3 0.605 4.565 3.960 -0.000 0.000 0.322 87 G C -0.972 174.052 174.900 0.207 0.000 1.125 87 G CA -0.328 44.889 45.100 0.195 0.000 0.885 87 G HN 0.336 nan 8.290 nan 0.000 0.467 88 V N 2.135 122.120 119.914 0.117 0.000 2.487 88 V HA 0.594 4.714 4.120 -0.000 0.000 0.298 88 V C -0.089 176.030 176.094 0.042 0.000 1.028 88 V CA -0.778 61.586 62.300 0.107 0.000 0.860 88 V CB 1.714 33.582 31.823 0.075 0.000 0.991 88 V HN 0.809 nan 8.190 nan 0.000 0.427 89 K N 2.938 123.382 120.400 0.073 0.000 2.468 89 K HA 0.435 4.755 4.320 -0.000 0.000 0.252 89 K C -0.602 176.034 176.600 0.060 0.000 0.932 89 K CA -0.510 55.778 56.287 0.002 0.000 0.794 89 K CB 1.440 33.874 32.500 -0.110 0.000 1.241 89 K HN 0.643 nan 8.250 nan 0.000 0.428 90 D N 2.891 123.314 120.400 0.039 0.000 2.837 90 D HA -0.193 4.447 4.640 -0.000 0.000 0.230 90 D C 0.610 176.965 176.300 0.091 0.000 1.152 90 D CA 1.908 55.950 54.000 0.070 0.000 0.736 90 D CB -1.166 39.679 40.800 0.074 0.000 1.084 90 D HN 1.083 nan 8.370 nan 0.000 0.429 91 G N -0.644 108.206 108.800 0.083 0.000 2.162 91 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 91 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 91 G C 0.354 175.304 174.900 0.084 0.000 0.976 91 G CA 0.724 45.877 45.100 0.088 0.000 0.655 91 G HN 0.544 nan 8.290 nan 0.000 0.533 92 R N -0.811 119.746 120.500 0.095 0.000 2.854 92 R HA 0.623 4.963 4.340 -0.000 0.000 0.271 92 R C 0.213 176.593 176.300 0.133 0.000 0.996 92 R CA -1.179 54.983 56.100 0.103 0.000 0.961 92 R CB 1.398 31.757 30.300 0.098 0.000 1.182 92 R HN 0.169 nan 8.270 nan 0.000 0.479 93 I N 2.921 123.566 120.570 0.124 0.000 2.578 93 I HA -0.088 4.082 4.170 -0.000 0.000 0.286 93 I C 0.994 177.203 176.117 0.153 0.000 1.126 93 I CA 0.323 61.706 61.300 0.138 0.000 1.380 93 I CB 0.155 38.224 38.000 0.114 0.000 1.408 93 I HN 0.625 nan 8.210 nan 0.000 0.532 94 F N 7.200 127.173 119.950 0.038 0.000 2.147 94 F HA 0.332 4.859 4.527 -0.000 0.000 0.291 94 F C 1.038 176.850 175.800 0.020 0.000 1.093 94 F CA 0.830 58.846 58.000 0.027 0.000 1.263 94 F CB 0.291 39.307 39.000 0.026 0.000 1.036 94 F HN 0.447 nan 8.300 nan 0.000 0.481 95 A N -0.315 122.534 122.820 0.048 0.000 2.610 95 A HA 0.620 4.940 4.320 -0.000 0.000 0.291 95 A C -1.607 176.012 177.584 0.057 0.000 1.086 95 A CA -0.598 51.391 52.037 -0.080 0.000 0.677 95 A CB 0.646 19.551 19.000 -0.158 0.000 1.278 95 A HN 0.115 nan 8.150 nan 0.000 0.414 96 I N 1.318 121.898 120.570 0.016 0.000 2.448 96 I HA 0.623 4.793 4.170 -0.000 0.000 0.281 96 I C 0.641 176.786 176.117 0.046 0.000 1.027 96 I CA 0.237 61.579 61.300 0.069 0.000 1.111 96 I CB 1.619 39.664 38.000 0.076 0.000 1.236 96 I HN 1.072 nan 8.210 nan 0.000 0.452 97 G N 5.388 114.230 108.800 0.071 0.000 2.818 97 G HA2 0.210 4.170 3.960 -0.000 0.000 0.109 97 G HA3 0.210 4.170 3.960 -0.000 0.000 0.109 97 G C -1.466 173.469 174.900 0.057 0.000 1.206 97 G CA -0.363 44.767 45.100 0.051 0.000 1.243 97 G HN 0.268 nan 8.290 nan 0.000 0.609 98 K N 1.259 121.689 120.400 0.049 0.000 2.425 98 K HA 0.703 5.023 4.320 -0.000 0.000 0.259 98 K C -0.202 176.433 176.600 0.059 0.000 0.978 98 K CA -0.269 56.044 56.287 0.044 0.000 0.883 98 K CB 1.037 33.548 32.500 0.019 0.000 1.110 98 K HN 0.748 nan 8.250 nan 0.000 0.436 99 A N 2.405 125.265 122.820 0.066 0.000 2.304 99 A HA 0.826 5.146 4.320 -0.000 0.000 0.271 99 A C 0.396 178.014 177.584 0.056 0.000 1.091 99 A CA 0.474 52.553 52.037 0.069 0.000 0.812 99 A CB 0.698 19.741 19.000 0.073 0.000 1.056 99 A HN 0.894 nan 8.150 nan 0.000 0.489 100 G N 0.068 108.899 108.800 0.051 0.000 2.350 100 G HA2 0.284 4.244 3.960 -0.000 0.000 0.276 100 G HA3 0.284 4.244 3.960 -0.000 0.000 0.276 100 G C -1.497 173.426 174.900 0.038 0.000 1.313 100 G CA -0.323 44.805 45.100 0.046 0.000 0.903 100 G HN 1.041 nan 8.290 nan 0.000 0.490 101 N N 0.756 119.477 118.700 0.035 0.000 2.446 101 N HA 0.611 5.350 4.740 -0.000 0.000 0.265 101 N C -1.650 173.876 175.510 0.026 0.000 0.975 101 N CA -2.331 50.736 53.050 0.028 0.000 0.928 101 N CB 2.421 40.925 38.487 0.028 0.000 1.160 101 N HN 0.022 nan 8.380 nan 0.000 0.495 102 P HA -0.016 nan 4.420 nan 0.000 0.225 102 P C 0.194 177.506 177.300 0.020 0.000 1.148 102 P CA 0.795 63.909 63.100 0.024 0.000 0.779 102 P CB 0.442 32.157 31.700 0.025 0.000 0.780 103 D N -0.832 119.580 120.400 0.019 0.000 2.219 103 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 103 D C 1.700 178.010 176.300 0.017 0.000 0.970 103 D CA 1.140 55.150 54.000 0.016 0.000 0.851 103 D CB -0.065 40.744 40.800 0.015 0.000 0.943 103 D HN 0.353 nan 8.370 nan 0.000 0.488 104 I N -3.810 116.771 120.570 0.019 0.000 4.730 104 I HA 0.220 4.390 4.170 -0.000 0.000 0.332 104 I C 0.043 176.173 176.117 0.020 0.000 1.299 104 I CA -0.404 60.908 61.300 0.019 0.000 1.294 104 I CB 0.386 38.398 38.000 0.021 0.000 1.317 104 I HN -0.318 nan 8.210 nan 0.000 0.457 105 Q N 3.609 123.422 119.800 0.022 0.000 2.257 105 Q HA 0.563 4.903 4.340 -0.000 0.000 0.262 105 Q C -2.555 173.455 176.000 0.018 0.000 0.997 105 Q CA -1.969 53.847 55.803 0.021 0.000 0.873 105 Q CB 1.952 30.705 28.738 0.025 0.000 1.312 105 Q HN 0.118 nan 8.270 nan 0.000 0.450 106 P HA 0.216 nan 4.420 nan 0.000 0.287 106 P C -1.048 176.256 177.300 0.007 0.000 1.270 106 P CA -0.373 62.733 63.100 0.010 0.000 0.844 106 P CB 0.857 32.561 31.700 0.006 0.000 1.068 107 N N -1.888 116.816 118.700 0.006 0.000 2.741 107 N HA -0.133 4.607 4.740 -0.000 0.000 0.251 107 N C -0.308 175.210 175.510 0.013 0.000 1.112 107 N CA 0.296 53.348 53.050 0.004 0.000 0.750 107 N CB -1.832 36.649 38.487 -0.009 0.000 1.119 107 N HN 0.153 nan 8.380 nan 0.000 0.561 108 V N 1.144 121.072 119.914 0.022 0.000 2.450 108 V HA 0.071 4.191 4.120 -0.000 0.000 0.281 108 V C 1.714 177.837 176.094 0.048 0.000 1.019 108 V CA 1.298 63.620 62.300 0.036 0.000 1.062 108 V CB 0.948 32.794 31.823 0.038 0.000 0.979 108 V HN 0.499 nan 8.190 nan 0.000 0.477 109 T N 1.625 116.216 114.554 0.062 0.000 2.985 109 T HA 0.383 4.733 4.350 -0.000 0.000 0.254 109 T C 0.326 175.124 174.700 0.164 0.000 1.021 109 T CA 0.135 62.285 62.100 0.083 0.000 0.957 109 T CB 0.153 69.048 68.868 0.045 0.000 1.047 109 T HN 0.350 nan 8.240 nan 0.000 0.511 110 I N 4.015 124.675 120.570 0.150 0.000 2.502 110 I HA 0.355 4.525 4.170 -0.000 0.000 0.276 110 I C -2.674 173.499 176.117 0.093 0.000 1.057 110 I CA -2.700 58.714 61.300 0.189 0.000 1.163 110 I CB 1.922 40.025 38.000 0.172 0.000 1.288 110 I HN -0.046 nan 8.210 nan 0.000 0.479 111 P HA 0.227 nan 4.420 nan 0.000 0.276 111 P C -0.548 176.740 177.300 -0.020 0.000 1.235 111 P CA 0.136 63.245 63.100 0.015 0.000 0.772 111 P CB 1.281 32.985 31.700 0.007 0.000 0.871 112 I N 2.604 123.172 120.570 -0.002 0.000 2.354 112 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 112 I C 1.026 177.137 176.117 -0.010 0.000 0.989 112 I CA -0.163 61.132 61.300 -0.009 0.000 1.188 112 I CB 1.811 39.821 38.000 0.016 0.000 1.342 112 I HN 0.423 nan 8.210 nan 0.000 0.457 113 G N 2.919 111.705 108.800 -0.025 0.000 3.105 113 G HA2 0.547 4.507 3.960 -0.000 0.000 0.277 113 G HA3 0.547 4.507 3.960 -0.000 0.000 0.277 113 G C 0.621 175.510 174.900 -0.020 0.000 1.375 113 G CA 0.004 45.093 45.100 -0.019 0.000 0.962 113 G HN 0.610 nan 8.290 nan 0.000 0.541 114 A N -0.726 122.084 122.820 -0.016 0.000 1.986 114 A HA 0.149 4.469 4.320 -0.000 0.000 0.220 114 A C 2.355 179.920 177.584 -0.032 0.000 1.171 114 A CA 2.754 54.781 52.037 -0.017 0.000 0.640 114 A CB -0.643 18.348 19.000 -0.015 0.000 0.811 114 A HN 1.552 nan 8.150 nan 0.000 0.451 115 A N -1.020 121.775 122.820 -0.042 0.000 2.278 115 A HA 0.347 4.667 4.320 -0.000 0.000 0.212 115 A C 0.778 178.323 177.584 -0.065 0.000 1.213 115 A CA 0.587 52.592 52.037 -0.054 0.000 0.840 115 A CB -0.463 18.503 19.000 -0.056 0.000 0.866 115 A HN 0.284 nan 8.150 nan 0.000 0.489 116 T N 1.078 115.594 114.554 -0.062 0.000 2.744 116 T HA 0.403 4.753 4.350 -0.000 0.000 0.291 116 T C -0.223 174.423 174.700 -0.091 0.000 0.957 116 T CA -0.280 61.777 62.100 -0.071 0.000 1.002 116 T CB 1.357 70.190 68.868 -0.058 0.000 0.919 116 T HN 0.458 nan 8.240 nan 0.000 0.468 117 E N 2.520 122.660 120.200 -0.100 0.000 2.318 117 E HA 0.503 4.853 4.350 -0.000 0.000 0.265 117 E C -1.153 175.357 176.600 -0.150 0.000 1.069 117 E CA -0.622 55.696 56.400 -0.137 0.000 0.893 117 E CB 0.882 30.515 29.700 -0.110 0.000 1.076 117 E HN 0.313 nan 8.360 nan 0.000 0.414 118 V N 4.720 124.493 119.914 -0.235 0.000 2.588 118 V HA 0.439 4.559 4.120 -0.000 0.000 0.304 118 V C -0.311 175.685 176.094 -0.163 0.000 1.042 118 V CA -0.652 61.520 62.300 -0.212 0.000 0.877 118 V CB 1.577 33.200 31.823 -0.334 0.000 0.996 118 V HN 0.664 nan 8.190 nan 0.000 0.425 119 I N 3.746 124.276 120.570 -0.067 0.000 2.410 119 I HA 0.575 4.745 4.170 -0.000 0.000 0.286 119 I C 0.434 176.561 176.117 0.017 0.000 1.009 119 I CA -0.616 60.668 61.300 -0.026 0.000 1.111 119 I CB 1.815 39.810 38.000 -0.007 0.000 1.262 119 I HN 0.709 nan 8.210 nan 0.000 0.443 120 A N 5.164 128.006 122.820 0.037 0.000 2.350 120 A HA 0.587 4.907 4.320 -0.000 0.000 0.293 120 A C 0.744 178.368 177.584 0.067 0.000 1.231 120 A CA -0.090 51.990 52.037 0.072 0.000 0.883 120 A CB 0.330 19.386 19.000 0.093 0.000 1.133 120 A HN 0.879 nan 8.150 nan 0.000 0.533 121 A N 2.980 125.848 122.820 0.080 0.000 2.503 121 A HA 0.292 4.612 4.320 -0.000 0.000 0.263 121 A C 0.613 178.256 177.584 0.098 0.000 1.258 121 A CA -0.286 51.803 52.037 0.087 0.000 0.936 121 A CB -0.095 18.961 19.000 0.094 0.000 1.070 121 A HN 0.815 nan 8.150 nan 0.000 0.522 122 E N 0.044 120.301 120.200 0.094 0.000 2.351 122 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 122 E C 0.835 177.480 176.600 0.075 0.000 1.031 122 E CA 0.495 56.952 56.400 0.094 0.000 0.911 122 E CB 0.332 30.079 29.700 0.078 0.000 0.986 122 E HN 0.875 nan 8.360 nan 0.000 0.446 123 G N 3.005 111.857 108.800 0.087 0.000 2.195 123 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 123 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 123 G C 0.061 175.020 174.900 0.099 0.000 0.984 123 G CA 0.126 45.274 45.100 0.080 0.000 0.633 123 G HN 0.475 nan 8.290 nan 0.000 0.525 124 K N 0.034 120.503 120.400 0.114 0.000 2.185 124 K HA 0.759 5.079 4.320 -0.000 0.000 0.240 124 K C 0.003 176.703 176.600 0.166 0.000 0.983 124 K CA -0.812 55.566 56.287 0.151 0.000 0.873 124 K CB 1.878 34.463 32.500 0.143 0.000 1.118 124 K HN 0.234 nan 8.250 nan 0.000 0.441 125 I N 1.480 122.194 120.570 0.240 0.000 2.377 125 I HA 0.240 4.410 4.170 -0.000 0.000 0.293 125 I C -0.509 175.842 176.117 0.390 0.000 0.987 125 I CA -1.073 60.380 61.300 0.255 0.000 1.185 125 I CB 1.811 39.946 38.000 0.225 0.000 1.341 125 I HN 0.013 nan 8.210 nan 0.000 0.455 126 V N 4.796 124.887 119.914 0.295 0.000 2.495 126 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 126 V C 0.112 176.393 176.094 0.313 0.000 1.031 126 V CA -0.394 62.080 62.300 0.290 0.000 0.871 126 V CB 1.908 33.839 31.823 0.181 0.000 0.988 126 V HN 0.899 nan 8.190 nan 0.000 0.432 127 T N 1.480 116.269 114.554 0.392 0.000 2.887 127 T HA 0.873 5.223 4.350 -0.000 0.000 0.292 127 T C -0.087 174.793 174.700 0.299 0.000 1.087 127 T CA -0.343 61.982 62.100 0.375 0.000 1.009 127 T CB 1.951 71.162 68.868 0.572 0.000 1.203 127 T HN 0.999 nan 8.240 nan 0.000 0.518 128 A N 0.308 123.286 122.820 0.263 0.000 2.346 128 A HA 0.700 5.020 4.320 -0.000 0.000 0.252 128 A C 0.923 178.664 177.584 0.261 0.000 1.089 128 A CA -0.165 52.010 52.037 0.229 0.000 0.797 128 A CB -0.636 18.489 19.000 0.208 0.000 1.047 128 A HN 1.375 nan 8.150 nan 0.000 0.494 129 G N -0.382 108.545 108.800 0.212 0.000 2.432 129 G HA2 0.484 4.444 3.960 -0.000 0.000 0.257 129 G HA3 0.484 4.444 3.960 -0.000 0.000 0.257 129 G C 0.500 175.553 174.900 0.255 0.000 1.238 129 G CA 0.207 45.434 45.100 0.212 0.000 0.838 129 G HN 1.114 nan 8.290 nan 0.000 0.547 130 G N -0.291 108.691 108.800 0.304 0.000 2.636 130 G HA2 0.459 4.419 3.960 -0.000 0.000 0.246 130 G HA3 0.459 4.419 3.960 -0.000 0.000 0.246 130 G C -0.294 174.742 174.900 0.227 0.000 1.216 130 G CA -0.506 44.810 45.100 0.361 0.000 0.854 130 G HN 0.657 nan 8.290 nan 0.000 0.572 131 I N 0.831 121.529 120.570 0.213 0.000 2.468 131 I HA 0.186 4.356 4.170 -0.000 0.000 0.285 131 I C -1.285 174.898 176.117 0.109 0.000 1.039 131 I CA -0.730 60.653 61.300 0.137 0.000 1.074 131 I CB 2.163 40.227 38.000 0.106 0.000 1.228 131 I HN 0.290 nan 8.210 nan 0.000 0.436 132 D N 4.517 124.959 120.400 0.070 0.000 2.329 132 D HA 0.248 4.888 4.640 -0.000 0.000 0.232 132 D C 0.660 176.968 176.300 0.012 0.000 1.088 132 D CA -0.162 53.860 54.000 0.036 0.000 0.835 132 D CB 1.589 42.383 40.800 -0.011 0.000 1.078 132 D HN 0.617 nan 8.370 nan 0.000 0.495 133 T N 0.257 114.841 114.554 0.050 0.000 3.243 133 T HA 0.166 4.516 4.350 -0.000 0.000 0.264 133 T C 0.441 175.215 174.700 0.124 0.000 1.000 133 T CA -0.284 61.831 62.100 0.025 0.000 0.901 133 T CB -0.513 68.390 68.868 0.058 0.000 1.083 133 T HN 0.511 nan 8.240 nan 0.000 0.559 134 H N 0.609 119.613 119.070 -0.109 0.000 2.712 134 H HA 0.419 4.975 4.556 -0.000 0.000 0.226 134 H C -0.905 174.214 175.328 -0.349 0.000 1.422 134 H CA -0.860 54.995 56.048 -0.322 0.000 1.270 134 H CB 0.064 29.561 29.762 -0.441 0.000 1.891 134 H HN 0.216 nan 8.280 nan 0.000 0.518 135 I N 2.244 122.673 120.570 -0.234 0.000 2.331 135 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 135 I C 0.308 176.122 176.117 -0.505 0.000 0.998 135 I CA -0.301 60.727 61.300 -0.453 0.000 1.267 135 I CB 1.003 38.508 38.000 -0.826 0.000 1.386 135 I HN 0.502 nan 8.210 nan 0.000 0.476 136 H N 5.506 124.350 119.070 -0.376 0.000 2.594 136 H HA 0.122 4.678 4.556 -0.000 0.000 0.304 136 H C -0.757 174.433 175.328 -0.230 0.000 1.068 136 H CA -0.297 55.622 56.048 -0.215 0.000 1.308 136 H CB 0.669 30.366 29.762 -0.109 0.000 1.409 136 H HN 0.556 nan 8.280 nan 0.000 0.460 137 W N 5.261 126.618 121.300 0.095 0.000 1.564 137 W HA 0.150 4.810 4.660 -0.000 0.000 0.480 137 W C 0.998 177.540 176.519 0.039 0.000 0.699 137 W CA -0.309 57.068 57.345 0.053 0.000 1.985 137 W CB -0.257 29.220 29.460 0.027 0.000 1.738 137 W HN 0.637 nan 8.180 nan 0.000 0.218 138 I N 1.292 121.994 120.570 0.220 0.000 2.584 138 I HA -0.070 4.099 4.170 -0.000 0.000 0.255 138 I C 1.069 177.273 176.117 0.144 0.000 1.145 138 I CA 0.649 62.036 61.300 0.146 0.000 1.462 138 I CB -0.071 38.008 38.000 0.133 0.000 1.102 138 I HN 0.246 nan 8.210 nan 0.000 0.433 139 C N -2.175 117.233 119.300 0.180 0.000 3.171 139 C HA 0.393 4.853 4.460 -0.000 0.000 0.336 139 C C -2.011 173.101 174.990 0.202 0.000 1.198 139 C CA -1.345 57.763 59.018 0.149 0.000 1.319 139 C CB 1.279 29.078 27.740 0.100 0.000 1.682 139 C HN -0.042 nan 8.230 nan 0.000 0.497 140 P HA -0.037 nan 4.420 nan 0.000 0.229 140 P C 0.993 178.372 177.300 0.132 0.000 1.160 140 P CA 1.392 64.572 63.100 0.134 0.000 0.777 140 P CB 0.220 31.949 31.700 0.048 0.000 0.814 141 Q N -0.021 119.840 119.800 0.102 0.000 2.439 141 Q HA -0.090 4.250 4.340 -0.000 0.000 0.211 141 Q C 2.292 178.343 176.000 0.085 0.000 0.978 141 Q CA 1.102 56.950 55.803 0.076 0.000 0.897 141 Q CB -0.721 28.047 28.738 0.050 0.000 0.956 141 Q HN 0.442 nan 8.270 nan 0.000 0.483 142 Q N -0.680 119.196 119.800 0.127 0.000 2.167 142 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 142 Q C 1.928 178.003 176.000 0.124 0.000 0.970 142 Q CA 1.101 56.967 55.803 0.105 0.000 0.855 142 Q CB -0.106 28.688 28.738 0.094 0.000 0.911 142 Q HN 0.479 nan 8.270 nan 0.000 0.438 143 A N 1.001 123.948 122.820 0.212 0.000 1.969 143 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 143 A C 1.850 179.493 177.584 0.098 0.000 1.169 143 A CA 1.520 53.676 52.037 0.198 0.000 0.635 143 A CB -0.335 18.799 19.000 0.222 0.000 0.810 143 A HN 0.411 nan 8.150 nan 0.000 0.445 144 E N -0.599 119.643 120.200 0.070 0.000 2.076 144 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 144 E C 1.939 178.540 176.600 0.001 0.000 0.979 