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 2ics_1_A DATA FIRST_RESID 4 DATA SEQUENCE DYDLLIKNGQ TVNGXPVEIA IKEKKIAAVA ATISGSAKET IHLEPGTYVS DATA SEQUENCE AGWIDDHVHC FEKXALYYDY PDEIGVKKGV TTVIDAGTTG AENIHEFYDL DATA SEQUENCE AQQAKTNVFG LVNISKWGIV AQDELADLSK VQASLVKKAI QELPDFVVGI DATA SEQUENCE XARXSRTVIG DNGITPLELA KQIQQENQEI PLXVHIGSAP PHLDEILALX DATA SEQUENCE EKGDVLTHCF NGKENGILDQ ATDKIKDFAW QAYNKGVVFD IGHGTDSFNF DATA SEQUENCE HVAETALREG XKAASISTDI YIRNRENGPV YDLATTXEKL RVVGYDWPEI DATA SEQUENCE IEKVTKAPAE NFHLTQKGTL EIGKDADLTI FTIQAEEKTL TDSNGLTRVA DATA SEQUENCE KEQIRPIKTI IGGQIYDN 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.007 176.300 -0.489 0.000 2.045 4 D CA 0.000 53.789 54.000 -0.351 0.000 0.868 4 D CB 0.000 40.697 40.800 -0.172 0.000 0.688 5 Y N 0.158 120.452 120.300 -0.009 0.000 2.677 5 Y HA 0.282 4.830 4.550 -0.003 0.000 0.334 5 Y C 1.037 176.927 175.900 -0.016 0.000 1.154 5 Y CA -0.752 57.341 58.100 -0.012 0.000 1.070 5 Y CB 1.113 39.564 38.460 -0.015 0.000 1.294 5 Y HN 0.113 nan 8.280 nan 0.000 0.475 6 D N 0.025 120.526 120.400 0.169 0.000 2.259 6 D HA 0.100 4.739 4.640 -0.002 0.000 0.216 6 D C -0.430 175.897 176.300 0.045 0.000 0.961 6 D CA 1.113 55.157 54.000 0.073 0.000 0.878 6 D CB 0.774 41.600 40.800 0.043 0.000 1.009 6 D HN 0.202 nan 8.370 nan 0.000 0.490 7 L N 0.495 121.737 121.223 0.033 0.000 2.422 7 L HA 0.513 4.852 4.340 -0.002 0.000 0.264 7 L C -1.983 174.852 176.870 -0.059 0.000 0.984 7 L CA -0.884 53.943 54.840 -0.022 0.000 0.819 7 L CB 2.398 44.427 42.059 -0.049 0.000 1.330 7 L HN -0.215 nan 8.230 nan 0.000 0.410 8 L N 5.116 126.292 121.223 -0.079 0.000 2.438 8 L HA 0.667 5.006 4.340 -0.002 0.000 0.270 8 L C -1.458 175.321 176.870 -0.152 0.000 0.972 8 L CA -0.114 54.655 54.840 -0.120 0.000 0.831 8 L CB 1.850 43.871 42.059 -0.063 0.000 1.273 8 L HN 0.532 nan 8.230 nan 0.000 0.405 9 I N 5.453 125.933 120.570 -0.149 0.000 2.382 9 I HA 0.456 4.625 4.170 -0.002 0.000 0.286 9 I C -0.358 175.679 176.117 -0.133 0.000 1.002 9 I CA -0.622 60.589 61.300 -0.149 0.000 1.135 9 I CB 1.169 39.100 38.000 -0.115 0.000 1.288 9 I HN 0.439 nan 8.210 nan 0.000 0.448 10 K N 3.932 124.242 120.400 -0.151 0.000 2.238 10 K HA 0.455 4.774 4.320 -0.002 0.000 0.239 10 K C 0.145 176.719 176.600 -0.043 0.000 0.987 10 K CA -1.076 55.164 56.287 -0.079 0.000 0.857 10 K CB 1.214 33.692 32.500 -0.036 0.000 1.154 10 K HN 0.498 nan 8.250 nan 0.000 0.439 11 N N -0.853 117.835 118.700 -0.020 0.000 2.782 11 N HA -0.146 4.593 4.740 -0.002 0.000 0.251 11 N C -0.137 175.331 175.510 -0.070 0.000 1.101 11 N CA 1.126 54.159 53.050 -0.029 0.000 0.764 11 N CB -0.873 37.610 38.487 -0.006 0.000 1.122 11 N HN 0.858 nan 8.380 nan 0.000 0.561 12 G N -0.537 108.218 108.800 -0.075 0.000 2.580 12 G HA2 0.486 4.445 3.960 -0.002 0.000 0.278 12 G HA3 0.486 4.445 3.960 -0.002 0.000 0.278 12 G C -0.627 174.219 174.900 -0.090 0.000 1.212 12 G CA -0.170 44.869 45.100 -0.101 0.000 0.939 12 G HN 0.304 nan 8.290 nan 0.000 0.513 13 Q N -1.051 118.687 119.800 -0.104 0.000 2.320 13 Q HA 0.428 4.767 4.340 -0.002 0.000 0.272 13 Q C -0.217 175.824 176.000 0.069 0.000 1.023 13 Q CA -0.743 55.033 55.803 -0.045 0.000 0.855 13 Q CB 1.895 30.554 28.738 -0.131 0.000 1.367 13 Q HN 0.767 nan 8.270 nan 0.000 0.406 14 T N -1.239 113.393 114.554 0.129 0.000 2.816 14 T HA 0.166 4.515 4.350 -0.002 0.000 0.282 14 T C 1.037 175.914 174.700 0.296 0.000 0.993 14 T CA -0.227 61.988 62.100 0.191 0.000 0.994 14 T CB 1.130 70.082 68.868 0.141 0.000 1.025 14 T HN 0.447 nan 8.240 nan 0.000 0.529 15 V N 1.436 121.490 119.914 0.233 0.000 2.867 15 V HA -0.088 4.031 4.120 -0.002 0.000 0.260 15 V C 1.723 177.901 176.094 0.139 0.000 1.099 15 V CA 1.865 64.224 62.300 0.099 0.000 1.122 15 V CB -1.434 30.465 31.823 0.125 0.000 0.708 15 V HN 0.886 nan 8.190 nan 0.000 0.490 16 N N 0.019 118.811 118.700 0.153 0.000 2.398 16 N HA 0.368 5.107 4.740 -0.002 0.000 0.188 16 N C 0.648 176.236 175.510 0.131 0.000 1.122 16 N CA 0.541 53.667 53.050 0.128 0.000 0.866 16 N CB 0.457 39.005 38.487 0.103 0.000 0.970 16 N HN 0.669 nan 8.380 nan 0.000 0.462 20 V N 1.141 121.049 119.914 -0.011 0.000 3.012 20 V HA 0.685 4.804 4.120 -0.002 0.000 0.307 20 V C -1.576 174.499 176.094 -0.030 0.000 1.166 20 V CA -0.244 62.049 62.300 -0.012 0.000 0.974 20 V CB 2.461 34.285 31.823 0.001 0.000 1.040 20 V HN 0.624 nan 8.190 nan 0.000 0.428 21 E N 5.053 125.231 120.200 -0.036 0.000 2.292 21 E HA 0.569 4.918 4.350 -0.002 0.000 0.272 21 E C -1.800 174.754 176.600 -0.077 0.000 0.881 21 E CA -0.691 55.675 56.400 -0.057 0.000 0.754 21 E CB 2.855 32.526 29.700 -0.048 0.000 1.201 21 E HN 0.487 nan 8.360 nan 0.000 0.425 22 I N 1.588 122.097 120.570 -0.103 0.000 2.465 22 I HA 0.441 4.610 4.170 -0.002 0.000 0.291 22 I C -0.441 175.550 176.117 -0.210 0.000 1.014 22 I CA -0.504 60.718 61.300 -0.129 0.000 1.093 22 I CB 1.965 39.912 38.000 -0.090 0.000 1.267 22 I HN 0.532 nan 8.210 nan 0.000 0.431 23 A N 7.255 129.882 122.820 -0.322 0.000 2.288 23 A HA 0.899 5.218 4.320 -0.002 0.000 0.320 23 A C -0.584 176.766 177.584 -0.391 0.000 1.217 23 A CA -0.401 51.281 52.037 -0.591 0.000 0.840 23 A CB 0.416 18.620 19.000 -1.325 0.000 1.179 23 A HN 0.646 nan 8.150 nan 0.000 0.504 24 I N 2.139 122.561 120.570 -0.246 0.000 2.509 24 I HA 0.517 4.686 4.170 -0.002 0.000 0.293 24 I C -0.289 175.840 176.117 0.019 0.000 1.020 24 I CA -0.619 60.629 61.300 -0.087 0.000 1.088 24 I CB 2.398 40.363 38.000 -0.058 0.000 1.267 24 I HN 0.821 nan 8.210 nan 0.000 0.430 25 K N 4.570 125.001 120.400 0.051 0.000 2.571 25 K HA 0.417 4.735 4.320 -0.002 0.000 0.252 25 K C -1.030 175.603 176.600 0.055 0.000 0.956 25 K CA -0.638 55.700 56.287 0.086 0.000 0.822 25 K CB 1.810 34.404 32.500 0.158 0.000 1.286 25 K HN 0.404 nan 8.250 nan 0.000 0.439 26 E N 2.340 122.565 120.200 0.042 0.000 2.287 26 E HA -0.191 4.158 4.350 -0.002 0.000 0.229 26 E C -0.754 175.865 176.600 0.032 0.000 1.194 26 E CA 1.100 57.520 56.400 0.034 0.000 0.704 26 E CB -1.395 28.326 29.700 0.036 0.000 1.216 26 E HN 0.883 nan 8.360 nan 0.000 0.381 27 K N -1.869 118.547 120.400 0.027 0.000 3.274 27 K HA -0.252 4.067 4.320 -0.002 0.000 0.305 27 K C 0.096 176.715 176.600 0.033 0.000 1.225 27 K CA 2.088 58.393 56.287 0.029 0.000 0.904 27 K CB -0.744 31.777 32.500 0.036 0.000 1.227 27 K HN 0.485 nan 8.250 nan 0.000 0.453 28 K N -0.249 120.168 120.400 0.030 0.000 2.395 28 K HA 0.516 4.835 4.320 -0.002 0.000 0.247 28 K C -0.185 176.423 176.600 0.014 0.000 0.973 28 K CA -1.003 55.301 56.287 0.029 0.000 0.828 28 K CB 1.737 34.258 32.500 0.035 0.000 1.272 28 K HN -0.081 nan 8.250 nan 0.000 0.439 29 I N 2.212 122.788 120.570 0.009 0.000 2.436 29 I HA 0.010 4.179 4.170 -0.002 0.000 0.289 29 I C 0.878 176.986 176.117 -0.014 0.000 1.083 29 I CA 0.217 61.507 61.300 -0.016 0.000 1.372 29 I CB 1.163 39.158 38.000 -0.008 0.000 1.408 29 I HN 0.822 nan 8.210 nan 0.000 0.516 30 A N 5.601 128.393 122.820 -0.046 0.000 2.115 30 A HA 0.675 4.994 4.320 -0.002 0.000 0.211 30 A C 0.825 178.391 177.584 -0.030 0.000 1.169 30 A CA 0.617 52.653 52.037 -0.003 0.000 0.787 30 A CB 0.254 19.303 19.000 0.082 0.000 0.858 30 A HN 0.774 nan 8.150 nan 0.000 0.474 31 A N -1.413 121.332 122.820 -0.124 0.000 2.594 31 A HA 0.562 4.881 4.320 -0.002 0.000 0.296 31 A C -1.599 175.919 177.584 -0.110 0.000 1.056 31 A CA -0.283 51.696 52.037 -0.098 0.000 0.693 31 A CB 0.775 19.714 19.000 -0.102 0.000 1.278 31 A HN 0.642 nan 8.150 nan 0.000 0.408 32 V N 0.392 120.274 119.914 -0.054 0.000 2.612 32 V HA 0.884 5.003 4.120 -0.002 0.000 0.301 32 V C 0.117 176.199 176.094 -0.020 0.000 1.059 32 V CA 0.300 62.575 62.300 -0.042 0.000 0.886 32 V CB 1.214 33.025 31.823 -0.020 0.000 1.007 32 V HN 2.234 nan 8.190 nan 0.000 0.426 33 A N 3.121 125.928 122.820 -0.021 0.000 2.586 33 A HA 0.886 5.205 4.320 -0.002 0.000 0.290 33 A C 0.675 178.255 177.584 -0.005 0.000 1.086 33 A CA 0.117 52.151 52.037 -0.005 0.000 0.665 33 A CB 1.078 20.079 19.000 0.002 0.000 1.279 33 A HN 1.483 nan 8.150 nan 0.000 0.423 34 A N -0.343 122.479 122.820 0.003 0.000 1.972 34 A HA 0.363 4.682 4.320 -0.002 0.000 0.219 34 A C 0.966 178.550 177.584 -0.000 0.000 1.169 34 A CA 2.321 54.359 52.037 0.002 0.000 0.635 34 A CB -0.320 18.684 19.000 0.008 0.000 0.810 34 A HN 1.191 nan 8.150 nan 0.000 0.446 35 T N -0.490 114.066 114.554 0.004 0.000 3.032 35 T HA 0.574 4.923 4.350 -0.002 0.000 0.312 35 T C -0.956 173.752 174.700 0.014 0.000 1.078 35 T CA -0.213 61.892 62.100 0.008 0.000 1.028 35 T CB 1.340 70.217 68.868 0.014 0.000 1.091 35 T HN 0.160 nan 8.240 nan 0.000 0.457 36 I N 2.419 122.997 120.570 0.015 0.000 2.439 36 I HA 0.382 4.551 4.170 -0.002 0.000 0.283 36 I C 0.069 176.225 176.117 0.065 0.000 1.023 36 I CA -0.679 60.641 61.300 0.034 0.000 1.100 36 I CB 1.803 39.798 38.000 -0.009 0.000 1.238 36 I HN 0.490 nan 8.210 nan 0.000 0.445 37 S N 4.888 120.635 115.700 0.079 0.000 2.415 37 S HA 0.805 5.274 4.470 -0.002 0.000 0.313 37 S C -0.121 174.544 174.600 0.107 0.000 1.067 37 S CA -0.316 57.931 58.200 0.078 0.000 1.099 37 S CB 0.318 63.549 63.200 0.052 0.000 0.991 37 S HN 0.887 nan 8.310 nan 0.000 0.491 38 G N 2.288 111.168 108.800 0.133 0.000 2.608 38 G HA2 0.532 4.491 3.960 -0.002 0.000 0.291 38 G HA3 0.532 4.491 3.960 -0.002 0.000 0.291 38 G C -1.089 173.872 174.900 0.102 0.000 1.425 38 G CA -0.631 44.543 45.100 0.124 0.000 0.787 38 G HN 0.821 nan 8.290 nan 0.000 0.484 39 S N -1.109 114.599 115.700 0.013 0.000 2.578 39 S HA 0.902 5.371 4.470 -0.002 0.000 0.283 39 S C -0.000 174.631 174.600 0.053 0.000 1.195 39 S CA 0.077 58.288 58.200 0.017 0.000 1.050 39 S CB 1.826 65.007 63.200 -0.031 0.000 1.012 39 S HN 2.189 nan 8.310 nan 0.000 0.511 40 A N 1.593 124.453 122.820 0.067 0.000 2.594 40 A HA 0.607 4.926 4.320 -0.002 0.000 0.296 40 A C 0.595 178.204 177.584 0.041 0.000 1.061 40 A CA -0.887 51.201 52.037 0.086 0.000 0.689 40 A CB 0.900 19.984 19.000 0.140 0.000 1.280 40 A HN 0.579 nan 8.150 nan 0.000 0.406 41 K N 0.429 120.848 120.400 0.031 0.000 2.059 41 K HA -0.129 4.190 4.320 -0.002 0.000 0.212 41 K C 0.556 177.159 176.600 0.005 0.000 1.050 41 K CA 1.897 58.192 56.287 0.012 0.000 0.927 41 K CB 0.031 32.535 32.500 0.007 0.000 0.714 41 K HN 0.758 nan 8.250 nan 0.000 0.447 42 E N -0.425 119.774 120.200 -0.002 0.000 2.340 42 E HA 0.249 4.597 4.350 -0.002 0.000 0.273 42 E C -1.408 175.168 176.600 -0.039 0.000 0.891 42 E CA -0.291 56.098 56.400 -0.018 0.000 0.757 42 E CB 2.083 31.763 29.700 -0.033 0.000 1.231 42 E HN -0.141 nan 8.360 nan 0.000 0.439 43 T N 3.428 117.943 114.554 -0.064 0.000 2.881 43 T HA 0.469 4.818 4.350 -0.002 0.000 0.290 43 T C -0.386 174.151 174.700 -0.273 0.000 1.000 43 T CA -0.486 61.516 62.100 -0.165 0.000 0.978 43 T CB 0.566 69.341 68.868 -0.155 0.000 0.997 43 T HN 0.317 nan 8.240 nan 0.000 0.443 44 I N 3.444 123.824 120.570 -0.317 0.000 2.359 44 I HA 0.318 4.487 4.170 -0.002 0.000 0.294 44 I C -0.048 175.816 176.117 -0.421 0.000 0.987 44 I CA -0.848 60.289 61.300 -0.270 0.000 1.225 44 I CB 0.951 38.859 38.000 -0.153 0.000 1.366 44 I HN 0.540 nan 8.210 nan 0.000 0.466 45 H N 7.408 126.455 119.070 -0.038 0.000 2.691 45 H HA 0.388 4.942 4.556 -0.004 0.000 0.281 45 H C -0.284 175.014 175.328 -0.050 0.000 1.121 45 H CA -0.526 55.498 56.048 -0.041 0.000 1.254 45 H CB 0.895 30.637 29.762 -0.033 0.000 1.390 45 H HN 0.375 nan 8.280 nan 0.000 0.491 46 L N 1.882 123.106 121.223 0.001 0.000 2.473 46 L HA 0.034 4.373 4.340 -0.002 0.000 0.268 46 L C 1.072 177.924 176.870 -0.030 0.000 1.215 46 L CA -0.090 54.729 54.840 -0.036 0.000 0.823 46 L CB 0.554 42.563 42.059 -0.082 0.000 1.099 46 L HN 0.369 nan 8.230 nan 0.000 0.483 47 E N 1.753 121.922 120.200 -0.051 0.000 2.366 47 E HA 0.213 4.562 4.350 -0.002 0.000 0.266 47 E C -2.185 174.362 176.600 -0.088 0.000 1.051 47 E CA -1.939 54.428 56.400 -0.056 0.000 0.884 47 E CB 0.417 30.084 29.700 -0.055 0.000 1.006 47 E HN 0.256 nan 8.360 nan 0.000 0.417 48 P HA 0.035 nan 4.420 nan 0.000 0.265 48 P C 0.563 177.775 177.300 -0.146 0.000 1.193 48 P CA 0.940 63.979 63.100 -0.101 0.000 0.765 48 P CB 0.453 32.111 31.700 -0.070 0.000 0.823 49 G N 1.351 110.020 108.800 -0.218 0.000 2.176 49 