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 1wf4_1_a DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPEK 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.544 177.584 -0.066 0.000 1.274 3 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 3 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 4 K N 0.286 120.654 120.400 -0.052 0.000 2.106 4 K HA 0.689 5.009 4.320 -0.000 0.000 0.246 4 K C -0.814 175.757 176.600 -0.048 0.000 0.987 4 K CA -0.312 55.938 56.287 -0.062 0.000 0.904 4 K CB 1.992 34.463 32.500 -0.048 0.000 1.071 4 K HN 0.578 nan 8.250 nan 0.000 0.453 5 I N 1.292 121.830 120.570 -0.054 0.000 2.534 5 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 5 I C -1.514 174.585 176.117 -0.031 0.000 1.077 5 I CA -0.877 60.407 61.300 -0.027 0.000 1.051 5 I CB 1.103 39.085 38.000 -0.030 0.000 1.234 5 I HN 0.377 nan 8.210 nan 0.000 0.425 6 L N 8.205 129.432 121.223 0.007 0.000 2.283 6 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 6 L C -0.615 176.266 176.870 0.018 0.000 1.033 6 L CA -0.782 54.035 54.840 -0.039 0.000 0.848 6 L CB 1.332 43.421 42.059 0.050 0.000 1.226 6 L HN 0.348 nan 8.230 nan 0.000 0.429 7 V N 3.592 123.443 119.914 -0.104 0.000 2.439 7 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 7 V C -0.015 176.016 176.094 -0.105 0.000 1.039 7 V CA -0.221 62.086 62.300 0.011 0.000 0.913 7 V CB 1.355 33.177 31.823 -0.002 0.000 0.983 7 V HN 0.365 nan 8.190 nan 0.000 0.460 8 F N 0.745 120.696 119.950 0.002 0.000 2.629 8 F HA 0.505 5.032 4.527 0.000 0.000 0.386 8 F C 1.107 176.909 175.800 0.003 0.000 1.135 8 F CA -0.665 57.337 58.000 0.002 0.000 1.116 8 F CB 0.173 39.173 39.000 0.001 0.000 1.426 8 F HN 0.526 nan 8.300 nan 0.000 0.501 9 D N 0.366 120.917 120.400 0.252 0.000 3.470 9 D HA -0.263 4.377 4.640 -0.000 0.000 0.175 9 D C 1.541 177.889 176.300 0.080 0.000 1.216 9 D CA 1.607 55.684 54.000 0.129 0.000 0.889 9 D CB -0.052 40.810 40.800 0.104 0.000 0.506 9 D HN 0.569 nan 8.370 nan 0.000 0.500 10 E N -0.160 120.076 120.200 0.059 0.000 2.171 10 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 10 E C 1.933 178.557 176.600 0.040 0.000 0.997 10 E CA 1.437 57.861 56.400 0.041 0.000 0.810 10 E CB -0.491 29.228 29.700 0.032 0.000 0.738 10 E HN 0.462 nan 8.360 nan 0.000 0.467 11 A N 1.556 124.408 122.820 0.053 0.000 1.892 11 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 11 A C 2.458 180.066 177.584 0.040 0.000 1.188 11 A CA 2.525 54.592 52.037 0.050 0.000 0.631 11 A CB -0.717 18.325 19.000 0.069 0.000 0.822 11 A HN 0.310 nan 8.150 nan 0.000 0.447 12 A N -0.277 122.568 122.820 0.042 0.000 1.845 12 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 12 A C 2.229 179.820 177.584 0.011 0.000 1.195 12 A CA 1.555 53.601 52.037 0.015 0.000 0.616 12 A CB -0.564 18.433 19.000 -0.006 0.000 0.832 