144 E CA 1.075 57.495 56.400 0.033 0.000 0.807 144 E CB -0.094 29.625 29.700 0.032 0.000 0.761 144 E HN 0.508 nan 8.360 nan 0.000 0.454 145 E N 0.508 120.710 120.200 0.004 0.000 2.085 145 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 145 E C 1.707 178.284 176.600 -0.038 0.000 0.994 145 E CA 1.599 57.984 56.400 -0.024 0.000 0.801 145 E CB -0.282 29.408 29.700 -0.016 0.000 0.743 145 E HN 0.359 nan 8.360 nan 0.000 0.453 146 A N -0.028 122.785 122.820 -0.012 0.000 1.897 146 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 146 A C 2.155 179.733 177.584 -0.010 0.000 1.181 146 A CA 1.252 53.283 52.037 -0.011 0.000 0.620 146 A CB -0.690 18.317 19.000 0.012 0.000 0.821 146 A HN 0.346 nan 8.150 nan 0.000 0.443 147 L N 0.062 121.284 121.223 -0.002 0.000 2.046 147 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 147 L C 2.373 179.198 176.870 -0.075 0.000 1.077 147 L CA 1.852 56.685 54.840 -0.011 0.000 0.747 147 L CB -0.489 41.574 42.059 0.007 0.000 0.896 147 L HN 0.158 nan 8.230 nan 0.000 0.432 148 V N -0.398 119.433 119.914 -0.138 0.000 2.490 148 V HA -0.248 3.871 4.120 -0.000 0.000 0.250 148 V C 2.632 178.555 176.094 -0.285 0.000 1.061 148 V CA 1.686 63.787 62.300 -0.333 0.000 1.064 148 V CB -0.924 30.610 31.823 -0.481 0.000 0.670 148 V HN 0.763 nan 8.190 nan 0.000 0.461 149 S N -0.309 115.314 115.700 -0.128 0.000 2.522 149 S HA 0.224 4.694 4.470 -0.000 0.000 0.227 149 S C 1.556 176.201 174.600 0.075 0.000 0.986 149 S CA 0.867 59.056 58.200 -0.018 0.000 0.929 149 S CB 0.562 63.757 63.200 -0.009 0.000 0.769 149 S HN 1.197 nan 8.310 nan 0.000 0.529 150 G N -0.177 108.624 108.800 0.003 0.000 2.143 150 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.175 150 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.175 150 G C -0.216 174.754 174.900 0.116 0.000 1.004 150 G CA -0.194 44.936 45.100 0.050 0.000 0.671 150 G HN 0.611 nan 8.290 nan 0.000 0.512 151 V N 2.040 121.997 119.914 0.072 0.000 2.350 151 V HA 0.557 4.677 4.120 -0.000 0.000 0.276 151 V C 1.432 177.582 176.094 0.093 0.000 1.028 151 V CA 0.624 62.981 62.300 0.095 0.000 0.860 151 V CB 1.289 33.144 31.823 0.055 0.000 0.990 151 V HN 0.622 nan 8.190 nan 0.000 0.453 152 T N -0.059 114.568 114.554 0.120 0.000 3.040 152 T HA 0.148 4.498 4.350 -0.000 0.000 0.250 152 T C 0.633 175.420 174.700 0.145 0.000 1.058 152 T CA 0.010 62.180 62.100 0.116 0.000 0.988 152 T CB 0.228 69.162 68.868 0.110 0.000 0.993 152 T HN 0.524 nan 8.240 nan 0.000 0.519 153 T N 2.169 116.819 114.554 0.161 0.000 2.886 153 T HA 0.694 5.044 4.350 -0.000 0.000 0.292 153 T C -1.077 173.725 174.700 0.171 0.000 1.012 153 T CA -0.615 61.605 62.100 0.200 0.000 0.982 153 T CB 1.831 70.829 68.868 0.216 0.000 1.018 153 T HN 0.199 nan 8.240 nan 0.000 0.451 154 M N 2.965 122.697 119.600 0.221 0.000 2.204 154 M HA 0.546 5.026 4.480 -0.000 0.000 0.293 154 M C -1.212 175.225 176.300 0.228 0.000 0.994 154 M CA -0.821 54.586 55.300 0.177 0.000 0.925 154 M CB 2.306 35.036 32.600 0.218 0.000 1.577 154 M HN 0.234 nan 8.290 nan 0.000 0.439 155 V N 2.282 122.236 119.914 0.067 0.000 2.555 155 V HA 1.027 5.146 4.120 -0.000 0.000 0.302 155 V C 0.258 176.338 176.094 -0.022 0.000 1.038 155 V CA -0.182 62.144 62.300 0.042 0.000 0.887 155 V CB 1.730 33.441 31.823 -0.186 0.000 0.991 155 V HN 1.070 nan 8.190 nan 0.000 0.434 156 G N 2.649 111.493 108.800 0.074 0.000 2.336 156 G HA2 0.638 4.598 3.960 -0.000 0.000 0.286 156 G HA3 0.638 4.598 3.960 -0.000 0.000 0.286 156 G C -0.650 174.338 174.900 0.147 0.000 1.269 156 G CA 0.136 45.210 45.100 -0.043 0.000 0.873 156 G HN 1.162 nan 8.290 nan 0.000 0.494 157 G N -2.056 106.788 108.800 0.074 0.000 2.692 157 G HA2 1.013 4.973 3.960 -0.000 0.000 0.291 157 G HA3 1.013 4.973 3.960 -0.000 0.000 0.291 157 G C -0.220 174.843 174.900 0.272 0.000 1.423 157 G CA 0.451 45.719 45.100 0.280 0.000 0.843 157 G HN 2.295 nan 8.290 nan 0.000 0.486 158 G N -1.785 107.188 108.800 0.289 0.000 2.352 158 G HA2 0.532 4.492 3.960 -0.000 0.000 0.302 158 G HA3 0.532 4.492 3.960 -0.000 0.000 0.302 158 G C 0.121 175.082 174.900 0.103 0.000 1.370 158 G CA 0.949 46.166 45.100 0.194 0.000 0.918 158 G HN 1.754 nan 8.290 nan 0.000 0.610 159 T N -3.068 111.474 114.554 -0.021 0.000 3.087 159 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 159 T C 1.218 175.894 174.700 -0.040 0.000 0.956 159 T CA 1.240 63.264 62.100 -0.126 0.000 0.894 159 T CB 0.527 69.048 68.868 -0.577 0.000 1.160 159 T HN 2.714 nan 8.240 nan 0.000 0.532 160 G N 2.370 111.174 108.800 0.006 0.000 2.298 160 G HA2 0.188 4.148 3.960 -0.000 0.000 0.309 160 G HA3 0.188 4.148 3.960 -0.000 0.000 0.309 160 G C -3.011 171.852 174.900 -0.062 0.000 1.279 160 G CA -0.463 44.647 45.100 0.018 0.000 1.042 160 G HN 0.066 nan 8.290 nan 0.000 0.480 161 P HA 0.485 nan 4.420 nan 0.000 0.235 161 P C -0.072 177.014 177.300 -0.357 0.000 1.765 161 P CA 1.002 64.007 63.100 -0.158 0.000 1.034 161 P CB 0.159 31.915 31.700 0.093 0.000 1.984 162 A N 1.582 124.080 122.820 -0.537 0.000 2.380 162 A HA 0.661 4.981 4.320 -0.000 0.000 0.315 162 A C 1.505 178.829 177.584 -0.434 0.000 1.101 162 A CA -0.212 51.620 52.037 -0.340 0.000 0.771 162 A CB 1.266 20.169 19.000 -0.161 0.000 1.287 162 A HN 0.220 nan 8.150 nan 0.000 0.436 163 A N 1.234 123.981 122.820 -0.122 0.000 1.903 163 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 163 A C 2.184 179.728 177.584 -0.066 0.000 1.191 163 A CA 2.880 54.912 52.037 -0.008 0.000 0.638 163 A CB -1.355 17.644 19.000 -0.002 0.000 0.823 163 A HN 1.696 nan 8.150 nan 0.000 0.451 164 G N -1.708 107.068 108.800 -0.040 0.000 2.440 164 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 164 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 164 G C 1.560 176.509 174.900 0.081 0.000 1.154 164 G CA 1.673 46.809 45.100 0.059 0.000 0.767 164 G HN 0.462 nan 8.290 nan 0.000 0.552 165 T N -0.029 114.531 114.554 0.009 0.000 2.942 165 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 165 T C 2.113 176.873 174.700 0.100 0.000 1.062 165 T CA 0.931 63.062 62.100 0.051 0.000 1.139 165 T CB -0.258 68.592 68.868 -0.030 0.000 0.883 165 T HN 0.288 nan 8.240 nan 0.000 0.468 166 H N 1.282 120.349 119.070 -0.005 0.000 2.352 166 H HA 0.107 4.663 4.556 -0.000 0.000 0.299 166 H C 2.458 177.675 175.328 -0.185 0.000 1.097 166 H CA 1.407 57.388 56.048 -0.111 0.000 1.311 166 H CB -0.507 29.193 29.762 -0.103 0.000 1.377 166 H HN 0.415 nan 8.280 nan 0.000 0.504 167 A N 0.239 123.058 122.820 -0.001 0.000 1.984 167 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 167 A C 1.354 178.843 177.584 -0.158 0.000 1.173 167 A CA 1.133 53.099 52.037 -0.118 0.000 0.673 167 A CB -0.040 18.820 19.000 -0.234 0.000 0.830 167 A HN 0.479 nan 8.150 nan 0.000 0.453 168 T N -3.440 111.076 114.554 -0.063 0.000 2.901 168 T HA 0.461 4.811 4.350 -0.000 0.000 0.293 168 T C -0.150 174.546 174.700 -0.007 0.000 1.084 168 T CA 0.201 62.203 62.100 -0.163 0.000 1.008 168 T CB 1.365 70.133 68.868 -0.168 0.000 1.170 168 T HN 0.275 nan 8.240 nan 0.000 0.509 169 T N -0.217 114.251 114.554 -0.143 0.000 3.591 169 T HA 0.470 4.820 4.350 -0.000 0.000 0.232 169 T C 0.023 174.756 174.700 0.054 0.000 1.116 169 T CA -0.667 61.325 62.100 -0.181 0.000 1.063 169 T CB -1.811 66.923 68.868 -0.224 0.000 1.227 169 T HN 0.699 nan 8.240 nan 0.000 0.685 170 C N 1.638 121.003 119.300 0.109 0.000 2.455 170 C HA 0.648 5.108 4.460 -0.000 0.000 0.320 170 C C 0.556 175.587 174.990 0.069 0.000 1.226 170 C CA -0.811 58.263 59.018 0.094 0.000 1.569 170 C CB 1.332 29.115 27.740 0.070 0.000 2.200 170 C HN 0.640 nan 8.230 nan 0.000 0.491 171 T N 4.281 118.868 114.554 0.054 0.000 2.929 171 T HA 0.287 4.637 4.350 -0.000 0.000 0.331 171 T C -2.690 172.025 174.700 0.024 0.000 1.120 171 T CA -0.787 61.343 62.100 0.051 0.000 0.973 171 T CB 0.311 69.236 68.868 0.094 0.000 1.036 171 T HN 0.419 nan 8.240 nan 0.000 0.502 172 P HA 0.333 nan 4.420 nan 0.000 0.264 172 P C 0.766 178.130 177.300 0.106 0.000 1.236 172 P CA 0.821 63.904 63.100 -0.029 0.000 0.811 172 P CB 0.033 31.682 31.700 -0.084 0.000 0.840 173 G N 5.507 114.338 108.800 0.052 0.000 2.846 173 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.660 173 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.660 173 G C -1.991 172.981 174.900 0.120 0.000 1.464 173 G CA -0.810 44.341 45.100 0.085 0.000 0.891 173 G HN 0.241 nan 8.290 nan 0.000 0.552 174 P HA -0.145 nan 4.420 nan 0.000 0.216 174 P C 1.650 179.007 177.300 0.094 0.000 1.157 174 P CA 2.301 65.449 63.100 0.081 0.000 0.880 174 P CB -0.008 31.736 31.700 0.074 0.000 0.791 175 W N -1.181 120.093 121.300 -0.043 0.000 2.380 175 W HA -0.194 4.466 4.660 -0.000 0.000 0.317 175 W C 2.207 178.659 176.519 -0.112 0.000 1.196 175 W CA 1.453 58.731 57.345 -0.112 0.000 1.307 175 W CB -1.133 28.209 29.460 -0.197 0.000 1.157 175 W HN -0.107 nan 8.180 nan 0.000 0.483 176 Y N 0.232 120.646 120.300 0.191 0.000 2.293 176 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 176 Y C 2.316 178.167 175.900 -0.082 0.000 1.137 176 Y CA 1.660 59.779 58.100 0.032 0.000 1.202 176 Y CB -0.881 37.667 38.460 0.147 0.000 0.990 176 Y HN -0.041 nan 8.280 nan 0.000 0.537 177 I N -1.262 119.370 120.570 0.103 0.000 2.179 177 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 177 I C 2.265 178.346 176.117 -0.061 0.000 1.088 177 I CA 1.563 62.880 61.300 0.029 0.000 1.357 177 I CB -0.494 37.526 38.000 0.035 0.000 1.051 177 I HN 0.027 nan 8.210 nan 0.000 0.409 178 S N 0.238 115.863 115.700 -0.125 0.000 2.399 178 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 178 S C 2.044 176.487 174.600 -0.262 0.000 1.022 178 S CA 1.177 59.264 58.200 -0.188 0.000 0.983 178 S CB -0.255 62.810 63.200 -0.225 0.000 0.803 178 S HN 0.274 nan 8.310 nan 0.000 0.480 179 R N 1.027 121.307 120.500 -0.367 0.000 2.075 179 R HA 0.184 4.524 4.340 -0.000 0.000 0.232 179 R C 2.255 178.429 176.300 -0.210 0.000 1.126 179 R CA 1.172 57.042 56.100 -0.383 0.000 0.963 179 R CB -0.384 29.580 30.300 -0.560 0.000 0.858 179 R HN 0.278 nan 8.270 nan 0.000 0.435 180 M N -0.061 119.454 119.600 -0.142 0.000 2.229 180 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 180 M C 2.044 178.236 176.300 -0.180 0.000 1.063 180 M CA 1.330 56.537 55.300 -0.156 0.000 1.114 180 M CB -0.663 31.863 32.600 -0.125 0.000 1.387 180 M HN 0.162 nan 8.290 nan 0.000 0.420 181 L N -0.499 120.638 121.223 -0.143 0.000 2.093 181 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 181 L C 2.521 179.306 176.870 -0.141 0.000 1.085 181 L CA 1.203 55.966 54.840 -0.128 0.000 0.755 181 L CB -0.530 41.471 42.059 -0.097 0.000 0.904 181 L HN 0.386 nan 8.230 nan 0.000 0.435 182 Q N -0.372 119.337 119.800 -0.151 0.000 2.079 182 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 182 Q C 2.394 178.316 176.000 -0.130 0.000 0.974 182 Q CA 1.499 57.217 55.803 -0.142 0.000 0.840 182 Q CB -0.213 28.435 28.738 -0.150 0.000 0.898 182 Q HN 0.536 nan 8.270 nan 0.000 0.430 183 A N 1.004 123.737 122.820 -0.144 0.000 2.015 183 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 183 A C 2.250 179.743 177.584 -0.153 0.000 1.163 183 A CA 1.326 53.281 52.037 -0.136 0.000 0.646 183 A CB -0.578 18.331 19.000 -0.152 0.000 0.806 183 A HN 0.385 nan 8.150 nan 0.000 0.448 184 A N 0.061 122.769 122.820 -0.187 0.000 1.972 184 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 184 A C 1.680 179.207 177.584 -0.095 0.000 1.169 184 A CA 1.765 53.688 52.037 -0.190 0.000 0.635 184 A CB -0.523 18.361 19.000 -0.192 0.000 0.810 184 A HN 0.423 nan 8.150 nan 0.000 0.446 185 D N 0.031 120.390 120.400 -0.068 0.000 2.265 185 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 185 D C 1.846 178.235 176.300 0.147 0.000 0.977 185 D CA 1.445 55.456 54.000 0.018 0.000 0.871 185 D CB -0.131 40.615 40.800 -0.090 0.000 0.925 185 D HN 0.418 nan 8.370 nan 0.000 0.485 186 S N -0.489 115.240 115.700 0.047 0.000 2.562 186 S HA 0.098 4.568 4.470 -0.000 0.000 0.221 186 S C 0.957 175.557 174.600 -0.001 0.000 0.975 186 S CA -0.022 58.198 58.200 0.032 0.000 0.918 186 S CB 0.486 63.685 63.200 -0.001 0.000 0.772 186 S HN 0.188 nan 8.310 nan 0.000 0.531 187 L N 2.883 124.096 121.223 -0.016 0.000 2.309 187 L HA 0.341 4.681 4.340 -0.000 0.000 0.282 187 L C -1.823 175.056 176.870 0.014 0.000 1.036 187 L CA -2.196 52.637 54.840 -0.012 0.000 0.806 187 L CB 1.045 43.073 42.059 -0.052 0.000 1.220 187 L HN -0.145 nan 8.230 nan 0.000 0.429 188 P HA -0.009 nan 4.420 nan 0.000 0.258 188 P C -0.262 177.068 177.300 0.050 0.000 1.319 188 P CA 0.372 63.490 63.100 0.029 0.000 0.785 188 P CB -0.066 31.646 31.700 0.020 0.000 1.252 189 V N -3.796 116.160 119.914 0.070 0.000 3.074 189 V HA 0.551 4.671 4.120 -0.000 0.000 0.314 189 V C -0.222 175.932 176.094 0.099 0.000 1.117 189 V CA -1.448 60.913 62.300 0.102 0.000 1.014 189 V CB 1.656 33.572 31.823 0.156 0.000 1.057 189 V HN -0.205 nan 8.190 nan 0.000 0.438 190 N N 1.590 120.366 118.700 0.127 0.000 2.518 190 N HA 0.580 5.320 4.740 -0.000 0.000 0.266 190 N C -0.738 174.912 175.510 0.234 0.000 1.196 190 N CA 0.147 53.270 53.050 0.121 0.000 0.947 190 N CB 1.267 39.891 38.487 0.229 0.000 1.098 190 N HN 0.718 nan 8.380 nan 0.000 0.450 191 I N -0.219 120.465 120.570 0.191 0.000 2.730 191 I HA 0.535 4.705 4.170 -0.000 0.000 0.298 191 I C 0.248 176.585 176.117 0.366 0.000 1.089 191 I CA -0.884 60.582 61.300 0.278 0.000 1.041 191 I CB 2.533 40.597 38.000 0.107 0.000 1.235 191 I HN 0.433 nan 8.210 nan 0.000 0.423 192 G N 5.503 114.524 108.800 0.369 0.000 2.740 192 G HA2 0.671 4.631 3.960 -0.000 0.000 0.296 192 G HA3 0.671 4.631 3.960 -0.000 0.000 0.296 192 G C -1.392 173.656 174.900 0.248 0.000 1.439 192 G CA -0.461 44.827 45.100 0.313 0.000 1.066 192 G HN 0.375 nan 8.290 nan 0.000 0.527 193 L N 1.287 122.627 121.223 0.195 0.000 2.360 193 L HA 0.632 4.972 4.340 -0.000 0.000 0.271 193 L C -0.136 176.824 176.870 0.149 0.000 1.057 193 L CA -0.930 54.026 54.840 0.193 0.000 0.803 193 L CB 1.752 43.893 42.059 0.136 0.000 1.207 193 L HN 0.221 nan 8.230 nan 0.000 0.445 194 L N 0.905 122.217 121.223 0.148 0.000 2.346 194 L HA 0.650 4.990 4.340 -0.000 0.000 0.276 194 L C 0.401 177.324 176.870 0.088 0.000 1.006 194 L CA -0.453 54.454 54.840 0.113 0.000 0.817 194 L CB 1.822 43.952 42.059 0.119 0.000 1.272 194 L HN 0.678 nan 8.230 nan 0.000 0.421 195 G N 1.051 109.883 108.800 0.053 0.000 2.613 195 G HA2 0.309 4.269 3.960 -0.000 0.000 0.303 195 G HA3 0.309 4.269 3.960 -0.000 0.000 0.303 195 G C -1.007 173.877 174.900 -0.027 0.000 1.312 195 G CA -0.582 44.527 45.100 0.016 0.000 1.036 195 G HN 0.507 nan 8.290 nan 0.000 0.513 196 K N 0.087 120.423 120.400 -0.106 0.000 2.310 196 K HA 0.291 4.611 4.320 -0.000 0.000 0.290 196 K C 1.011 177.527 176.600 -0.140 0.000 1.077 196 K CA -0.038 56.120 56.287 -0.215 0.000 0.922 196 K CB 0.473 32.684 32.500 -0.482 0.000 1.057 196 K HN 0.451 nan 8.250 nan 0.000 0.479 197 G N 3.523 112.280 108.800 -0.072 0.000 3.042 197 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.212 197 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.212 197 G C -0.067 174.819 174.900 -0.024 0.000 1.166 197 G CA -0.328 44.750 45.100 -0.037 0.000 0.767 197 G HN 0.618 nan 8.290 nan 0.000 0.546 198 N N 0.835 119.514 118.700 -0.034 0.000 2.739 198 N HA 0.425 5.165 4.740 -0.000 0.000 0.266 198 N C -0.978 174.530 175.510 -0.004 0.000 1.168 198 N CA 0.119 53.183 53.050 0.022 0.000 1.055 198 N CB 1.304 39.869 38.487 0.129 0.000 1.393 198 N HN 0.025 nan 8.380 nan 0.000 0.514 199 V N -0.790 119.122 119.914 -0.003 0.000 3.098 199 V HA 0.291 4.411 4.120 -0.000 0.000 0.294 199 V C 0.194 176.288 176.094 0.000 0.000 1.351 199 V CA -0.950 61.347 62.300 -0.006 0.000 0.999 199 V CB 2.014 33.822 31.823 -0.025 0.000 1.104 199 V HN 0.263 nan 8.190 nan 0.000 0.438 200 S N 0.853 116.555 115.700 0.004 0.000 2.582 200 S HA 0.175 4.645 4.470 -0.000 0.000 0.234 200 S C 0.168 174.768 174.600 -0.000 0.000 0.961 200 S CA 0.035 