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.232 49 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.232 49 G C 0.230 174.822 174.900 -0.514 0.000 0.986 49 G CA -0.145 44.758 45.100 -0.327 0.000 0.643 49 G HN 0.578 nan 8.290 nan 0.000 0.522 50 T N 1.114 115.422 114.554 -0.410 0.000 2.856 50 T HA 0.570 4.919 4.350 -0.002 0.000 0.292 50 T C -0.145 174.218 174.700 -0.561 0.000 0.980 50 T CA 0.059 61.910 62.100 -0.415 0.000 1.091 50 T CB 0.973 69.697 68.868 -0.239 0.000 0.936 50 T HN 0.217 nan 8.240 nan 0.000 0.503 51 Y N 1.132 121.137 120.300 -0.492 0.000 2.403 51 Y HA 0.607 5.156 4.550 -0.002 0.000 0.323 51 Y C 0.262 175.686 175.900 -0.794 0.000 1.226 51 Y CA -0.893 56.790 58.100 -0.694 0.000 1.235 51 Y CB 1.108 38.927 38.460 -1.069 0.000 1.248 51 Y HN 0.271 nan 8.280 nan 0.000 0.489 52 V N 1.196 120.946 119.914 -0.272 0.000 2.888 52 V HA 0.704 4.822 4.120 -0.002 0.000 0.309 52 V C -0.696 175.483 176.094 0.143 0.000 1.114 52 V CA -0.851 61.390 62.300 -0.098 0.000 0.940 52 V CB 1.701 33.488 31.823 -0.059 0.000 1.021 52 V HN 0.880 nan 8.190 nan 0.000 0.426 53 S N 2.377 118.245 115.700 0.279 0.000 2.776 53 S HA 0.933 5.401 4.470 -0.002 0.000 0.292 53 S C -0.232 174.509 174.600 0.234 0.000 1.187 53 S CA -0.250 58.152 58.200 0.337 0.000 0.834 53 S CB 1.698 65.252 63.200 0.591 0.000 1.199 53 S HN 1.729 nan 8.310 nan 0.000 0.514 54 A N 0.334 123.292 122.820 0.231 0.000 2.425 54 A HA 0.615 4.934 4.320 -0.002 0.000 0.242 54 A C 0.972 178.678 177.584 0.204 0.000 1.077 54 A CA 0.011 52.153 52.037 0.176 0.000 0.781 54 A CB -0.981 18.118 19.000 0.165 0.000 1.020 54 A HN 1.695 nan 8.150 nan 0.000 0.494 55 G N 0.787 109.667 108.800 0.133 0.000 2.265 55 G HA2 0.259 4.218 3.960 -0.002 0.000 0.240 55 G HA3 0.259 4.218 3.960 -0.002 0.000 0.240 55 G C -0.069 174.980 174.900 0.248 0.000 1.270 55 G CA -0.279 44.882 45.100 0.102 0.000 0.901 55 G HN 0.527 nan 8.290 nan 0.000 0.507 56 W N 1.328 122.668 121.300 0.066 0.000 2.170 56 W HA 0.392 5.052 4.660 0.001 0.000 0.342 56 W C 0.441 176.991 176.519 0.050 0.000 1.294 56 W CA -0.725 56.645 57.345 0.041 0.000 1.246 56 W CB -0.101 29.363 29.460 0.006 0.000 1.156 56 W HN 0.203 nan 8.180 nan 0.000 0.572 57 I N 2.650 123.379 120.570 0.266 0.000 2.466 57 I HA 0.066 4.235 4.170 -0.002 0.000 0.289 57 I C -0.406 175.786 176.117 0.124 0.000 1.026 57 I CA -0.756 60.650 61.300 0.176 0.000 1.078 57 I CB 1.888 39.978 38.000 0.151 0.000 1.249 57 I HN 0.109 nan 8.210 nan 0.000 0.429 58 D N 5.821 126.285 120.400 0.107 0.000 2.454 58 D HA 0.106 4.745 4.640 -0.002 0.000 0.225 58 D C 0.313 176.644 176.300 0.051 0.000 1.081 58 D CA -0.300 53.742 54.000 0.071 0.000 0.864 58 D CB 1.013 41.852 40.800 0.066 0.000 1.040 58 D HN 0.540 nan 8.370 nan 0.000 0.517 59 D N 1.772 122.206 120.400 0.057 0.000 2.324 59 D HA -0.064 4.575 4.640 -0.002 0.000 0.235 59 D C -0.065 176.218 176.300 -0.029 0.000 1.095 59 D CA 0.070 54.067 54.000 -0.005 0.000 0.871 59 D CB -0.545 40.334 40.800 0.131 0.000 0.906 59 D HN 0.477 nan 8.370 nan 0.000 0.522 60 H N -1.044 117.971 119.070 -0.093 0.000 3.108 60 H HA 0.510 5.065 4.556 -0.002 0.000 0.301 60 H C -1.743 173.492 175.328 -0.155 0.000 1.139 60 H CA -0.707 55.262 56.048 -0.132 0.000 1.552 60 H CB 0.789 30.507 29.762 -0.074 0.000 1.663 60 H HN -0.119 nan 8.280 nan 0.000 0.517 61 V N 3.734 123.637 119.914 -0.019 0.000 3.181 61 V HA 0.320 4.439 4.120 -0.002 0.000 0.308 61 V C -0.937 174.911 176.094 -0.410 0.000 1.214 61 V CA -0.809 61.430 62.300 -0.102 0.000 1.053 61 V CB 2.560 34.373 31.823 -0.017 0.000 1.069 61 V HN 0.753 nan 8.190 nan 0.000 0.441 62 H N 1.450 120.538 119.070 0.029 0.000 3.036 62 H HA 0.327 4.882 4.556 -0.002 0.000 0.295 62 H C -0.391 174.923 175.328 -0.024 0.000 1.124 62 H CA -0.232 55.790 56.048 -0.043 0.000 1.507 62 H CB 1.288 30.890 29.762 -0.268 0.000 1.591 62 H HN 0.850 nan 8.280 nan 0.000 0.510 63 C N 1.608 120.968 119.300 0.101 0.000 2.859 63 C HA 0.382 4.840 4.460 -0.002 0.000 0.256 63 C C 0.473 175.554 174.990 0.152 0.000 1.660 63 C CA -0.834 58.265 59.018 0.134 0.000 1.755 63 C CB -1.769 26.092 27.740 0.202 0.000 3.127 63 C HN 0.652 nan 8.230 nan 0.000 0.494 64 F N 3.576 123.317 119.950 -0.350 0.000 2.423 64 F HA 0.251 4.777 4.527 -0.002 0.000 0.356 64 F C 1.665 177.374 175.800 -0.152 0.000 1.170 64 F CA -0.330 57.340 58.000 -0.550 0.000 1.163 64 F CB 0.721 39.177 39.000 -0.907 0.000 1.318 64 F HN 0.569 nan 8.300 nan 0.000 0.569 65 E N 3.461 123.721 120.200 0.100 0.000 2.331 65 E HA -0.145 4.203 4.350 -0.002 0.000 0.199 65 E C 0.101 176.424 176.600 -0.461 0.000 1.008 65 E CA 0.725 57.011 56.400 -0.190 0.000 0.843 65 E CB 0.096 29.711 29.700 -0.142 0.000 0.761 65 E HN 0.345 nan 8.360 nan 0.000 0.507 69 L N -1.672 119.643 121.223 0.153 0.000 2.362 69 L HA 0.276 4.615 4.340 -0.002 0.000 0.204 69 L C 0.834 177.934 176.870 0.384 0.000 1.060 69 L CA 0.605 55.619 54.840 0.291 0.000 0.827 69 L CB -0.120 42.039 42.059 0.168 0.000 1.027 69 L HN 0.472 nan 8.230 nan 0.000 0.474 70 Y N 2.774 123.068 120.300 -0.010 0.000 2.573 70 Y HA 0.190 4.739 4.550 -0.001 0.000 0.346 70 Y C -0.336 175.572 175.900 0.014 0.000 1.198 70 Y CA -1.015 56.938 58.100 -0.245 0.000 1.627 70 Y CB -0.974 37.238 38.460 -0.413 0.000 1.457 70 Y HN 0.092 nan 8.280 nan 0.000 0.483 71 Y N 0.158 120.453 120.300 -0.009 0.000 2.764 71 Y HA 0.758 5.307 4.550 -0.002 0.000 0.331 71 Y C -1.640 174.224 175.900 -0.061 0.000 1.280 71 Y CA -1.355 56.700 58.100 -0.076 0.000 1.065 71 Y CB 1.554 39.903 38.460 -0.185 0.000 1.319 71 Y HN 0.164 nan 8.280 nan 0.000 0.453 72 D N -1.075 119.228 120.400 -0.162 0.000 2.769 72 D HA 0.250 4.889 4.640 -0.002 0.000 0.309 72 D C -2.198 173.953 176.300 -0.249 0.000 1.315 72 D CA -0.672 53.167 54.000 -0.268 0.000 0.780 72 D CB 1.462 42.192 40.800 -0.116 0.000 1.312 72 D HN 0.581 nan 8.370 nan 0.000 0.437 73 Y N 0.774 121.148 120.300 0.124 0.000 2.342 73 Y HA 0.295 4.844 4.550 -0.001 0.000 0.338 73 Y C -1.406 174.552 175.900 0.097 0.000 0.965 73 Y CA -1.514 56.664 58.100 0.131 0.000 1.159 73 Y CB 1.435 39.956 38.460 0.102 0.000 1.157 73 Y HN 0.164 nan 8.280 nan 0.000 0.486 74 P HA -0.281 nan 4.420 nan 0.000 0.222 74 P C 0.791 178.150 177.300 0.098 0.000 1.159 74 P CA 2.050 65.241 63.100 0.151 0.000 0.920 74 P CB 0.380 32.167 31.700 0.146 0.000 0.793 75 D N -1.533 118.917 120.400 0.085 0.000 2.312 75 D HA -0.098 4.541 4.640 -0.002 0.000 0.211 75 D C 1.699 178.018 176.300 0.032 0.000 0.964 75 D CA 0.726 54.737 54.000 0.018 0.000 0.877 75 D CB -0.341 40.442 40.800 -0.028 0.000 0.924 75 D HN 0.263 nan 8.370 nan 0.000 0.515 76 E N 0.340 120.591 120.200 0.086 0.000 2.285 76 E HA -0.014 4.335 4.350 -0.002 0.000 0.194 76 E C 2.174 178.812 176.600 0.063 0.000 0.997 76 E CA 0.287 56.732 56.400 0.075 0.000 0.845 76 E CB 0.273 30.045 29.700 0.120 0.000 0.782 76 E HN 0.542 nan 8.360 nan 0.000 0.491 77 I N -4.178 116.433 120.570 0.068 0.000 4.057 77 I HA 0.372 4.541 4.170 -0.002 0.000 0.334 77 I C 1.311 177.464 176.117 0.059 0.000 1.308 77 I CA 0.072 61.407 61.300 0.057 0.000 1.125 77 I CB 0.518 38.550 38.000 0.053 0.000 1.034 77 I HN -0.147 nan 8.210 nan 0.000 0.401 78 G N 1.233 110.060 108.800 0.045 0.000 3.198 78 G HA2 0.080 4.038 3.960 -0.002 0.000 0.203 78 G HA3 0.080 4.038 3.960 -0.002 0.000 0.203 78 G C 0.968 175.869 174.900 0.002 0.000 1.950 78 G CA 0.546 45.666 45.100 0.032 0.000 0.798 78 G HN -0.004 nan 8.290 nan 0.000 0.720 79 V N 1.143 121.021 119.914 -0.059 0.000 2.313 79 V HA -0.236 3.883 4.120 -0.002 0.000 0.253 79 V C 2.623 178.676 176.094 -0.069 0.000 1.070 79 V CA 3.000 65.231 62.300 -0.115 0.000 1.057 79 V CB -0.533 31.102 31.823 -0.313 0.000 0.653 79 V HN 0.536 nan 8.190 nan 0.000 0.450 80 K N -0.637 119.735 120.400 -0.047 0.000 2.515 80 K HA -0.032 4.287 4.320 -0.002 0.000 0.196 80 K C 1.142 177.752 176.600 0.015 0.000 1.038 80 K CA 0.592 56.871 56.287 -0.013 0.000 0.967 80 K CB -0.015 32.482 32.500 -0.005 0.000 0.780 80 K HN 0.364 nan 8.250 nan 0.000 0.483 81 K N -0.509 119.909 120.400 0.030 0.000 2.506 81 K HA 0.138 4.457 4.320 -0.002 0.000 0.204 81 K C 0.597 177.246 176.600 0.082 0.000 1.045 81 K CA 0.284 56.614 56.287 0.073 0.000 1.074 81 K CB 1.294 33.853 32.500 0.098 0.000 0.842 81 K HN 0.261 nan 8.250 nan 0.000 0.514 82 G N 1.069 109.858 108.800 -0.018 0.000 2.148 82 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.254 82 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.254 82 G C 0.071 174.908 174.900 -0.105 0.000 0.981 82 G CA 0.290 45.281 45.100 -0.181 0.000 0.670 82 G HN 0.123 nan 8.290 nan 0.000 0.528 83 V N 1.861 121.817 119.914 0.069 0.000 2.348 83 V HA 0.463 4.582 4.120 -0.002 0.000 0.270 83 V C 1.694 177.832 176.094 0.074 0.000 1.037 83 V CA 0.493 62.882 62.300 0.149 0.000 0.872 83 V CB 1.002 32.931 31.823 0.176 0.000 1.002 83 V HN 0.613 nan 8.190 nan 0.000 0.464 84 T N 0.774 115.377 114.554 0.082 0.000 2.985 84 T HA 0.021 4.370 4.350 -0.002 0.000 0.266 84 T C 0.748 175.496 174.700 0.079 0.000 1.076 84 T CA 0.559 62.698 62.100 0.064 0.000 1.135 84 T CB 0.100 69.013 68.868 0.074 0.000 0.890 84 T HN 0.557 nan 8.240 nan 0.000 0.480 85 T N 1.904 116.529 114.554 0.119 0.000 2.912 85 T HA 0.654 5.003 4.350 -0.002 0.000 0.299 85 T C -0.991 173.786 174.700 0.128 0.000 1.052 85 T CA -0.667 61.516 62.100 0.138 0.000 0.996 85 T CB 2.192 71.203 68.868 0.239 0.000 1.070 85 T HN 0.438 nan 8.240 nan 0.000 0.465 86 V N 0.435 120.409 119.914 0.101 0.000 2.876 86 V HA 0.782 4.901 4.120 -0.002 0.000 0.312 86 V C -1.133 174.995 176.094 0.058 0.000 1.085 86 V CA -1.125 61.220 62.300 0.075 0.000 0.945 86 V CB 1.902 33.762 31.823 0.063 0.000 1.017 86 V HN 0.888 nan 8.190 nan 0.000 0.428 87 I N 2.888 123.449 120.570 -0.016 0.000 2.411 87 I HA 0.363 4.532 4.170 -0.002 0.000 0.284 87 I C -0.462 175.571 176.117 -0.141 0.000 1.012 87 I CA -0.268 60.959 61.300 -0.121 0.000 1.119 87 I CB 1.620 39.419 38.000 -0.335 0.000 1.261 87 I HN 0.810 nan 8.210 nan 0.000 0.448 88 D N 6.354 126.721 120.400 -0.054 0.000 2.371 88 D HA 0.114 4.753 4.640 -0.002 0.000 0.256 88 D C 0.266 176.469 176.300 -0.162 0.000 1.193 88 D CA -0.073 53.911 54.000 -0.025 0.000 0.881 88 D CB 1.666 42.647 40.800 0.301 0.000 1.143 88 D HN 0.664 nan 8.370 nan 0.000 0.473 89 A N 3.365 125.979 122.820 -0.344 0.000 3.077 89 A HA 0.447 4.766 4.320 -0.002 0.000 0.255 89 A C 1.294 178.838 177.584 -0.066 0.000 1.728 89 A CA 0.200 52.026 52.037 -0.353 0.000 1.383 89 A CB -0.811 17.722 19.000 -0.778 0.000 1.097 89 A HN 0.859 nan 8.150 nan 0.000 0.634 90 G N 0.411 109.208 108.800 -0.004 0.000 2.176 90 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.252 90 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.252 90 G C 0.822 175.818 174.900 0.159 0.000 1.024 90 G CA 0.737 45.880 45.100 0.071 0.000 0.755 90 G HN 0.614 nan 8.290 nan 0.000 0.507 91 T N 0.178 114.863 114.554 0.219 0.000 2.788 91 T HA 0.075 4.424 4.350 -0.002 0.000 0.268 91 T C 1.687 176.502 174.700 0.192 0.000 1.044 91 T CA 2.116 64.365 62.100 0.248 0.000 1.139 91 T CB -0.106 68.892 68.868 0.216 0.000 0.867 91 T HN 1.306 nan 8.240 nan 0.000 0.454 92 T N -0.708 113.943 114.554 0.162 0.000 2.940 92 T HA 0.716 5.065 4.350 -0.002 0.000 0.288 92 T C 0.141 174.908 174.700 0.111 0.000 1.033 92 T CA -0.728 61.471 62.100 0.166 0.000 1.033 92 T CB 2.187 71.138 68.868 0.138 0.000 1.079 92 T HN 0.155 nan 8.240 nan 0.000 0.496 93 G N -0.445 108.398 108.800 0.071 0.000 2.820 93 G HA2 0.588 4.547 3.960 -0.002 0.000 0.291 93 G HA3 0.588 4.547 3.960 -0.002 0.000 0.291 93 G C 1.077 175.939 174.900 -0.065 0.000 1.323 93 G CA -0.539 44.555 45.100 -0.010 0.000 1.055 93 G HN 1.049 nan 8.290 nan 0.000 0.520 94 A N -0.758 121.996 122.820 -0.110 0.000 1.986 94 A HA -0.043 4.276 4.320 -0.002 0.000 0.220 94 A C 1.944 179.435 177.584 -0.156 0.000 1.171 94 A CA 1.874 53.845 52.037 -0.110 0.000 0.640 94 A CB -0.295 18.641 19.000 -0.107 0.000 0.811 94 A HN 0.526 nan 8.150 nan 0.000 0.451 95 E N 0.026 120.014 120.200 -0.353 0.000 2.358 95 E HA -0.106 4.243 4.350 -0.002 0.000 0.195 95 E C 0.492 176.944 176.600 -0.246 0.000 1.010 95 E CA 1.122 57.206 56.400 -0.528 0.000 0.856 95 E CB -0.136 28.673 29.700 -1.484 0.000 0.795 95 E HN 0.938 nan 8.360 nan 0.000 0.504 96 N