12 A HN 0.558 nan 8.150 nan 0.000 0.443 13 R N -0.991 119.519 120.500 0.016 0.000 2.103 13 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 13 R C 2.343 178.650 176.300 0.012 0.000 1.142 13 R CA 1.447 57.554 56.100 0.012 0.000 0.960 13 R CB -0.380 29.930 30.300 0.016 0.000 0.858 13 R HN 0.304 nan 8.270 nan 0.000 0.439 14 R N 0.645 121.154 120.500 0.015 0.000 2.081 14 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 14 R C 2.261 178.567 176.300 0.011 0.000 1.131 14 R CA 1.613 57.721 56.100 0.013 0.000 0.960 14 R CB -1.071 29.238 30.300 0.015 0.000 0.856 14 R HN 0.290 nan 8.270 nan 0.000 0.436 15 A N 1.404 124.232 122.820 0.013 0.000 1.865 15 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 15 A C 2.455 180.043 177.584 0.007 0.000 1.191 15 A CA 1.377 53.421 52.037 0.012 0.000 0.623 15 A CB -0.767 18.242 19.000 0.015 0.000 0.826 15 A HN 0.203 nan 8.150 nan 0.000 0.444 16 L N -0.900 120.326 121.223 0.005 0.000 1.990 16 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 16 L C 2.750 179.621 176.870 0.002 0.000 1.072 16 L CA 2.181 57.022 54.840 0.002 0.000 0.755 16 L CB -0.685 41.374 42.059 -0.000 0.000 0.889 16 L HN 0.661 nan 8.230 nan 0.000 0.432 17 E N 0.242 120.444 120.200 0.003 0.000 2.097 17 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 17 E C 2.320 178.921 176.600 0.002 0.000 1.000 17 E CA 1.382 57.784 56.400 0.003 0.000 0.804 17 E CB 0.035 29.738 29.700 0.005 0.000 0.740 17 E HN 0.315 nan 8.360 nan 0.000 0.454 18 R N -0.518 119.983 120.500 0.002 0.000 2.083 18 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 18 R C 2.519 178.817 176.300 -0.002 0.000 1.137 18 R CA 1.327 57.428 56.100 0.001 0.000 0.951 18 R CB -0.565 29.736 30.300 0.002 0.000 0.851 18 R HN 0.321 nan 8.270 nan 0.000 0.434 19 G N 0.218 109.016 108.800 -0.003 0.000 2.421 19 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 19 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 19 G C 1.465 176.362 174.900 -0.005 0.000 1.171 19 G CA 0.892 45.989 45.100 -0.006 0.000 0.775 19 G HN 0.145 nan 8.290 nan 0.000 0.543 20 V N 1.834 121.746 119.914 -0.003 0.000 2.252 20 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 20 V C 2.670 178.762 176.094 -0.002 0.000 1.056 20 V CA 2.069 64.368 62.300 -0.002 0.000 1.022 20 V CB -0.526 31.297 31.823 -0.001 0.000 0.641 20 V HN 0.373 nan 8.190 nan 0.000 0.445 21 N N 0.203 118.902 118.700 -0.002 0.000 2.188 21 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 21 N C 1.947 177.455 175.510 -0.004 0.000 1.018 21 N CA 1.541 54.590 53.050 -0.002 0.000 0.858 21 N CB -0.408 38.078 38.487 -0.000 0.000 0.989 21 N HN 0.514 nan 8.380 nan 0.000 0.426 22 A N 1.269 124.086 122.820 -0.005 0.000 1.869 22 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 22 A C 2.580 180.159 177.584 -0.009 0.000 1.203 22 