58.237 58.200 0.003 0.000 0.953 200 S CB -0.055 63.150 63.200 0.007 0.000 0.800 200 S HN 0.826 nan 8.310 nan 0.000 0.471 201 Q N 1.410 121.208 119.800 -0.003 0.000 2.339 201 Q HA 0.424 4.764 4.340 -0.000 0.000 0.268 201 Q C -2.492 173.504 176.000 -0.007 0.000 1.027 201 Q CA -1.995 53.805 55.803 -0.004 0.000 0.759 201 Q CB 1.606 30.341 28.738 -0.004 0.000 1.244 201 Q HN -0.112 nan 8.270 nan 0.000 0.464 202 P HA -0.176 nan 4.420 nan 0.000 0.215 202 P C 0.220 177.516 177.300 -0.007 0.000 1.157 202 P CA 1.334 64.430 63.100 -0.007 0.000 0.874 202 P CB 0.332 32.029 31.700 -0.006 0.000 0.790 203 D N -0.723 119.674 120.400 -0.006 0.000 2.182 203 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 203 D C 1.898 178.194 176.300 -0.006 0.000 0.986 203 D CA 1.551 55.548 54.000 -0.005 0.000 0.847 203 D CB -0.532 40.266 40.800 -0.003 0.000 0.942 203 D HN 0.115 nan 8.370 nan 0.000 0.467 204 A N 0.255 123.070 122.820 -0.009 0.000 2.067 204 A HA -0.075 4.244 4.320 -0.000 0.000 0.219 204 A C 2.320 179.894 177.584 -0.017 0.000 1.158 204 A CA 0.722 52.751 52.037 -0.014 0.000 0.661 204 A CB -0.360 18.628 19.000 -0.020 0.000 0.801 204 A HN 0.204 nan 8.150 nan 0.000 0.452 205 L N -1.791 119.423 121.223 -0.015 0.000 2.221 205 L HA 0.007 4.347 4.340 -0.000 0.000 0.202 205 L C 2.692 179.558 176.870 -0.007 0.000 1.074 205 L CA 0.523 55.354 54.840 -0.015 0.000 0.795 205 L CB -0.459 41.590 42.059 -0.015 0.000 0.960 205 L HN 0.265 nan 8.230 nan 0.000 0.458 206 R N 0.538 121.035 120.500 -0.004 0.000 2.091 206 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 206 R C 2.095 178.396 176.300 0.003 0.000 1.136 206 R CA 1.535 57.635 56.100 -0.001 0.000 0.959 206 R CB -0.331 29.968 30.300 -0.001 0.000 0.856 206 R HN 0.443 nan 8.270 nan 0.000 0.437 207 E N 0.665 120.866 120.200 0.002 0.000 2.085 207 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 207 E C 2.170 178.776 176.600 0.010 0.000 0.994 207 E CA 1.302 57.706 56.400 0.007 0.000 0.801 207 E CB -0.010 29.694 29.700 0.007 0.000 0.743 207 E HN 0.444 nan 8.360 nan 0.000 0.453 208 Q N 0.161 119.965 119.800 0.008 0.000 2.046 208 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 208 Q C 2.423 178.433 176.000 0.018 0.000 0.975 208 Q CA 1.371 57.182 55.803 0.013 0.000 0.836 208 Q CB -0.018 28.722 28.738 0.004 0.000 0.896 208 Q HN 0.165 nan 8.270 nan 0.000 0.428 209 V N 1.105 121.028 119.914 0.015 0.000 2.343 209 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 209 V C 2.253 178.359 176.094 0.020 0.000 1.051 209 V CA 1.799 64.111 62.300 0.020 0.000 1.036 209 V CB -0.971 30.861 31.823 0.016 0.000 0.654 209 V HN 0.381 nan 8.190 nan 0.000 0.451 210 A N -0.161 122.668 122.820 0.014 0.000 2.067 210 A HA 0.036 4.356 4.320 -0.000 0.000 0.219 210 A C 2.306 179.896 177.584 0.011 0.000 1.158 210 A CA 1.669 53.713 52.037 0.012 0.000 0.661 210 A CB -0.492 18.513 19.000 0.008 0.000 0.801 210 A HN 0.567 nan 8.150 nan 0.000 0.452 211 A N -2.115 120.712 122.820 0.013 0.000 2.067 211 A HA 0.406 4.726 4.320 -0.000 0.000 0.217 211 A C 1.740 179.328 177.584 0.007 0.000 1.156 211 A CA 1.642 53.684 52.037 0.008 0.000 0.683 211 A CB -0.343 18.665 19.000 0.013 0.000 0.808 211 A HN 1.564 nan 8.150 nan 0.000 0.455 212 G N -1.730 107.081 108.800 0.019 0.000 2.935 212 G HA2 0.034 3.994 3.960 -0.000 0.000 0.213 212 G HA3 0.034 3.994 3.960 -0.000 0.000 0.213 212 G C 0.313 175.243 174.900 0.050 0.000 0.984 212 G CA 0.040 45.156 45.100 0.028 0.000 0.790 212 G HN 1.351 nan 8.290 nan 0.000 0.538 213 V N 1.273 121.218 119.914 0.051 0.000 2.740 213 V HA 0.568 4.688 4.120 -0.000 0.000 0.303 213 V C 1.716 177.858 176.094 0.080 0.000 1.054 213 V CA 0.195 62.537 62.300 0.070 0.000 1.106 213 V CB 1.080 32.940 31.823 0.061 0.000 0.957 213 V HN 0.812 nan 8.190 nan 0.000 0.486 214 I N 0.569 121.203 120.570 0.106 0.000 3.883 214 I HA 0.716 4.886 4.170 -0.000 0.000 0.326 214 I C 0.680 176.865 176.117 0.114 0.000 1.283 214 I CA 0.441 61.808 61.300 0.113 0.000 1.161 214 I CB -0.177 37.905 38.000 0.138 0.000 1.012 214 I HN 0.865 nan 8.210 nan 0.000 0.421 215 G N 1.168 110.030 108.800 0.104 0.000 2.550 215 G HA2 0.630 4.590 3.960 -0.000 0.000 0.293 215 G HA3 0.630 4.590 3.960 -0.000 0.000 0.293 215 G C -1.935 173.001 174.900 0.061 0.000 1.402 215 G CA -0.747 44.409 45.100 0.093 0.000 0.784 215 G HN 0.079 nan 8.290 nan 0.000 0.482 216 L N 0.115 121.357 121.223 0.031 0.000 2.409 216 L HA 0.509 4.849 4.340 -0.000 0.000 0.272 216 L C -0.406 176.466 176.870 0.002 0.000 0.980 216 L CA -0.840 54.007 54.840 0.013 0.000 0.826 216 L CB 2.166 44.221 42.059 -0.007 0.000 1.268 216 L HN 0.659 nan 8.230 nan 0.000 0.407 217 C N 5.070 124.390 119.300 0.034 0.000 2.285 217 C HA 0.628 5.088 4.460 -0.000 0.000 0.335 217 C C -0.024 175.021 174.990 0.091 0.000 1.267 217 C CA -0.478 58.577 59.018 0.060 0.000 1.762 217 C CB -0.357 27.487 27.740 0.172 0.000 2.365 217 C HN 0.594 nan 8.230 nan 0.000 0.527 218 I N 7.301 127.909 120.570 0.063 0.000 2.307 218 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 218 I C 0.394 176.627 176.117 0.192 0.000 1.021 218 I CA 0.393 61.755 61.300 0.105 0.000 1.224 218 I CB 0.242 38.263 38.000 0.034 0.000 1.376 218 I HN 0.665 nan 8.210 nan 0.000 0.470 219 H N 5.878 125.058 119.070 0.184 0.000 2.572 219 H HA 0.234 4.790 4.556 -0.000 0.000 0.359 219 H C 0.737 176.095 175.328 0.049 0.000 1.134 219 H CA -0.399 55.726 56.048 0.128 0.000 1.187 219 H CB 1.881 31.742 29.762 0.166 0.000 1.597 219 H HN 0.812 nan 8.280 nan 0.000 0.524 220 E N 2.229 122.318 120.200 -0.185 0.000 2.209 220 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 220 E C 0.162 176.768 176.600 0.009 0.000 0.993 220 E CA 1.606 57.961 56.400 -0.075 0.000 0.819 220 E CB 0.160 29.766 29.700 -0.157 0.000 0.745 220 E HN 0.485 nan 8.360 nan 0.000 0.477 221 D N 0.281 120.732 120.400 0.085 0.000 2.218 221 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 221 D C 0.733 176.883 176.300 -0.249 0.000 0.976 221 D CA 0.960 54.864 54.000 -0.160 0.000 0.853 221 D CB -0.258 40.329 40.800 -0.355 0.000 0.939 221 D HN 0.486 nan 8.370 nan 0.000 0.481 222 W N 0.471 121.807 121.300 0.060 0.000 3.278 222 W HA 0.381 5.041 4.660 0.000 0.000 0.308 222 W C 0.652 177.185 176.519 0.024 0.000 1.253 222 W CA 0.142 57.507 57.345 0.033 0.000 1.759 222 W CB 0.711 30.192 29.460 0.037 0.000 1.093 222 W HN -0.056 nan 8.180 nan 0.000 0.648 223 G N 1.146 110.055 108.800 0.182 0.000 2.860 223 G HA2 0.088 4.048 3.960 -0.000 0.000 0.547 223 G HA3 0.088 4.048 3.960 -0.000 0.000 0.547 223 G C -0.285 174.672 174.900 0.095 0.000 1.103 223 G CA -0.648 44.517 45.100 0.108 0.000 1.126 223 G HN 0.409 nan 8.290 nan 0.000 0.490 224 A N 2.460 125.313 122.820 0.055 0.000 3.091 224 A HA 0.683 5.003 4.320 -0.000 0.000 0.264 224 A C 1.242 178.844 177.584 0.031 0.000 1.673 224 A CA 0.808 52.871 52.037 0.042 0.000 1.362 224 A CB -0.502 18.507 19.000 0.015 0.000 1.137 224 A HN 2.009 nan 8.150 nan 0.000 0.617 225 T N -2.100 112.475 114.554 0.036 0.000 2.899 225 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 225 T C -1.852 172.865 174.700 0.027 0.000 1.004 225 T CA -1.662 60.456 62.100 0.029 0.000 1.043 225 T CB 1.070 69.952 68.868 0.024 0.000 1.013 225 T HN 0.095 nan 8.240 nan 0.000 0.518 226 P HA -0.061 nan 4.420 nan 0.000 0.216 226 P C 1.629 178.935 177.300 0.010 0.000 1.150 226 P CA 1.413 64.523 63.100 0.016 0.000 0.837 226 P CB -0.241 31.465 31.700 0.010 0.000 0.786 227 A N -0.163 122.663 122.820 0.010 0.000 1.902 227 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 227 A C 2.301 179.890 177.584 0.009 0.000 1.181 227 A CA 2.049 54.091 52.037 0.008 0.000 0.623 227 A CB -1.547 17.458 19.000 0.009 0.000 0.818 227 A HN 0.198 nan 8.150 nan 0.000 0.443 228 A N -0.104 122.725 122.820 0.015 0.000 1.873 228 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 228 A C 2.127 179.716 177.584 0.010 0.000 1.186 228 A CA 1.379 53.426 52.037 0.017 0.000 0.616 228 A CB -0.587 18.433 19.000 0.032 0.000 0.823 228 A HN 0.472 nan 8.150 nan 0.000 0.442 229 I N -0.110 120.466 120.570 0.010 0.000 2.127 229 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 229 I C 2.367 178.479 176.117 -0.008 0.000 1.075 229 I CA 2.029 63.329 61.300 0.000 0.000 1.334 229 I CB -0.414 37.588 38.000 0.003 0.000 1.040 229 I HN 0.406 nan 8.210 nan 0.000 0.405 230 D N 0.164 120.561 120.400 -0.005 0.000 2.117 230 D HA -0.234 4.406 4.640 -0.000 0.000 0.197 230 D C 2.290 178.585 176.300 -0.009 0.000 0.987 230 D CA 1.269 55.264 54.000 -0.008 0.000 0.829 230 D CB -0.209 40.588 40.800 -0.005 0.000 0.961 230 D HN 0.396 nan 8.370 nan 0.000 0.460 231 C N -0.012 119.284 119.300 -0.006 0.000 2.432 231 C HA 0.089 4.549 4.460 -0.000 0.000 0.277 231 C C 2.883 177.866 174.990 -0.011 0.000 1.249 231 C CA 1.509 60.523 59.018 -0.007 0.000 1.725 231 C CB -1.457 26.280 27.740 -0.004 0.000 2.028 231 C HN 0.435 nan 8.230 nan 0.000 0.477 232 A N 0.005 122.817 122.820 -0.013 0.000 1.933 232 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 232 A C 2.145 179.715 177.584 -0.023 0.000 1.175 232 A CA 1.658 53.684 52.037 -0.018 0.000 0.628 232 A CB -0.657 18.331 19.000 -0.019 0.000 0.814 232 A HN 0.665 nan 8.150 nan 0.000 0.444 233 L N -0.777 120.432 121.223 -0.025 0.000 2.141 233 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 233 L C 2.696 179.552 176.870 -0.023 0.000 1.094 233 L CA 1.490 56.312 54.840 -0.029 0.000 0.763 233 L CB -0.606 41.435 42.059 -0.031 0.000 0.908 233 L HN 0.338 nan 8.230 nan 0.000 0.437 234 T N -0.732 113.812 114.554 -0.018 0.000 2.737 234 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 234 T C 1.980 176.671 174.700 -0.014 0.000 1.038 234 T CA 1.351 63.442 62.100 -0.014 0.000 1.144 234 T CB -0.148 68.713 68.868 -0.011 0.000 0.866 234 T HN 0.055 nan 8.240 nan 0.000 0.434 235 V N 1.755 121.661 119.914 -0.013 0.000 2.427 235 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 235 V C 2.892 178.978 176.094 -0.013 0.000 1.051 235 V CA 1.498 63.791 62.300 -0.011 0.000 1.048 235 V CB -1.251 30.566 31.823 -0.010 0.000 0.666 235 V HN 0.512 nan 8.190 nan 0.000 0.456 236 A N 0.056 122.865 122.820 -0.018 0.000 1.883 236 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 236 A C 2.009 179.580 177.584 -0.022 0.000 1.186 236 A CA 2.191 54.215 52.037 -0.022 0.000 0.624 236 A CB -0.723 18.257 19.000 -0.033 0.000 0.822 236 A HN 0.512 nan 8.150 nan 0.000 0.444 237 D N -0.328 120.059 120.400 -0.022 0.000 2.182 237 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 237 D C 1.985 178.276 176.300 -0.016 0.000 0.986 237 D CA 1.610 55.598 54.000 -0.021 0.000 0.847 237 D CB -0.228 40.560 40.800 -0.019 0.000 0.942 237 D HN 0.897 nan 8.370 nan 0.000 0.467 238 E N -0.702 119.490 120.200 -0.013 0.000 2.400 238 E HA 0.038 4.388 4.350 -0.000 0.000 0.195 238 E C 1.568 178.163 176.600 -0.008 0.000 1.012 238 E CA 0.199 56.593 56.400 -0.010 0.000 0.875 238 E CB -0.001 29.694 29.700 -0.008 0.000 0.859 238 E HN 0.200 nan 8.360 nan 0.000 0.498 239 M N 0.870 120.465 119.600 -0.007 0.000 2.333 239 M HA 0.136 4.616 4.480 -0.000 0.000 0.257 239 M C -0.285 176.014 176.300 -0.002 0.000 1.078 239 M CA -0.050 55.248 55.300 -0.003 0.000 1.005 239 M CB 0.387 32.988 32.600 0.001 0.000 1.444 239 M HN -0.102 nan 8.290 nan 0.000 0.496 240 D N 3.009 123.403 120.400 -0.009 0.000 2.746 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.241 240 D C -1.080 175.217 176.300 -0.006 0.000 1.140 240 D CA 0.611 54.604 54.000 -0.013 0.000 0.707 240 D CB -0.830 39.962 40.800 -0.013 0.000 1.034 240 D HN 0.531 nan 8.370 nan 0.000 0.423 241 I N -2.405 118.160 120.570 -0.008 0.000 3.042 241 I HA 0.712 4.882 4.170 -0.000 0.000 0.310 241 I C -0.064 176.037 176.117 -0.027 0.000 1.117 241 I CA -1.183 60.119 61.300 0.002 0.000 1.003 241 I CB 1.577 39.589 38.000 0.019 0.000 1.228 241 I HN -0.114 nan 8.210 nan 0.000 0.443 242 Q N 1.657 121.437 119.800 -0.034 0.000 2.205 242 Q HA 0.734 5.074 4.340 -0.000 0.000 0.249 242 Q C -1.443 174.509 176.000 -0.080 0.000 0.948 242 Q CA -0.604 55.132 55.803 -0.110 0.000 0.895 242 Q CB 1.911 30.471 28.738 -0.296 0.000 1.249 242 Q HN 0.653 nan 8.270 nan 0.000 0.458 243 V N 1.936 121.778 119.914 -0.120 0.000 2.495 243 V HA 0.845 4.965 4.120 -0.000 0.000 0.298 243 V C -0.843 175.117 176.094 -0.223 0.000 1.031 243 V CA -0.674 61.552 62.300 -0.123 0.000 0.871 243 V CB 1.517 33.280 31.823 -0.100 0.000 0.988 243 V HN 0.843 nan 8.190 nan 0.000 0.432 244 A N 5.159 127.793 122.820 -0.310 0.000 2.304 244 A HA 0.846 5.166 4.320 -0.000 0.000 0.314 244 A C -1.141 176.077 177.584 -0.610 0.000 1.187 244 A CA -0.442 51.156 52.037 -0.733 0.000 0.810 244 A CB 1.092 19.494 19.000 -0.997 0.000 1.183 244 A HN 0.768 nan 8.150 nan 0.000 0.487 245 L N 2.108 122.967 121.223 -0.606 0.000 2.334 245 L HA 0.591 4.931 4.340 -0.000 0.000 0.276 245 L C -0.381 176.408 176.870 -0.135 0.000 1.014 245 L CA -0.193 54.485 54.840 -0.270 0.000 0.815 245 L CB 1.504 43.466 42.059 -0.161 0.000 1.268 245 L HN 0.770 nan 8.230 nan 0.000 0.428 246 H N 3.055 122.077 119.070 -0.081 0.000 2.854 246 H HA 0.484 5.040 4.556 -0.000 0.000 0.275 246 H C -0.360 174.884 175.328 -0.139 0.000 1.198 246 H CA -0.398 55.621 56.048 -0.049 0.000 1.489 246 H CB 0.747 30.423 29.762 -0.143 0.000 1.519 246 H HN 0.840 nan 8.280 nan 0.000 0.503 247 S N 2.451 118.196 115.700 0.074 0.000 2.587 247 S HA -0.091 4.379 4.470 -0.000 0.000 0.260 247 S C 0.424 174.951 174.600 -0.122 0.000 1.353 247 S CA -0.675 57.520 58.200 -0.008 0.000 0.995 247 S CB 0.879 64.103 63.200 0.039 0.000 0.912 247 S HN 0.748 nan 8.310 nan 0.000 0.568 248 D N 0.420 120.611 120.400 -0.349 0.000 2.346 248 D HA 0.157 4.797 4.640 -0.000 0.000 0.267 248 D C 0.957 176.907 176.300 -0.582 0.000 1.320 248 D CA 0.186 53.936 54.000 -0.417 0.000 0.951 248 D CB 0.165 40.764 40.800 -0.336 0.000 1.079 248 D HN 0.542 nan 8.370 nan 0.000 0.509 249 T N 3.844 118.254 114.554 -0.241 0.000 2.904 249 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 249 T C 1.823 176.486 174.700 -0.062 0.000 1.059 249 T CA 0.640 62.662 62.100 -0.129 0.000 1.137 249 T CB 0.018 68.861 68.868 -0.041 0.000 0.879 249 T HN 0.433 nan 8.240 nan 0.000 0.467 250 L N 0.910 122.096 121.223 -0.063 0.000 2.552 250 L HA 0.118 4.458 4.340 -0.000 0.000 0.227 250 L C 0.593 177.475 176.870 0.019 0.000 1.146 250 L CA 0.065 54.899 54.840 -0.011 0.000 0.858 250 L CB -0.587 41.459 42.059 -0.022 0.000 0.969 250 L HN 0.225 nan 8.230 nan 0.000 0.451 251 N N 0.252 118.969 118.700 0.027 0.000 2.741 251 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 251 N C 1.125 176.585 175.510 -0.084 0.000 1.115 251 N CA 1.269 54.355 53.050 0.060 0.000 0.724 251 N CB -1.056 37.504 38.487 0.122 0.000 1.090 251 N HN 0.586 nan 8.380 nan 0.000 0.558 252 E N 0.667 120.837 120.200 -0.050 0.000 2.051 252 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 252 E C 1.471 178.029 176.600 -0.070 0.000 0.991 252 E CA 1.833 58.200 56.400 -0.056 0.000 0.799 252 E CB 0.095 29.773 29.700 -0.036 0.000 0.748 252 E HN 0.539 nan 8.360 nan 0.000 0.449 253 S N -1.194 114.478 115.700 -0.047 0.000 2.535 253 S HA 0.402 4.872 4.470 -0.000 0.000 0.214 253 S C 0.585 175.138 174.600 -0.078 0.000 0.980 253 S CA 0.016 58.191 58.200 -0.043 0.000 0.907 253 S CB 1.242 64.439 63.200 -0.005 0.000 0.790 253 S HN 0.450 nan 8.310 nan 0.000 0.510 254 G N 0.177 108.896 108.800 -0.134 0.000 2.341 254 G HA2 0.378 4.338 3.960 -0.000 0.000 0.293 254 G HA3 0.378 4.338 3.960 -0.000 0.000 0.293 254 G C -1.280 173.440 174.900 -0.300 0.000 1.298 254 G CA -1.078 43.859 45.100 -0.272 0.000 0.868 254 G HN 0.092 nan 8.290 nan 0.000 0.540 255 F N -0.986 118.914 119.950 -0.084 0.000 2.377 255 F HA 0.591 5.118 4.527 -0.000 0.000 0.335 255 F C 1.888 177.211 175.800 -0.796 0.000 1.099 255 F CA 0.089 57.928 58.000 -0.269 0.000 1.072 255 F CB 0.856 39.781 39.000 -0.125 0.000 1.417 255 F HN 0.327 nan 8.300 nan 0.000 0.495 256 V N 1.458 