N -0.409 118.253 118.700 -0.062 0.000 2.118 96 N HA 0.026 4.765 4.740 -0.002 0.000 0.226 96 N C 1.341 176.894 175.510 0.072 0.000 1.305 96 N CA -0.158 52.970 53.050 0.130 0.000 0.890 96 N CB -0.540 38.150 38.487 0.339 0.000 1.118 96 N HN 0.047 nan 8.380 nan 0.000 0.511 97 I N 0.528 121.117 120.570 0.031 0.000 2.454 97 I HA -0.219 3.950 4.170 -0.002 0.000 0.254 97 I C 1.822 177.891 176.117 -0.081 0.000 1.156 97 I CA 1.287 62.599 61.300 0.020 0.000 1.433 97 I CB -0.030 37.978 38.000 0.013 0.000 1.082 97 I HN 0.144 nan 8.210 nan 0.000 0.432 98 H N 0.257 119.310 119.070 -0.027 0.000 2.357 98 H HA -0.187 4.368 4.556 -0.002 0.000 0.301 98 H C 1.980 177.301 175.328 -0.012 0.000 1.082 98 H CA 1.771 57.802 56.048 -0.029 0.000 1.342 98 H CB -0.039 29.710 29.762 -0.022 0.000 1.389 98 H HN 0.499 nan 8.280 nan 0.000 0.511 99 E N 0.108 120.384 120.200 0.127 0.000 2.110 99 E HA -0.163 4.186 4.350 -0.002 0.000 0.193 99 E C 1.968 178.571 176.600 0.005 0.000 0.988 99 E CA 0.535 57.009 56.400 0.122 0.000 0.804 99 E CB -0.059 29.791 29.700 0.251 0.000 0.745 99 E HN 0.206 nan 8.360 nan 0.000 0.458 100 F N 0.600 120.231 119.950 -0.532 0.000 2.163 100 F HA -0.174 4.352 4.527 -0.002 0.000 0.297 100 F C 1.974 177.518 175.800 -0.427 0.000 1.094 100 F CA 1.235 58.743 58.000 -0.821 0.000 1.290 100 F CB -1.069 37.259 39.000 -1.121 0.000 1.017 100 F HN 0.088 nan 8.300 nan 0.000 0.483 101 Y N 1.666 121.521 120.300 -0.741 0.000 2.165 101 Y HA -0.251 4.299 4.550 -0.001 0.000 0.286 101 Y C 2.240 177.765 175.900 -0.626 0.000 1.155 101 Y CA 2.308 59.728 58.100 -1.133 0.000 1.164 101 Y CB -0.820 37.043 38.460 -0.995 0.000 0.978 101 Y HN 0.093 nan 8.280 nan 0.000 0.513 102 D N 0.158 120.334 120.400 -0.373 0.000 2.117 102 D HA -0.194 4.445 4.640 -0.002 0.000 0.197 102 D C 2.321 178.461 176.300 -0.267 0.000 0.987 102 D CA 1.697 55.513 54.000 -0.307 0.000 0.829 102 D CB -0.389 40.368 40.800 -0.072 0.000 0.961 102 D HN 0.419 nan 8.370 nan 0.000 0.460 103 L N 0.735 121.873 121.223 -0.142 0.000 2.109 103 L HA -0.068 4.271 4.340 -0.002 0.000 0.207 103 L C 2.537 179.343 176.870 -0.107 0.000 1.086 103 L CA 0.796 55.620 54.840 -0.026 0.000 0.760 103 L CB -0.376 41.791 42.059 0.179 0.000 0.910 103 L HN -0.047 nan 8.230 nan 0.000 0.437 104 A N -0.621 122.035 122.820 -0.273 0.000 2.076 104 A HA -0.207 4.111 4.320 -0.002 0.000 0.220 104 A C 2.178 179.565 177.584 -0.329 0.000 1.160 104 A CA 1.230 53.075 52.037 -0.320 0.000 0.653 104 A CB -0.254 18.372 19.000 -0.624 0.000 0.801 104 A HN 0.400 nan 8.150 nan 0.000 0.455 105 Q N -0.140 119.405 119.800 -0.426 0.000 2.187 105 Q HA -0.167 4.172 4.340 -0.002 0.000 0.199 105 Q C 2.052 177.938 176.000 -0.190 0.000 0.957 105 Q CA 1.619 57.210 55.803 -0.353 0.000 0.857 105 Q CB -0.499 27.978 28.738 -0.435 0.000 0.929 105 Q HN 1.033 nan 8.270 nan 0.000 0.453 106 Q N -0.347 119.369 119.800 -0.139 0.000 2.482 106 Q HA 0.309 4.648 4.340 -0.002 0.000 0.209 106 Q C 0.239 176.211 176.000 -0.047 0.000 0.961 106 Q CA 0.338 56.098 55.803 -0.071 0.000 0.945 106 Q CB 0.050 28.764 28.738 -0.040 0.000 1.012 106 Q HN 0.082 nan 8.270 nan 0.000 0.515 107 A N 1.291 124.075 122.820 -0.059 0.000 2.340 107 A HA 0.205 4.524 4.320 -0.002 0.000 0.268 107 A C 0.487 178.028 177.584 -0.072 0.000 1.100 107 A CA -0.534 51.476 52.037 -0.045 0.000 0.803 107 A CB 0.721 19.706 19.000 -0.025 0.000 1.043 107 A HN 0.268 nan 8.150 nan 0.000 0.488 108 K N 0.455 120.792 120.400 -0.106 0.000 2.103 108 K HA -0.027 4.292 4.320 -0.002 0.000 0.204 108 K C 0.416 176.928 176.600 -0.147 0.000 1.052 108 K CA 1.251 57.440 56.287 -0.163 0.000 0.945 108 K CB -0.231 32.013 32.500 -0.427 0.000 0.722 108 K HN 0.756 nan 8.250 nan 0.000 0.443 109 T N 2.272 116.745 114.554 -0.135 0.000 2.926 109 T HA 0.061 4.410 4.350 -0.002 0.000 0.307 109 T C 0.109 174.758 174.700 -0.084 0.000 1.059 109 T CA -0.428 61.620 62.100 -0.088 0.000 1.122 109 T CB 0.421 69.258 68.868 -0.051 0.000 0.972 109 T HN 0.093 nan 8.240 nan 0.000 0.545 110 N N 1.878 120.532 118.700 -0.077 0.000 2.470 110 N HA 0.289 5.028 4.740 -0.002 0.000 0.268 110 N C -0.855 174.502 175.510 -0.255 0.000 1.136 110 N CA -0.154 52.785 53.050 -0.185 0.000 0.961 110 N CB 1.080 39.500 38.487 -0.112 0.000 1.067 110 N HN 0.261 nan 8.380 nan 0.000 0.468 111 V N 3.914 123.597 119.914 -0.386 0.000 2.444 111 V HA 0.488 4.607 4.120 -0.002 0.000 0.294 111 V C -0.497 175.315 176.094 -0.469 0.000 1.022 111 V CA -0.606 61.536 62.300 -0.263 0.000 0.850 111 V CB 0.436 32.228 31.823 -0.051 0.000 0.992 111 V HN 0.412 nan 8.190 nan 0.000 0.426 112 F N 1.842 121.672 119.950 -0.200 0.000 2.613 112 F HA 0.961 5.487 4.527 -0.001 0.000 0.342 112 F C 0.783 176.100 175.800 -0.805 0.000 1.066 112 F CA -0.675 56.968 58.000 -0.595 0.000 1.002 112 F CB 2.247 41.031 39.000 -0.361 0.000 1.319 112 F HN 0.602 nan 8.300 nan 0.000 0.495 113 G N 0.535 108.828 108.800 -0.845 0.000 2.704 113 G HA2 0.617 4.576 3.960 -0.002 0.000 0.293 113 G HA3 0.617 4.576 3.960 -0.002 0.000 0.293 113 G C -2.466 172.224 174.900 -0.349 0.000 1.421 113 G CA -0.678 44.115 45.100 -0.513 0.000 0.870 113 G HN 0.316 nan 8.290 nan 0.000 0.492 114 L N 0.725 121.821 121.223 -0.210 0.000 2.309 114 L HA 0.612 4.951 4.340 -0.002 0.000 0.282 114 L C 0.421 177.260 176.870 -0.051 0.000 1.036 114 L CA -1.090 53.661 54.840 -0.149 0.000 0.806 114 L CB 1.575 43.532 42.059 -0.168 0.000 1.220 114 L HN 0.372 nan 8.230 nan 0.000 0.429 115 V N 4.951 124.847 119.914 -0.030 0.000 2.432 115 V HA 0.350 4.469 4.120 -0.002 0.000 0.275 115 V C 0.285 176.381 176.094 0.003 0.000 1.043 115 V CA -0.599 61.704 62.300 0.004 0.000 0.925 115 V CB 1.147 32.966 31.823 -0.007 0.000 0.985 115 V HN 0.852 nan 8.190 nan 0.000 0.466 116 N N 4.716 123.428 118.700 0.019 0.000 2.492 116 N HA 0.088 4.826 4.740 -0.002 0.000 0.262 116 N C 1.283 176.793 175.510 0.000 0.000 1.202 116 N CA 0.277 53.335 53.050 0.015 0.000 0.926 116 N CB 1.095 39.603 38.487 0.035 0.000 1.078 116 N HN 0.803 nan 8.380 nan 0.000 0.454 117 I N -0.419 120.149 120.570 -0.004 0.000 2.756 117 I HA -0.026 4.143 4.170 -0.002 0.000 0.262 117 I C 0.870 176.982 176.117 -0.009 0.000 1.225 117 I CA 0.511 61.806 61.300 -0.008 0.000 1.472 117 I CB -0.154 37.843 38.000 -0.006 0.000 1.094 117 I HN 0.163 nan 8.210 nan 0.000 0.454 118 S N 1.982 117.682 115.700 0.001 0.000 2.430 118 S HA 0.213 4.681 4.470 -0.002 0.000 0.289 118 S C 1.313 175.911 174.600 -0.003 0.000 1.143 118 S CA -0.789 57.420 58.200 0.015 0.000 1.067 118 S CB 0.769 63.992 63.200 0.040 0.000 0.964 118 S HN 0.528 nan 8.310 nan 0.000 0.485 119 K N 3.509 123.869 120.400 -0.066 0.000 2.242 119 K HA -0.172 4.147 4.320 -0.002 0.000 0.206 119 K C 0.506 176.892 176.600 -0.356 0.000 1.045 119 K CA 1.799 57.943 56.287 -0.238 0.000 0.930 119 K CB -0.250 32.034 32.500 -0.360 0.000 0.726 119 K HN 0.703 nan 8.250 nan 0.000 0.462 120 W N 1.578 122.900 121.300 0.037 0.000 3.239 120 W HA 0.316 4.975 4.660 -0.002 0.000 0.368 120 W C 1.019 177.570 176.519 0.053 0.000 1.154 120 W CA 0.165 57.539 57.345 0.048 0.000 1.860 120 W CB 0.583 30.063 29.460 0.033 0.000 1.094 120 W HN 0.525 nan 8.180 nan 0.000 0.643 121 G N 2.545 111.452 108.800 0.179 0.000 2.547 121 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.271 121 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.271 121 G C 0.442 175.409 174.900 0.112 0.000 1.209 121 G CA 0.389 45.573 45.100 0.140 0.000 0.959 121 G HN 0.571 nan 8.290 nan 0.000 0.563 122 I N 0.779 121.399 120.570 0.083 0.000 3.838 122 I HA 0.350 4.519 4.170 -0.002 0.000 0.320 122 I C 2.020 178.130 176.117 -0.011 0.000 1.429 122 I CA 0.398 61.693 61.300 -0.007 0.000 1.223 122 I CB -0.620 37.329 38.000 -0.085 0.000 1.147 122 I HN 0.734 nan 8.210 nan 0.000 0.410 123 V N 0.361 120.308 119.914 0.055 0.000 2.231 123 V HA -0.187 3.931 4.120 -0.002 0.000 0.250 123 V C 1.642 177.711 176.094 -0.041 0.000 1.058 123 V CA 1.518 63.830 62.300 0.019 0.000 1.022 123 V CB -1.488 30.354 31.823 0.032 0.000 0.640 123 V HN 0.564 nan 8.190 nan 0.000 0.445 124 A N -0.603 122.191 122.820 -0.043 0.000 2.336 124 A HA 0.581 4.900 4.320 -0.002 0.000 0.291 124 A C 1.239 178.766 177.584 -0.095 0.000 1.266 124 A CA 0.244 52.241 52.037 -0.066 0.000 0.891 124 A CB 0.777 19.744 19.000 -0.054 0.000 1.366 124 A HN 0.410 nan 8.150 nan 0.000 0.507 125 Q N -0.667 119.073 119.800 -0.100 0.000 2.376 125 Q HA 0.026 4.365 4.340 -0.002 0.000 0.206 125 Q C -0.512 175.423 176.000 -0.109 0.000 0.921 125 Q CA 1.443 57.167 55.803 -0.132 0.000 0.911 125 Q CB 0.273 28.941 28.738 -0.117 0.000 1.032 125 Q HN 0.765 nan 8.270 nan 0.000 0.510 126 D N -0.162 120.193 120.400 -0.074 0.000 2.863 126 D HA 0.047 4.685 4.640 -0.002 0.000 0.323 126 D C -0.321 175.956 176.300 -0.038 0.000 1.286 126 D CA -0.238 53.727 54.000 -0.057 0.000 0.921 126 D CB 0.192 40.966 40.800 -0.043 0.000 1.024 126 D HN 0.283 nan 8.370 nan 0.000 0.505 127 E N -0.237 119.940 120.200 -0.039 0.000 2.515 127 E HA -0.014 4.335 4.350 -0.002 0.000 0.201 127 E C 1.138 177.739 176.600 0.002 0.000 1.071 127 E CA 0.478 56.877 56.400 -0.002 0.000 0.880 127 E CB -0.098 29.610 29.700 0.014 0.000 0.828 127 E HN 0.429 nan 8.360 nan 0.000 0.540 128 L N -0.313 120.900 121.223 -0.017 0.000 2.808 128 L HA 0.415 4.754 4.340 -0.002 0.000 0.246 128 L C 1.775 178.640 176.870 -0.009 0.000 1.153 128 L CA 0.226 55.059 54.840 -0.012 0.000 0.956 128 L CB 0.271 42.315 42.059 -0.024 0.000 1.270 128 L HN 0.239 nan 8.230 nan 0.000 0.528 129 A N -0.716 122.098 122.820 -0.010 0.000 2.014 129 A HA -0.112 4.207 4.320 -0.002 0.000 0.218 129 A C 0.829 178.412 177.584 -0.000 0.000 1.163 129 A CA 0.961 52.992 52.037 -0.009 0.000 0.652 129 A CB -0.093 18.899 19.000 -0.014 0.000 0.808 129 A HN 0.283 nan 8.150 nan 0.000 0.449 130 D N -0.301 120.104 120.400 0.008 0.000 2.460 130 D HA 0.361 5.000 4.640 -0.002 0.000 0.232 130 D C 0.514 176.828 176.300 0.023 0.000 1.079 130 D CA -0.536 53.474 54.000 0.017 0.000 0.864 130 D CB 0.878 41.693 40.800 0.025 0.000 1.048 130 D HN -0.045 nan 8.370 nan 0.000 0.523 131 L N 3.129 124.362 121.223 0.016 0.000 2.265 131 L HA -0.137 4.202 4.340 -0.002 0.000 0.215 131 L C 2.404 179.287 176.870 0.022 0.000 1.117 131 L CA 1.415 56.264 54.840 0.016 0.000 0.782 131 L CB -0.697 41.368 42.059 0.010 0.000 0.914 131 L HN 0.514 nan 8.230 nan 0.000 0.441 132 S N -1.558 114.159 115.700 0.028 0.000 2.442 132 S HA -0.203 4.265 4.470 -0.002 0.000 0.236 132 S C 1.870 176.497 174.600 0.045 0.000 1.007 132 S CA 0.799 59.019 58.200 0.034 0.000 0.965 132 S CB -0.423 62.800 63.200 0.039 0.000 0.773 132 S HN 0.464 nan 8.310 nan 0.000 0.504 133 K N 0.755 121.191 120.400 0.059 0.000 2.365 133 K HA 0.127 4.445 4.320 -0.002 0.000 0.199 133 K C -0.119 176.501 176.600 0.034 0.000 1.045 133 K CA 0.478 56.813 56.287 0.079 0.000 0.962 133 K CB -0.052 32.520 32.500 0.119 0.000 0.759 133 K HN 0.249 nan 8.250 nan 0.000 0.469 134 V N 3.141 123.068 119.914 0.021 0.000 2.221 134 V HA 0.065 4.184 4.120 -0.002 0.000 0.258 134 V C -0.381 175.712 176.094 -0.001 0.000 1.179 134 V CA -0.118 62.185 62.300 0.006 0.000 1.022 134 V CB 0.180 32.007 31.823 0.006 0.000 1.228 134 V HN 0.180 nan 8.190 nan 0.000 0.487 135 Q N 2.281 122.074 119.800 -0.012 0.000 2.368 135 Q HA 0.500 4.839 4.340 -0.002 0.000 0.256 135 Q C 1.286 177.276 176.000 -0.018 0.000 0.980 135 Q CA -0.075 55.719 55.803 -0.014 0.000 0.887 135 Q CB 1.898 30.624 28.738 -0.020 0.000 1.221 135 Q HN 0.714 nan 8.270 nan 0.000 0.458 136 A N 2.466 125.279 122.820 -0.012 0.000 1.917 136 A HA -0.221 4.097 4.320 -0.002 0.000 0.219 136 A C 2.030 179.605 177.584 -0.015 0.000 1.182 136 A CA 2.143 54.173 52.037 -0.011 0.000 0.633 136 A CB -0.281 18.715 19.000 -0.007 0.000 0.819 136 A HN 0.695 nan 8.150 nan 0.000 0.448 137 S N -0.055 115.636 115.700 -0.015 0.000 2.359 137 S HA -0.143 4.326 4.470 -0.002 0.000 0.224 137 S C 1.805 176.392 174.600 -0.022 0.000 1.035 137 S CA 1.600 59.791 58.200 -0.016 0.000 1.018 137 S CB -0.514 62.678 63.200 -0.013 0.000 0.876 137 S HN 0.532 nan 8.310 nan 0.000 0.448 138 L N 0.998 122.202 121.223 -0.032 0.000 2.083 138 L HA -0.080 4.259 4.340 -0.002 0.000 0.209 138 L C 2.300 179.144 176.870 -0.042 0.000 1.083 138 L CA 0.827 55.640 54.840 -0.046 