A CA 1.918 53.950 52.037 -0.008 0.000 0.638 22 A CB -1.005 17.988 19.000 -0.011 0.000 0.831 22 A HN 0.104 nan 8.150 nan 0.000 0.450 23 V N -0.288 119.621 119.914 -0.009 0.000 2.244 23 V HA -0.217 3.903 4.120 -0.000 0.000 0.244 23 V C 3.095 179.185 176.094 -0.006 0.000 1.042 23 V CA 2.027 64.321 62.300 -0.009 0.000 1.006 23 V CB -1.452 30.366 31.823 -0.008 0.000 0.641 23 V HN 0.664 nan 8.190 nan 0.000 0.446 24 A N 0.725 123.542 122.820 -0.004 0.000 1.927 24 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 24 A C 1.986 179.569 177.584 -0.002 0.000 1.185 24 A CA 2.378 54.413 52.037 -0.002 0.000 0.639 24 A CB -0.739 18.261 19.000 -0.001 0.000 0.820 24 A HN 0.641 nan 8.150 nan 0.000 0.451 25 N N -0.117 118.582 118.700 -0.003 0.000 2.409 25 N HA 0.035 4.775 4.740 -0.000 0.000 0.179 25 N C 1.696 177.203 175.510 -0.004 0.000 1.032 25 N CA 1.181 54.230 53.050 -0.002 0.000 0.898 25 N CB -0.381 38.105 38.487 -0.002 0.000 0.971 25 N HN 0.517 nan 8.380 nan 0.000 0.441 26 A N 0.524 123.340 122.820 -0.006 0.000 1.930 26 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 26 A C 2.406 179.986 177.584 -0.008 0.000 1.176 26 A CA 0.692 52.724 52.037 -0.008 0.000 0.632 26 A CB -0.399 18.595 19.000 -0.011 0.000 0.819 26 A HN 0.050 nan 8.150 nan 0.000 0.445 27 V N 1.530 121.440 119.914 -0.007 0.000 2.221 27 V HA -0.290 3.830 4.120 -0.000 0.000 0.242 27 V C 2.481 178.574 176.094 -0.003 0.000 1.041 27 V CA 2.303 64.599 62.300 -0.006 0.000 0.995 27 V CB -0.905 30.916 31.823 -0.004 0.000 0.635 27 V HN 0.838 nan 8.190 nan 0.000 0.448 28 K N 0.703 121.103 120.400 -0.001 0.000 2.374 28 K HA -0.209 4.111 4.320 -0.000 0.000 0.202 28 K C 1.667 178.269 176.600 0.003 0.000 1.044 28 K CA 1.915 58.203 56.287 0.002 0.000 0.933 28 K CB -0.951 31.552 32.500 0.004 0.000 0.745 28 K HN 0.348 nan 8.250 nan 0.000 0.474 29 V N 2.112 122.026 119.914 0.001 0.000 2.867 29 V HA -0.223 3.897 4.120 -0.000 0.000 0.260 29 V C 2.526 178.620 176.094 0.002 0.000 1.099 29 V CA 2.093 64.394 62.300 0.002 0.000 1.122 29 V CB -0.860 30.962 31.823 -0.001 0.000 0.708 29 V HN 0.788 nan 8.190 nan 0.000 0.490 30 T N -2.850 111.703 114.554 -0.000 0.000 3.039 30 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 30 T C 0.797 175.496 174.700 -0.001 0.000 1.052 30 T CA -0.230 61.869 62.100 -0.002 0.000 1.125 30 T CB -0.189 68.677 68.868 -0.004 0.000 0.908 30 T HN 0.186 nan 8.240 nan 0.000 0.473 31 L N 3.044 124.267 121.223 0.000 0.000 2.667 31 L HA 0.346 4.686 4.340 -0.000 0.000 0.296 31 L C 0.970 177.837 176.870 -0.004 0.000 1.252 31 L CA 1.822 56.661 54.840 -0.001 0.000 0.891 31 L CB -1.024 41.036 42.059 0.002 0.000 1.141 31 L HN 0.909 nan 8.230 nan 0.000 0.501 32 G N 3.859 112.651 108.800 -0.014 0.000 2.828 32 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.463 32 