120.981 119.914 -0.651 0.000 2.380 256 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 256 V C 2.238 178.181 176.094 -0.252 0.000 1.063 256 V CA 2.469 64.413 62.300 -0.594 0.000 1.055 256 V CB -0.613 31.108 31.823 -0.171 0.000 0.657 256 V HN 0.821 nan 8.190 nan 0.000 0.455 257 E N -0.929 119.204 120.200 -0.111 0.000 2.204 257 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 257 E C 1.635 178.208 176.600 -0.045 0.000 0.990 257 E CA 1.783 58.157 56.400 -0.043 0.000 0.821 257 E CB -0.646 29.061 29.700 0.012 0.000 0.750 257 E HN 0.705 nan 8.360 nan 0.000 0.477 258 D N 0.797 121.161 120.400 -0.060 0.000 2.162 258 D HA -0.051 4.589 4.640 -0.000 0.000 0.203 258 D C 1.698 177.976 176.300 -0.038 0.000 0.967 258 D CA 1.420 55.397 54.000 -0.039 0.000 0.840 258 D CB 0.037 40.812 40.800 -0.040 0.000 0.972 258 D HN 0.195 nan 8.370 nan 0.000 0.482 259 T N 1.809 116.326 114.554 -0.060 0.000 2.674 259 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 259 T C 2.304 176.981 174.700 -0.038 0.000 1.039 259 T CA 0.612 62.714 62.100 0.003 0.000 1.150 259 T CB -0.317 68.603 68.868 0.087 0.000 0.864 259 T HN 0.079 nan 8.240 nan 0.000 0.427 260 L N 0.797 121.970 121.223 -0.085 0.000 2.079 260 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 260 L C 2.974 179.796 176.870 -0.080 0.000 1.081 260 L CA 1.285 56.046 54.840 -0.131 0.000 0.752 260 L CB -0.645 41.288 42.059 -0.209 0.000 0.896 260 L HN 0.247 nan 8.230 nan 0.000 0.433 261 A N -0.125 122.667 122.820 -0.046 0.000 1.898 261 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 261 A C 2.540 180.112 177.584 -0.019 0.000 1.181 261 A CA 1.571 53.595 52.037 -0.021 0.000 0.620 261 A CB -0.646 18.348 19.000 -0.009 0.000 0.819 261 A HN 0.390 nan 8.150 nan 0.000 0.442 262 A N 0.021 122.830 122.820 -0.018 0.000 1.933 262 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 262 A C 2.061 179.633 177.584 -0.019 0.000 1.175 262 A CA 1.416 53.445 52.037 -0.013 0.000 0.628 262 A CB -0.611 18.386 19.000 -0.004 0.000 0.814 262 A HN 0.500 nan 8.150 nan 0.000 0.444 263 I N -0.426 120.125 120.570 -0.031 0.000 2.335 263 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 263 I C 1.786 177.884 176.117 -0.031 0.000 1.129 263 I CA 0.975 62.251 61.300 -0.040 0.000 1.402 263 I CB -0.702 37.260 38.000 -0.064 0.000 1.069 263 I HN 0.493 nan 8.210 nan 0.000 0.424 264 G N 1.082 109.867 108.800 -0.025 0.000 2.323 264 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.292 264 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.292 264 G C 0.977 175.873 174.900 -0.008 0.000 1.040 264 G CA 0.427 45.520 45.100 -0.012 0.000 0.942 264 G HN 0.929 nan 8.290 nan 0.000 0.506 265 G N -1.715 107.081 108.800 -0.006 0.000 2.166 265 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 265 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 265 G C 0.567 175.463 174.900 -0.007 0.000 0.986 265 G CA 1.161 46.266 45.100 0.007 0.000 0.683 265 G HN 1.035 nan 8.290 nan 0.000 0.527 266 R N 0.257 120.745 120.500 -0.021 0.000 2.500 266 R HA 0.479 4.819 4.340 -0.000 0.000 0.275 266 R C 0.468 176.745 176.300 -0.038 0.000 1.051 266 R CA -0.126 55.957 56.100 -0.028 0.000 1.088 266 R CB 0.476 30.758 30.300 -0.030 0.000 1.063 266 R HN 0.143 nan 8.270 nan 0.000 0.511 267 T N 2.856 117.384 114.554 -0.043 0.000 2.908 267 T HA 0.182 4.532 4.350 -0.000 0.000 0.301 267 T C 0.128 174.784 174.700 -0.074 0.000 1.019 267 T CA 0.523 62.589 62.100 -0.057 0.000 1.152 267 T CB -0.040 68.790 68.868 -0.063 0.000 0.966 267 T HN 0.376 nan 8.240 nan 0.000 0.540 268 I N 1.875 122.397 120.570 -0.080 0.000 2.787 268 I HA 0.239 4.409 4.170 -0.000 0.000 0.294 268 I C -0.790 175.280 176.117 -0.078 0.000 1.365 268 I CA -0.873 60.369 61.300 -0.097 0.000 1.029 268 I CB 2.135 40.075 38.000 -0.099 0.000 1.313 268 I HN 0.748 nan 8.210 nan 0.000 0.431 269 H N 5.564 124.480 119.070 -0.258 0.000 2.594 269 H HA 0.433 4.989 4.556 -0.000 0.000 0.304 269 H C -0.906 174.210 175.328 -0.353 0.000 1.068 269 H CA -0.536 55.339 56.048 -0.288 0.000 1.308 269 H CB 0.986 30.547 29.762 -0.335 0.000 1.409 269 H HN 0.600 nan 8.280 nan 0.000 0.460 270 T N 3.335 117.880 114.554 -0.015 0.000 2.743 270 T HA 0.218 4.568 4.350 -0.000 0.000 0.293 270 T C -0.176 174.463 174.700 -0.100 0.000 0.945 270 T CA -0.778 61.230 62.100 -0.153 0.000 1.030 270 T CB 0.389 69.199 68.868 -0.096 0.000 0.912 270 T HN 0.205 nan 8.240 nan 0.000 0.483 271 F N 2.040 121.812 119.950 -0.298 0.000 2.389 271 F HA 0.297 4.824 4.527 -0.000 0.000 0.337 271 F C 1.454 177.132 175.800 -0.203 0.000 1.112 271 F CA -0.914 56.858 58.000 -0.379 0.000 1.192 271 F CB -0.230 38.495 39.000 -0.459 0.000 1.185 271 F HN 0.838 nan 8.300 nan 0.000 0.552 272 H N -0.065 119.064 119.070 0.099 0.000 2.415 272 H HA -0.181 4.375 4.556 -0.000 0.000 0.323 272 H C 1.248 176.524 175.328 -0.086 0.000 1.035 272 H CA 0.578 56.621 56.048 -0.008 0.000 1.098 272 H CB -1.565 28.160 29.762 -0.062 0.000 1.575 272 H HN 0.629 nan 8.280 nan 0.000 0.387 273 T N -0.800 113.684 114.554 -0.117 0.000 2.946 273 T HA -0.219 4.131 4.350 -0.000 0.000 0.271 273 T C 1.891 176.600 174.700 0.015 0.000 1.104 273 T CA 1.374 63.358 62.100 -0.193 0.000 1.114 273 T CB 0.070 68.601 68.868 -0.562 0.000 0.867 273 T HN 0.630 nan 8.240 nan 0.000 0.513 274 E N 0.570 120.846 120.200 0.126 0.000 2.208 274 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 274 E C 1.902 178.568 176.600 0.109 0.000 0.988 274 E CA 1.085 57.642 56.400 0.262 0.000 0.828 274 E CB -0.170 29.724 29.700 0.323 0.000 0.763 274 E HN 0.568 nan 8.360 nan 0.000 0.478 275 G N 0.335 109.167 108.800 0.054 0.000 2.493 275 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.206 275 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.206 275 G C 1.420 176.269 174.900 -0.085 0.000 1.109 275 G CA 0.695 45.780 45.100 -0.025 0.000 0.689 275 G HN 0.583 nan 8.290 nan 0.000 0.516 276 A N 0.769 123.554 122.820 -0.059 0.000 1.893 276 A HA 0.108 4.428 4.320 -0.000 0.000 0.222 276 A C 2.655 180.123 177.584 -0.194 0.000 1.309 276 A CA 3.104 55.088 52.037 -0.089 0.000 0.681 276 A CB -1.263 17.720 19.000 -0.029 0.000 0.842 276 A HN 1.983 nan 8.150 nan 0.000 0.468 277 G N -1.536 107.023 108.800 -0.400 0.000 3.327 277 G HA2 0.502 4.462 3.960 -0.000 0.000 0.240 277 G HA3 0.502 4.462 3.960 -0.000 0.000 0.240 277 G C 0.574 174.986 174.900 -0.813 0.000 1.222 277 G CA 0.757 45.395 45.100 -0.770 0.000 0.871 277 G HN 1.761 nan 8.290 nan 0.000 0.525 278 G N -1.984 106.539 108.800 -0.462 0.000 2.379 278 G HA2 0.585 4.545 3.960 -0.000 0.000 0.609 278 G HA3 0.585 4.545 3.960 -0.000 0.000 0.609 278 G C -0.210 174.489 174.900 -0.334 0.000 1.484 278 G CA -0.056 44.812 45.100 -0.387 0.000 0.921 278 G HN 1.899 nan 8.290 nan 0.000 0.658 279 G N 0.294 109.000 108.800 -0.156 0.000 2.335 279 G HA2 0.444 4.403 3.960 -0.000 0.000 0.592 279 G HA3 0.444 4.403 3.960 -0.000 0.000 0.592 279 G C -0.473 174.404 174.900 -0.039 0.000 1.442 279 G CA -0.330 44.718 45.100 -0.086 0.000 0.976 279 G HN 1.448 nan 8.290 nan 0.000 0.652 280 H N 0.437 119.513 119.070 0.010 0.000 3.243 280 H HA 0.245 4.801 4.556 -0.000 0.000 0.267 280 H C 1.313 176.650 175.328 0.014 0.000 0.875 280 H CA 1.350 57.419 56.048 0.036 0.000 1.413 280 H CB 0.331 30.131 29.762 0.064 0.000 1.459 280 H HN 0.967 nan 8.280 nan 0.000 0.536 281 A N 7.250 130.128 122.820 0.096 0.000 2.484 281 A HA 0.160 4.480 4.320 -0.000 0.000 0.268 281 A C -1.422 176.183 177.584 0.036 0.000 1.114 281 A CA -0.841 51.202 52.037 0.010 0.000 0.780 281 A CB 0.260 19.258 19.000 -0.004 0.000 1.061 281 A HN 0.578 nan 8.150 nan 0.000 0.505 282 P HA 0.158 nan 4.420 nan 0.000 0.331 282 P C -0.567 176.693 177.300 -0.068 0.000 1.438 282 P CA 0.043 63.044 63.100 -0.165 0.000 1.357 282 P CB 0.791 32.184 31.700 -0.512 0.000 1.643 283 D N -0.221 120.183 120.400 0.006 0.000 2.491 283 D HA 0.031 4.671 4.640 -0.000 0.000 0.228 283 D C 1.282 177.614 176.300 0.053 0.000 1.183 283 D CA -0.561 53.456 54.000 0.027 0.000 0.827 283 D CB -0.235 40.577 40.800 0.019 0.000 0.989 283 D HN 0.022 nan 8.370 nan 0.000 0.494 284 I N 0.632 121.243 120.570 0.068 0.000 2.454 284 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 284 I C 1.790 177.952 176.117 0.075 0.000 1.156 284 I CA 0.653 61.999 61.300 0.077 0.000 1.433 284 I CB -0.191 37.851 38.000 0.070 0.000 1.082 284 I HN 0.150 nan 8.210 nan 0.000 0.432 285 I N 0.460 121.087 120.570 0.096 0.000 2.399 285 I HA -0.346 3.824 4.170 -0.000 0.000 0.254 285 I C 2.165 178.379 176.117 0.162 0.000 1.146 285 I CA 1.914 63.315 61.300 0.168 0.000 1.412 285 I CB -0.366 37.732 38.000 0.162 0.000 1.076 285 I HN 0.508 nan 8.210 nan 0.000 0.432 286 T N -1.316 113.305 114.554 0.113 0.000 2.977 286 T HA -0.022 4.328 4.350 -0.000 0.000 0.271 286 T C 1.867 176.677 174.700 0.184 0.000 1.105 286 T CA 0.784 62.958 62.100 0.123 0.000 1.116 286 T CB -0.506 68.422 68.868 0.101 0.000 0.878 286 T HN 0.419 nan 8.240 nan 0.000 0.509 287 A N 1.411 124.316 122.820 0.142 0.000 1.978 287 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 287 A C 2.667 180.374 177.584 0.205 0.000 1.170 287 A CA 1.456 53.570 52.037 0.128 0.000 0.636 287 A CB -1.617 17.384 19.000 0.002 0.000 0.810 287 A HN 1.033 nan 8.150 nan 0.000 0.448 288 C N -1.723 117.690 119.300 0.188 0.000 2.460 288 C HA 0.405 4.865 4.460 -0.000 0.000 0.291 288 C C 2.182 177.255 174.990 0.139 0.000 1.493 288 C CA 0.072 59.202 59.018 0.187 0.000 1.748 288 C CB -1.866 26.078 27.740 0.339 0.000 1.656 288 C HN 0.643 nan 8.230 nan 0.000 0.576 289 A N -1.056 121.851 122.820 0.144 0.000 2.267 289 A HA 0.233 4.553 4.320 -0.000 0.000 0.213 289 A C 0.780 178.306 177.584 -0.096 0.000 1.192 289 A CA -0.075 51.966 52.037 0.006 0.000 0.851 289 A CB -0.484 18.483 19.000 -0.056 0.000 0.881 289 A HN 0.843 nan 8.150 nan 0.000 0.494 290 H N 0.215 119.290 119.070 0.009 0.000 2.487 290 H HA 0.171 4.727 4.556 -0.000 0.000 0.333 290 H C -1.626 173.697 175.328 -0.007 0.000 1.114 290 H CA -1.507 54.540 56.048 -0.001 0.000 1.310 290 H CB 1.448 31.207 29.762 -0.005 0.000 1.462 290 H HN 0.144 nan 8.280 nan 0.000 0.516 291 P HA -0.149 nan 4.420 nan 0.000 0.219 291 P C 0.831 178.149 177.300 0.029 0.000 1.150 291 P CA 1.142 64.263 63.100 0.035 0.000 0.814 291 P CB 0.362 32.072 31.700 0.016 0.000 0.787 292 N N -0.339 118.387 118.700 0.044 0.000 2.412 292 N HA -0.004 4.736 4.740 -0.000 0.000 0.184 292 N C 0.412 175.916 175.510 -0.010 0.000 1.101 292 N CA 0.278 53.333 53.050 0.008 0.000 0.881 292 N CB -0.218 38.272 38.487 0.004 0.000 0.969 292 N HN 0.121 nan 8.380 nan 0.000 0.459 293 I N 1.954 122.532 120.570 0.012 0.000 2.331 293 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 293 I C 0.004 176.102 176.117 -0.031 0.000 0.998 293 I CA -0.750 60.542 61.300 -0.014 0.000 1.267 293 I CB 1.271 39.276 38.000 0.008 0.000 1.386 293 I HN -0.050 nan 8.210 nan 0.000 0.476 294 L N 8.778 129.963 121.223 -0.064 0.000 2.297 294 L HA 0.381 4.721 4.340 -0.000 0.000 0.277 294 L C -2.284 174.517 176.870 -0.114 0.000 1.040 294 L CA -1.562 53.212 54.840 -0.110 0.000 0.867 294 L CB 1.065 43.023 42.059 -0.169 0.000 1.244 294 L HN 0.331 nan 8.230 nan 0.000 0.433 295 P HA 0.291 nan 4.420 nan 0.000 0.288 295 P C -0.827 176.330 177.300 -0.240 0.000 1.267 295 P CA -0.304 62.676 63.100 -0.200 0.000 0.815 295 P CB 1.933 33.453 31.700 -0.300 0.000 0.989 296 S N 1.124 116.707 115.700 -0.196 0.000 2.595 296 S HA 0.744 5.214 4.470 -0.000 0.000 0.281 296 S C -0.622 173.905 174.600 -0.121 0.000 1.117 296 S CA -0.678 57.479 58.200 -0.071 0.000 0.873 296 S CB 1.308 64.613 63.200 0.176 0.000 1.108 296 S HN 0.340 nan 8.310 nan 0.000 0.477 297 S N 0.991 116.741 115.700 0.084 0.000 2.568 297 S HA 0.837 5.307 4.470 -0.000 0.000 0.293 297 S C -0.151 174.544 174.600 0.158 0.000 1.089 297 S CA -0.722 57.587 58.200 0.182 0.000 0.945 297 S CB 1.841 65.351 63.200 0.516 0.000 1.077 297 S HN 1.039 nan 8.310 nan 0.000 0.485 298 T N -0.114 114.523 114.554 0.138 0.000 2.912 298 T HA 0.325 4.675 4.350 -0.000 0.000 0.280 298 T C 1.059 175.798 174.700 0.064 0.000 0.989 298 T CA -0.673 61.466 62.100 0.065 0.000 0.995 298 T CB 0.467 69.356 68.868 0.035 0.000 1.077 298 T HN 0.578 nan 8.240 nan 0.000 0.531 299 N N 0.581 119.285 118.700 0.006 0.000 2.354 299 N HA 0.004 4.744 4.740 -0.000 0.000 0.179 299 N C -0.695 174.820 175.510 0.008 0.000 1.021 299 N CA 0.294 53.340 53.050 -0.006 0.000 0.887 299 N CB -1.552 36.906 38.487 -0.047 0.000 0.974 299 N HN 0.488 nan 8.380 nan 0.000 0.437 300 P HA -0.058 nan 4.420 nan 0.000 0.228 300 P C 0.381 177.708 177.300 0.045 0.000 1.151 300 P CA 1.346 64.454 63.100 0.013 0.000 0.770 300 P CB -0.125 31.577 31.700 0.003 0.000 0.786 301 T N -3.999 110.599 114.554 0.074 0.000 3.054 301 T HA 0.253 4.603 4.350 -0.000 0.000 0.255 301 T C 0.725 175.498 174.700 0.122 0.000 1.035 301 T CA -0.204 61.959 62.100 0.105 0.000 0.941 301 T CB -0.270 68.671 68.868 0.121 0.000 1.026 301 T HN -0.021 nan 8.240 nan 0.000 0.533 302 L N 3.719 124.996 121.223 0.089 0.000 2.262 302 L HA 0.517 4.857 4.340 -0.000 0.000 0.288 302 L C -2.490 174.417 176.870 0.061 0.000 1.035 302 L CA -2.198 52.689 54.840 0.079 0.000 0.820 302 L CB 1.587 43.663 42.059 0.028 0.000 1.204 302 L HN 0.044 nan 8.230 nan 0.000 0.424 303 P HA 0.113 nan 4.420 nan 0.000 0.287 303 P C -1.225 176.182 177.300 0.177 0.000 1.292 303 P CA -0.822 62.358 63.100 0.134 0.000 0.879 303 P CB 1.212 32.987 31.700 0.125 0.000 1.214 304 Y N 1.896 122.234 120.300 0.063 0.000 2.802 304 Y HA 0.162 4.712 4.550 -0.000 0.000 0.351 304 Y C 0.334 176.264 175.900 0.049 0.000 1.237 304 Y CA 0.493 58.626 58.100 0.055 0.000 1.599 304 Y CB -0.987 37.506 38.460 0.056 0.000 1.214 304 Y HN 0.356 nan 8.280 nan 0.000 0.520 305 T N 1.981 116.484 114.554 -0.086 0.000 2.841 305 T HA 0.387 4.737 4.350 -0.000 0.000 0.276 305 T C 1.117 175.680 174.700 -0.229 0.000 1.003 305 T CA -0.807 61.192 62.100 -0.168 0.000 0.995 305 T CB 0.823 69.665 68.868 -0.044 0.000 1.260 305 T HN 0.549 nan 8.240 nan 0.000 0.581 306 L N 0.438 121.569 121.223 -0.152 0.000 2.141 306 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 306 L C 2.091 178.932 176.870 -0.048 0.000 1.094 306 L CA 1.032 55.805 54.840 -0.112 0.000 0.763 306 L CB -0.403 41.612 42.059 -0.073 0.000 0.908 306 L HN 0.649 nan 8.230 nan 0.000 0.437 307 N N -1.410 117.275 118.700 -0.025 0.000 2.254 307 N HA 0.042 4.782 4.740 -0.000 0.000 0.190 307 N C 0.695 176.217 175.510 0.020 0.000 1.107 307 N CA 0.096 53.146 53.050 0.000 0.000 0.869 307 N CB 0.249 38.735 38.487 -0.001 0.000 0.983 307 N HN 0.191 nan 8.380 nan 0.000 0.487 340 E N 0.876 121.036 120.200 -0.068 0.000 2.058 340 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 340 E C 1.667 178.200 176.600 -0.111 0.000 0.997 340 E CA 2.744 59.101 56.400 -0.073 0.000 0.801 340 E CB -0.263 29.457 29.700 0.034 0.000 0.746 340 E HN 0.610 nan 8.360 nan 0.000 0.450 341 T N -0.939 113.569 114.554 -0.077 0.000 2.915 341 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 341 T C 1.969 176.618 174.700 -0.085 0.000 1.071 341 T CA 0.829 62.891 62.100 -0.063 0.000 1.132 341 T CB -0.350 68.493 68.868 -0.042 0.000 0.878 341 T HN 0.068 nan 8.240 nan 0.000 0.479 342 I N 1.629 122.109 120.570 -0.150 0.000 2.315 342 I HA -0.045 4.125 4.170 -0.000 0.000 0.248 342 I C 3.161 179.109 176.117 -0.282 0.000 1.117 342 I CA 1.090 62.293 61.300 -0.162 0.000 1.404 342 I CB -0.560 37.347 38.000 -0.155 0.000 1.071 342 I HN 0.339 nan 8.210 nan 0.000 0.419 343 A N 0.794 123.295 122.820 -0.530 0.000 1.929 343 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 343 A C 2.546 180.047 177.584 -0.137 0.000 1.176 343 A CA 1.549 53.325 52.037 -0.433 0.000 0.628 343 A CB -0.628 18.096 19.000 -0.460 0.000 0.816 343 A HN 0.403 nan 8.150 nan 0.000 0.444 344 A N -0.210 122.531 122.820 -0.131 0.000 1.898 344 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 344 A C 2.010 179.511 177.584 -0.139 0.000 