0.000 0.752 138 L CB -0.769 41.245 42.059 -0.075 0.000 0.899 138 L HN 0.219 nan 8.230 nan 0.000 0.433 139 V N 0.236 120.129 119.914 -0.035 0.000 2.358 139 V HA -0.270 3.849 4.120 -0.002 0.000 0.246 139 V C 2.574 178.654 176.094 -0.023 0.000 1.047 139 V CA 1.942 64.224 62.300 -0.030 0.000 1.035 139 V CB -0.468 31.342 31.823 -0.022 0.000 0.658 139 V HN 0.410 nan 8.190 nan 0.000 0.452 140 K N 0.744 121.133 120.400 -0.018 0.000 2.063 140 K HA -0.218 4.101 4.320 -0.002 0.000 0.208 140 K C 2.094 178.686 176.600 -0.015 0.000 1.048 140 K CA 1.737 58.015 56.287 -0.014 0.000 0.928 140 K CB -0.238 32.255 32.500 -0.012 0.000 0.713 140 K HN 0.385 nan 8.250 nan 0.000 0.442 141 K N -0.159 120.232 120.400 -0.015 0.000 2.097 141 K HA -0.100 4.219 4.320 -0.002 0.000 0.206 141 K C 2.194 178.792 176.600 -0.004 0.000 1.049 141 K CA 1.225 57.508 56.287 -0.008 0.000 0.933 141 K CB -0.210 32.286 32.500 -0.007 0.000 0.717 141 K HN 0.274 nan 8.250 nan 0.000 0.442 142 A N 1.587 124.396 122.820 -0.017 0.000 1.898 142 A HA -0.130 4.189 4.320 -0.002 0.000 0.216 142 A C 2.116 179.668 177.584 -0.052 0.000 1.181 142 A CA 1.208 53.220 52.037 -0.041 0.000 0.620 142 A CB -0.567 18.400 19.000 -0.054 0.000 0.819 142 A HN 0.167 nan 8.150 nan 0.000 0.442 143 I N -0.460 120.090 120.570 -0.034 0.000 2.286 143 I HA -0.309 3.859 4.170 -0.002 0.000 0.248 143 I C 2.585 178.687 176.117 -0.026 0.000 1.115 143 I CA 1.512 62.795 61.300 -0.028 0.000 1.392 143 I CB -0.369 37.621 38.000 -0.017 0.000 1.065 143 I HN 0.472 nan 8.210 nan 0.000 0.418 144 Q N 0.110 119.897 119.800 -0.021 0.000 2.331 144 Q HA -0.110 4.228 4.340 -0.002 0.000 0.203 144 Q C 1.798 177.786 176.000 -0.019 0.000 0.944 144 Q CA 0.757 56.551 55.803 -0.016 0.000 0.892 144 Q CB 0.121 28.853 28.738 -0.010 0.000 0.983 144 Q HN 0.535 nan 8.270 nan 0.000 0.482 145 E N 0.241 120.428 120.200 -0.022 0.000 2.170 145 E HA 0.030 4.378 4.350 -0.002 0.000 0.191 145 E C 0.108 176.652 176.600 -0.093 0.000 0.981 145 E CA 0.550 56.941 56.400 -0.014 0.000 0.830 145 E CB 0.502 30.246 29.700 0.073 0.000 0.775 145 E HN 0.167 nan 8.360 nan 0.000 0.470 146 L N 0.784 121.919 121.223 -0.147 0.000 2.594 146 L HA 0.252 4.591 4.340 -0.002 0.000 0.245 146 L C -2.233 174.591 176.870 -0.076 0.000 1.460 146 L CA -1.194 53.510 54.840 -0.227 0.000 0.865 146 L CB 1.430 43.229 42.059 -0.433 0.000 1.131 146 L HN -0.101 nan 8.230 nan 0.000 0.506 147 P HA -0.102 nan 4.420 nan 0.000 0.220 147 P C 0.630 177.968 177.300 0.063 0.000 1.148 147 P CA 1.062 64.168 63.100 0.010 0.000 0.803 147 P CB 0.266 31.970 31.700 0.007 0.000 0.782 148 D N -2.460 117.999 120.400 0.099 0.000 2.349 148 D HA 0.013 4.652 4.640 -0.002 0.000 0.224 148 D C 0.942 177.478 176.300 0.394 0.000 1.029 148 D CA 0.523 54.652 54.000 0.215 0.000 0.879 148 D CB -0.021 40.900 40.800 0.202 0.000 0.906 148 D HN 0.219 nan 8.370 nan 0.000 0.528 149 F N 0.303 120.315 119.950 0.103 0.000 2.496 149 F HA 0.118 4.643 4.527 -0.002 0.000 0.274 149 F C 0.339 176.212 175.800 0.122 0.000 0.924 149 F CA -0.002 58.087 58.000 0.149 0.000 1.147 149 F CB 0.451 39.440 39.000 -0.019 0.000 0.969 149 F HN -0.386 nan 8.300 nan 0.000 0.749 150 V N 3.761 123.669 119.914 -0.011 0.000 2.405 150 V HA 0.142 4.261 4.120 -0.002 0.000 0.264 150 V C 0.970 177.012 176.094 -0.087 0.000 1.048 150 V CA 0.341 62.574 62.300 -0.113 0.000 0.966 150 V CB 0.580 32.378 31.823 -0.042 0.000 1.015 150 V HN 0.256 nan 8.190 nan 0.000 0.477 151 V N 2.038 121.869 119.914 -0.138 0.000 3.427 151 V HA 0.830 4.949 4.120 -0.002 0.000 0.305 151 V C 0.661 176.777 176.094 0.038 0.000 1.412 151 V CA 0.678 62.932 62.300 -0.076 0.000 1.086 151 V CB -0.172 31.543 31.823 -0.180 0.000 0.964 151 V HN 0.972 nan 8.190 nan 0.000 0.439 152 G N 0.592 109.391 108.800 -0.001 0.000 2.325 152 G HA2 0.522 4.481 3.960 -0.002 0.000 0.295 152 G HA3 0.522 4.481 3.960 -0.002 0.000 0.295 152 G C -1.412 173.495 174.900 0.011 0.000 1.274 152 G CA -0.212 44.929 45.100 0.068 0.000 0.857 152 G HN 0.782 nan 8.290 nan 0.000 0.499 159 R N 0.944 121.452 120.500 0.014 0.000 2.227 159 R HA -0.239 4.099 4.340 -0.002 0.000 0.246 159 R C 2.072 178.364 176.300 -0.012 0.000 1.119 159 R CA 3.229 59.322 56.100 -0.012 0.000 0.930 159 R CB -1.515 28.773 30.300 -0.021 0.000 0.912 159 R HN 1.002 nan 8.270 nan 0.000 0.435 160 T N -2.320 112.229 114.554 -0.007 0.000 3.098 160 T HA 0.023 4.372 4.350 -0.002 0.000 0.266 160 T C 1.625 176.302 174.700 -0.038 0.000 1.145 160 T CA 1.034 63.119 62.100 -0.024 0.000 1.092 160 T CB 0.224 69.075 68.868 -0.029 0.000 0.908 160 T HN 0.159 nan 8.240 nan 0.000 0.526 161 V N 1.521 121.413 119.914 -0.036 0.000 2.672 161 V HA 0.233 4.352 4.120 -0.002 0.000 0.242 161 V C 2.375 178.442 176.094 -0.044 0.000 1.059 161 V CA 0.772 63.035 62.300 -0.061 0.000 1.081 161 V CB -0.189 31.572 31.823 -0.103 0.000 0.752 161 V HN 0.695 nan 8.190 nan 0.000 0.472 162 I N -1.199 119.353 120.570 -0.030 0.000 3.684 162 I HA 0.485 4.654 4.170 -0.002 0.000 0.304 162 I C 1.531 177.636 176.117 -0.020 0.000 1.278 162 I CA 0.802 62.089 61.300 -0.023 0.000 1.272 162 I CB -0.764 37.225 38.000 -0.017 0.000 1.029 162 I HN 0.298 nan 8.210 nan 0.000 0.458 163 G N 2.891 111.678 108.800 -0.022 0.000 2.665 163 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.326 163 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.326 163 G C 0.425 175.315 174.900 -0.017 0.000 1.231 163 G CA 0.868 45.957 45.100 -0.019 0.000 0.992 163 G HN 0.532 nan 8.290 nan 0.000 0.549 164 D N 1.338 121.731 120.400 -0.013 0.000 2.395 164 D HA 0.101 4.740 4.640 -0.002 0.000 0.213 164 D C 1.612 177.907 176.300 -0.009 0.000 1.110 164 D CA 0.098 54.092 54.000 -0.011 0.000 0.835 164 D CB -0.152 40.644 40.800 -0.007 0.000 0.965 164 D HN 0.535 nan 8.370 nan 0.000 0.505 165 N N 0.802 119.497 118.700 -0.009 0.000 2.521 165 N HA 0.059 4.798 4.740 -0.002 0.000 0.188 165 N C 1.502 177.008 175.510 -0.007 0.000 1.146 165 N CA 0.138 53.185 53.050 -0.006 0.000 0.893 165 N CB 0.489 38.974 38.487 -0.005 0.000 0.975 165 N HN 0.098 nan 8.380 nan 0.000 0.451 166 G N 2.161 110.955 108.800 -0.011 0.000 2.672 166 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.324 166 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.324 166 G C 0.704 175.599 174.900 -0.008 0.000 1.286 166 G CA 0.564 45.657 45.100 -0.012 0.000 1.004 166 G HN 0.274 nan 8.290 nan 0.000 0.548 167 I N 1.435 122.003 120.570 -0.003 0.000 3.419 167 I HA 0.158 4.327 4.170 -0.002 0.000 0.286 167 I C 2.757 178.876 176.117 0.002 0.000 1.268 167 I CA 2.019 63.320 61.300 0.001 0.000 1.414 167 I CB -0.274 37.728 38.000 0.004 0.000 1.074 167 I HN 0.528 nan 8.210 nan 0.000 0.457 168 T N 2.012 116.567 114.554 0.001 0.000 2.685 168 T HA -0.144 4.205 4.350 -0.002 0.000 0.268 168 T C -0.448 174.254 174.700 0.002 0.000 1.034 168 T CA 2.052 64.153 62.100 0.002 0.000 1.149 168 T CB -1.317 67.552 68.868 0.001 0.000 0.860 168 T HN 0.300 nan 8.240 nan 0.000 0.449 169 P HA -0.007 nan 4.420 nan 0.000 0.217 169 P C 1.579 178.881 177.300 0.002 0.000 1.150 169 P CA 0.484 63.584 63.100 0.000 0.000 0.832 169 P CB -0.118 31.580 31.700 -0.004 0.000 0.787 170 L N 0.164 121.390 121.223 0.005 0.000 2.056 170 L HA -0.114 4.225 4.340 -0.002 0.000 0.207 170 L C 2.010 178.884 176.870 0.007 0.000 1.078 170 L CA 1.884 56.729 54.840 0.008 0.000 0.749 170 L CB -1.237 40.830 42.059 0.012 0.000 0.901 170 L HN -0.069 nan 8.230 nan 0.000 0.433 171 E N -0.491 119.712 120.200 0.006 0.000 2.085 171 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 171 E C 2.249 178.852 176.600 0.004 0.000 0.994 171 E CA 1.562 57.966 56.400 0.005 0.000 0.801 171 E CB -0.289 29.413 29.700 0.004 0.000 0.743 171 E HN 0.511 nan 8.360 nan 0.000 0.453 172 L N 0.495 121.720 121.223 0.003 0.000 2.083 172 L HA -0.176 4.163 4.340 -0.002 0.000 0.209 172 L C 2.602 179.474 176.870 0.002 0.000 1.083 172 L CA 0.895 55.737 54.840 0.002 0.000 0.752 172 L CB -0.497 41.563 42.059 0.001 0.000 0.899 172 L HN 0.145 nan 8.230 nan 0.000 0.433 173 A N -0.135 122.687 122.820 0.003 0.000 1.902 173 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 173 A C 2.315 179.902 177.584 0.005 0.000 1.181 173 A CA 1.378 53.417 52.037 0.004 0.000 0.623 173 A CB -0.265 18.739 19.000 0.006 0.000 0.818 173 A HN 0.182 nan 8.150 nan 0.000 0.443 174 K N -0.253 120.151 120.400 0.006 0.000 2.097 174 K HA -0.174 4.145 4.320 -0.002 0.000 0.206 174 K C 2.177 178.779 176.600 0.004 0.000 1.049 174 K CA 1.574 57.865 56.287 0.006 0.000 0.933 174 K CB -0.437 32.067 32.500 0.007 0.000 0.717 174 K HN 0.794 nan 8.250 nan 0.000 0.442 175 Q N 0.772 120.574 119.800 0.003 0.000 2.046 175 Q HA -0.083 4.256 4.340 -0.002 0.000 0.200 175 Q C 2.129 178.129 176.000 0.001 0.000 0.975 175 Q CA 1.119 56.923 55.803 0.002 0.000 0.836 175 Q CB -0.047 28.692 28.738 0.001 0.000 0.896 175 Q HN 0.246 nan 8.270 nan 0.000 0.428 176 I N 0.855 121.426 120.570 0.001 0.000 2.335 176 I HA -0.309 3.860 4.170 -0.002 0.000 0.251 176 I C 2.693 178.811 176.117 0.001 0.000 1.129 176 I CA 1.411 62.710 61.300 -0.001 0.000 1.402 176 I CB -0.348 37.651 38.000 -0.002 0.000 1.069 176 I HN 0.436 nan 8.210 nan 0.000 0.424 177 Q N 0.757 120.560 119.800 0.004 0.000 2.079 177 Q HA -0.297 4.042 4.340 -0.002 0.000 0.200 177 Q C 2.242 178.244 176.000 0.004 0.000 0.974 177 Q CA 1.700 57.507 55.803 0.006 0.000 0.840 177 Q CB -0.017 28.726 28.738 0.008 0.000 0.898 177 Q HN 0.366 nan 8.270 nan 0.000 0.430 178 Q N 0.862 120.664 119.800 0.002 0.000 2.124 178 Q HA -0.179 4.160 4.340 -0.002 0.000 0.202 178 Q C 1.214 177.213 176.000 -0.002 0.000 0.977 178 Q CA 2.002 57.805 55.803 0.000 0.000 0.850 178 Q CB 0.071 28.809 28.738 0.000 0.000 0.901 178 Q HN 0.469 nan 8.270 nan 0.000 0.429 179 E N -0.672 119.527 120.200 -0.002 0.000 2.482 179 E HA -0.042 4.307 4.350 -0.002 0.000 0.196 179 E C -0.219 176.379 176.600 -0.004 0.000 1.047 179 E CA 0.411 56.809 56.400 -0.003 0.000 0.869 179 E CB 0.170 29.868 29.700 -0.004 0.000 0.836 179 E HN 0.360 nan 8.360 nan 0.000 0.520 180 N N 1.158 119.856 118.700 -0.003 0.000 2.644 180 N HA 0.045 4.784 4.740 -0.002 0.000 0.313 180 N C -1.185 174.323 175.510 -0.003 0.000 1.863 180 N CA -0.127 52.921 53.050 -0.003 0.000 0.918 180 N CB 0.907 39.393 38.487 -0.002 0.000 1.320 180 N HN -0.131 nan 8.380 nan 0.000 0.490 181 Q N 0.346 120.142 119.800 -0.007 0.000 2.457 181 Q HA -0.233 4.106 4.340 -0.002 0.000 0.283 181 Q C -0.635 175.361 176.000 -0.008 0.000 1.234 181 Q CA 0.663 56.459 55.803 -0.013 0.000 0.877 181 Q CB -1.689 27.037 28.738 -0.021 0.000 1.250 181 Q HN 0.537 nan 8.270 nan 0.000 0.481 182 E N -1.895 118.305 120.200 0.001 0.000 2.476 182 E HA -0.233 4.115 4.350 -0.002 0.000 0.251 182 E C 0.432 177.050 176.600 0.031 0.000 1.130 182 E CA 0.930 57.336 56.400 0.011 0.000 0.736 182 E CB -1.823 27.881 29.700 0.006 0.000 1.298 182 E HN 0.746 nan 8.360 nan 0.000 0.400 183 I N 0.735 121.324 120.570 0.032 0.000 2.872 183 I HA -0.013 4.156 4.170 -0.002 0.000 0.291 183 I C -1.742 174.410 176.117 0.059 0.000 1.216 183 I CA -1.135 60.199 61.300 0.056 0.000 1.424 183 I CB 0.631 38.654 38.000 0.039 0.000 1.351 183 I HN -0.161 nan 8.210 nan 0.000 0.592 184 P HA 0.044 nan 4.420 nan 0.000 0.266 184 P C -1.013 176.325 177.300 0.063 0.000 1.195 184 P CA 0.015 63.122 63.100 0.012 0.000 0.768 184 P CB 0.673 32.339 31.700 -0.056 0.000 0.838 188 H N 5.615 124.686 119.070 0.001 0.000 2.502 188 H HA 0.861 5.416 4.556 -0.002 0.000 0.327 188 H C -0.361 175.037 175.328 0.116 0.000 1.099 188 H CA -0.563 55.528 56.048 0.072 0.000 1.323 188 H CB 1.563 31.420 29.762 0.158 0.000 1.450 188 H HN 0.764 nan 8.280 nan 0.000 0.502 189 I N 2.122 122.703 120.570 0.019 0.000 2.785 189 I HA 0.842 5.011 4.170 -0.002 0.000 0.302 189 I C -0.239 175.762 176.117 -0.193 0.000 1.069 189 I CA -0.761 60.535 61.300 -0.007 0.000 1.045 189 I CB 2.356 40.354 38.000 -0.003 0.000 1.236 189 I HN 0.798 nan 8.210 nan 0.000 0.429 190 G N 2.535 111.283 108.800 -0.088 0.000 3.008 190 G HA2 0.373 4.332 3.960 -0.002 0.000 0.148 190 G HA3 0.373 4.332 3.960 -0.002 0.000 0.148 190 G C -1.066 173.813 174.900 -0.035 0.000 1.184 190 G CA -0.450 44.586 45.100 -0.107 0.000 1.087 190 G HN 0.648 nan 8.290 nan 0.000 0.602 191 S N 0.230 115.917 