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.463 32 G C -1.859 173.023 174.900 -0.029 0.000 1.394 32 G CA -0.255 44.830 45.100 -0.025 0.000 0.862 32 G HN 0.669 nan 8.290 nan 0.000 0.540 33 P HA -0.048 nan 4.420 nan 0.000 0.219 33 P C 1.334 178.617 177.300 -0.029 0.000 1.150 33 P CA 1.043 64.114 63.100 -0.049 0.000 0.814 33 P CB 0.118 31.771 31.700 -0.079 0.000 0.787 34 R N -0.033 120.460 120.500 -0.012 0.000 2.317 34 R HA 0.226 4.566 4.340 -0.000 0.000 0.208 34 R C 1.364 177.671 176.300 0.011 0.000 0.914 34 R CA -0.045 56.061 56.100 0.010 0.000 1.060 34 R CB -0.915 29.412 30.300 0.045 0.000 1.015 34 R HN 0.153 nan 8.270 nan 0.000 0.498 35 G N 1.284 110.086 108.800 0.003 0.000 2.562 35 G HA2 0.071 4.031 3.960 -0.000 0.000 0.233 35 G HA3 0.071 4.031 3.960 -0.000 0.000 0.233 35 G C -0.131 174.769 174.900 0.000 0.000 1.266 35 G CA -0.205 44.897 45.100 0.003 0.000 0.852 35 G HN 0.166 nan 8.290 nan 0.000 0.581 36 R N 0.174 120.674 120.500 0.001 0.000 2.875 36 R HA 0.367 4.707 4.340 -0.000 0.000 0.251 36 R C -0.157 176.140 176.300 -0.006 0.000 1.123 36 R CA -0.923 55.175 56.100 -0.002 0.000 1.064 36 R CB 0.938 31.238 30.300 -0.000 0.000 1.205 36 R HN 0.525 nan 8.270 nan 0.000 0.503 37 N N -0.254 118.441 118.700 -0.008 0.000 2.492 37 N HA 0.299 5.039 4.740 -0.000 0.000 0.289 37 N C -0.883 174.620 175.510 -0.013 0.000 1.133 37 N CA -0.425 52.618 53.050 -0.011 0.000 0.961 37 N CB 1.573 40.053 38.487 -0.012 0.000 1.186 37 N HN 0.086 nan 8.380 nan 0.000 0.493 38 V N 1.026 120.929 119.914 -0.017 0.000 2.612 38 V HA 0.347 4.467 4.120 -0.000 0.000 0.301 38 V C 0.105 176.186 176.094 -0.021 0.000 1.046 38 V CA -0.786 61.504 62.300 -0.018 0.000 0.946 38 V CB 1.998 33.809 31.823 -0.021 0.000 1.003 38 V HN 0.310 nan 8.190 nan 0.000 0.459 39 V N 5.724 125.627 119.914 -0.019 0.000 2.334 39 V HA 0.399 4.519 4.120 -0.000 0.000 0.281 39 V C -0.213 175.869 176.094 -0.021 0.000 1.016 39 V CA -0.368 61.921 62.300 -0.019 0.000 0.832 39 V CB 1.239 33.053 31.823 -0.015 0.000 0.999 39 V HN 0.585 nan 8.190 nan 0.000 0.439 40 L N 4.429 125.638 121.223 -0.023 0.000 2.264 40 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 40 L C 0.568 177.427 176.870 -0.019 0.000 1.044 40 L CA -0.258 54.568 54.840 -0.023 0.000 0.807 40 L CB 1.224 43.266 42.059 -0.028 0.000 1.192 40 L HN 0.649 nan 8.230 nan 0.000 0.425 41 E N 4.170 124.358 120.200 -0.020 0.000 2.344 41 E HA 0.105 4.455 4.350 -0.000 0.000 0.270 41 E C -0.811 175.779 176.600 -0.017 0.000 1.021 41 E CA -0.500 55.887 56.400 -0.021 0.000 0.887 41 E CB 0.731 30.413 29.700 -0.029 0.000 0.997 41 E HN 0.295 nan 8.360 nan 0.000 0.429 42 K N 3.638 124.033 120.400 -0.008 0.000 2.156 42 K HA 0.188 4.508 4.320 -0.000 0.000 0.254 42 K C 0.682 177.280 176.600 -0.003 0.000 0.950 42 K CA -0.541 55.753 56.287 0.012 0.000 0.849 42 K