1.181 344 A CA 1.695 53.668 52.037 -0.107 0.000 0.620 344 A CB -0.556 18.384 19.000 -0.101 0.000 0.819 344 A HN 0.661 nan 8.150 nan 0.000 0.442 345 E N 0.047 120.188 120.200 -0.097 0.000 2.070 345 E HA -0.302 4.048 4.350 -0.000 0.000 0.197 345 E C 1.273 177.884 176.600 0.017 0.000 1.004 345 E CA 1.771 58.129 56.400 -0.070 0.000 0.805 345 E CB -0.229 29.572 29.700 0.168 0.000 0.744 345 E HN 0.545 nan 8.360 nan 0.000 0.451 346 D N -0.119 120.340 120.400 0.098 0.000 2.149 346 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 346 D C 2.045 178.421 176.300 0.126 0.000 0.990 346 D CA 1.075 55.175 54.000 0.166 0.000 0.839 346 D CB -0.172 40.727 40.800 0.165 0.000 0.948 346 D HN 0.124 nan 8.370 nan 0.000 0.460 347 V N 0.735 120.668 119.914 0.031 0.000 2.323 347 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 347 V C 2.580 178.633 176.094 -0.067 0.000 1.041 347 V CA 0.996 63.300 62.300 0.007 0.000 1.025 347 V CB -0.500 31.313 31.823 -0.018 0.000 0.656 347 V HN 0.190 nan 8.190 nan 0.000 0.451 348 L N -0.719 120.364 121.223 -0.234 0.000 2.187 348 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 348 L C 2.429 179.082 176.870 -0.362 0.000 1.100 348 L CA 1.723 56.304 54.840 -0.432 0.000 0.765 348 L CB -0.719 40.763 42.059 -0.962 0.000 0.904 348 L HN 0.438 nan 8.230 nan 0.000 0.437 349 H N -1.091 117.858 119.070 -0.200 0.000 2.333 349 H HA -0.164 4.392 4.556 -0.000 0.000 0.302 349 H C 1.961 177.194 175.328 -0.159 0.000 1.075 349 H CA 1.520 57.498 56.048 -0.117 0.000 1.348 349 H CB 0.195 29.939 29.762 -0.030 0.000 1.393 349 H HN 0.186 nan 8.280 nan 0.000 0.509 350 D N -0.026 120.459 120.400 0.142 0.000 2.178 350 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 350 D C 1.578 177.949 176.300 0.117 0.000 0.980 350 D CA 0.755 54.885 54.000 0.217 0.000 0.842 350 D CB 0.015 40.965 40.800 0.249 0.000 0.948 350 D HN 0.322 nan 8.370 nan 0.000 0.472 351 L N -1.450 119.800 121.223 0.044 0.000 2.558 351 L HA 0.228 4.568 4.340 -0.000 0.000 0.225 351 L C 1.578 178.468 176.870 0.033 0.000 1.128 351 L CA 0.476 55.340 54.840 0.040 0.000 0.868 351 L CB 0.020 42.078 42.059 -0.001 0.000 1.006 351 L HN 0.235 nan 8.230 nan 0.000 0.454 352 G N -0.285 108.510 108.800 -0.007 0.000 2.136 352 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.242 352 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.242 352 G C 0.908 175.811 174.900 0.004 0.000 0.989 352 G CA 0.396 45.498 45.100 0.003 0.000 0.682 352 G HN 0.411 nan 8.290 nan 0.000 0.522 353 A N -0.874 121.927 122.820 -0.033 0.000 2.021 353 A HA 0.604 4.924 4.320 -0.000 0.000 0.216 353 A C 0.644 178.336 177.584 0.180 0.000 1.163 353 A CA 0.820 52.866 52.037 0.015 0.000 0.676 353 A CB 0.032 18.991 19.000 -0.069 0.000 0.818 353 A HN 0.550 nan 8.150 nan 0.000 0.453 354 F N -0.101 119.703 119.950 -0.243 0.000 2.427 354 F HA 0.442 4.969 4.527 -0.000 0.000 0.346 354 F C 1.099 176.751 175.800 -0.248 0.000 1.120 354 F CA -1.485 56.303 58.000 -0.353 0.000 1.033 354 F CB 1.673 40.164 39.000 -0.848 0.000 1.126 354 F HN -0.018 nan 8.300 nan 0.000 0.462 355 S N 2.362 118.067 115.700 0.008 0.000 2.503 355 S HA 0.265 4.735 4.470 -0.000 0.000 0.215 355 S C 0.062 174.671 174.600 0.015 0.000 1.003 355 S CA 0.150 58.347 58.200 -0.004 0.000 0.910 355 S CB 0.329 63.502 63.200 -0.044 0.000 0.790 355 S HN 0.249 nan 8.310 nan 0.000 0.514 356 L N 1.520 122.771 121.223 0.046 0.000 2.371 356 L HA 0.549 4.889 4.340 -0.000 0.000 0.262 356 L C -0.172 176.811 176.870 0.189 0.000 1.006 356 L CA -0.318 54.564 54.840 0.070 0.000 0.818 356 L CB 1.963 44.004 42.059 -0.029 0.000 1.354 356 L HN 0.022 nan 8.230 nan 0.000 0.415 357 T N -1.846 112.794 114.554 0.143 0.000 2.861 357 T HA 0.908 5.258 4.350 -0.000 0.000 0.287 357 T C -0.342 174.414 174.700 0.093 0.000 1.003 357 T CA -0.576 61.590 62.100 0.110 0.000 0.977 357 T CB 1.702 70.572 68.868 0.003 0.000 0.996 357 T HN 0.691 nan 8.240 nan 0.000 0.448 358 S N 1.167 116.915 115.700 0.079 0.000 2.794 358 S HA 0.715 5.185 4.470 -0.000 0.000 0.299 358 S C 0.981 175.569 174.600 -0.019 0.000 1.179 358 S CA -0.104 58.133 58.200 0.062 0.000 0.838 358 S CB 1.278 64.570 63.200 0.154 0.000 1.206 358 S HN 1.059 nan 8.310 nan 0.000 0.523 359 S N -0.264 115.388 115.700 -0.080 0.000 2.517 359 S HA 0.215 4.685 4.470 -0.000 0.000 0.228 359 S C 0.250 174.685 174.600 -0.276 0.000 1.060 359 S CA 1.083 59.195 58.200 -0.147 0.000 0.937 359 S CB -0.767 62.354 63.200 -0.132 0.000 0.840 359 S HN 1.120 nan 8.310 nan 0.000 0.546 360 D N 1.917 122.018 120.400 -0.498 0.000 2.760 360 D HA -0.135 4.505 4.640 -0.000 0.000 0.244 360 D C -0.276 175.889 176.300 -0.226 0.000 1.096 360 D CA 0.711 54.272 54.000 -0.731 0.000 0.716 360 D CB -1.893 38.441 40.800 -0.776 0.000 1.075 360 D HN 0.695 nan 8.370 nan 0.000 0.434 361 S N 0.750 116.360 115.700 -0.151 0.000 2.784 361 S HA -0.007 4.463 4.470 -0.000 0.000 0.322 361 S C 0.985 175.506 174.600 -0.131 0.000 1.234 361 S CA 0.875 59.003 58.200 -0.120 0.000 1.064 361 S CB 0.962 64.075 63.200 -0.144 0.000 0.787 361 S HN 0.484 nan 8.310 nan 0.000 0.506 362 Q N 0.362 120.076 119.800 -0.144 0.000 2.450 362 Q HA -0.289 4.051 4.340 -0.000 0.000 0.255 362 Q C 0.383 176.229 176.000 -0.258 0.000 1.003 362 Q CA 1.039 56.746 55.803 -0.160 0.000 1.097 362 Q CB -1.986 26.692 28.738 -0.100 0.000 1.544 362 Q HN 1.244 nan 8.270 nan 0.000 0.531 363 A N -0.202 122.425 122.820 -0.322 0.000 3.165 363 A HA 0.567 4.887 4.320 -0.000 0.000 0.212 363 A C 0.503 177.978 177.584 -0.181 0.000 0.935 363 A CA 0.263 52.075 52.037 -0.376 0.000 1.100 363 A CB 0.591 19.039 19.000 -0.920 0.000 1.260 363 A HN 0.321 nan 8.150 nan 0.000 0.532 364 M N -1.715 117.807 119.600 -0.129 0.000 3.149 364 M HA -0.124 4.356 4.480 -0.000 0.000 0.249 364 M C 0.199 176.465 176.300 -0.057 0.000 0.474 364 M CA 0.668 55.926 55.300 -0.069 0.000 0.948 364 M CB -1.434 31.146 32.600 -0.034 0.000 3.359 364 M HN 1.123 nan 8.290 nan 0.000 0.345 365 G N 0.600 109.342 108.800 -0.096 0.000 2.646 365 G HA2 0.752 4.712 3.960 -0.000 0.000 0.291 365 G HA3 0.752 4.712 3.960 -0.000 0.000 0.291 365 G C -1.363 173.474 174.900 -0.105 0.000 1.445 365 G CA -0.990 44.051 45.100 -0.098 0.000 0.814 365 G HN 0.182 nan 8.290 nan 0.000 0.495 366 R N 1.221 121.664 120.500 -0.096 0.000 2.246 366 R HA 0.366 4.706 4.340 -0.000 0.000 0.332 366 R C 0.976 177.217 176.300 -0.099 0.000 0.974 366 R CA -0.705 55.337 56.100 -0.097 0.000 0.837 366 R CB 2.048 32.291 30.300 -0.095 0.000 1.145 366 R HN 0.301 nan 8.270 nan 0.000 0.467 367 V N 2.948 122.804 119.914 -0.098 0.000 2.469 367 V HA -0.151 3.969 4.120 -0.000 0.000 0.251 367 V C 1.447 177.494 176.094 -0.079 0.000 1.064 367 V CA 2.538 64.783 62.300 -0.093 0.000 1.066 367 V CB -0.092 31.679 31.823 -0.087 0.000 0.667 367 V HN 1.000 nan 8.190 nan 0.000 0.461 368 G N -1.428 107.325 108.800 -0.079 0.000 3.284 368 G HA2 0.131 4.091 3.960 -0.000 0.000 0.236 368 G HA3 0.131 4.091 3.960 -0.000 0.000 0.236 368 G C 0.797 175.652 174.900 -0.075 0.000 1.158 368 G CA 0.116 45.174 45.100 -0.070 0.000 0.774 368 G HN 0.607 nan 8.290 nan 0.000 0.545 369 E N -0.122 120.023 120.200 -0.091 0.000 2.693 369 E HA 0.133 4.483 4.350 -0.000 0.000 0.214 369 E C 1.547 178.083 176.600 -0.108 0.000 0.990 369 E CA -0.204 56.141 56.400 -0.093 0.000 1.047 369 E CB 1.104 30.743 29.700 -0.102 0.000 1.039 369 E HN 0.184 nan 8.360 nan 0.000 0.475 370 V N 1.045 120.883 119.914 -0.127 0.000 2.295 370 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 370 V C 2.143 178.066 176.094 -0.284 0.000 1.049 370 V CA 1.594 63.797 62.300 -0.161 0.000 1.024 370 V CB -0.256 31.487 31.823 -0.134 0.000 0.648 370 V HN 0.353 nan 8.190 nan 0.000 0.447 371 I N -0.447 119.896 120.570 -0.378 0.000 2.193 371 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 371 I C 2.451 178.410 176.117 -0.264 0.000 1.084 371 I CA 1.505 62.439 61.300 -0.609 0.000 1.365 371 I CB -0.373 37.315 38.000 -0.520 0.000 1.064 371 I HN 0.294 nan 8.210 nan 0.000 0.410 372 L N 1.149 122.303 121.223 -0.114 0.000 2.013 372 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 372 L C 2.797 179.666 176.870 -0.002 0.000 1.073 372 L CA 1.806 56.642 54.840 -0.007 0.000 0.753 372 L CB -0.290 41.773 42.059 0.006 0.000 0.890 372 L HN 0.173 nan 8.230 nan 0.000 0.432 373 R N -1.073 119.390 120.500 -0.061 0.000 2.148 373 R HA -0.089 4.251 4.340 -0.000 0.000 0.223 373 R C 2.102 178.357 176.300 -0.076 0.000 1.088 373 R CA 1.585 57.657 56.100 -0.046 0.000 0.985 373 R CB -0.395 29.876 30.300 -0.049 0.000 0.880 373 R HN 0.427 nan 8.270 nan 0.000 0.451 374 T N -0.201 114.242 114.554 -0.185 0.000 2.746 374 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 374 T C 1.137 175.662 174.700 -0.291 0.000 1.039 374 T CA 1.277 63.223 62.100 -0.258 0.000 1.142 374 T CB -0.169 68.476 68.868 -0.372 0.000 0.866 374 T HN 0.450 nan 8.240 nan 0.000 0.444 375 W N 1.433 122.747 121.300 0.023 0.000 2.518 375 W HA 0.078 4.738 4.660 -0.000 0.000 0.273 375 W C 2.592 179.087 176.519 -0.040 0.000 1.247 375 W CA -0.142 57.188 57.345 -0.025 0.000 1.288 375 W CB -0.211 29.249 29.460 -0.001 0.000 1.107 375 W HN 0.283 nan 8.180 nan 0.000 0.586 376 Q N 0.122 120.009 119.800 0.145 0.000 2.079 376 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 376 Q C 2.177 178.249 176.000 0.120 0.000 0.974 376 Q CA 1.709 57.578 55.803 0.110 0.000 0.840 376 Q CB -0.520 28.257 28.738 0.065 0.000 0.898 376 Q HN 0.177 nan 8.270 nan 0.000 0.430 377 V N 0.983 120.938 119.914 0.068 0.000 2.295 377 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 377 V C 2.301 178.390 176.094 -0.008 0.000 1.049 377 V CA 1.868 64.217 62.300 0.083 0.000 1.024 377 V CB -1.040 30.860 31.823 0.129 0.000 0.648 377 V HN 0.402 nan 8.190 nan 0.000 0.447 378 A N -0.302 122.352 122.820 -0.277 0.000 1.940 378 A HA -0.334 3.986 4.320 -0.000 0.000 0.219 378 A C 2.102 179.603 177.584 -0.137 0.000 1.176 378 A CA 2.552 54.228 52.037 -0.602 0.000 0.631 378 A CB -0.876 17.618 19.000 -0.843 0.000 0.814 378 A HN 0.830 nan 8.150 nan 0.000 0.446 379 H N -0.851 118.181 119.070 -0.064 0.000 2.299 379 H HA -0.046 4.510 4.556 -0.000 0.000 0.302 379 H C 2.253 177.585 175.328 0.007 0.000 1.078 379 H CA 1.752 57.796 56.048 -0.008 0.000 1.323 379 H CB -0.041 29.732 29.762 0.018 0.000 1.381 379 H HN 0.217 nan 8.280 nan 0.000 0.498 380 R N -0.098 120.433 120.500 0.052 0.000 2.105 380 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 380 R C 2.208 178.493 176.300 -0.026 0.000 1.135 380 R CA 1.327 57.434 56.100 0.011 0.000 0.967 380 R CB -0.369 30.004 30.300 0.122 0.000 0.861 380 R HN 0.488 nan 8.270 nan 0.000 0.442 381 M N 0.283 119.885 119.600 0.003 0.000 2.200 381 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 381 M C 2.114 178.414 176.300 -0.000 0.000 1.066 381 M CA 1.164 56.484 55.300 0.034 0.000 1.127 381 M CB -0.663 31.997 32.600 0.099 0.000 1.379 381 M HN 0.063 nan 8.290 nan 0.000 0.420 382 K N 0.648 121.019 120.400 -0.048 0.000 2.002 382 K HA -0.120 4.200 4.320 -0.000 0.000 0.209 382 K C 1.848 178.410 176.600 -0.064 0.000 1.048 382 K CA 1.497 57.760 56.287 -0.040 0.000 0.930 382 K CB -0.057 32.413 32.500 -0.051 0.000 0.714 382 K HN 0.074 nan 8.250 nan 0.000 0.438 383 V N 1.663 121.485 119.914 -0.153 0.000 2.282 383 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 383 V C 2.435 178.497 176.094 -0.054 0.000 1.057 383 V CA 2.144 64.363 62.300 -0.136 0.000 1.032 383 V CB -0.537 31.145 31.823 -0.235 0.000 0.645 383 V HN 0.464 nan 8.190 nan 0.000 0.447 384 Q N -0.734 119.047 119.800 -0.032 0.000 2.123 384 Q HA -0.002 4.338 4.340 -0.000 0.000 0.196 384 Q C 2.264 178.274 176.000 0.016 0.000 0.958 384 Q CA 0.929 56.735 55.803 0.004 0.000 0.841 384 Q CB 0.007 28.760 28.738 0.025 0.000 0.915 384 Q HN 0.594 nan 8.270 nan 0.000 0.455 385 R N -0.180 120.333 120.500 0.022 0.000 2.334 385 R HA 0.246 4.586 4.340 -0.000 0.000 0.212 385 R C 0.756 177.075 176.300 0.031 0.000 0.897 385 R CA 0.475 56.594 56.100 0.032 0.000 1.056 385 R CB 0.943 31.272 30.300 0.048 0.000 1.046 385 R HN 0.207 nan 8.270 nan 0.000 0.513 386 G N 1.565 110.380 108.800 0.023 0.000 2.645 386 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.239 386 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.239 386 G C -0.250 174.677 174.900 0.045 0.000 1.331 386 G CA -0.416 44.699 45.100 0.026 0.000 0.890 386 G HN 0.436 nan 8.290 nan 0.000 0.572 387 A N -0.569 122.278 122.820 0.045 0.000 2.483 387 A HA 0.578 4.898 4.320 -0.000 0.000 0.238 387 A C 0.975 178.605 177.584 0.076 0.000 1.070 387 A CA 0.330 52.405 52.037 0.063 0.000 0.770 387 A CB 0.040 19.069 19.000 0.048 0.000 1.008 387 A HN 1.201 nan 8.150 nan 0.000 0.497 388 L N 1.383 122.675 121.223 0.115 0.000 2.453 388 L HA 0.257 4.597 4.340 -0.000 0.000 0.261 388 L C 1.805 178.709 176.870 0.058 0.000 1.179 388 L CA -0.004 54.912 54.840 0.126 0.000 0.813 388 L CB 0.798 43.007 42.059 0.250 0.000 1.110 388 L HN 0.894 nan 8.230 nan 0.000 0.466 389 A N 1.191 124.026 122.820 0.025 0.000 2.070 389 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 389 A C 1.741 179.267 177.584 -0.097 0.000 1.159 389 A CA 1.361 53.383 52.037 -0.025 0.000 0.656 389 A CB -0.360 18.627 19.000 -0.022 0.000 0.800 389 A HN 0.867 nan 8.150 nan 0.000 0.453 390 E N 0.228 120.316 120.200 -0.187 0.000 2.447 390 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 390 E C 0.207 176.613 176.600 -0.323 0.000 1.028 390 E CA -0.106 56.026 56.400 -0.447 0.000 0.876 390 E CB 0.138 29.124 29.700 -1.190 0.000 0.885 390 E HN 0.417 nan 8.360 nan 0.000 0.500 391 E N 0.888 121.039 120.200 -0.082 0.000 2.442 391 E HA 0.046 4.396 4.350 -0.000 0.000 0.262 391 E C -0.323 176.276 176.600 -0.002 0.000 1.004 391 E CA 0.542 56.962 56.400 0.035 0.000 0.928 391 E CB 1.121 30.875 29.700 0.089 0.000 0.937 391 E HN -0.091 nan 8.360 nan 0.000 0.446 392 T N 1.074 115.643 114.554 0.024 0.000 2.886 392 T HA 0.589 4.939 4.350 -0.000 0.000 0.292 392 T C -0.276 174.439 174.700 0.026 0.000 1.012 392 T CA 0.454 62.562 62.100 0.012 0.000 0.982 392 T CB 1.054 69.926 68.868 0.006 0.000 1.018 392 T HN 0.707 nan 8.240 nan 0.000 0.451 393 G N 3.168 111.975 108.800 0.013 0.000 2.795 393 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.664 393 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.664 393 G C -0.489 174.413 174.900 0.004 0.000 1.381 393 G CA -0.410 44.695 45.100 0.008 0.000 0.853 393 G HN 0.702 nan 8.290 nan 0.000 0.545 394 D N 1.854 122.245 120.400 -0.014 0.000 2.896 394 D HA 0.229 4.869 4.640 -0.000 0.000 0.240 394 D C 0.742 177.023 176.300 -0.032 0.000 1.193 394 D CA 0.329 54.309 54.000 -0.033 0.000 0.983 394 D CB -0.882 39.878 40.800 -0.066 0.000 1.074 394 D HN 0.637 nan 8.370 nan 0.000 0.496 395 N N -1.144 117.565 118.700 0.015 0.000 3.039 395 N HA 0.208 4.948 4.740 -0.000 0.000 0.257 395 N C -0.686 174.874 175.510 0.084 0.000 1.497 395 N CA -0.632 52.449 53.050 0.052 0.000 0.861 395 N CB 1.223 39.742 38.487 0.055 0.000 1.479 395 N HN -0.210 nan 8.380 nan 0.000 0.547 396 D N -0.337 120.127 120.400 0.107 0.000 2.463 396 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 396 D C 0.247 176.600 176.300 0.088 0.000 1.174 396 D CA -0.189 53.874 54.000 0.105 0.000 0.829 396 D CB 0.022 40.884 40.800 0.103 0.000 0.993 396 D HN 0.370 nan 8.370 nan 0.000 0.497 397 N N 0.837 119.586 118.700 0.081 0.000 2.060 397 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 397 N C 1.392 176.942 175.510 0.067 0.000 1.028 397 N CA 0.891 53.977 53.050 0.060 0.000 0.861 397 N CB -0.412 38.115 38.487 0.066 0.000 1.029 397 N HN 0.252 nan 8.380 nan 0.000 0.428 398 F N 1.575 121.531 119.950 0.010 0.000 2.113 398 F HA -0.016 4.511 4.527 -0.000 0.000 0.297 398 F C 2.488 178.306 175.800 0.030 0.000 1.103 398 F CA 1.186 59.173 58.000 -0.022 0.000 1.248 398 F CB -0.263 38.721 39.000 -0.026 0.000 0.999 398 F HN -0.083 nan 8.300 nan 0.000 0.475 399 R N -0.019 120.501 120.500 0.034 0.000 2.105 399 