115.700 -0.022 0.000 2.593 191 S HA 0.586 5.054 4.470 -0.002 0.000 0.269 191 S C 0.584 175.165 174.600 -0.032 0.000 1.334 191 S CA 0.212 58.401 58.200 -0.019 0.000 1.015 191 S CB 1.247 64.435 63.200 -0.019 0.000 0.912 191 S HN 1.075 nan 8.310 nan 0.000 0.541 192 A N 3.069 125.851 122.820 -0.063 0.000 2.302 192 A HA 0.654 4.973 4.320 -0.002 0.000 0.285 192 A C -2.151 175.345 177.584 -0.147 0.000 1.105 192 A CA -1.515 50.424 52.037 -0.164 0.000 0.816 192 A CB -0.229 18.581 19.000 -0.318 0.000 1.067 192 A HN 0.580 nan 8.150 nan 0.000 0.489 193 P HA 0.443 nan 4.420 nan 0.000 0.278 193 P C -2.879 174.357 177.300 -0.107 0.000 1.258 193 P CA -1.572 61.397 63.100 -0.219 0.000 0.811 193 P CB 0.528 32.127 31.700 -0.168 0.000 1.063 194 P HA 0.220 nan 4.420 nan 0.000 0.279 194 P C -0.161 177.041 177.300 -0.163 0.000 1.276 194 P CA -0.215 62.812 63.100 -0.122 0.000 0.801 194 P CB 0.242 31.922 31.700 -0.034 0.000 1.127 195 H N 0.462 119.524 119.070 -0.014 0.000 2.652 195 H HA 0.027 4.582 4.556 -0.002 0.000 0.349 195 H C 1.159 176.465 175.328 -0.036 0.000 1.099 195 H CA -0.263 55.771 56.048 -0.023 0.000 1.417 195 H CB 0.757 30.486 29.762 -0.055 0.000 1.457 195 H HN 0.334 nan 8.280 nan 0.000 0.568 196 L N 3.043 124.346 121.223 0.133 0.000 2.013 196 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 196 L C 2.111 178.978 176.870 -0.006 0.000 1.073 196 L CA 2.056 56.975 54.840 0.132 0.000 0.753 196 L CB -0.612 41.639 42.059 0.320 0.000 0.890 196 L HN 0.771 nan 8.230 nan 0.000 0.432 197 D N -1.104 119.046 120.400 -0.417 0.000 2.149 197 D HA -0.309 4.330 4.640 -0.002 0.000 0.198 197 D C 1.879 178.010 176.300 -0.281 0.000 0.990 197 D CA 1.637 55.152 54.000 -0.808 0.000 0.839 197 D CB -0.475 39.520 40.800 -1.341 0.000 0.948 197 D HN 0.673 nan 8.370 nan 0.000 0.460 198 E N 0.285 120.397 120.200 -0.145 0.000 2.107 198 E HA -0.079 4.270 4.350 -0.002 0.000 0.191 198 E C 2.431 179.018 176.600 -0.021 0.000 0.982 198 E CA 0.372 56.738 56.400 -0.056 0.000 0.809 198 E CB 0.029 29.727 29.700 -0.004 0.000 0.756 198 E HN 0.339 nan 8.360 nan 0.000 0.459 199 I N 0.637 121.205 120.570 -0.004 0.000 2.193 199 I HA -0.257 3.912 4.170 -0.002 0.000 0.240 199 I C 2.305 178.441 176.117 0.033 0.000 1.084 199 I CA 0.769 62.081 61.300 0.020 0.000 1.365 199 I CB -0.167 37.854 38.000 0.034 0.000 1.064 199 I HN 0.172 nan 8.210 nan 0.000 0.410 200 L N 0.660 121.916 121.223 0.054 0.000 2.131 200 L HA -0.185 4.153 4.340 -0.002 0.000 0.210 200 L C 2.808 179.727 176.870 0.081 0.000 1.092 200 L CA 1.131 56.031 54.840 0.100 0.000 0.759 200 L CB -0.698 41.487 42.059 0.211 0.000 0.903 200 L HN 0.248 nan 8.230 nan 0.000 0.435 201 A N -0.324 122.521 122.820 0.040 0.000 1.972 201 A HA -0.048 4.271 4.320 -0.002 0.000 0.219 201 A C 1.197 178.799 177.584 0.031 0.000 1.169 201 A CA 0.988 53.044 52.037 0.032 0.000 0.635 201 A CB -0.333 18.665 19.000 -0.004 0.000 0.810 201 A HN 0.179 nan 8.150 nan 0.000 0.446 205 K N 0.416 120.818 120.400 0.004 0.000 2.511 205 K HA 0.103 4.422 4.320 -0.002 0.000 0.280 205 K C 0.785 177.367 176.600 -0.031 0.000 1.008 205 K CA 1.804 58.082 56.287 -0.015 0.000 1.050 205 K CB -0.080 32.407 32.500 -0.021 0.000 0.889 205 K HN 0.741 nan 8.250 nan 0.000 0.484 206 G N 3.292 112.058 108.800 -0.056 0.000 2.279 206 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.223 206 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.223 206 G C -0.407 174.421 174.900 -0.119 0.000 1.015 206 G CA 0.086 45.129 45.100 -0.094 0.000 0.621 206 G HN 0.717 nan 8.290 nan 0.000 0.506 207 D N 1.017 121.377 120.400 -0.066 0.000 2.389 207 D HA 0.449 5.087 4.640 -0.002 0.000 0.247 207 D C 0.516 176.776 176.300 -0.067 0.000 1.128 207 D CA 0.139 54.103 54.000 -0.059 0.000 0.884 207 D CB 1.857 42.646 40.800 -0.017 0.000 1.194 207 D HN 0.204 nan 8.370 nan 0.000 0.441 208 V N 3.408 123.270 119.914 -0.086 0.000 2.383 208 V HA 0.134 4.253 4.120 -0.002 0.000 0.275 208 V C 0.195 176.262 176.094 -0.045 0.000 1.036 208 V CA -0.806 61.450 62.300 -0.073 0.000 0.889 208 V CB 1.279 33.047 31.823 -0.093 0.000 0.985 208 V HN 0.304 nan 8.190 nan 0.000 0.459 209 L N 5.598 126.777 121.223 -0.073 0.000 2.259 209 L HA 0.505 4.844 4.340 -0.002 0.000 0.288 209 L C 0.353 177.115 176.870 -0.179 0.000 1.051 209 L CA 0.841 55.588 54.840 -0.156 0.000 0.824 209 L CB 1.219 43.081 42.059 -0.330 0.000 1.206 209 L HN 0.744 nan 8.230 nan 0.000 0.429 210 T N 2.930 117.399 114.554 -0.141 0.000 2.902 210 T HA 0.330 4.679 4.350 -0.002 0.000 0.280 210 T C 0.166 174.735 174.700 -0.218 0.000 0.992 210 T CA -0.001 61.992 62.100 -0.179 0.000 1.015 210 T CB 0.225 69.017 68.868 -0.128 0.000 1.044 210 T HN 0.765 nan 8.240 nan 0.000 0.520 211 H N -0.100 118.934 119.070 -0.060 0.000 2.936 211 H HA -0.183 4.372 4.556 -0.002 0.000 0.276 211 H C 1.851 177.084 175.328 -0.158 0.000 1.216 211 H CA 0.675 56.660 56.048 -0.105 0.000 1.132 211 H CB -2.530 27.149 29.762 -0.140 0.000 1.303 211 H HN 0.778 nan 8.280 nan 0.000 0.370 212 C N -1.313 117.879 119.300 -0.179 0.000 2.403 212 C HA -0.147 4.312 4.460 -0.002 0.000 0.277 212 C C 1.946 176.870 174.990 -0.111 0.000 1.248 212 C CA 0.806 59.610 59.018 -0.357 0.000 1.762 212 C CB -1.321 26.044 27.740 -0.625 0.000 2.014 212 C HN 0.309 nan 8.230 nan 0.000 0.486 213 F N 3.844 123.803 119.950 0.015 0.000 2.925 213 F HA 0.313 4.839 4.527 -0.002 0.000 0.302 213 F C 0.931 176.647 175.800 -0.139 0.000 1.189 213 F CA -1.866 56.107 58.000 -0.045 0.000 1.346 213 F CB -1.278 37.720 39.000 -0.003 0.000 0.954 213 F HN 0.493 nan 8.300 nan 0.000 0.506 214 N N -0.495 118.233 118.700 0.048 0.000 2.482 214 N HA 0.112 4.851 4.740 -0.002 0.000 0.260 214 N C 1.145 176.617 175.510 -0.063 0.000 1.236 214 N CA 0.362 53.380 53.050 -0.054 0.000 0.938 214 N CB 1.649 40.088 38.487 -0.080 0.000 1.128 214 N HN 0.263 nan 8.380 nan 0.000 0.448 215 G N 0.686 109.429 108.800 -0.094 0.000 3.284 215 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.236 215 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.236 215 G C 0.398 175.275 174.900 -0.038 0.000 1.158 215 G CA -0.355 44.705 45.100 -0.067 0.000 0.774 215 G HN 0.539 nan 8.290 nan 0.000 0.545 216 K N 0.230 120.607 120.400 -0.038 0.000 2.230 216 K HA 0.162 4.481 4.320 -0.002 0.000 0.253 216 K C 0.874 177.476 176.600 0.004 0.000 1.008 216 K CA -0.113 56.161 56.287 -0.021 0.000 0.910 216 K CB 1.085 33.567 32.500 -0.031 0.000 0.994 216 K HN 0.100 nan 8.250 nan 0.000 0.495 217 E N 0.768 120.978 120.200 0.016 0.000 2.153 217 E HA -0.217 4.132 4.350 -0.002 0.000 0.194 217 E C 1.102 177.742 176.600 0.068 0.000 0.988 217 E CA 1.084 57.507 56.400 0.039 0.000 0.811 217 E CB -0.056 29.669 29.700 0.042 0.000 0.746 217 E HN 0.397 nan 8.360 nan 0.000 0.466 218 N N 0.538 119.277 118.700 0.065 0.000 2.370 218 N HA 0.004 4.743 4.740 -0.002 0.000 0.198 218 N C 0.106 175.673 175.510 0.095 0.000 1.156 218 N CA 0.148 53.259 53.050 0.102 0.000 0.839 218 N CB 0.279 38.808 38.487 0.069 0.000 0.989 218 N HN 0.095 nan 8.380 nan 0.000 0.468 219 G N -0.068 108.768 108.800 0.060 0.000 2.535 219 G HA2 0.244 4.203 3.960 -0.002 0.000 0.282 219 G HA3 0.244 4.203 3.960 -0.002 0.000 0.282 219 G C 1.106 176.034 174.900 0.047 0.000 1.350 219 G CA -0.380 44.744 45.100 0.040 0.000 1.039 219 G HN 0.338 nan 8.290 nan 0.000 0.509 220 I N -2.370 118.210 120.570 0.018 0.000 3.111 220 I HA 0.277 4.446 4.170 -0.002 0.000 0.272 220 I C 0.623 176.701 176.117 -0.065 0.000 1.268 220 I CA 0.080 61.362 61.300 -0.030 0.000 1.467 220 I CB -0.132 37.874 38.000 0.010 0.000 1.087 220 I HN 0.090 nan 8.210 nan 0.000 0.467 221 L N 2.320 123.524 121.223 -0.032 0.000 2.292 221 L HA 0.396 4.735 4.340 -0.002 0.000 0.284 221 L C -0.344 176.521 176.870 -0.008 0.000 1.065 221 L CA 0.004 54.822 54.840 -0.036 0.000 0.806 221 L CB 0.812 42.850 42.059 -0.034 0.000 1.175 221 L HN 0.053 nan 8.230 nan 0.000 0.431 222 D N 3.698 124.094 120.400 -0.008 0.000 2.365 222 D HA 0.082 4.721 4.640 -0.002 0.000 0.237 222 D C 0.605 176.921 176.300 0.027 0.000 1.190 222 D CA 0.079 54.088 54.000 0.015 0.000 0.867 222 D CB 1.075 41.883 40.800 0.012 0.000 1.050 222 D HN 0.699 nan 8.370 nan 0.000 0.491 223 Q N 2.268 122.088 119.800 0.033 0.000 2.291 223 Q HA -0.145 4.194 4.340 -0.002 0.000 0.206 223 Q C 1.770 177.785 176.000 0.026 0.000 0.976 223 Q CA 1.248 57.071 55.803 0.033 0.000 0.875 223 Q CB 0.176 28.929 28.738 0.024 0.000 0.927 223 Q HN 0.577 nan 8.270 nan 0.000 0.450 224 A N 0.814 123.649 122.820 0.026 0.000 1.929 224 A HA -0.121 4.198 4.320 -0.002 0.000 0.216 224 A C 2.195 179.791 177.584 0.020 0.000 1.176 224 A CA 1.676 53.725 52.037 0.021 0.000 0.628 224 A CB -0.392 18.621 19.000 0.023 0.000 0.816 224 A HN 0.453 nan 8.150 nan 0.000 0.444 225 T N -5.235 109.332 114.554 0.023 0.000 3.023 225 T HA 0.244 4.593 4.350 -0.002 0.000 0.253 225 T C 0.380 175.096 174.700 0.026 0.000 1.038 225 T CA 0.892 63.004 62.100 0.020 0.000 0.962 225 T CB 0.073 68.951 68.868 0.017 0.000 1.018 225 T HN 0.349 nan 8.240 nan 0.000 0.521 226 D N 0.645 121.067 120.400 0.037 0.000 2.870 226 D HA -0.135 4.504 4.640 -0.002 0.000 0.228 226 D C -0.460 175.856 176.300 0.028 0.000 1.147 226 D CA 0.915 54.952 54.000 0.061 0.000 0.757 226 D CB -1.143 39.707 40.800 0.083 0.000 1.091 226 D HN 0.638 nan 8.370 nan 0.000 0.429 227 K N -0.240 120.169 120.400 0.015 0.000 2.395 227 K HA 0.574 4.893 4.320 -0.002 0.000 0.247 227 K C 0.064 176.668 176.600 0.006 0.000 0.973 227 K CA -1.102 55.192 56.287 0.012 0.000 0.828 227 K CB 1.462 33.974 32.500 0.020 0.000 1.272 227 K HN 0.014 nan 8.250 nan 0.000 0.439 228 I N 2.940 123.532 120.570 0.037 0.000 2.533 228 I HA 0.007 4.176 4.170 -0.002 0.000 0.284 228 I C 0.284 176.412 176.117 0.019 0.000 1.109 228 I CA -0.027 61.278 61.300 0.009 0.000 1.412 228 I CB 0.334 38.338 38.000 0.008 0.000 1.396 228 I HN 0.336 nan 8.210 nan 0.000 0.543 229 K N 5.524 125.840 120.400 -0.139 0.000 2.527 229 K HA -0.068 4.251 4.320 -0.002 0.000 0.278 229 K C 0.577 177.039 176.600 -0.229 0.000 0.981 229 K CA -0.230 55.880 56.287 -0.295 0.000 1.009 229 K CB 0.595 32.657 32.500 -0.730 0.000 0.895 229 K HN 0.498 nan 8.250 nan 0.000 0.493 230 D N 2.317 122.657 120.400 -0.099 0.000 2.123 230 D HA -0.174 4.465 4.640 -0.002 0.000 0.196 230 D C 1.676 178.048 176.300 0.121 0.000 0.992 230 D CA 1.577 55.622 54.000 0.074 0.000 0.833 230 D CB -0.160 40.701 40.800 0.102 0.000 0.954 230 D HN 0.620 nan 8.370 nan 0.000 0.455 231 F N 0.711 120.758 119.950 0.163 0.000 2.365 231 F HA 0.181 4.707 4.527 -0.002 0.000 0.300 231 F C 2.193 178.105 175.800 0.187 0.000 1.090 231 F CA 0.477 58.568 58.000 0.152 0.000 1.408 231 F CB -0.776 38.287 39.000 0.106 0.000 1.060 231 F HN -0.099 nan 8.300 nan 0.000 0.534 232 A N 0.166 122.880 122.820 -0.177 0.000 1.897 232 A HA -0.068 4.251 4.320 -0.002 0.000 0.215 232 A C 2.057 179.742 177.584 0.168 0.000 1.181 232 A CA 1.129 53.188 52.037 0.035 0.000 0.620 232 A CB -1.560 17.339 19.000 -0.169 0.000 0.821 232 A HN 0.595 nan 8.150 nan 0.000 0.443 233 W N 0.306 121.636 121.300 0.050 0.000 2.363 233 W HA -0.158 4.502 4.660 -0.002 0.000 0.296 233 W C 2.669 179.280 176.519 0.153 0.000 1.212 233 W CA 1.632 59.019 57.345 0.069 0.000 1.260 233 W CB -0.083 29.378 29.460 0.001 0.000 1.131 233 W HN 0.435 nan 8.180 nan 0.000 0.530 234 Q N -0.382 119.653 119.800 0.390 0.000 2.050 234 Q HA -0.209 4.130 4.340 -0.002 0.000 0.202 234 Q C 2.428 178.588 176.000 0.267 0.000 0.980 234 Q CA 1.899 57.879 55.803 0.294 0.000 0.840 234 Q CB -0.712 28.179 28.738 0.255 0.000 0.898 234 Q HN 0.292 nan 8.270 nan 0.000 0.424 235 A N 0.136 123.138 122.820 0.302 0.000 1.902 235 A HA -0.234 4.085 4.320 -0.002 0.000 0.217 235 A C 1.919 179.676 177.584 0.288 0.000 1.181 235 A CA 1.466 53.676 52.037 0.288 0.000 0.623 235 A CB -0.923 18.282 19.000 0.341 0.000 0.818 235 A HN 0.521 nan 8.150 nan 0.000 0.443 236 Y N 1.151 121.529 120.300 0.130 0.000 2.097 236 Y HA -0.272 4.277 4.550 -0.002 0.000 0.282 236 Y C 2.263 178.125 175.900 -0.064 0.000 1.152 236 Y CA 2.286 60.267 58.100 -0.199 0.000 1.136 236 Y CB -0.504 37.575 38.460 -0.635 0.000 0.975 236 Y HN 0.429 nan 8.280 nan 0.000 0.498 237 N N 0.765 119.577 118.700 0.186 0.000 2.205 237 N HA -0.222 4.517 4.740 -0.002 0.000 0.186 237 N C 1.472 176.990 175.510 0.013 0.000 1.015 237 N CA 1.783 54.903 53.050 0.116 0.000 0.862 237 N CB -0.384 38.247 38.487 0.240 0.000 0.986 237 N HN 0.607 nan 8.380 nan 0.000 0.429 238 K N -1.582 118.843 120.400 0.042 0.000 2.444 238 K HA 0.200 4.519 4.320 -0.002 0.000 0.193 238 K C 0.778 177.367 176.600 -0.018 0.000 1.024 238 K CA 0.730 57.031 56.287 0.023 0.000 1.077 238 K CB 0.136 32.672 32.500 0.059 0.000 0.833 238 K HN 0.103 nan 8.250 nan 0.000 0.517 239 G N 0.583 109.337 108.800 -0.076 0.000 2.168 239 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.197 239 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.197 239 G C -0.070 174.800 174.900 -0.050 0.000 0.997 239 G CA -0.123 44.919 45.100 -0.097 0.000 0.658 239 G HN 0.139 nan 8.290 nan 0.000 0.513 240 V N 1.695 121.629 119.914 0.034 0.000 2.529 240 V HA 0.305 4.424 4.120 -0.002 0.000 0.292 240 V C 1.246 177.450 176.094 0.185 0.000 1.028 240 V CA -0.166 62.208 62.300 0.124 0.000 1.074 240 V CB 1.522 33.490 31.823 0.241 0.000 0.958 240 V HN 0.296 nan 8.190 nan 0.000 0.481 241 V N 6.637 126.611 119.914 0.101 0.000 2.415 241 V HA 0.183 4.302 4.120 -0.002 0.000 0.267 241 V C 0.047 176.287 176.094 0.243 0.000 1.042 241 V CA -0.220 62.140 62.300 0.101 0.000 1.000 241 V CB -0.072 31.722 31.823 -0.048 0.000 1.015 241 V HN 0.552 nan 8.190 nan 0.000 0.478 242 F N 3.639 123.561 119.950 -0.048 0.000 2.444 242 F HA 0.346 4.871 4.527 -0.002 0.000 0.360 242 F C 0.456 176.176 175.800 -0.132 0.000 1.106 242 F CA -0.992 56.956 58.000 -0.088 0.000 1.170 242 F CB 0.658 39.610 39.000 -0.081 0.000 1.113 242 F HN 0.536 nan 8.300 nan 0.000 0.521 243 D N 3.307 123.687 120.400 -0.034 0.000 2.278 243 D HA 0.345 4.984 4.640 -0.002 0.000 0.245 243 D C 1.171 177.405 176.300 -0.110 0.000 1.052 243 D CA -0.494 53.482 54.000 -0.040 0.000 0.834 243 D CB 1.072 41.879 40.800 0.010 0.000 1.194 243 D HN 0.180 nan 8.370 nan 0.000 0.481 244 I N 3.116 123.626 120.570 -0.100 0.000 2.099 244 I HA -0.023 4.146 4.170 -0.002 0.000 0.239 244 I C 1.774 177.879 176.117 -0.020 0.000 1.066 244 I CA 1.608 62.848 61.300 -0.100 0.000 1.324 244 I CB -1.602 36.328 38.000 -0.116 0.000 1.037 244 I HN 0.866 nan 8.210 nan 0.000 0.401 245 G N 1.718 110.502 108.800 -0.027 0.000 2.393 245 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.299 245 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.299 245 G C 1.051 176.000 174.900 0.082 0.000 0.990 245 G CA 1.109 46.154 45.100 -0.090 0.000 1.118 245 G HN 0.565 nan 8.290 nan 0.000 0.513 246 H N 0.566 119.598 119.070 -0.062 0.000 2.275 246 H HA -0.178 4.377 4.556 -0.002 0.000 0.287 246 H C 2.208 177.543 175.328 0.013 0.000 1.097 246 H CA 3.520 59.549 56.048 -0.031 0.000 1.169 246 H CB -0.525 29.136 29.762 -0.168 0.000 1.349 246 H HN 1.932 nan 8.280 nan 0.000 0.501 247 G N -1.737 107.223 108.800 0.267 0.000 2.894 247 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.247 247 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.247 247 G C 1.036 176.084 174.900 0.248 0.000 1.442 247 G CA 0.752 45.971 45.100 0.199 0.000 0.897 247 G HN 0.525 nan 8.290 nan 0.000 0.550 248 T N -0.170 114.489 114.554 0.174 0.000 2.867 248 T HA 0.049 4.398 4.350 -0.002 0.000 0.268 248 T C 1.223 175.974 174.700 0.084 0.000 1.057 248 T CA 1.982 64.161 62.100 0.131 0.000 1.136 248 T CB -0.095 68.869 68.868 0.160 0.000 0.874 248 T HN 0.552 nan 8.240 nan 0.000 0.466 249 D N -0.143 120.270 120.400 0.022 0.000 2.620 249 D HA 0.235 4.874 4.640 -0.002 0.000 0.260 249 D C 0.340 176.564 176.300 -0.127 0.000 1.367 249 D CA 0.055 54.029 54.000 -0.043 0.000 0.805 249 D CB 0.846 41.618 40.800 -0.047 0.000 1.096 249 D HN 0.176 nan 8.370 nan 0.000 0.488 250 S N 0.073 115.681 115.700 -0.153 0.000 2.593 250 S HA 0.187 4.656 4.470 -0.002 0.000 0.236 250 S C -0.106 174.430 174.600 -0.107 0.000 0.991 250 S CA -0.460 57.616 58.200 -0.206 0.000 0.963 250 S CB 0.692 63.631 63.200 -0.435 0.000 0.865 250 S HN 0.207 nan 8.310 nan 0.000 0.488 251 F N 2.952 122.655 119.950 -0.411 0.000 2.536 251 F HA 0.554 5.080 4.527 -0.001 0.000 0.322 251 F C -0.933 174.632 175.800 -0.391 0.000 1.144 251 F CA -1.017 56.684 58.000 -0.498 0.000 0.924 251 F CB 1.015 39.375 39.000 -1.066 0.000 1.181 251 F HN -0.074 nan 8.300 nan 0.000 0.438 252 N N 5.928 124.003 118.700 -1.042 0.000 2.399 252 N HA 0.169 4.908 4.740 -0.002 0.000 0.280 252 N C 0.417 175.363 175.510 -0.939 0.000 1.008 252 N CA -0.274 52.323 53.050 -0.755 0.000 0.894 252 N CB 0.901 39.193 38.487 -0.325 0.000 1.273 252 N HN 0.557 nan 8.380 nan 0.000 0.486 253 F N 2.046 121.605 119.950 -0.653 0.000 2.091 253 F HA -0.164 4.361 4.527 -0.002 0.000 0.299 253 F C 2.396 178.033 175.800 -0.271 0.000 1.103 253 F CA 1.518 59.281 58.000 -0.394 0.000 1.228 253 F CB -0.692 38.239 39.000 -0.116 0.000 0.984 253 F HN 0.718 nan 8.300 nan 0.000 0.477 254 H N -0.228 118.807 119.070 -0.058 0.000 2.352 254 H HA -0.140 4.415 4.556 -0.002 0.000 0.299 254 H C 2.142 177.368 175.328 -0.170 0.000 1.097 254 H CA 2.011 58.004 56.048 -0.093 0.000 1.311 254 H CB -0.432 29.284 29.762 -0.076 0.000 1.377 254 H HN 0.047 nan 8.280 nan 0.000 0.504 255 V N 0.477 120.214 119.914 -0.295 0.000 2.295 255 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 255 V C 2.742 178.470 176.094 -0.611 0.000 1.049 255 V CA 1.700 63.769 62.300 -0.385 0.000 1.024 255 V CB -1.282 30.395 31.823 -0.244 0.000 0.648 255 V HN 0.680 nan 8.190 nan 0.000 0.447 256 A N -0.287 122.129 122.820 -0.674 0.000 1.902 256 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 256 A C 2.167 179.467 177.584 -0.473 0.000 1.181 256 A CA 1.873 53.392 52.037 -0.864 0.000 0.623 256 A CB -0.432 18.394 19.000 -0.289 0.000 0.818 256 A HN 0.641 nan 8.150 nan 0.000 0.443 257 E N -0.891 119.135 120.200 -0.290 0.000 2.072 257 E HA -0.108 4.241 4.350 -0.002 0.000 0.191 257 E C 2.070 178.526 176.600 -0.241 0.000 0.985 257 E CA 1.515 57.804 56.400 -0.185 0.000 0.801 257 E CB -0.323 29.306 29.700 -0.120 0.000 0.750 257 E HN 0.564 nan 8.360 nan 0.000 0.452 258 T N 1.053 115.382 114.554 -0.376 0.000 2.708 258 T HA -0.177 4.172 4.350 -0.002 0.000 0.266 258 T C 2.033 176.591 174.700 -0.237 0.000 1.037 258 T CA 1.272 63.176 62.100 -0.326 0.000 1.146 258 T CB -0.285 68.326 68.868 -0.429 0.000 0.865 258 T HN 0.258 nan 8.240 nan 0.000 0.435 259 A N 1.360 123.976 122.820 -0.340 0.000 1.883 259 A HA -0.062 4.256 4.320 -0.002 0.000 0.217 259 A C 2.251 179.730 177.584 -0.174 0.000 1.186 259 A CA 1.476 53.325 52.037 -0.313 0.000 0.624 259 A CB -0.892 17.774 19.000 -0.557 0.000 0.822 259 A HN 0.407 nan 8.150 nan 0.000 0.444 260 L N -0.172 120.965 121.223 -0.142 0.000 2.017 260 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 260 L C 2.407 179.266 176.870 -0.017 0.000 1.073 260 L CA 2.058 56.882 54.840 -0.028 0.000 0.745 260 L CB -0.635 41.456 42.059 0.054 0.000 0.894 260 L HN 0.360 nan 8.230 nan 0.000 0.432 261 R N -0.448 120.029 120.500 -0.038 0.000 2.159 261 R HA -0.147 4.192 4.340 -0.002 0.000 0.237 261 R C 1.797 178.104 176.300 0.012 0.000 1.131 261 R CA 1.573 57.661 56.100 -0.019 0.000 0.982 261 R CB -0.201 30.076 30.300 -0.039 0.000 0.868 261 R HN 0.550 nan 8.270 nan 0.000 0.453 262 E N -0.343 119.885 120.200 0.047 0.000 2.489 262 E HA 0.111 4.460 4.350 -0.002 0.000 0.193 262 E C 0.468 177.211 176.600 0.238 0.000 1.057 262 E CA 0.164 56.652 56.400 0.147 0.000 0.866 262 E CB 0.652 30.526 29.700 0.290 0.000 0.916 262 E HN 0.410 nan 8.360 nan 0.000 0.500 266 A N 0.863 123.942 122.820 0.431 0.000 2.407 266 A HA 0.514 4.833 4.320 -0.002 0.000 0.248 266 A C 1.057 178.736 177.584 0.159 0.000 1.082 266 A CA 0.652 52.816 52.037 0.211 0.000 0.785 266 A CB 0.565 19.615 19.000 0.084 0.000 1.020 266 A HN 0.846 nan 8.150 nan 0.000 0.489 267 A N 1.667 124.551 122.820 0.107 0.000 1.970 267 A HA 0.336 4.655 4.320 -0.002 0.000 0.216 267 A C 1.171 178.778 177.584 0.039 0.000 1.170 267 A CA 1.492 53.556 52.037 0.044 0.000 0.645 267 A CB -0.434 18.571 19.000 0.008 0.000 0.816 267 A HN 1.721 nan 8.150 nan 0.000 0.447 268 S N -1.554 114.173 115.700 0.045 0.000 2.546 268 S HA 0.725 5.194 4.470 -0.002 0.000 0.274 268 S C -0.915 173.697 174.600 0.021 0.000 1.121 268 S CA -0.653 57.567 58.200 0.034 0.000 0.887 268 S CB 1.307 64.527 63.200 0.034 0.000 1.094 268 S HN 0.186 nan 8.310 nan 0.000 0.474 269 I N 2.887 123.457 120.570 0.001 0.000 2.354 269 I HA 0.558 4.727 4.170 -0.002 0.000 0.292 269 I C 0.095 176.188 176.117 -0.040 0.000 0.989 269 I CA -0.198 61.076 61.300 -0.044 0.000 1.188 269 I CB 1.732 39.682 38.000 -0.083 0.000 1.342 269 I HN 0.938 nan 8.210 nan 0.000 0.457 270 S N 1.819 117.494 115.700 -0.040 0.000 2.661 270 S HA 0.475 4.944 4.470 -0.002 0.000 0.285 270 S C 0.311 174.884 174.600 -0.044 0.000 1.138 270 S CA -0.173 58.019 58.200 -0.013 0.000 0.855 270 S CB 1.848 65.082 63.200 0.056 0.000 1.136 270 S HN 0.672 nan 8.310 nan 0.000 0.484 271 T N -2.996 111.534 114.554 -0.040 0.000 3.023 271 T HA 0.178 4.527 4.350 -0.002 0.000 0.249 271 T C 0.440 175.100 174.700 -0.067 0.000 1.050 271 T CA 0.966 63.034 62.100 -0.054 0.000 1.088 271 T CB -0.780 68.055 68.868 -0.055 0.000 0.946 271 T HN 0.934 nan 8.240 nan 0.000 0.480 272 D N 0.593 120.894 120.400 -0.166 0.000 2.708 272 D HA -0.176 4.463 4.640 -0.002 0.000 0.236 272 D C -0.269 176.059 176.300 0.047 0.000 1.146 272 D CA 0.220 54.077 54.000 -0.238 0.000 0.662 272 D CB -1.972 38.629 40.800 -0.333 0.000 1.059 272 D HN 0.775 nan 8.370 nan 0.000 0.428 273 I N 1.120 121.711 120.570 0.035 0.000 2.532 273 I HA 0.485 4.653 4.170 -0.002 0.000 0.292 273 I C 0.021 176.200 176.117 0.103 0.000 1.014 273 I CA -0.616 60.704 61.300 0.033 0.000 1.340 273 I CB 0.545 38.529 38.000 -0.027 0.000 1.422 273 I HN 0.208 nan 8.210 nan 0.000 0.528 274 Y N 4.274 124.462 120.300 -0.187 0.000 2.656 274 Y HA 0.353 4.902 4.550 -0.002 0.000 0.334 274 Y C 0.359 176.096 175.900 -0.271 0.000 1.179 274 Y CA -1.043 56.893 58.100 -0.274 0.000 1.050 274 Y CB 0.547 38.725 38.460 -0.470 0.000 1.308 274 Y HN 0.555 nan 8.280 nan 0.000 0.456 275 I N 1.508 121.818 120.570 -0.433 0.000 2.181 275 I HA -0.355 3.813 4.170 -0.002 0.000 0.247 275 I C 2.194 177.982 176.117 -0.549 0.000 1.081 275 I CA 1.973 63.001 61.300 -0.454 0.000 1.340 275 I CB -0.114 37.585 38.000 -0.503 0.000 1.036 275 I HN 0.842 nan 8.210 nan 0.000 0.417 276 R N 0.574 120.531 120.500 -0.904 0.000 2.066 276 R HA -0.186 4.153 4.340 -0.002 0.000 0.232 276 R C 1.867 177.786 176.300 -0.634 0.000 1.131 276 R CA 1.935 57.605 56.100 -0.716 0.000 0.955 276 R CB -0.688 29.221 30.300 -0.651 0.000 0.851 276 R HN 0.600 nan 8.270 nan 0.000 0.432 277 N N 0.636 118.837 118.700 -0.832 0.000 2.494 277 N HA -0.136 4.603 4.740 -0.002 0.000 0.182 277 N C 1.536 176.761 175.510 -0.474 0.000 1.076 277 N CA 0.751 53.504 53.050 -0.494 0.000 0.908 277 N CB -0.147 38.155 38.487 -0.309 0.000 0.967 277 N HN 0.171 nan 8.380 nan 0.000 0.449 278 R N 0.613 120.863 120.500 -0.417 0.000 2.066 278 R HA 0.099 4.437 4.340 -0.002 0.000 0.224 278 R C 1.579 177.752 176.300 -0.211 0.000 1.122 278 R CA 0.933 56.867 56.100 -0.276 0.000 0.974 278 R CB -0.055 30.141 30.300 -0.173 0.000 0.871 278 R HN 0.236 nan 8.270 nan 0.000 0.435 279 E N 0.074 120.157 120.200 -0.196 0.000 2.072 279 E HA -0.078 4.271 4.350 -0.002 0.000 0.190 279 E C 0.888 177.441 176.600 -0.078 0.000 0.982 279 E CA 0.985 57.331 56.400 -0.088 0.000 0.803 279 E CB 0.133 29.782 29.700 -0.085 0.000 0.755 279 E HN 0.430 nan 8.360 nan 0.000 0.453 280 N N -0.174 118.412 118.700 -0.191 0.000 2.205 280 N HA 0.114 4.853 4.740 -0.002 0.000 0.201 280 N C 0.482 175.801 175.510 -0.318 0.000 1.128 280 N CA 0.750 53.709 53.050 -0.151 0.000 0.867 280 N CB 1.536 39.955 38.487 -0.114 0.000 0.996 280 N HN 0.136 nan 8.380 nan 0.000 0.503 281 G N 2.140 110.480 108.800 -0.766 0.000 2.760 281 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.246 281 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.246 281 G C -2.036 172.578 174.900 -0.477 0.000 1.359 281 G CA -0.313 44.126 45.100 -1.101 0.000 0.861 281 G HN 0.048 nan 8.290 nan 0.000 0.541 282 P HA 0.115 nan 4.420 nan 0.000 0.229 282 P C 0.890 177.942 177.300 -0.413 0.000 1.160 282 P CA 1.507 