CB 1.360 33.882 32.500 0.038 0.000 1.100 42 K HN 0.474 nan 8.250 nan 0.000 0.434 43 K N 0.869 121.277 120.400 0.012 0.000 2.127 43 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 43 K C 1.032 177.433 176.600 -0.332 0.000 1.047 43 K CA 1.870 58.086 56.287 -0.119 0.000 0.927 43 K CB -0.073 32.441 32.500 0.023 0.000 0.716 43 K HN 0.354 nan 8.250 nan 0.000 0.450 44 F N -0.824 119.120 119.950 -0.010 0.000 2.463 44 F HA 0.214 4.741 4.527 -0.000 0.000 0.271 44 F C 1.795 177.590 175.800 -0.009 0.000 0.888 44 F CA -0.068 57.926 58.000 -0.009 0.000 1.149 44 F CB -0.755 38.240 39.000 -0.008 0.000 1.071 44 F HN -0.037 nan 8.300 nan 0.000 0.802 45 G N 0.328 109.250 108.800 0.204 0.000 2.468 45 G HA2 0.305 4.265 3.960 -0.000 0.000 0.264 45 G HA3 0.305 4.265 3.960 -0.000 0.000 0.264 45 G C 0.196 175.130 174.900 0.057 0.000 1.460 45 G CA 0.195 45.357 45.100 0.103 0.000 1.060 45 G HN 0.333 nan 8.290 nan 0.000 0.543 46 S N 0.604 116.326 115.700 0.037 0.000 2.608 46 S HA 0.443 4.913 4.470 -0.000 0.000 0.261 46 S C -1.708 172.901 174.600 0.016 0.000 1.314 46 S CA -0.611 57.601 58.200 0.020 0.000 0.992 46 S CB 1.364 64.573 63.200 0.014 0.000 0.935 46 S HN 0.561 nan 8.310 nan 0.000 0.564 47 P HA 0.307 nan 4.420 nan 0.000 0.293 47 P C -0.742 176.556 177.300 -0.004 0.000 1.304 47 P CA -0.455 62.644 63.100 -0.001 0.000 0.767 47 P CB 0.238 31.933 31.700 -0.008 0.000 1.247 48 T N 0.716 115.263 114.554 -0.012 0.000 2.771 48 T HA 0.488 4.838 4.350 -0.000 0.000 0.281 48 T C 0.149 174.833 174.700 -0.026 0.000 0.982 48 T CA -0.238 61.849 62.100 -0.021 0.000 0.978 48 T CB -0.116 68.732 68.868 -0.033 0.000 0.930 48 T HN 0.180 nan 8.240 nan 0.000 0.447 49 I N 4.214 124.769 120.570 -0.025 0.000 2.388 49 I HA 0.277 4.447 4.170 -0.000 0.000 0.281 49 I C 0.493 176.590 176.117 -0.033 0.000 1.046 49 I CA -0.427 60.859 61.300 -0.024 0.000 1.187 49 I CB 0.852 38.843 38.000 -0.014 0.000 1.351 49 I HN 0.580 nan 8.210 nan 0.000 0.472 50 T N 3.709 118.235 114.554 -0.046 0.000 2.870 50 T HA 0.385 4.735 4.350 -0.000 0.000 0.277 50 T C 0.553 175.231 174.700 -0.037 0.000 1.000 50 T CA -0.745 61.318 62.100 -0.062 0.000 0.982 50 T CB 2.297 71.099 68.868 -0.110 0.000 1.249 50 T HN 0.541 nan 8.240 nan 0.000 0.589 51 K N 0.040 120.421 120.400 -0.030 0.000 2.586 51 K HA 0.120 4.440 4.320 -0.000 0.000 0.198 51 K C -0.750 175.850 176.600 -0.001 0.000 1.170 51 K CA -0.115 56.165 56.287 -0.010 0.000 1.069 51 K CB 0.679 33.179 32.500 0.000 0.000 0.944 51 K HN 0.574 nan 8.250 nan 0.000 0.572 52 D N 0.053 120.439 120.400 -0.023 0.000 2.274 52 D HA 0.132 4.772 4.640 -0.000 0.000 0.239 52 D C 0.864 177.157 176.300 -0.011 0.000 1.104 52 D CA 0.079 54.078 54.000 -0.002 0.000 0.840 52 D CB 1.685 42.454 40.800 -0.052 0.000 1.100 52 D HN 0.332 nan 8.370 nan 0.000 0.477 53 G N 3.150 111.956 