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 399 R C 1.966 178.344 176.300 0.130 0.000 1.135 399 R CA 1.836 57.984 56.100 0.081 0.000 0.967 399 R CB -0.533 29.863 30.300 0.161 0.000 0.861 399 R HN 0.304 nan 8.270 nan 0.000 0.442 400 V N 1.156 121.137 119.914 0.111 0.000 2.358 400 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 400 V C 2.124 178.337 176.094 0.200 0.000 1.047 400 V CA 1.943 64.401 62.300 0.263 0.000 1.035 400 V CB -0.379 31.487 31.823 0.071 0.000 0.658 400 V HN 0.364 nan 8.190 nan 0.000 0.452 401 K N 0.020 120.383 120.400 -0.061 0.000 2.097 401 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 401 K C 2.370 178.897 176.600 -0.122 0.000 1.050 401 K CA 1.456 57.677 56.287 -0.110 0.000 0.938 401 K CB -0.244 32.098 32.500 -0.264 0.000 0.718 401 K HN 0.357 nan 8.250 nan 0.000 0.442 402 R N 0.161 120.433 120.500 -0.381 0.000 2.081 402 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 402 R C 1.712 177.932 176.300 -0.133 0.000 1.131 402 R CA 1.524 57.462 56.100 -0.270 0.000 0.960 402 R CB -0.225 29.828 30.300 -0.412 0.000 0.856 402 R HN 0.183 nan 8.270 nan 0.000 0.436 403 Y N 0.278 120.489 120.300 -0.148 0.000 2.286 403 Y HA -0.038 4.512 4.550 -0.000 0.000 0.293 403 Y C 2.138 177.821 175.900 -0.362 0.000 1.124 403 Y CA 1.126 59.070 58.100 -0.259 0.000 1.178 403 Y CB -0.055 38.150 38.460 -0.425 0.000 1.010 403 Y HN 0.082 nan 8.280 nan 0.000 0.536 404 I N -0.558 119.978 120.570 -0.056 0.000 2.394 404 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 404 I C 2.310 178.194 176.117 -0.388 0.000 1.136 404 I CA 1.133 62.294 61.300 -0.231 0.000 1.425 404 I CB -0.149 37.955 38.000 0.173 0.000 1.079 404 I HN 0.196 nan 8.210 nan 0.000 0.425 405 A N 0.659 123.401 122.820 -0.130 0.000 2.019 405 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 405 A C 2.200 179.701 177.584 -0.138 0.000 1.164 405 A CA 1.548 53.532 52.037 -0.089 0.000 0.644 405 A CB -0.457 18.543 19.000 0.001 0.000 0.805 405 A HN 0.415 nan 8.150 nan 0.000 0.449 406 K N -1.323 118.985 120.400 -0.153 0.000 2.147 406 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 406 K C 1.263 177.873 176.600 0.017 0.000 1.049 406 K CA 1.822 58.071 56.287 -0.063 0.000 0.936 406 K CB -0.290 32.182 32.500 -0.047 0.000 0.722 406 K HN 0.918 nan 8.250 nan 0.000 0.446 407 Y N -1.323 118.969 120.300 -0.012 0.000 2.584 407 Y HA 0.275 4.825 4.550 -0.000 0.000 0.254 407 Y C 1.153 177.089 175.900 0.061 0.000 1.177 407 Y CA -0.157 57.952 58.100 0.015 0.000 1.216 407 Y CB -0.254 38.204 38.460 -0.003 0.000 1.172 407 Y HN -0.059 nan 8.280 nan 0.000 0.529 408 T N -2.741 111.769 114.554 -0.074 0.000 3.409 408 T HA 0.122 4.472 4.350 -0.000 0.000 0.188 408 T C 1.339 176.058 174.700 0.031 0.000 0.929 408 T CA 0.590 62.699 62.100 0.015 0.000 1.184 408 T CB -0.791 68.066 68.868 -0.020 0.000 1.570 408 T HN 0.095 nan 8.240 nan 0.000 0.367 409 I N 3.134 123.711 120.570 0.012 0.000 2.179 409 I HA -0.063 4.107 4.170 -0.000 0.000 0.242 409 I C 1.942 178.024 176.117 -0.058 0.000 1.088 409 I CA 1.483 62.772 61.300 -0.018 0.000 1.357 409 I CB -0.816 37.113 38.000 -0.118 0.000 1.051 409 I HN 0.256 nan 8.210 nan 0.000 0.409 410 N N 0.637 119.289 118.700 -0.079 0.000 2.149 410 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 410 N C -0.805 174.670 175.510 -0.059 0.000 1.019 410 N CA 1.725 54.727 53.050 -0.081 0.000 0.857 410 N CB -1.811 36.626 38.487 -0.084 0.000 0.997 410 N HN 0.344 nan 8.380 nan 0.000 0.426 411 P HA 0.022 nan 4.420 nan 0.000 0.219 411 P C 1.044 178.366 177.300 0.036 0.000 1.150 411 P CA 1.250 64.359 63.100 0.016 0.000 0.814 411 P CB 0.002 31.734 31.700 0.054 0.000 0.787 412 A N -0.573 122.254 122.820 0.013 0.000 1.902 412 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 412 A C 2.144 179.726 177.584 -0.004 0.000 1.181 412 A CA 1.418 53.455 52.037 0.000 0.000 0.623 412 A CB -1.627 17.381 19.000 0.012 0.000 0.818 412 A HN 0.114 nan 8.150 nan 0.000 0.443 413 L N -0.972 120.237 121.223 -0.023 0.000 2.109 413 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 413 L C 2.711 179.543 176.870 -0.064 0.000 1.086 413 L CA 1.572 56.390 54.840 -0.037 0.000 0.760 413 L CB -0.781 41.242 42.059 -0.061 0.000 0.910 413 L HN 0.309 nan 8.230 nan 0.000 0.437 414 T N -2.015 112.484 114.554 -0.091 0.000 2.788 414 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 414 T C 1.436 175.970 174.700 -0.277 0.000 1.044 414 T CA 1.169 63.157 62.100 -0.187 0.000 1.139 414 T CB -0.219 68.501 68.868 -0.246 0.000 0.867 414 T HN 0.365 nan 8.240 nan 0.000 0.454 415 H N -0.436 118.590 119.070 -0.074 0.000 2.542 415 H HA 0.346 4.902 4.556 -0.000 0.000 0.283 415 H C 1.596 176.880 175.328 -0.073 0.000 1.059 415 H CA 0.314 56.322 56.048 -0.066 0.000 1.162 415 H CB 0.220 29.940 29.762 -0.070 0.000 1.539 415 H HN 0.480 nan 8.280 nan 0.000 0.543 416 G N 2.426 111.229 108.800 0.005 0.000 2.246 416 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.273 416 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.273 416 G C 0.822 175.782 174.900 0.100 0.000 1.055 416 G CA 0.720 45.842 45.100 0.036 0.000 0.851 416 G HN 0.637 nan 8.290 nan 0.000 0.500 417 I N -4.120 116.458 120.570 0.013 0.000 4.102 417 I HA 0.672 4.842 4.170 -0.000 0.000 0.325 417 I C 1.681 177.759 176.117 -0.065 0.000 1.471 417 I CA 0.303 61.533 61.300 -0.117 0.000 1.133 417 I CB 0.405 38.051 38.000 -0.590 0.000 1.184 417 I HN 0.134 nan 8.210 nan 0.000 0.451 418 A N 1.549 124.408 122.820 0.065 0.000 2.248 418 A HA -0.123 4.197 4.320 -0.000 0.000 0.210 418 A C 1.895 179.544 177.584 0.109 0.000 1.174 418 A CA 1.541 53.617 52.037 0.065 0.000 0.750 418 A CB -1.274 17.760 19.000 0.056 0.000 0.780 418 A HN 0.857 nan 8.150 nan 0.000 0.478 419 H N -3.410 115.692 119.070 0.053 0.000 2.544 419 H HA 0.267 4.823 4.556 -0.000 0.000 0.269 419 H C 1.476 176.860 175.328 0.094 0.000 0.970 419 H CA 0.791 56.878 56.048 0.064 0.000 1.219 419 H CB 0.252 30.047 29.762 0.056 0.000 1.421 419 H HN 0.346 nan 8.280 nan 0.000 0.555 420 E N 1.042 121.046 120.200 -0.326 0.000 2.256 420 E HA 0.131 4.481 4.350 -0.000 0.000 0.198 420 E C 0.841 177.452 176.600 0.019 0.000 0.908 420 E CA 0.933 57.242 56.400 -0.152 0.000 0.915 420 E CB 1.078 30.695 29.700 -0.138 0.000 0.890 420 E HN 0.384 nan 8.360 nan 0.000 0.484 421 V N -4.697 115.243 119.914 0.044 0.000 3.084 421 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 421 V C 0.907 177.058 176.094 0.095 0.000 1.311 421 V CA -0.201 62.159 62.300 0.100 0.000 1.062 421 V CB 1.136 33.050 31.823 0.153 0.000 1.113 421 V HN 0.296 nan 8.190 nan 0.000 0.468 422 G N -0.133 108.739 108.800 0.121 0.000 2.259 422 G HA2 0.055 4.015 3.960 -0.000 0.000 0.217 422 G HA3 0.055 4.015 3.960 -0.000 0.000 0.217 422 G C 0.277 175.283 174.900 0.177 0.000 1.001 422 G CA 0.680 45.854 45.100 0.124 0.000 0.627 422 G HN 2.405 nan 8.290 nan 0.000 0.501 423 S N -1.111 114.714 115.700 0.207 0.000 2.636 423 S HA 0.671 5.141 4.470 -0.000 0.000 0.268 423 S C -0.761 173.995 174.600 0.260 0.000 1.159 423 S CA -0.652 57.714 58.200 0.276 0.000 0.815 423 S CB 1.214 64.667 63.200 0.422 0.000 1.130 423 S HN 0.770 nan 8.310 nan 0.000 0.471 424 I N 1.537 122.302 120.570 0.324 0.000 2.268 424 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 424 I C -0.121 176.188 176.117 0.321 0.000 1.125 424 I CA 0.135 61.625 61.300 0.317 0.000 1.236 424 I CB -0.194 38.010 38.000 0.340 0.000 1.469 424 I HN 0.567 nan 8.210 nan 0.000 0.512 425 E N 3.751 124.055 120.200 0.172 0.000 2.367 425 E HA 0.372 4.722 4.350 -0.000 0.000 0.273 425 E C -0.680 175.936 176.600 0.027 0.000 0.903 425 E CA -1.006 55.418 56.400 0.040 0.000 0.764 425 E CB 3.251 32.970 29.700 0.032 0.000 1.252 425 E HN 0.286 nan 8.360 nan 0.000 0.446 426 V N -0.067 119.825 119.914 -0.038 0.000 2.763 426 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 426 V C 1.024 177.117 176.094 -0.002 0.000 1.059 426 V CA 1.000 63.279 62.300 -0.034 0.000 1.138 426 V CB 0.278 32.031 31.823 -0.116 0.000 0.940 426 V HN 1.015 nan 8.190 nan 0.000 0.489 427 G N 2.803 111.617 108.800 0.024 0.000 2.217 427 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.246 427 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.246 427 G C 0.320 175.257 174.900 0.062 0.000 0.990 427 G CA 0.436 45.562 45.100 0.044 0.000 0.627 427 G HN 0.907 nan 8.290 nan 0.000 0.522 428 K N -0.045 120.397 120.400 0.069 0.000 2.098 428 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 428 K C 0.222 176.872 176.600 0.083 0.000 0.999 428 K CA -0.971 55.363 56.287 0.078 0.000 0.924 428 K CB 1.460 34.017 32.500 0.094 0.000 1.028 428 K HN 0.119 nan 8.250 nan 0.000 0.466 429 L N 1.995 123.264 121.223 0.077 0.000 2.540 429 L HA -0.019 4.321 4.340 -0.000 0.000 0.276 429 L C -0.067 176.858 176.870 0.092 0.000 1.212 429 L CA 0.730 55.615 54.840 0.075 0.000 0.893 429 L CB 0.361 42.460 42.059 0.067 0.000 1.138 429 L HN 0.734 nan 8.230 nan 0.000 0.491 430 A N 4.199 127.073 122.820 0.089 0.000 3.026 430 A HA 0.171 4.491 4.320 -0.000 0.000 0.272 430 A C -0.350 177.288 177.584 0.089 0.000 1.782 430 A CA -0.370 51.723 52.037 0.095 0.000 1.451 430 A CB -1.108 17.946 19.000 0.090 0.000 1.081 430 A HN 0.685 nan 8.150 nan 0.000 0.611 431 D N 1.709 122.169 120.400 0.100 0.000 2.467 431 D HA 0.489 5.129 4.640 -0.000 0.000 0.220 431 D C -0.296 176.067 176.300 0.106 0.000 1.103 431 D CA 0.413 54.471 54.000 0.097 0.000 0.886 431 D CB 0.859 41.725 40.800 0.111 0.000 1.025 431 D HN 0.405 nan 8.370 nan 0.000 0.514 432 L N 1.013 122.285 121.223 0.082 0.000 2.333 432 L HA 0.659 4.999 4.340 -0.000 0.000 0.269 432 L C -0.394 176.488 176.870 0.021 0.000 1.010 432 L CA -1.181 53.708 54.840 0.082 0.000 0.818 432 L CB 2.308 44.416 42.059 0.082 0.000 1.306 432 L HN -0.093 nan 8.230 nan 0.000 0.430 433 V N 2.132 122.048 119.914 0.004 0.000 2.577 433 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 433 V C -0.317 175.596 176.094 -0.301 0.000 1.042 433 V CA -0.697 61.468 62.300 -0.225 0.000 0.872 433 V CB 2.112 33.750 31.823 -0.308 0.000 0.998 433 V HN 0.404 nan 8.190 nan 0.000 0.423 434 V N 3.807 123.500 119.914 -0.367 0.000 2.427 434 V HA 0.547 4.667 4.120 -0.000 0.000 0.286 434 V C -0.889 175.037 176.094 -0.280 0.000 1.034 434 V CA -0.478 61.715 62.300 -0.178 0.000 0.893 434 V CB 1.393 33.179 31.823 -0.062 0.000 0.982 434 V HN 0.921 nan 8.190 nan 0.000 0.452 435 W N 1.799 123.173 121.300 0.124 0.000 2.915 435 W HA 0.636 5.296 4.660 -0.000 0.000 0.337 435 W C 0.171 176.783 176.519 0.156 0.000 1.102 435 W CA -0.677 56.754 57.345 0.143 0.000 1.224 435 W CB 1.753 31.337 29.460 0.207 0.000 1.416 435 W HN 0.470 nan 8.180 nan 0.000 0.503 436 S N 2.446 118.397 115.700 0.419 0.000 2.513 436 S HA 0.309 4.779 4.470 -0.000 0.000 0.276 436 S C -1.509 173.293 174.600 0.336 0.000 1.254 436 S CA -1.207 57.187 58.200 0.323 0.000 1.053 436 S CB 1.125 64.523 63.200 0.330 0.000 0.958 436 S HN 0.235 nan 8.310 nan 0.000 0.491 437 P HA -0.138 nan 4.420 nan 0.000 0.217 437 P C 1.200 178.527 177.300 0.044 0.000 1.151 437 P CA 1.757 64.907 63.100 0.084 0.000 0.849 437 P CB 0.022 31.723 31.700 0.002 0.000 0.787 438 A N -2.366 120.486 122.820 0.054 0.000 2.067 438 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 438 A C 1.322 178.745 177.584 -0.268 0.000 1.158 438 A CA 1.216 53.172 52.037 -0.134 0.000 0.661 438 A CB -1.281 17.585 19.000 -0.224 0.000 0.801 438 A HN 0.188 nan 8.150 nan 0.000 0.452 439 F N -2.392 117.637 119.950 0.132 0.000 2.683 439 F HA 0.328 4.855 4.527 -0.000 0.000 0.306 439 F C 0.299 176.092 175.800 -0.012 0.000 1.102 439 F CA -1.193 56.839 58.000 0.052 0.000 1.244 439 F CB 0.037 39.119 39.000 0.138 0.000 1.029 439 F HN 0.156 nan 8.300 nan 0.000 0.545 440 F N 1.393 121.298 119.950 -0.075 0.000 2.623 440 F HA 0.329 4.856 4.527 -0.000 0.000 0.383 440 F C 1.406 176.833 175.800 -0.621 0.000 1.077 440 F CA 1.188 58.936 58.000 -0.419 0.000 1.268 440 F CB 0.497 39.178 39.000 -0.533 0.000 1.053 440 F HN 0.324 nan 8.300 nan 0.000 0.571 441 G N 3.239 110.848 108.800 -1.986 0.000 2.245 441 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 441 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 441 G C 0.569 175.234 174.900 -0.391 0.000 0.985 441 G CA 0.575 44.951 45.100 -1.206 0.000 0.625 441 G HN 0.836 nan 8.290 nan 0.000 0.536 442 V N -0.931 118.861 119.914 -0.204 0.000 2.721 442 V HA 0.395 4.515 4.120 -0.000 0.000 0.236 442 V C 0.973 177.177 176.094 0.183 0.000 1.116 442 V CA 1.697 63.977 62.300 -0.033 0.000 1.148 442 V CB 0.182 31.761 31.823 -0.407 0.000 0.886 442 V HN 0.264 nan 8.190 nan 0.000 0.490 443 K N 1.205 121.775 120.400 0.283 0.000 2.613 443 K HA 0.466 4.786 4.320 -0.000 0.000 0.248 443 K C -2.940 173.858 176.600 0.329 0.000 0.959 443 K CA -1.674 54.788 56.287 0.292 0.000 0.855 443 K CB 2.510 35.136 32.500 0.211 0.000 1.143 443 K HN 0.159 nan 8.250 nan 0.000 0.437 444 P HA 0.025 nan 4.420 nan 0.000 0.271 444 P C -0.066 177.214 177.300 -0.033 0.000 1.218 444 P CA 0.040 63.019 63.100 -0.201 0.000 0.780 444 P CB 1.173 32.580 31.700 -0.488 0.000 0.901 445 A N 2.309 125.061 122.820 -0.114 0.000 1.935 445 A HA 0.128 4.448 4.320 -0.000 0.000 0.214 445 A C 0.518 178.036 177.584 -0.109 0.000 1.178 445 A CA 1.460 53.439 52.037 -0.097 0.000 0.640 445 A CB -0.305 18.669 19.000 -0.043 0.000 0.825 445 A HN 0.542 nan 8.150 nan 0.000 0.447 446 T N -0.682 113.789 114.554 -0.139 0.000 3.032 446 T HA 0.501 4.851 4.350 -0.000 0.000 0.312 446 T C -1.322 173.292 174.700 -0.144 0.000 1.078 446 T CA -0.381 61.656 62.100 -0.105 0.000 1.028 446 T CB 1.943 70.767 68.868 -0.074 0.000 1.091 446 T HN -0.018 nan 8.240 nan 0.000 0.457 447 V N 4.209 124.073 119.914 -0.084 0.000 2.350 447 V HA 0.486 4.606 4.120 -0.000 0.000 0.285 447 V C -0.299 175.776 176.094 -0.031 0.000 1.014 447 V CA -0.717 61.533 62.300 -0.084 0.000 0.831 447 V CB 0.977 32.761 31.823 -0.065 0.000 1.000 447 V HN 0.781 nan 8.190 nan 0.000 0.433 448 I N 4.942 125.500 120.570 -0.019 0.000 2.331 448 I HA 0.459 4.629 4.170 -0.000 0.000 0.292 448 I C 0.216 176.353 176.117 0.032 0.000 0.998 448 I CA -0.427 60.881 61.300 0.013 0.000 1.267 448 I CB 1.244 39.256 38.000 0.020 0.000 1.386 448 I HN 0.375 nan 8.210 nan 0.000 0.476 449 K N 4.387 124.810 120.400 0.039 0.000 2.394 449 K HA 0.325 4.645 4.320 -0.000 0.000 0.260 449 K C 0.472 177.106 176.600 0.057 0.000 0.967 449 K CA -0.308 56.009 56.287 0.050 0.000 0.855 449 K CB 1.775 34.302 32.500 0.046 0.000 1.101 449 K HN 0.914 nan 8.250 nan 0.000 0.433 450 G N 2.185 111.023 108.800 0.062 0.000 2.321 450 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.287 450 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.287 450 G C 0.728 175.673 174.900 0.076 0.000 1.018 450 G CA 1.071 46.211 45.100 0.067 0.000 0.855 450 G HN 1.074 nan 8.290 nan 0.000 0.507 451 G N -2.206 106.632 108.800 0.065 0.000 2.218 451 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.216 451 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.216 451 G C 0.239 175.164 174.900 0.041 0.000 0.994 451 G CA 0.616 45.749 45.100 0.055 0.000 0.637 451 G HN 1.002 nan 8.290 nan 0.000 0.505 452 M N 0.621 120.249 119.600 0.047 0.000 2.535 452 M HA 0.561 5.041 4.480 -0.000 0.000 0.314 452 M C 0.099 176.425 176.300 0.044 0.000 1.153 452 M CA -0.901 54.426 55.300 0.044 0.000 0.924 452 M CB 2.339 34.972 32.600 0.055 0.000 1.710 452 M HN 0.054 nan 8.290 nan 0.000 0.451 453 I N 1.709 122.306 120.570 0.045 0.000 2.598 453 I HA 0.028 4.198 4.170 -0.000 0.000 0.284 453 I C 0.928 177.064 176.117 0.033 0.000 1.140 453 I CA 0.143 61.461 61.300 0.031 0.000 1.420 453 I CB 1.043 39.059 38.000 0.028 0.000 1.387 453 I HN 0.897 nan 8.210 nan 0.000 0.553 454 A N 7.187 130.017 122.820 0.017 0.000 1.973 454 A HA 0.391 4.711 4.320 -0.000 0.000 0.210 454 A C 0.684 178.266 177.584 -0.003 0.000 1.200 454 A CA 0.651 52.694 52.037 0.010 0.000 0.707 454 A CB 0.381 19.391 19.000 0.017 0.000 0.862 