64.459 63.100 -0.247 0.000 0.777 282 P CB 0.232 31.938 31.700 0.010 0.000 0.814 283 V N 0.035 119.629 119.914 -0.533 0.000 2.318 283 V HA 0.211 4.330 4.120 -0.002 0.000 0.271 283 V C 0.519 176.373 176.094 -0.400 0.000 1.030 283 V CA -0.501 61.496 62.300 -0.506 0.000 0.844 283 V CB 0.057 31.589 31.823 -0.485 0.000 1.015 283 V HN -0.141 nan 8.190 nan 0.000 0.460 284 Y N 4.494 124.697 120.300 -0.163 0.000 2.436 284 Y HA 0.288 4.837 4.550 -0.002 0.000 0.288 284 Y C 0.865 176.719 175.900 -0.077 0.000 1.112 284 Y CA 0.416 58.455 58.100 -0.101 0.000 1.220 284 Y CB 0.390 38.812 38.460 -0.065 0.000 1.073 284 Y HN 0.893 nan 8.280 nan 0.000 0.552 285 D N -3.518 116.927 120.400 0.075 0.000 2.769 285 D HA 0.049 4.688 4.640 -0.002 0.000 0.309 285 D C 0.151 176.457 176.300 0.010 0.000 1.315 285 D CA -0.699 53.328 54.000 0.046 0.000 0.780 285 D CB 0.285 41.138 40.800 0.087 0.000 1.312 285 D HN -0.111 nan 8.370 nan 0.000 0.437 286 L N 0.805 122.045 121.223 0.029 0.000 2.027 286 L HA 0.169 4.508 4.340 -0.002 0.000 0.206 286 L C 2.325 179.157 176.870 -0.064 0.000 1.074 286 L CA 2.676 57.504 54.840 -0.020 0.000 0.745 286 L CB -1.102 40.971 42.059 0.023 0.000 0.898 286 L HN 0.683 nan 8.230 nan 0.000 0.433 287 A N -1.435 121.389 122.820 0.007 0.000 1.903 287 A HA -0.290 4.029 4.320 -0.002 0.000 0.219 287 A C 2.289 179.877 177.584 0.007 0.000 1.191 287 A CA 2.654 54.687 52.037 -0.007 0.000 0.638 287 A CB -1.354 17.723 19.000 0.127 0.000 0.823 287 A HN 0.526 nan 8.150 nan 0.000 0.451 288 T N -0.110 114.457 114.554 0.022 0.000 2.867 288 T HA -0.022 4.327 4.350 -0.002 0.000 0.268 288 T C 1.177 175.861 174.700 -0.026 0.000 1.057 288 T CA 1.337 63.453 62.100 0.027 0.000 1.136 288 T CB -0.434 68.474 68.868 0.066 0.000 0.874 288 T HN 0.580 nan 8.240 nan 0.000 0.466 292 K N 0.980 121.383 120.400 0.005 0.000 2.062 292 K HA 0.059 4.378 4.320 -0.002 0.000 0.205 292 K C 1.842 178.468 176.600 0.043 0.000 1.051 292 K CA 0.959 57.327 56.287 0.135 0.000 0.941 292 K CB 0.147 32.652 32.500 0.008 0.000 0.719 292 K HN 0.005 nan 8.250 nan 0.000 0.440 293 L N 0.618 121.710 121.223 -0.218 0.000 2.395 293 L HA -0.060 4.278 4.340 -0.002 0.000 0.218 293 L C 2.358 178.979 176.870 -0.415 0.000 1.130 293 L CA 0.530 55.100 54.840 -0.450 0.000 0.826 293 L CB -0.123 41.514 42.059 -0.704 0.000 0.941 293 L HN 0.026 nan 8.230 nan 0.000 0.451 294 R N -0.027 120.250 120.500 -0.372 0.000 2.062 294 R HA -0.087 4.252 4.340 -0.002 0.000 0.229 294 R C 2.105 178.262 176.300 -0.238 0.000 1.128 294 R CA 1.707 57.517 56.100 -0.483 0.000 0.960 294 R CB -1.007 28.805 30.300 -0.813 0.000 0.855 294 R HN 0.149 nan 8.270 nan 0.000 0.432 295 V N -0.020 119.824 119.914 -0.116 0.000 2.626 295 V HA -0.106 4.013 4.120 -0.002 0.000 0.252 295 V C 1.922 177.990 176.094 -0.043 0.000 1.067 295 V CA 1.557 63.823 62.300 -0.056 0.000 1.081 295 V CB -0.064 31.745 31.823 -0.024 0.000 0.686 295 V HN 0.232 nan 8.190 nan 0.000 0.468 296 V N 0.405 120.315 119.914 -0.006 0.000 2.427 296 V HA 0.083 4.202 4.120 -0.002 0.000 0.248 296 V C 2.003 178.108 176.094 0.019 0.000 1.051 296 V CA 1.991 64.304 62.300 0.022 0.000 1.048 296 V CB -0.151 31.678 31.823 0.010 0.000 0.666 296 V HN 0.776 nan 8.190 nan 0.000 0.456 297 G N -3.335 105.476 108.800 0.018 0.000 2.935 297 G HA2 -0.114 3.845 3.960 -0.002 0.000 0.213 297 G HA3 -0.114 3.845 3.960 -0.002 0.000 0.213 297 G C -0.088 174.903 174.900 0.152 0.000 0.984 297 G CA -0.420 44.725 45.100 0.073 0.000 0.790 297 G HN 0.235 nan 8.290 nan 0.000 0.538 298 Y N 2.779 123.008 120.300 -0.119 0.000 2.550 298 Y HA 0.431 4.980 4.550 -0.002 0.000 0.343 298 Y C 0.923 176.680 175.900 -0.238 0.000 1.245 298 Y CA -0.592 57.424 58.100 -0.140 0.000 1.462 298 Y CB 0.374 38.754 38.460 -0.134 0.000 1.340 298 Y HN 0.434 nan 8.280 nan 0.000 0.604 299 D N -1.037 119.342 120.400 -0.033 0.000 2.277 299 D HA 0.104 4.742 4.640 -0.002 0.000 0.250 299 D C 0.328 176.558 176.300 -0.118 0.000 1.032 299 D CA -0.762 53.167 54.000 -0.118 0.000 0.947 299 D CB 0.475 41.266 40.800 -0.015 0.000 1.159 299 D HN 0.555 nan 8.370 nan 0.000 0.460 300 W N 0.075 121.387 121.300 0.021 0.000 2.321 300 W HA -0.043 4.617 4.660 -0.001 0.000 0.306 300 W C -0.847 175.662 176.519 -0.016 0.000 1.217 300 W CA 0.812 58.145 57.345 -0.020 0.000 1.257 300 W CB -1.412 28.017 29.460 -0.053 0.000 1.145 300 W HN 0.480 nan 8.180 nan 0.000 0.509 301 P HA -0.253 nan 4.420 nan 0.000 0.215 301 P C 1.239 178.600 177.300 0.101 0.000 1.157 301 P CA 2.576 65.764 63.100 0.146 0.000 0.868 301 P CB -0.332 31.435 31.700 0.112 0.000 0.788 302 E N -0.373 119.866 120.200 0.066 0.000 2.152 302 E HA -0.113 4.236 4.350 -0.002 0.000 0.192 302 E C 1.987 178.621 176.600 0.056 0.000 0.983 302 E CA 0.869 57.290 56.400 0.035 0.000 0.818 302 E CB -1.059 28.627 29.700 -0.023 0.000 0.758 302 E HN 0.199 nan 8.360 nan 0.000 0.467 303 I N 1.174 121.788 120.570 0.074 0.000 2.163 303 I HA -0.266 3.903 4.170 -0.002 0.000 0.243 303 I C 2.485 178.599 176.117 -0.006 0.000 1.085 303 I CA 0.865 62.195 61.300 0.050 0.000 1.347 303 I CB -0.263 37.742 38.000 0.008 0.000 1.044 303 I HN 0.165 nan 8.210 nan 0.000 0.408 304 I N 0.748 121.336 120.570 0.029 0.000 2.208 304 I HA -0.310 3.859 4.170 -0.002 0.000 0.245 304 I C 2.556 178.682 176.117 0.014 0.000 1.097 304 I CA 1.670 62.958 61.300 -0.020 0.000 1.363 304 I CB -1.210 36.857 38.000 0.112 0.000 1.051 304 I HN 0.407 nan 8.210 nan 0.000 0.413 305 E N 1.251 121.480 120.200 0.047 0.000 2.153 305 E HA -0.227 4.122 4.350 -0.002 0.000 0.194 305 E C 1.852 178.468 176.600 0.027 0.000 0.988 305 E CA 1.144 57.572 56.400 0.048 0.000 0.811 305 E CB 0.091 29.816 29.700 0.043 0.000 0.746 305 E HN 0.419 nan 8.360 nan 0.000 0.466 306 K N 0.022 120.431 120.400 0.014 0.000 2.486 306 K HA -0.021 4.298 4.320 -0.002 0.000 0.194 306 K C 1.316 177.909 176.600 -0.013 0.000 1.033 306 K CA 0.794 57.088 56.287 0.013 0.000 1.004 306 K CB 0.671 33.199 32.500 0.045 0.000 0.798 306 K HN 0.151 nan 8.250 nan 0.000 0.495 307 V N -2.945 116.940 119.914 -0.049 0.000 3.159 307 V HA 0.186 4.305 4.120 -0.002 0.000 0.333 307 V C 0.772 176.888 176.094 0.036 0.000 1.424 307 V CA 0.211 62.473 62.300 -0.064 0.000 1.125 307 V CB -0.076 31.591 31.823 -0.261 0.000 1.075 307 V HN 0.208 nan 8.190 nan 0.000 0.482 308 T N -3.208 111.386 114.554 0.066 0.000 3.422 308 T HA 0.180 4.529 4.350 -0.002 0.000 0.179 308 T C 1.542 176.296 174.700 0.089 0.000 0.946 308 T CA 0.709 62.882 62.100 0.121 0.000 1.025 308 T CB 0.212 69.180 68.868 0.168 0.000 1.298 308 T HN 0.150 nan 8.240 nan 0.000 0.312 309 K N 1.591 122.035 120.400 0.073 0.000 2.057 309 K HA 0.063 4.382 4.320 -0.002 0.000 0.207 309 K C 2.484 179.099 176.600 0.026 0.000 1.049 309 K CA 1.441 57.758 56.287 0.050 0.000 0.931 309 K CB -0.672 31.855 32.500 0.045 0.000 0.714 309 K HN 0.440 nan 8.250 nan 0.000 0.440 310 A N 1.971 124.803 122.820 0.020 0.000 1.835 310 A HA -0.091 4.228 4.320 -0.002 0.000 0.215 310 A C -0.520 177.060 177.584 -0.006 0.000 1.199 310 A CA 1.473 53.508 52.037 -0.004 0.000 0.615 310 A CB -1.651 17.349 19.000 -0.000 0.000 0.838 310 A HN 0.374 nan 8.150 nan 0.000 0.444 311 P HA -0.183 nan 4.420 nan 0.000 0.216 311 P C 1.587 178.940 177.300 0.089 0.000 1.150 311 P CA 2.103 65.258 63.100 0.092 0.000 0.837 311 P CB -0.223 31.549 31.700 0.119 0.000 0.786 312 A N 0.522 123.377 122.820 0.057 0.000 1.908 312 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 312 A C 2.264 179.839 177.584 -0.015 0.000 1.181 312 A CA 1.784 53.843 52.037 0.036 0.000 0.627 312 A CB -1.268 17.759 19.000 0.045 0.000 0.818 312 A HN 0.202 nan 8.150 nan 0.000 0.445 313 E N -0.389 119.784 120.200 -0.046 0.000 2.112 313 E HA -0.131 4.218 4.350 -0.002 0.000 0.190 313 E C 1.733 178.163 176.600 -0.284 0.000 0.979 313 E CA 0.762 57.100 56.400 -0.103 0.000 0.814 313 E CB -0.148 29.510 29.700 -0.071 0.000 0.762 313 E HN 0.537 nan 8.360 nan 0.000 0.460 314 N N 0.254 118.765 118.700 -0.316 0.000 2.137 314 N HA -0.155 4.584 4.740 -0.002 0.000 0.190 314 N C 0.721 175.603 175.510 -1.046 0.000 1.017 314 N CA 1.178 53.845 53.050 -0.638 0.000 0.859 314 N CB -0.122 37.976 38.487 -0.648 0.000 1.002 314 N HN 0.126 nan 8.380 nan 0.000 0.428 315 F N -0.946 118.808 119.950 -0.327 0.000 2.735 315 F HA 0.265 4.791 4.527 -0.002 0.000 0.304 315 F C -0.042 175.586 175.800 -0.287 0.000 1.119 315 F CA -0.594 57.204 58.000 -0.337 0.000 1.280 315 F CB -0.756 38.106 39.000 -0.231 0.000 0.994 315 F HN 0.029 nan 8.300 nan 0.000 0.520 316 H N -0.276 118.769 119.070 -0.042 0.000 2.713 316 H HA -0.144 4.411 4.556 -0.002 0.000 0.311 316 H C -0.291 174.988 175.328 -0.081 0.000 1.175 316 H CA -0.275 55.739 56.048 -0.057 0.000 1.143 316 H CB -1.193 28.535 29.762 -0.057 0.000 1.434 316 H HN 0.020 nan 8.280 nan 0.000 0.418 317 L N 2.121 123.334 121.223 -0.016 0.000 2.399 317 L HA 0.049 4.388 4.340 -0.002 0.000 0.257 317 L C 1.965 178.830 176.870 -0.007 0.000 1.236 317 L CA 1.197 55.985 54.840 -0.087 0.000 1.144 317 L CB -0.854 41.133 42.059 -0.121 0.000 1.379 317 L HN 0.532 nan 8.230 nan 0.000 0.414 318 T N -1.461 113.101 114.554 0.013 0.000 2.822 318 T HA -0.232 4.117 4.350 -0.002 0.000 0.270 318 T C 1.382 176.100 174.700 0.030 0.000 1.064 318 T CA 1.051 63.167 62.100 0.027 0.000 1.131 318 T CB 0.089 68.969 68.868 0.020 0.000 0.858 318 T HN 0.247 nan 8.240 nan 0.000 0.483 319 Q N 0.691 120.510 119.800 0.033 0.000 2.360 319 Q HA 0.397 4.736 4.340 -0.002 0.000 0.202 319 Q C 0.178 176.216 176.000 0.063 0.000 0.915 319 Q CA 0.398 56.231 55.803 0.050 0.000 0.943 319 Q CB 0.348 29.124 28.738 0.064 0.000 1.064 319 Q HN 0.651 nan 8.270 nan 0.000 0.511 320 K N -2.941 117.495 120.400 0.061 0.000 2.372 320 K HA 0.683 5.001 4.320 -0.002 0.000 0.251 320 K C 0.334 176.978 176.600 0.074 0.000 1.055 320 K CA -0.487 55.847 56.287 0.079 0.000 0.879 320 K CB 1.537 34.099 32.500 0.104 0.000 1.384 320 K HN -0.090 nan 8.250 nan 0.000 0.465 321 G N -0.014 108.842 108.800 0.093 0.000 2.258 321 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.233 321 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.233 321 G C 0.074 175.030 174.900 0.093 0.000 1.006 321 G CA 0.538 45.694 45.100 0.094 0.000 0.620 321 G HN 0.830 nan 8.290 nan 0.000 0.511 322 T N -1.877 112.726 114.554 0.080 0.000 2.864 322 T HA 0.679 5.028 4.350 -0.002 0.000 0.299 322 T C 0.052 174.792 174.700 0.067 0.000 1.166 322 T CA -0.726 61.419 62.100 0.075 0.000 1.007 322 T CB 1.861 70.764 68.868 0.058 0.000 1.219 322 T HN 0.544 nan 8.240 nan 0.000 0.506 323 L N 1.418 122.679 121.223 0.063 0.000 2.796 323 L HA 0.358 4.697 4.340 -0.002 0.000 0.235 323 L C 0.475 177.365 176.870 0.033 0.000 1.344 323 L CA -0.224 54.644 54.840 0.047 0.000 1.245 323 L CB -0.561 41.527 42.059 0.048 0.000 1.556 323 L HN 0.632 nan 8.230 nan 0.000 0.423 324 E N 0.748 120.967 120.200 0.033 0.000 2.214 324 E HA 0.412 4.761 4.350 -0.002 0.000 0.274 324 E C -0.135 176.477 176.600 0.021 0.000 0.977 324 E CA -0.847 55.569 56.400 0.027 0.000 0.827 324 E CB 2.360 32.078 29.700 0.030 0.000 1.130 324 E HN 0.242 nan 8.360 nan 0.000 0.394 325 I N 1.789 122.369 120.570 0.017 0.000 2.710 325 I HA -0.031 4.138 4.170 -0.002 0.000 0.286 325 I C 1.409 177.540 176.117 0.023 0.000 1.181 325 I CA 1.106 62.415 61.300 0.016 0.000 1.430 325 I CB 0.229 38.240 38.000 0.018 0.000 1.367 325 I HN 0.965 nan 8.210 nan 0.000 0.577 326 G N 4.794 113.609 108.800 0.025 0.000 2.234 326 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.235 326 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.235 326 G C 0.420 175.339 174.900 0.032 0.000 0.997 326 G CA -0.410 44.708 45.100 0.029 0.000 0.623 326 G HN 0.545 nan 8.290 nan 0.000 0.514 327 K N 0.998 121.417 120.400 0.032 0.000 2.107 327 K HA 0.363 4.682 4.320 -0.002 0.000 0.251 327 K C -0.308 176.318 176.600 0.043 0.000 1.012 327 K CA -0.665 55.646 56.287 0.040 0.000 0.920 327 K CB 0.383 32.908 32.500 0.042 0.000 1.033 327 K HN 0.131 nan 8.250 nan 0.000 0.478 328 D N 0.923 121.356 120.400 0.056 0.000 2.472 328 D HA -0.009 4.630 4.640 -0.002 0.000 0.237 328 D C -0.207 176.124 176.300 0.052 0.000 1.141 328 D CA 0.327 54.364 54.000 0.061 0.000 0.875 328 D CB 0.672 41.523 40.800 0.084 0.000 1.192 328 D HN 0.476 nan 8.370 nan 0.000 0.450 329 A N 3.021 125.866 122.820 0.043 0.000 3.037 329 A HA 0.147 4.466 4.320 -0.002 0.000 0.272 329 A C -0.479 177.129 177.584 0.040 0.000 1.723 329 A CA -0.335 51.719 52.037 0.029 0.000 1.413 329 A CB -0.242 18.765 19.000 0.012 0.000 1.112 329 A HN 0.247 nan 8.150 nan 0.000 0.606 330 D N 1.051 121.483 120.400 0.053 0.000 2.391 330 D HA 0.666 5.304 4.640 -0.002 0.000 0.245 330 D C -0.707 175.622 176.300 0.049 0.000 1.069 330 D CA 0.065 54.102 54.000 0.062 0.000 0.831 330 D CB 1.783 42.635 40.800 0.086 0.000 1.204 330 D HN 0.213 nan 8.370 nan 0.000 0.503 331 L N 0.922 122.160 121.223 0.025 0.000 2.424 331 L HA 0.531 4.870 4.340 -0.002 0.000 0.258 331 L C -0.069 176.766 176.870 -0.058 0.000 0.995 331 L CA -0.573 54.270 54.840 0.006 0.000 0.821 331 L CB 2.344 44.402 42.059 -0.002 0.000 1.383 331 L HN 0.121 nan 8.230 nan 0.000 0.410 332 T N 2.319 116.810 114.554 -0.105 0.000 2.812 332 T HA 0.724 5.073 4.350 -0.002 0.000 0.282 332 T C -0.501 174.164 174.700 -0.058 0.000 0.990 332 T CA -0.209 61.721 62.100 -0.283 0.000 0.960 332 T CB 0.971 69.260 68.868 -0.965 0.000 0.948 332 T HN 0.287 nan 8.240 nan 0.000 0.438 333 I N 5.078 125.607 120.570 -0.069 0.000 2.378 333 I HA 0.659 4.828 4.170 -0.002 0.000 0.291 333 I C -0.625 175.498 176.117 0.010 0.000 0.992 333 I CA -0.909 60.345 61.300 -0.077 0.000 1.154 333 I CB 0.972 38.915 38.000 -0.095 0.000 1.315 333 I HN 0.657 nan 8.210 nan 0.000 0.448 334 F N 2.683 122.620 119.950 -0.022 0.000 2.789 334 F HA 0.836 5.361 4.527 -0.002 0.000 0.319 334 F C -0.587 175.288 175.800 0.125 0.000 1.168 334 F CA -0.868 57.150 58.000 0.028 0.000 0.934 334 F CB 1.419 40.462 39.000 0.070 0.000 1.375 334 F HN 0.368 nan 8.300 nan 0.000 0.480 335 T N -0.844 113.917 114.554 0.345 0.000 2.916 335 T HA 0.820 5.169 4.350 -0.002 0.000 0.292 335 T C -1.124 173.760 174.700 0.307 0.000 1.055 335 T CA -0.696 61.563 62.100 0.265 0.000 1.009 335 T CB 1.979 70.914 68.868 0.112 0.000 1.118 335 T HN 0.760 nan 8.240 nan 0.000 0.497 336 I N 1.515 122.227 120.570 0.236 0.000 2.478 336 I HA 0.403 4.572 4.170 -0.002 0.000 0.287 336 I C -0.531 175.621 176.117 0.059 0.000 1.042 336 I CA -0.695 60.602 61.300 -0.005 0.000 1.067 336 I CB 2.068 39.887 38.000 -0.301 0.000 1.233 336 I HN 0.626 nan 8.210 nan 0.000 0.431 337 Q N 3.959 123.785 119.800 0.044 0.000 2.397 337 Q HA 0.675 5.014 4.340 -0.002 0.000 0.275 337 Q C -0.724 175.326 176.000 0.083 0.000 1.090 337 Q CA -0.952 54.892 55.803 0.068 0.000 0.809 337 Q CB 2.989 31.762 28.738 0.058 0.000 1.362 337 Q HN 0.760 nan 8.270 nan 0.000 0.431 338 A N 2.192 125.062 122.820 0.083 0.000 2.395 338 A HA 0.383 4.701 4.320 -0.002 0.000 0.286 338 A C -0.469 177.155 177.584 0.067 0.000 1.193 338 A CA 0.386 52.475 52.037 0.087 0.000 0.852 338 A CB 0.037 19.085 19.000 0.079 0.000 1.118 338 A HN 0.693 nan 8.150 nan 0.000 0.524 339 E N 2.628 122.870 120.200 0.070 0.000 2.481 339 E HA 0.165 4.514 4.350 -0.002 0.000 0.301 339 E C -0.969 175.663 176.600 0.053 0.000 0.948 339 E CA -0.414 56.017 56.400 0.052 0.000 0.804 339 E CB 1.017 30.745 29.700 0.045 0.000 1.265 339 E HN 0.777 nan 8.360 nan 0.000 0.406 340 E N 2.726 122.950 120.200 0.040 0.000 2.415 340 E HA 0.121 4.470 4.350 -0.002 0.000 0.262 340 E C -0.416 176.202 176.600 0.030 0.000 1.038 340 E CA 0.452 56.873 56.400 0.034 0.000 0.921 340 E CB 1.024 30.738 29.700 0.023 0.000 0.950 340 E HN 0.247 nan 8.360 nan 0.000 0.438 341 K N 1.193 121.611 120.400 0.030 0.000 2.557 341 K HA 0.180 4.499 4.320 -0.002 0.000 0.257 341 K C -1.473 175.144 176.600 0.029 0.000 0.933 341 K CA -0.442 55.859 56.287 0.023 0.000 0.820 341 K CB 1.831 34.348 32.500 0.030 0.000 1.330 341 K HN 0.362 nan 8.250 nan 0.000 0.432 342 T N 4.229 118.798 114.554 0.024 0.000 2.817 342 T HA 0.402 4.751 4.350 -0.002 0.000 0.293 342 T C -0.352 174.398 174.700 0.082 0.000 0.964 342 T CA -0.278 61.848 62.100 0.043 0.000 1.085 342 T CB 0.220 69.111 68.868 0.038 0.000 0.921 342 T HN 0.318 nan 8.240 nan 0.000 0.502 343 L N 3.086 124.391 121.223 0.136 0.000 2.385 343 L HA 0.533 4.872 4.340 -0.002 0.000 0.273 343 L C 0.015 177.111 176.870 0.376 0.000 0.990 343 L CA -0.840 54.156 54.840 0.259 0.000 0.821 343 L CB 2.188 44.456 42.059 0.350 0.000 1.279 343 L HN 0.580 nan 8.230 nan 0.000 0.412 344 T N 0.086 114.862 114.554 0.370 0.000 2.841 344 T HA 0.399 4.747 4.350 -0.002 0.000 0.283 344 T C -0.563 174.346 174.700 0.348 0.000 1.000 344 T CA -0.813 61.507 62.100 0.366 0.000 0.977 344 T CB 1.862 70.872 68.868 0.236 0.000 0.979 344 T HN 0.647 nan 8.240 nan 0.000 0.446 345 D N 0.965 121.551 120.400 0.310 0.000 2.507 345 D HA 0.275 4.914 4.640 -0.002 0.000 0.280 345 D C 1.072 177.484 176.300 0.185 0.000 1.219 345 D CA -0.788 53.317 54.000 0.175 0.000 1.085 345 D CB -0.042 40.624 40.800 -0.224 0.000 1.134 345 D HN 0.260 nan 8.370 nan 0.000 0.583 346 S N -1.446 114.312 115.700 0.098 0.000 2.481 346 S HA -0.059 4.410 4.470 -0.002 0.000 0.231 346 S C 0.710 175.323 174.600 0.022 0.000 0.996 346 S CA 0.570 58.814 58.200 0.074 0.000 0.942 346 S CB -0.674 62.515 63.200 -0.018 0.000 0.768 346 S HN 0.495 nan 8.310 nan 0.000 0.520 347 N N 0.025 118.725 118.700 0.000 0.000 2.234 347 N HA 0.344 5.083 4.740 -0.002 0.000 0.227 347 N C 0.877 176.407 175.510 0.034 0.000 1.151 347 N CA 0.267 53.318 53.050 0.002 0.000 0.865 347 N CB 1.013 39.482 38.487 -0.030 0.000 1.066 347 N HN 0.337 nan 8.380 nan 0.000 0.515 348 G N 0.440 109.282 108.800 0.069 0.000 2.179 348 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.260 348 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.260 348 G C -0.133 174.833 174.900 0.110 0.000 0.977 348 G CA -0.196 44.954 45.100 0.083 0.000 0.641 348 G HN 0.118 nan 8.290 nan 0.000 0.533 349 L N 1.735 123.047 121.223 0.149 0.000 2.416 349 L HA 0.574 4.913 4.340 -0.002 0.000 0.272 349 L C 0.900 177.935 176.870 0.275 0.000 1.161 349 L CA 0.671 55.624 54.840 0.190 0.000 0.845 349 L CB 1.185 43.394 42.059 0.251 0.000 1.119 349 L HN 0.133 nan 8.230 nan 0.000 0.464 350 T N 3.791 118.419 114.554 0.123 0.000 2.885 350 T HA 0.762 5.111 4.350 -0.002 0.000 0.285 350 T C -0.360 174.256 174.700 -0.141 0.000 1.019 350 T CA -0.826 61.318 62.100 0.074 0.000 1.010 350 T CB 1.593 70.494 68.868 0.056 0.000 1.022 350 T HN 0.303 nan 8.240 nan 0.000 0.466 351 R N 1.184 121.562 120.500 -0.203 0.000 2.626 351 R HA 0.512 4.851 4.340 -0.002 0.000 0.274 351 R C -1.578 174.643 176.300 -0.132 0.000 1.031 351 R CA -0.731 55.174 56.100 -0.326 0.000 0.898 351 R CB 1.828 31.650 30.300 -0.796 0.000 1.222 351 R HN 0.422 nan 8.270 nan 0.000 0.455 352 V N 2.166 122.021 119.914 -0.098 0.000 2.333 352 V HA 0.432 4.551 4.120 -0.002 0.000 0.274 352 V C 0.539 176.620 176.094 -0.022 0.000 1.028 352 V CA -0.800 61.478 62.300 -0.035 0.000 0.851 352 V CB 1.092 32.901 31.823 -0.024 0.000 1.000 352 V HN 0.842 nan 8.190 nan 0.000 0.456 353 A N 4.824 127.652 122.820 0.014 0.000 2.371 353 A HA 0.496 4.815 4.320 -0.002 0.000 0.257 353 A C 0.910 178.526 177.584 0.053 0.000 1.089 353 A CA -0.299 51.762 52.037 0.040 0.000 0.794 353 A CB 0.441 19.488 19.000 0.078 0.000 1.029 353 A HN 0.890 nan 8.150 nan 0.000 0.488 354 K N 0.333 120.774 120.400 0.068 0.000 2.354 354 K HA 0.117 4.436 4.320 -0.002 0.000 0.194 354 K C -0.378 176.296 176.600 0.124 0.000 1.038 354 K CA 0.626 56.961 56.287 0.079 0.000 1.052 354 K CB 0.481 33.021 32.500 0.067 0.000 0.861 354 K HN 0.811 nan 8.250 nan 0.000 0.535 355 E N 1.063 121.372 120.200 0.183 0.000 2.272 355 E HA 0.260 4.609 4.350 -0.002 0.000 0.269 355 E C -1.116 175.658 176.600 0.290 0.000 0.877 355 E CA -0.555 56.004 56.400 0.265 0.000 0.755 355 E CB 2.270 32.241 29.700 0.452 0.000 1.192 355 E HN -0.018 nan 8.360 nan 0.000 0.422 356 Q N 1.760 121.669 119.800 0.180 0.000 2.353 356 Q HA 0.534 4.873 4.340 -0.002 0.000 0.268 356 Q C -0.967 175.046 176.000 0.021 0.000 1.045 356 Q CA -0.669 55.212 55.803 0.130 0.000 0.811 356 Q CB 2.921 31.711 28.738 0.086 0.000 1.305 356 Q HN 0.515 nan 8.270 nan 0.000 0.447 357 I N 2.139 122.702 120.570 -0.012 0.000 2.377 357 I HA 0.461 4.630 4.170 -0.002 0.000 0.293 357 I C -1.159 175.010 176.117 0.088 0.000 0.987 357 I CA -0.617 60.619 61.300 -0.106 0.000 1.185 357 I CB 0.659 38.433 38.000 -0.377 0.000 1.341 357 I HN 0.575 nan 8.210 nan 0.000 0.455 358 R N 7.959 128.563 120.500 0.174 0.000 2.514 358 R HA 0.435 4.774 4.340 -0.002 0.000 0.296 358 R C -2.726 173.708 176.300 0.223 0.000 1.012 358 R CA -1.662 54.548 56.100 0.184 0.000 0.897 358 R CB 1.752 32.121 30.300 0.116 0.000 1.184 358 R HN 0.399 nan 8.270 nan 0.000 0.440 359 P HA 0.126 nan 4.420 nan 0.000 0.280 359 P C 0.240 177.561 177.300 0.036 0.000 1.244 359 P CA -0.149 62.969 63.100 0.031 0.000 0.784 359 P CB 1.000 32.601 31.700 -0.165 0.000 0.913 360 I N -0.589 119.995 120.570 0.025 0.000 4.312 360 I HA 0.383 4.552 4.170 -0.002 0.000 0.324 360 I C 0.307 176.420 176.117 -0.006 0.000 1.298 360 I CA 0.133 61.440 61.300 0.012 0.000 1.231 360 I CB 0.302 38.307 38.000 0.009 0.000 1.152 360 I HN 0.104 nan 8.210 nan 0.000 0.421 361 K N 1.205 121.590 120.400 -0.025 0.000 2.523 361 K HA 0.586 4.905 4.320 -0.002 0.000 0.257 361 K C -1.348 175.228 176.600 -0.040 0.000 0.932 361 K CA -0.503 55.770 56.287 -0.023 0.000 0.812 361 K CB 2.798 35.276 32.500 -0.036 0.000 1.326 361 K HN -0.069 nan 8.250 nan 0.000 0.433 362 T N 2.565 117.124 114.554 0.008 0.000 2.879 362 T HA 0.488 4.837 4.350 -0.002 0.000 0.290 362 T C -0.460 174.303 174.700 0.106 0.000 0.993 362 T CA -0.577 61.532 62.100 0.015 0.000 0.975 362 T CB 0.754 69.629 68.868 0.013 0.000 0.981 362 T HN 0.338 nan 8.240 nan 0.000 0.439 363 I N 3.932 124.535 120.570 0.054 0.000 2.377 363 I HA 0.547 4.716 4.170 -0.002 0.000 0.293 363 I C -0.523 175.659 176.117 0.108 0.000 0.987 363 I CA -0.900 60.436 61.300 0.060 0.000 1.185 363 I CB 1.508 39.504 38.000 -0.007 0.000 1.341 363 I HN 0.458 nan 8.210 nan 0.000 0.455 364 I N 4.717 125.392 120.570 0.175 0.000 2.478 364 I HA 0.322 4.491 4.170 -0.002 0.000 0.287 364 I C 0.850 177.043 176.117 0.127 0.000 1.042 364 I CA -0.529 60.876 61.300 0.175 0.000 1.067 364 I CB 1.874 40.026 38.000 0.254 0.000 1.233 364 I HN 0.873 nan 8.210 nan 0.000 0.431 365 G N 4.196 113.047 108.800 0.085 0.000 2.296 365 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.282 365 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.282 365 G C 1.015 175.936 174.900 0.035 0.000 1.014 365 G CA 0.802 45.939 45.100 0.062 0.000 0.812 365 G HN 1.559 nan 8.290 nan 0.000 0.508 366 G N -2.514 106.297 108.800 0.018 0.000 2.195 366 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.246 366 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.246 366 G C 0.314 175.180 174.900 -0.057 0.000 0.984 366 G CA 0.866 45.957 45.100 -0.015 0.000 0.633 366 G HN 1.057 nan 8.290 nan 0.000 0.525 367 Q N 0.225 119.980 119.800 -0.074 0.000 2.235 367 Q HA 0.655 4.994 4.340 -0.002 0.000 0.250 367 Q C 0.524 176.296 176.000 -0.381 0.000 0.909 367 Q CA -0.231 55.431 55.803 -0.235 0.000 0.910 367 Q CB 1.511 30.093 28.738 -0.260 0.000 1.223 367 Q HN 0.540 nan 8.270 nan 0.000 0.432 368 I N 2.481 122.769 120.570 -0.468 0.000 2.385 368 I HA 0.268 4.436 4.170 -0.002 0.000 0.294 368 I C -0.846 174.914 176.117 -0.594 0.000 0.988 368 I CA -0.681 60.392 61.300 -0.379 0.000 1.265 368 I CB 0.650 38.526 38.000 -0.207 0.000 1.388 368 I HN 0.397 nan 8.210 nan 0.000 0.480 369 Y N 3.468 123.751 120.300 -0.028 0.000 2.346 369 Y HA 0.280 4.830 4.550 -0.000 0.000 0.332 369 Y C -0.158 175.725 175.900 -0.029 0.000 0.985 369 Y CA -1.054 57.032 58.100 -0.024 0.000 1.112 369 Y CB 1.339 39.786 38.460 -0.021 0.000 1.170 369 Y HN 0.451 nan 8.280 nan 0.000 0.447 370 D N 3.464 123.929 120.400 0.107 0.000 2.304 370 D HA 0.224 4.862 4.640 -0.002 0.000 0.250 370 D C -0.191 176.142 176.300 0.055 0.000 1.107 370 D CA 0.761 54.793 54.000 0.053 0.000 0.885 370 D CB 0.433 41.251 40.800 0.029 0.000 1.192 370 D HN 0.901 nan 8.370 nan 0.000 0.436 371 N N 0.000 118.719 118.700 0.031 0.000 1.763 371 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 371 N CA 0.000 53.064 53.050 0.024 0.000 0.885 371 N CB 0.000 38.502 38.487 0.025 0.000 1.341 371 N HN 0.000 nan 8.380 nan 0.000 0.667