454 A HN 0.648 nan 8.150 nan 0.000 0.461 455 I N -2.243 118.333 120.570 0.010 0.000 2.918 455 I HA 0.610 4.780 4.170 -0.000 0.000 0.301 455 I C -1.410 174.744 176.117 0.061 0.000 1.312 455 I CA -0.459 60.864 61.300 0.039 0.000 1.007 455 I CB 2.240 40.281 38.000 0.068 0.000 1.281 455 I HN 0.299 nan 8.210 nan 0.000 0.440 456 A N 5.383 128.241 122.820 0.063 0.000 2.567 456 A HA 0.741 5.061 4.320 -0.000 0.000 0.291 456 A C -3.101 174.315 177.584 -0.281 0.000 1.048 456 A CA -1.059 50.953 52.037 -0.042 0.000 0.661 456 A CB 1.378 20.330 19.000 -0.080 0.000 1.288 456 A HN 0.305 nan 8.150 nan 0.000 0.424 457 P HA 0.494 nan 4.420 nan 0.000 0.271 457 P C -0.725 176.345 177.300 -0.383 0.000 1.216 457 P CA 0.200 62.874 63.100 -0.710 0.000 0.771 457 P CB 0.525 31.821 31.700 -0.674 0.000 0.864 458 M N 3.037 122.422 119.600 -0.357 0.000 2.324 458 M HA 0.589 5.069 4.480 -0.000 0.000 0.288 458 M C -0.319 175.819 176.300 -0.271 0.000 1.097 458 M CA -0.297 54.842 55.300 -0.268 0.000 0.928 458 M CB 1.563 34.020 32.600 -0.239 0.000 1.648 458 M HN 0.391 nan 8.290 nan 0.000 0.460 459 G N 1.310 110.001 108.800 -0.182 0.000 2.525 459 G HA2 0.287 4.247 3.960 -0.000 0.000 0.287 459 G HA3 0.287 4.247 3.960 -0.000 0.000 0.287 459 G C -0.888 173.945 174.900 -0.112 0.000 1.350 459 G CA -0.592 44.427 45.100 -0.135 0.000 1.039 459 G HN 0.767 nan 8.290 nan 0.000 0.513 460 D N -0.187 120.173 120.400 -0.066 0.000 2.982 460 D HA -0.121 4.519 4.640 -0.000 0.000 0.222 460 D C 1.742 178.015 176.300 -0.045 0.000 1.124 460 D CA -0.177 53.798 54.000 -0.041 0.000 0.810 460 D CB 0.221 41.009 40.800 -0.021 0.000 1.152 460 D HN 0.059 nan 8.370 nan 0.000 0.538 461 I N 3.554 124.097 120.570 -0.044 0.000 2.361 461 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 461 I C 1.836 177.940 176.117 -0.021 0.000 1.133 461 I CA 0.972 62.249 61.300 -0.038 0.000 1.413 461 I CB -1.095 36.883 38.000 -0.036 0.000 1.073 461 I HN 0.432 nan 8.210 nan 0.000 0.424 462 N N 0.915 119.606 118.700 -0.014 0.000 2.336 462 N HA 0.142 4.882 4.740 -0.000 0.000 0.189 462 N C 0.540 176.045 175.510 -0.008 0.000 1.113 462 N CA 0.091 53.136 53.050 -0.008 0.000 0.858 462 N CB 0.250 38.735 38.487 -0.003 0.000 0.970 462 N HN 0.269 nan 8.380 nan 0.000 0.471 463 A N -0.590 122.222 122.820 -0.013 0.000 2.296 463 A HA 0.315 4.635 4.320 -0.000 0.000 0.264 463 A C 1.283 178.861 177.584 -0.010 0.000 1.097 463 A CA 0.070 52.099 52.037 -0.012 0.000 0.811 463 A CB 0.140 19.129 19.000 -0.017 0.000 1.072 463 A HN 0.435 nan 8.150 nan 0.000 0.495 464 S N -0.571 115.124 115.700 -0.009 0.000 2.561 464 S HA 0.243 4.713 4.470 -0.000 0.000 0.225 464 S C 0.426 175.022 174.600 -0.007 0.000 0.977 464 S CA 0.783 58.979 58.200 -0.006 0.000 0.926 464 S CB -1.059 62.137 63.200 -0.005 0.000 0.769 464 S HN 0.767 nan 8.310 nan 0.000 0.533 465 I N -3.182 117.381 120.570 -0.012 0.000 3.102 465 I HA 0.440 4.610 4.170 -0.000 0.000 0.310 465 I C -2.673 173.430 176.117 -0.023 0.000 1.246 465 I CA -2.612 58.680 61.300 -0.013 0.000 0.979 465 I CB 1.833 39.825 38.000 -0.013 0.000 1.267 465 I HN -0.365 nan 8.210 nan 0.000 0.451 466 P HA 0.023 nan 4.420 nan 0.000 0.249 466 P C 0.922 178.184 177.300 -0.063 0.000 1.229 466 P CA 0.621 63.693 63.100 -0.047 0.000 0.788 466 P CB 0.128 31.800 31.700 -0.046 0.000 1.072 467 T N -4.256 110.268 114.554 -0.050 0.000 3.051 467 T HA 0.204 4.554 4.350 -0.000 0.000 0.255 467 T C -1.540 173.131 174.700 -0.049 0.000 1.085 467 T CA -0.422 61.645 62.100 -0.055 0.000 1.109 467 T CB -1.888 66.955 68.868 -0.042 0.000 0.921 467 T HN 0.113 nan 8.240 nan 0.000 0.488 468 P HA 0.179 nan 4.420 nan 0.000 0.269 468 P C 0.155 177.437 177.300 -0.030 0.000 1.209 468 P CA -0.138 62.945 63.100 -0.028 0.000 0.776 468 P CB 0.380 32.068 31.700 -0.021 0.000 0.876 469 Q N 2.939 122.728 119.800 -0.017 0.000 2.454 469 Q HA 0.178 4.518 4.340 -0.000 0.000 0.247 469 Q C -1.902 174.103 176.000 0.010 0.000 1.028 469 Q CA -1.174 54.626 55.803 -0.004 0.000 0.910 469 Q CB -0.556 28.185 28.738 0.004 0.000 1.276 469 Q HN 0.392 nan 8.270 nan 0.000 0.489 470 P HA 0.184 nan 4.420 nan 0.000 0.287 470 P C -0.780 176.562 177.300 0.069 0.000 1.281 470 P CA -0.264 62.884 63.100 0.080 0.000 0.781 470 P CB 0.833 32.618 31.700 0.141 0.000 0.903 471 V N 5.797 125.726 119.914 0.025 0.000 2.383 471 V HA 0.357 4.477 4.120 -0.000 0.000 0.275 471 V C 0.264 176.361 176.094 0.004 0.000 1.036 471 V CA -0.002 62.253 62.300 -0.074 0.000 0.889 471 V CB 0.231 31.981 31.823 -0.122 0.000 0.985 471 V HN 0.874 nan 8.190 nan 0.000 0.459 472 H N 2.188 121.188 119.070 -0.116 0.000 3.017 472 H HA 0.607 5.163 4.556 -0.000 0.000 0.346 472 H C -1.595 173.661 175.328 -0.119 0.000 1.286 472 H CA -1.112 54.895 56.048 -0.069 0.000 1.120 472 H CB 0.706 30.491 29.762 0.038 0.000 1.860 472 H HN 0.365 nan 8.280 nan 0.000 0.542 473 Y N 1.156 121.513 120.300 0.094 0.000 2.544 473 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 473 Y C 0.595 176.506 175.900 0.018 0.000 1.136 473 Y CA 0.267 58.375 58.100 0.014 0.000 1.417 473 Y CB 0.580 39.057 38.460 0.027 0.000 1.229 473 Y HN 0.368 nan 8.280 nan 0.000 0.532 474 R N 4.040 124.567 120.500 0.046 0.000 2.725 474 R HA 0.428 4.768 4.340 -0.000 0.000 0.277 474 R C -2.984 173.300 176.300 -0.026 0.000 0.987 474 R CA -2.348 53.749 56.100 -0.006 0.000 0.901 474 R CB 1.585 31.814 30.300 -0.117 0.000 1.207 474 R HN 0.330 nan 8.270 nan 0.000 0.463 475 P HA 0.061 nan 4.420 nan 0.000 0.268 475 P C -0.430 176.773 177.300 -0.160 0.000 1.205 475 P CA 0.191 63.249 63.100 -0.070 0.000 0.771 475 P CB 0.635 32.295 31.700 -0.066 0.000 0.858 476 M N 1.327 120.828 119.600 -0.165 0.000 2.826 476 M HA 0.339 4.819 4.480 -0.000 0.000 0.288 476 M C 1.228 177.351 176.300 -0.295 0.000 1.141 476 M CA -0.641 54.487 55.300 -0.287 0.000 0.816 476 M CB -0.296 32.226 32.600 -0.130 0.000 1.704 476 M HN 0.182 nan 8.290 nan 0.000 0.497 477 F N 0.665 120.597 119.950 -0.031 0.000 2.269 477 F HA -0.034 4.493 4.527 -0.000 0.000 0.301 477 F C 2.243 178.022 175.800 -0.035 0.000 1.082 477 F CA 1.508 59.486 58.000 -0.036 0.000 1.360 477 F CB -1.137 37.840 39.000 -0.039 0.000 1.041 477 F HN 0.742 nan 8.300 nan 0.000 0.512 478 G N -0.728 108.140 108.800 0.113 0.000 2.598 478 G HA2 0.053 4.013 3.960 -0.000 0.000 0.215 478 G HA3 0.053 4.013 3.960 -0.000 0.000 0.215 478 G C 1.535 176.448 174.900 0.022 0.000 1.131 478 G CA 0.605 45.744 45.100 0.064 0.000 0.785 478 G HN 0.429 nan 8.290 nan 0.000 0.539 479 A N -0.303 122.512 122.820 -0.007 0.000 2.348 479 A HA 0.598 4.918 4.320 -0.000 0.000 0.224 479 A C 0.642 178.193 177.584 -0.055 0.000 1.227 479 A CA -0.327 51.691 52.037 -0.031 0.000 0.885 479 A CB 0.135 19.113 19.000 -0.036 0.000 0.933 479 A HN 0.250 nan 8.150 nan 0.000 0.506 480 L N -0.490 120.705 121.223 -0.046 0.000 2.307 480 L HA 0.468 4.808 4.340 -0.000 0.000 0.282 480 L C 1.754 178.559 176.870 -0.108 0.000 1.051 480 L CA -0.218 54.588 54.840 -0.056 0.000 0.804 480 L CB 1.072 43.133 42.059 0.002 0.000 1.197 480 L HN 0.489 nan 8.230 nan 0.000 0.431 481 G N 2.008 110.722 108.800 -0.143 0.000 3.152 481 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.407 481 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.407 481 G C 1.211 175.853 174.900 -0.429 0.000 0.933 481 G CA 1.211 46.171 45.100 -0.233 0.000 0.773 481 G HN 0.641 nan 8.290 nan 0.000 1.074 482 S N 0.697 116.284 115.700 -0.188 0.000 2.423 482 S HA 0.124 4.593 4.470 -0.000 0.000 0.231 482 S C 2.724 177.307 174.600 -0.030 0.000 1.014 482 S CA 1.628 59.788 58.200 -0.066 0.000 0.965 482 S CB -0.437 62.792 63.200 0.048 0.000 0.785 482 S HN 1.049 nan 8.310 nan 0.000 0.495 483 A N 1.930 124.723 122.820 -0.045 0.000 1.930 483 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 483 A C 2.073 179.668 177.584 0.019 0.000 1.175 483 A CA 1.296 53.334 52.037 0.001 0.000 0.627 483 A CB -0.508 18.501 19.000 0.015 0.000 0.815 483 A HN 0.417 nan 8.150 nan 0.000 0.443 484 R N -0.711 119.746 120.500 -0.071 0.000 2.080 484 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 484 R C 2.001 178.311 176.300 0.017 0.000 1.137 484 R CA 2.110 58.172 56.100 -0.063 0.000 0.943 484 R CB -0.631 29.577 30.300 -0.153 0.000 0.846 484 R HN 0.782 nan 8.270 nan 0.000 0.431 485 H N -2.033 117.059 119.070 0.036 0.000 2.353 485 H HA -0.202 4.354 4.556 -0.000 0.000 0.298 485 H C 2.042 177.385 175.328 0.024 0.000 1.103 485 H CA 1.774 57.831 56.048 0.015 0.000 1.293 485 H CB -0.183 29.588 29.762 0.015 0.000 1.372 485 H HN 0.472 nan 8.280 nan 0.000 0.501 486 H N -0.831 118.299 119.070 0.101 0.000 2.524 486 H HA 0.011 4.567 4.556 -0.000 0.000 0.282 486 H C 1.124 176.467 175.328 0.025 0.000 1.016 486 H CA 0.942 57.019 56.048 0.048 0.000 1.270 486 H CB 0.247 30.029 29.762 0.033 0.000 1.394 486 H HN 0.315 nan 8.280 nan 0.000 0.568 487 C N 1.194 120.580 119.300 0.142 0.000 3.038 487 C HA 0.279 4.739 4.460 -0.000 0.000 0.279 487 C C 0.618 175.630 174.990 0.036 0.000 1.276 487 C CA -0.398 58.675 59.018 0.093 0.000 1.697 487 C CB -1.124 26.674 27.740 0.097 0.000 2.032 487 C HN 0.521 nan 8.230 nan 0.000 0.636 488 R N 0.162 120.669 120.500 0.011 0.000 2.888 488 R HA 0.835 5.175 4.340 -0.000 0.000 0.266 488 R C -1.599 174.638 176.300 -0.105 0.000 1.020 488 R CA -0.645 55.441 56.100 -0.024 0.000 0.963 488 R CB 0.966 31.269 30.300 0.004 0.000 1.197 488 R HN 0.102 nan 8.270 nan 0.000 0.481 489 L N 0.854 121.959 121.223 -0.198 0.000 2.362 489 L HA 0.466 4.806 4.340 -0.000 0.000 0.271 489 L C -0.609 175.974 176.870 -0.477 0.000 1.002 489 L CA -0.930 53.677 54.840 -0.388 0.000 0.818 489 L CB 2.702 44.377 42.059 -0.641 0.000 1.298 489 L HN 0.735 nan 8.230 nan 0.000 0.420 490 T N 2.339 116.656 114.554 -0.393 0.000 2.756 490 T HA 0.504 4.854 4.350 -0.000 0.000 0.290 490 T C -0.491 174.033 174.700 -0.294 0.000 0.985 490 T CA -0.266 61.675 62.100 -0.265 0.000 0.955 490 T CB 0.195 68.979 68.868 -0.140 0.000 0.930 490 T HN 0.069 nan 8.240 nan 0.000 0.451 491 F N 3.563 123.528 119.950 0.026 0.000 2.427 491 F HA 0.505 5.032 4.527 -0.000 0.000 0.352 491 F C 0.436 176.260 175.800 0.040 0.000 1.100 491 F CA -0.812 57.213 58.000 0.042 0.000 1.191 491 F CB 0.472 39.509 39.000 0.061 0.000 1.128 491 F HN 0.215 nan 8.300 nan 0.000 0.533 492 L N 1.918 123.271 121.223 0.215 0.000 2.323 492 L HA 0.534 4.874 4.340 -0.000 0.000 0.265 492 L C -0.022 176.927 176.870 0.132 0.000 1.012 492 L CA -1.119 53.800 54.840 0.131 0.000 0.820 492 L CB 2.296 44.397 42.059 0.070 0.000 1.334 492 L HN 0.649 nan 8.230 nan 0.000 0.427 493 S N -0.272 115.483 115.700 0.092 0.000 2.603 493 S HA 0.154 4.624 4.470 -0.000 0.000 0.268 493 S C 0.583 175.218 174.600 0.058 0.000 1.317 493 S CA -0.550 57.694 58.200 0.074 0.000 1.012 493 S CB 1.315 64.547 63.200 0.054 0.000 0.926 493 S HN 0.700 nan 8.310 nan 0.000 0.539 494 Q N 1.192 121.020 119.800 0.046 0.000 2.152 494 Q HA -0.164 4.176 4.340 -0.000 0.000 0.206 494 Q C 2.470 178.484 176.000 0.023 0.000 0.985 494 Q CA 1.730 57.552 55.803 0.032 0.000 0.863 494 Q CB -0.652 28.097 28.738 0.018 0.000 0.904 494 Q HN 0.926 nan 8.270 nan 0.000 0.422 495 A N 1.174 124.006 122.820 0.020 0.000 1.858 495 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 495 A C 2.352 179.944 177.584 0.014 0.000 1.190 495 A CA 1.602 53.648 52.037 0.014 0.000 0.617 495 A CB -0.982 18.026 19.000 0.012 0.000 0.827 495 A HN 0.406 nan 8.150 nan 0.000 0.443 496 A N -0.111 122.720 122.820 0.019 0.000 1.908 496 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 496 A C 2.518 180.109 177.584 0.011 0.000 1.181 496 A CA 2.374 54.419 52.037 0.014 0.000 0.627 496 A CB -1.092 17.920 19.000 0.020 0.000 0.818 496 A HN 1.116 nan 8.150 nan 0.000 0.445 497 A N -0.175 122.656 122.820 0.018 0.000 1.883 497 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 497 A C 2.538 180.127 177.584 0.008 0.000 1.186 497 A CA 2.321 54.367 52.037 0.015 0.000 0.624 497 A CB -1.104 17.912 19.000 0.027 0.000 0.822 497 A HN 1.125 nan 8.150 nan 0.000 0.444 498 A N 0.226 123.051 122.820 0.009 0.000 1.902 498 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 498 A C 1.716 179.301 177.584 0.002 0.000 1.181 498 A CA 1.698 53.738 52.037 0.005 0.000 0.623 498 A CB -0.634 18.369 19.000 0.005 0.000 0.818 498 A HN 0.536 nan 8.150 nan 0.000 0.443 499 N N -0.320 118.381 118.700 0.002 0.000 2.609 499 N HA 0.054 4.794 4.740 -0.000 0.000 0.190 499 N C 1.123 176.631 175.510 -0.005 0.000 1.157 499 N CA 1.114 54.163 53.050 -0.001 0.000 0.918 499 N CB -0.236 38.252 38.487 0.000 0.000 0.978 499 N HN 0.722 nan 8.380 nan 0.000 0.448 500 G N -0.106 108.691 108.800 -0.006 0.000 2.176 500 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 500 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 500 G C 0.997 175.887 174.900 -0.017 0.000 1.024 500 G CA 0.390 45.483 45.100 -0.011 0.000 0.755 500 G HN 0.218 nan 8.290 nan 0.000 0.507 501 V N 0.138 120.043 119.914 -0.016 0.000 2.324 501 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 501 V C 3.228 179.301 176.094 -0.036 0.000 1.060 501 V CA 3.184 65.470 62.300 -0.023 0.000 1.042 501 V CB -0.927 30.886 31.823 -0.018 0.000 0.650 501 V HN 1.032 nan 8.190 nan 0.000 0.450 502 A N -0.234 122.565 122.820 -0.035 0.000 1.902 502 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 502 A C 2.091 179.644 177.584 -0.051 0.000 1.181 502 A CA 2.005 54.012 52.037 -0.049 0.000 0.623 502 A CB -0.432 18.539 19.000 -0.047 0.000 0.818 502 A HN 0.571 nan 8.150 nan 0.000 0.443 503 E N -0.698 119.479 120.200 -0.039 0.000 2.152 503 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 503 E C 2.119 178.697 176.600 -0.037 0.000 0.983 503 E CA 1.038 57.416 56.400 -0.036 0.000 0.818 503 E CB -0.237 29.448 29.700 -0.026 0.000 0.758 503 E HN 0.631 nan 8.360 nan 0.000 0.467 504 R N 0.274 120.753 120.500 -0.035 0.000 2.073 504 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 504 R C 1.826 178.098 176.300 -0.047 0.000 1.120 504 R CA 0.894 56.973 56.100 -0.035 0.000 0.967 504 R CB -0.116 30.167 30.300 -0.029 0.000 0.862 504 R HN 0.189 nan 8.270 nan 0.000 0.436 505 L N 0.626 121.814 121.223 -0.059 0.000 2.478 505 L HA 0.008 4.348 4.340 -0.000 0.000 0.223 505 L C 0.580 177.402 176.870 -0.081 0.000 1.140 505 L CA 0.285 55.078 54.840 -0.078 0.000 0.842 505 L CB -0.349 41.656 42.059 -0.091 0.000 0.953 505 L HN 0.445 nan 8.230 nan 0.000 0.452 506 N N 1.133 119.790 118.700 -0.071 0.000 2.756 506 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 506 N C -0.495 174.953 175.510 -0.103 0.000 1.062 506 N CA -0.090 52.915 53.050 -0.075 0.000 0.696 506 N CB -0.438 38.011 38.487 -0.064 0.000 0.946 506 N HN 0.030 nan 8.380 nan 0.000 0.548 507 L N 1.463 122.619 121.223 -0.111 0.000 2.410 507 L HA 0.088 4.428 4.340 -0.000 0.000 0.273 507 L C 1.813 178.573 176.870 -0.183 0.000 1.152 507 L CA 0.707 55.458 54.840 -0.148 0.000 0.855 507 L CB 0.939 42.922 42.059 -0.126 0.000 1.129 507 L HN 0.146 nan 8.230 nan 0.000 0.463 508 R N 0.446 120.766 120.500 -0.300 0.000 2.210 508 R HA 0.153 4.493 4.340 -0.000 0.000 0.203 508 R C 0.597 176.706 176.300 -0.319 0.000 1.010 508 R CA 0.195 56.067 56.100 -0.380 0.000 1.008 508 R CB -0.005 29.875 30.300 -0.700 0.000 0.923 508 R HN 0.629 nan 8.270 nan 0.000 0.469 509 S N 0.278 115.806 115.700 -0.287 0.000 2.624 509 S HA 0.536 5.006 4.470 -0.000 0.000 0.263 509 S C 0.209 174.738 174.600 -0.119 0.000 1.287 509 S CA -0.489 57.639 58.200 -0.119 0.000 0.990 509 S CB 1.191 64.344 63.200 -0.078 0.000 0.950 509 S HN 0.375 nan 8.310 nan 0.000 0.561 510 A N 1.228 123.975 122.820 -0.121 0.000 2.406 510 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 510 A C -0.140 177.350 177.584 -0.156 0.000 1.082 510 A CA -0.149 51.801 52.037 -0.146 0.000 0.786 510 A CB -0.146 18.748 19.000 -0.176 0.000 1.029 510 A HN 0.600 nan 8.150 nan 0.000 0.495 511 I N 0.133 120.626 120.570 -0.128 0.000 2.530 511 I HA 0.641 4.811 4.170 -0.000 0.000 0.297 511 I C 0.348 176.413 176.117 -0.086 0.000 1.011 511 I CA -0.222 61.009 61.300 -0.116 0.000 1.107 511 I CB 1.321 39.283 38.000 -0.062 0.000 1.285 511 I HN 0.756 nan 8.210 nan 0.000 0.436 512 A N 5.443 128.217 122.820 -0.078 0.000 2.449 512 A HA 0.797 5.117 4.320 -0.000 0.000 0.302 512 A C -1.092 176.634 177.584 0.235 0.000 1.048 512 A CA -0.506 51.576 52.037 0.076 0.000 0.708 512 A CB 1.756 20.771 19.000 0.024 0.000 1.274 512 A HN 0.368 nan 8.150 nan 0.000 0.410 513 V N 1.979 122.067 119.914 0.290 0.000 2.630 513 V HA 0.585 4.705 4.120 -0.000 0.000 0.305 513 V C 0.463 176.754 176.094 0.329 0.000 1.046 513 V CA -0.477 61.973 62.300 0.250 0.000 0.934 513 V CB 1.593 33.498 31.823 0.136 0.000 1.003 513 V HN 1.080 nan 8.190 nan 0.000 0.451 514 V N 2.186 122.241 119.914 0.235 0.000 2.785 514 V HA 0.848 4.968 4.120 -0.000 0.000 0.300 514 V C -0.452 175.680 176.094 0.063 0.000 1.062 514 V CA -0.558 61.854 62.300 0.187 0.000 1.029 514 V CB 1.189 33.081 31.823 0.115 0.000 1.024 514 V HN 1.085 nan 8.190 nan 0.000 0.477 515 K N 1.472 121.877 120.400 0.009 0.000 2.598 515 K HA 0.657 4.977 4.320 -0.000 0.000 0.271 515 K C 0.052 176.623 176.600 -0.049 0.000 0.947 515 K CA -0.519 55.737 56.287 -0.053 0.000 0.854 515 K CB 1.263 33.685 32.500 -0.130 0.000 1.401 515 K HN 2.033 nan 8.250 nan 0.000 0.415 516 G N 0.780 109.553 108.800 -0.045 0.000 2.149 516 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.235 516 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.235 516 G C 0.556 175.430 174.900 -0.043 0.000 1.018 516 G CA 0.129 45.204 45.100 -0.042 0.000 0.728 516 G HN 0.681 nan 8.290 nan 0.000 0.508 517 C N -0.211 119.061 119.300 -0.047 0.000 2.495 517 C HA 0.158 4.618 4.460 -0.000 0.000 0.275 517 C C 2.541 177.487 174.990 -0.074 0.000 1.392 517 C CA 0.974 59.949 59.018 -0.072 0.000 1.766 517 C CB -0.480 27.216 27.740 -0.074 0.000 1.933 517 C HN 0.581 nan 8.230 nan 0.000 0.519 518 R N 1.199 121.666 120.500 -0.055 0.000 2.210 518 R HA 0.001 4.341 4.340 -0.000 0.000 0.203 518 R C 1.989 178.262 176.300 -0.044 0.000 1.010 518 R CA 1.552 57.623 56.100 -0.049 0.000 1.008 518 R CB -1.288 28.989 30.300 -0.038 0.000 0.923 518 R HN 0.696 nan 8.270 nan 0.000 0.469 519 T N -1.108 113.420 114.554 -0.042 0.000 3.081 519 T HA 0.105 4.455 4.350 -0.000 0.000 0.250 519 T C 1.106 175.782 174.700 -0.040 0.000 1.100 519 T CA -0.199 61.879 62.100 -0.037 0.000 1.038 519 T CB -0.358 68.491 68.868 -0.032 0.000 0.962 519 T HN -0.034 nan 8.240 nan 0.000 0.516 520 V N 1.400 121.283 119.914 -0.051 0.000 2.775 520 V HA 0.589 4.709 4.120 -0.000 0.000 0.299 520 V C -0.338 175.723 176.094 -0.054 0.000 1.062 520 V CA -1.037 61.229 62.300 -0.056 0.000 1.063 520 V CB 0.666 32.445 31.823 -0.074 0.000 0.994 520 V HN 0.713 nan 8.190 nan 0.000 0.483 521 Q N 1.616 121.388 119.800 -0.048 0.000 2.553 521 Q HA 0.520 4.860 4.340 -0.000 0.000 0.293 521 Q C 0.342 176.320 176.000 -0.038 0.000 1.038 521 Q CA -1.089 54.691 55.803 -0.038 0.000 0.777 521 Q CB 1.642 30.365 28.738 -0.024 0.000 1.487 521 Q HN 0.359 nan 8.270 nan 0.000 0.426 522 K N 0.897 121.282 120.400 -0.026 0.000 2.127 522 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 522 K C 1.747 178.336 176.600 -0.018 0.000 1.047 522 K CA 2.529 58.804 56.287 -0.020 0.000 0.927 522 K CB -0.848 31.652 32.500 0.000 0.000 0.716 522 K HN 0.675 nan 8.250 nan 0.000 0.450 523 A N 0.436 123.247 122.820 -0.015 0.000 2.121 523 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 523 A C 1.361 178.932 177.584 -0.023 0.000 1.154 523 A CA 1.776 53.805 52.037 -0.012 0.000 0.679 523 A CB -0.355 18.640 19.000 -0.009 0.000 0.795 523 A HN 0.388 nan 8.150 nan 0.000 0.458 524 D N -0.471 119.907 120.400 -0.036 0.000 2.347 524 D HA 0.023 4.663 4.640 -0.000 0.000 0.213 524 D C 0.343 176.600 176.300 -0.072 0.000 0.985 524 D CA 0.308 54.278 54.000 -0.050 0.000 0.879 524 D CB -0.109 40.661 40.800 -0.051 0.000 0.919 524 D HN 0.288 nan 8.370 nan 0.000 0.526 525 M N 1.937 121.498 119.600 -0.066 0.000 2.350 525 M HA 0.054 4.534 4.480 -0.000 0.000 0.338 525 M C -0.048 176.195 176.300 -0.094 0.000 1.559 525 M CA -0.187 55.064 55.300 -0.081 0.000 1.217 525 M CB 0.369 32.933 32.600 -0.061 0.000 1.808 525 M HN -0.319 nan 8.290 nan 0.000 0.458 526 V N 6.566 126.377 119.914 -0.171 0.000 2.555 526 V HA -0.158 3.962 4.120 -0.000 0.000 0.299 526 V C 1.219 177.203 176.094 -0.185 0.000 1.012 526 V CA 0.659 62.779 62.300 -0.299 0.000 1.180 526 V CB -1.136 30.398 31.823 -0.481 0.000 0.887 526 V HN 0.893 nan 8.190 nan 0.000 0.476 527 H N 2.617 121.710 119.070 0.038 0.000 3.179 527 H HA -0.161 4.395 4.556 -0.000 0.000 0.250 527 H C 0.627 175.981 175.328 0.045 0.000 1.142 527 H CA 1.305 57.404 56.048 0.085 0.000 1.165 527 H CB -1.313 28.442 29.762 -0.011 0.000 1.253 527 H HN 0.858 nan 8.280 nan 0.000 0.325 528 N N 0.091 118.847 118.700 0.094 0.000 2.687 528 N HA 0.125 4.865 4.740 -0.000 0.000 0.275 528 N C 0.165 175.693 175.510 0.030 0.000 1.789 528 N CA 0.647 53.725 53.050 0.048 0.000 0.806 528 N CB 0.997 39.486 38.487 0.004 0.000 1.256 528 N HN 0.294 nan 8.380 nan 0.000 0.500 529 S N -0.714 115.014 115.700 0.046 0.000 2.650 529 S HA 0.153 4.623 4.470 -0.000 0.000 0.240 529 S C 0.374 174.992 174.600 0.030 0.000 1.007 529 S CA -0.413 57.803 58.200 0.028 0.000 0.984 529 S CB 0.283 63.498 63.200 0.025 0.000 0.910 529 S HN 0.252 nan 8.310 nan 0.000 0.509 530 L N 2.754 124.000 121.223 0.037 0.000 2.455 530 L HA 0.317 4.657 4.340 -0.000 0.000 0.272 530 L C -0.181 176.701 176.870 0.021 0.000 1.174 530 L CA 0.894 55.750 54.840 0.027 0.000 0.869 530 L CB 0.449 42.523 42.059 0.026 0.000 1.130 530 L HN 0.294 nan 8.230 nan 0.000 0.474 531 Q N 7.215 127.021 119.800 0.009 0.000 2.508 531 Q HA 0.401 4.741 4.340 -0.000 0.000 0.247 531 Q C -2.263 173.730 176.000 -0.011 0.000 1.047 531 Q CA -1.721 54.083 55.803 0.001 0.000 0.783 531 Q CB 1.162 29.891 28.738 -0.015 0.000 1.172 531 Q HN 0.548 nan 8.270 nan 0.000 0.515 532 P HA 0.103 nan 4.420 nan 0.000 0.282 532 P C -0.684 176.603 177.300 -0.022 0.000 1.259 532 P CA -0.612 62.478 63.100 -0.016 0.000 0.826 532 P CB 0.930 32.618 31.700 -0.020 0.000 1.064 533 N N 1.997 120.683 118.700 -0.024 0.000 2.508 533 N HA 0.155 4.895 4.740 -0.000 0.000 0.253 533 N C -0.670 174.830 175.510 -0.016 0.000 1.145 533 N CA -0.174 52.861 53.050 -0.026 0.000 0.973 533 N CB -0.917 37.556 38.487 -0.024 0.000 1.305 533 N HN 0.418 nan 8.380 nan 0.000 0.506 534 I N 2.508 123.072 120.570 -0.009 0.000 2.412 534 I HA 0.488 4.658 4.170 -0.000 0.000 0.296 534 I C -0.486 175.635 176.117 0.008 0.000 0.987 534 I CA -0.376 60.923 61.300 -0.002 0.000 1.180 534 I CB 1.274 39.276 38.000 0.004 0.000 1.340 534 I HN 0.504 nan 8.210 nan 0.000 0.455 535 T N 4.127 118.684 114.554 0.005 0.000 2.906 535 T HA 0.734 5.084 4.350 -0.000 0.000 0.295 535 T C -0.819 173.890 174.700 0.015 0.000 1.061 535 T CA -0.713 61.393 62.100 0.010 0.000 1.000 535 T CB 1.852 70.722 68.868 0.003 0.000 1.103 535 T HN 0.297 nan 8.240 nan 0.000 0.486 536 V N 1.347 121.274 119.914 0.022 0.000 2.735 536 V HA 0.492 4.612 4.120 -0.000 0.000 0.310 536 V C -0.655 175.464 176.094 0.043 0.000 1.061 536 V CA -0.913 61.409 62.300 0.037 0.000 0.913 536 V CB 1.969 33.816 31.823 0.041 0.000 1.005 536 V HN 1.045 nan 8.190 nan 0.000 0.428 537 D N 2.644 123.082 120.400 0.065 0.000 2.347 537 D HA 0.396 5.036 4.640 -0.000 0.000 0.235 537 D C 1.038 177.402 176.300 0.106 0.000 1.149 537 D CA 0.197 54.228 54.000 0.051 0.000 0.850 537 D CB 2.104 42.919 40.800 0.025 0.000 1.061 537 D HN 0.668 nan 8.370 nan 0.000 0.487 538 A N 4.207 127.068 122.820 0.068 0.000 1.997 538 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 538 A C 1.799 179.446 177.584 0.105 0.000 1.172 538 A CA 1.792 53.891 52.037 0.103 0.000 0.645 538 A CB -0.092 18.907 19.000 -0.002 0.000 0.813 538 A HN 0.666 nan 8.150 nan 0.000 0.454 539 Q N -1.328 118.443 119.800 -0.049 0.000 2.123 539 Q HA 0.001 4.341 4.340 -0.000 0.000 0.193 539 Q C 2.229 177.942 176.000 -0.478 0.000 0.981 539 Q CA 1.516 57.184 55.803 -0.224 0.000 0.833 539 Q CB -0.592 28.063 28.738 -0.139 0.000 0.914 539 Q HN 0.697 nan 8.270 nan 0.000 0.484 540 T N -2.119 112.286 114.554 -0.249 0.000 3.051 540 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 540 T C -0.136 174.504 174.700 -0.101 0.000 1.127 540 T CA 0.512 62.486 62.100 -0.211 0.000 1.107 540 T CB -0.247 68.572 68.868 -0.083 0.000 0.898 540 T HN 0.309 nan 8.240 nan 0.000 0.517 541 Y N 0.621 120.915 120.300 -0.011 0.000 4.753 541 Y HA -0.196 4.354 4.550 -0.000 0.000 0.232 541 Y C 0.306 176.196 175.900 -0.017 0.000 1.029 541 Y CA -0.182 57.911 58.100 -0.012 0.000 1.996 541 Y CB -2.940 35.515 38.460 -0.009 0.000 1.602 541 Y HN 0.555 nan 8.280 nan 0.000 0.621 542 E N 0.041 120.310 120.200 0.116 0.000 2.360 542 E HA 0.409 4.759 4.350 -0.000 0.000 0.269 542 E C 0.013 176.638 176.600 0.041 0.000 1.022 542 E CA -0.315 56.118 56.400 0.056 0.000 0.887 542 E CB 1.357 31.073 29.700 0.026 0.000 0.990 542 E HN 0.010 nan 8.360 nan 0.000 0.426 543 V N 3.976 123.899 119.914 0.016 0.000 2.472 543 V HA 0.410 4.530 4.120 -0.000 0.000 0.290 543 V C 0.079 176.170 176.094 -0.006 0.000 1.037 543 V CA -0.518 61.783 62.300 0.002 0.000 0.908 543 V CB 1.317 33.128 31.823 -0.019 0.000 0.985 543 V HN 0.617 nan 8.190 nan 0.000 0.454 544 R N 2.637 123.133 120.500 -0.006 0.000 2.673 544 R HA 0.752 5.092 4.340 -0.000 0.000 0.281 544 R C -1.778 174.514 176.300 -0.014 0.000 0.991 544 R CA -0.729 55.365 56.100 -0.009 0.000 0.896 544 R CB 2.631 32.929 30.300 -0.004 0.000 1.201 544 R HN 0.482 nan 8.270 nan 0.000 0.457 545 V N 3.233 123.138 119.914 -0.016 0.000 2.376 545 V HA 0.176 4.296 4.120 -0.000 0.000 0.287 545 V C -0.398 175.688 176.094 -0.013 0.000 1.015 545 V CA -0.535 61.754 62.300 -0.019 0.000 0.834 545 V CB 1.375 33.182 31.823 -0.026 0.000 1.001 545 V HN 0.871 nan 8.190 nan 0.000 0.428 546 D N 4.433 124.826 120.400 -0.012 0.000 2.746 546 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 546 D C 1.367 177.662 176.300 -0.008 0.000 1.129 546 D CA 1.595 55.589 54.000 -0.011 0.000 0.691 546 D CB -1.049 39.745 40.800 -0.010 0.000 1.077 546 D HN 1.313 nan 8.370 nan 0.000 0.432 547 G N 0.180 108.976 108.800 -0.008 0.000 2.328 547 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.256 547 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.256 547 G C 0.209 175.106 174.900 -0.005 0.000 1.014 547 G CA 0.955 46.051 45.100 -0.006 0.000 0.620 547 G HN 0.743 nan 8.290 nan 0.000 0.530 548 E N 1.141 121.338 120.200 -0.005 0.000 2.338 548 E HA 0.495 4.845 4.350 -0.000 0.000 0.272 548 E C 0.027 176.625 176.600 -0.005 0.000 1.029 548 E CA -0.929 55.469 56.400 -0.004 0.000 0.872 548 E CB 1.305 31.003 29.700 -0.003 0.000 1.015 548 E HN 0.367 nan 8.360 nan 0.000 0.417 549 L N 4.659 125.881 121.223 -0.002 0.000 2.360 549 L HA 0.211 4.551 4.340 -0.000 0.000 0.276 549 L C -0.729 176.139 176.870 -0.003 0.000 1.121 549 L CA -0.253 54.586 54.840 -0.002 0.000 0.845 549 L CB 0.650 42.711 42.059 0.003 0.000 1.143 549 L HN 0.586 nan 8.230 nan 0.000 0.452 550 I N 4.773 125.337 120.570 -0.011 0.000 2.359 550 I HA 0.537 4.707 4.170 -0.000 0.000 0.294 550 I C 0.359 176.467 176.117 -0.016 0.000 0.987 550 I CA -0.057 61.233 61.300 -0.017 0.000 1.225 550 I CB 1.037 39.014 38.000 -0.038 0.000 1.366 550 I HN 0.716 nan 8.210 nan 0.000 0.466 551 T N 3.965 118.518 114.554 -0.002 0.000 2.722 551 T HA 0.603 4.953 4.350 -0.000 0.000 0.314 551 T C -1.406 173.323 174.700 0.048 0.000 1.675 551 T CA -0.375 61.729 62.100 0.008 0.000 1.003 551 T CB 1.203 70.083 68.868 0.020 0.000 1.602 551 T HN 0.810 nan 8.240 nan 0.000 0.496 552 S N 1.229 116.989 115.700 0.100 0.000 2.588 552 S HA 0.751 5.221 4.470 -0.000 0.000 0.269 552 S C -1.735 173.038 174.600 0.288 0.000 1.157 552 S CA -1.049 57.249 58.200 0.163 0.000 0.824 552 S CB 1.922 65.223 63.200 0.169 0.000 1.126 552 S HN 0.665 nan 8.310 nan 0.000 0.464 553 E N 1.936 122.255 120.200 0.197 0.000 2.231 553 E HA 0.477 4.827 4.350 -0.000 0.000 0.277 553 E C -2.533 174.040 176.600 -0.045 0.000 0.999 553 E CA -2.245 54.230 56.400 0.124 0.000 0.827 553 E CB 1.131 30.861 29.700 0.051 0.000 1.101 553 E HN 0.487 nan 8.360 nan 0.000 0.393 554 P HA 0.107 nan 4.420 nan 0.000 0.271 554 P C -0.887 176.266 177.300 -0.245 0.000 1.216 554 P CA -0.192 62.517 63.100 -0.653 0.000 0.771 554 P CB 0.789 31.985 31.700 -0.841 0.000 0.864 555 A N 3.201 125.928 122.820 -0.155 0.000 2.327 555 A HA 0.250 4.570 4.320 -0.000 0.000 0.283 555 A C 1.261 178.813 177.584 -0.054 0.000 1.127 555 A CA -0.493 51.512 52.037 -0.053 0.000 0.810 555 A CB 0.165 19.172 19.000 0.012 0.000 1.066 555 A HN 0.657 nan 8.150 nan 0.000 0.492 556 D N 0.776 121.161 120.400 -0.026 0.000 2.277 556 D HA 0.054 4.694 4.640 -0.000 0.000 0.209 556 D C 0.026 176.325 176.300 -0.003 0.000 0.970 556 D CA 0.669 54.657 54.000 -0.020 0.000 0.874 556 D CB 0.079 40.870 40.800 -0.014 0.000 0.982 556 D HN 0.189 nan 8.370 nan 0.000 0.504 557 V N 1.221 121.141 119.914 0.011 0.000 2.733 557 V HA 0.373 4.493 4.120 -0.000 0.000 0.306 557 V C -0.529 175.579 176.094 0.023 0.000 1.084 557 V CA -0.830 61.480 62.300 0.016 0.000 0.905 557 V CB 2.450 34.282 31.823 0.015 0.000 1.010 557 V HN 0.059 nan 8.190 nan 0.000 0.424 558 L N 5.019 126.248 121.223 0.009 0.000 2.319 558 L HA 0.685 5.025 4.340 -0.000 0.000 0.267 558 L C -2.423 174.410 176.870 -0.061 0.000 1.011 558 L CA -1.820 53.006 54.840 -0.022 0.000 0.818 558 L CB 2.613 44.677 42.059 0.007 0.000 1.316 558 L HN 0.435 nan 8.230 nan 0.000 0.432 559 P HA 0.362 nan 4.420 nan 0.000 0.282 559 P C -0.443 176.866 177.300 0.014 0.000 1.287 559 P CA -0.581 62.444 63.100 -0.124 0.000 0.792 559 P CB 0.414 31.921 31.700 -0.323 0.000 1.163 560 M N -2.321 117.358 119.600 0.130 0.000 2.302 560 M HA -0.273 4.207 4.480 -0.000 0.000 0.200 560 M C 0.164 176.635 176.300 0.286 0.000 0.366 560 M CA 0.699 56.066 55.300 0.111 0.000 0.440 560 M CB -2.090 30.489 32.600 -0.035 0.000 1.475 560 M HN 0.496 nan 8.290 nan 0.000 0.905 561 A N -0.383 122.647 122.820 0.349 0.000 2.905 561 A HA 0.332 4.652 4.320 -0.000 0.000 0.193 561 A C 0.963 178.760 177.584 0.355 0.000 1.268 561 A CA 0.172 52.410 52.037 0.335 0.000 1.416 561 A CB 0.073 19.169 19.000 0.159 0.000 1.753 561 A HN 0.451 nan 8.150 nan 0.000 0.583 562 Q N -0.183 119.728 119.800 0.184 0.000 2.368 562 Q HA -0.165 4.175 4.340 -0.000 0.000 0.210 562 Q C 1.911 177.927 176.000 0.026 0.000 0.982 562 Q CA 1.524 57.397 55.803 0.116 0.000 0.884 562 Q CB -0.143 28.626 28.738 0.052 0.000 0.933 562 Q HN 0.544 nan 8.270 nan 0.000 0.460 563 R N -0.538 119.928 120.500 -0.057 0.000 2.236 563 R HA -0.104 4.236 4.340 -0.000 0.000 0.208 563 R C 0.721 176.738 176.300 -0.471 0.000 1.036 563 R CA 0.941 56.852 56.100 -0.315 0.000 1.001 563 R CB 0.283 30.280 30.300 -0.505 0.000 0.896 563 R HN 0.272 nan 8.270 nan 0.000 0.464 564 Y N -1.840 118.377 120.300 -0.139 0.000 2.535 564 Y HA 0.263 4.813 4.550 -0.000 0.000 0.264 564 Y C -0.065 175.566 175.900 -0.448 0.000 1.087 564 Y CA -0.512 57.400 58.100 -0.314 0.000 1.285 564 Y CB 0.479 38.622 38.460 -0.528 0.000 1.200 564 Y HN -0.169 nan 8.280 nan 0.000 0.514 565 F N 0.105 120.171 119.950 0.194 0.000 2.404 565 F HA 0.272 4.799 4.527 -0.000 0.000 0.339 565 F C 0.851 176.666 175.800 0.025 0.000 1.105 565 F CA -0.933 57.143 58.000 0.127 0.000 1.087 565 F CB 1.289 40.366 39.000 0.128 0.000 1.143 565 F HN -0.186 nan 8.300 nan 0.000 0.491 566 L N 1.995 123.315 121.223 0.161 0.000 2.156 566 L HA 0.127 4.467 4.340 -0.000 0.000 0.208 566 L C -0.293 176.326 176.870 -0.418 0.000 1.095 566 L CA 1.770 56.520 54.840 -0.150 0.000 0.770 566 L CB -0.311 41.648 42.059 -0.168 0.000 0.914 566 L HN 0.410 nan 8.230 nan 0.000 0.439 567 F N 0.000 120.040 119.950 0.150 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.051 58.000 0.086 0.000 1.383 567 F CB 0.000 39.031 39.000 0.051 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574