108.800 0.010 0.000 2.838 53 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 53 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 53 G C 1.703 176.601 174.900 -0.003 0.000 1.327 53 G CA 2.227 47.328 45.100 0.003 0.000 0.802 53 G HN 0.549 nan 8.290 nan 0.000 0.658 54 V N -0.675 119.243 119.914 0.007 0.000 2.363 54 V HA -0.263 3.857 4.120 -0.000 0.000 0.254 54 V C 2.730 178.816 176.094 -0.013 0.000 1.074 54 V CA 2.944 65.245 62.300 0.002 0.000 1.069 54 V CB -1.809 30.023 31.823 0.016 0.000 0.659 54 V HN 0.410 nan 8.190 nan 0.000 0.455 55 T N 0.453 114.988 114.554 -0.031 0.000 2.684 55 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 55 T C 1.969 176.643 174.700 -0.044 0.000 1.036 55 T CA 1.945 64.010 62.100 -0.058 0.000 1.148 55 T CB -0.417 68.377 68.868 -0.123 0.000 0.863 55 T HN 0.389 nan 8.240 nan 0.000 0.436 56 V N 1.736 121.626 119.914 -0.039 0.000 2.244 56 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 56 V C 2.946 179.027 176.094 -0.022 0.000 1.042 56 V CA 1.690 63.972 62.300 -0.030 0.000 1.006 56 V CB -1.370 30.438 31.823 -0.025 0.000 0.641 56 V HN 0.541 nan 8.190 nan 0.000 0.446 57 A N -0.216 122.594 122.820 -0.016 0.000 1.915 57 A HA -0.348 3.972 4.320 -0.000 0.000 0.220 57 A C 2.244 179.820 177.584 -0.013 0.000 1.198 57 A CA 2.543 54.573 52.037 -0.012 0.000 0.647 57 A CB -0.614 18.381 19.000 -0.008 0.000 0.825 57 A HN 0.581 nan 8.150 nan 0.000 0.456 58 K N -0.832 119.560 120.400 -0.014 0.000 2.209 58 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 58 K C 1.618 178.209 176.600 -0.015 0.000 1.048 58 K CA 1.153 57.432 56.287 -0.013 0.000 0.940 58 K CB -0.053 32.440 32.500 -0.011 0.000 0.729 58 K HN 0.437 nan 8.250 nan 0.000 0.451 59 E N 0.558 120.748 120.200 -0.018 0.000 2.358 59 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 59 E C 0.165 176.753 176.600 -0.020 0.000 1.010 59 E CA 0.275 56.664 56.400 -0.019 0.000 0.856 59 E CB 0.164 29.851 29.700 -0.022 0.000 0.795 59 E HN -0.026 nan 8.360 nan 0.000 0.504 60 V N 2.299 122.201 119.914 -0.019 0.000 2.479 60 V HA 0.046 4.166 4.120 -0.000 0.000 0.281 60 V C 0.082 176.162 176.094 -0.023 0.000 1.031 60 V CA 0.168 62.455 62.300 -0.021 0.000 1.038 60 V CB 0.804 32.616 31.823 -0.018 0.000 0.981 60 V HN 0.013 nan 8.190 nan 0.000 0.478 61 E N 4.645 124.828 120.200 -0.028 0.000 2.265 61 E HA 0.516 4.866 4.350 -0.000 0.000 0.262 61 E C -1.182 175.391 176.600 -0.045 0.000 0.889 61 E CA -0.384 55.995 56.400 -0.036 0.000 0.789 61 E CB 1.249 30.927 29.700 -0.036 0.000 1.221 61 E HN 0.590 nan 8.360 nan 0.000 0.414 62 L N 3.649 124.841 121.223 -0.052 0.000 2.357 62 L HA 0.404 4.744 4.340 -0.000 0.000 0.273 62 L C 1.539 178.353 176.870 -0.093 0.000 1.080 62 L CA -0.341 54.463 54.840 -0.059 0.000 0.803 62 L CB 1.396 43.426 42.059 -0.048 0.000 1.174 62 L HN 0.729 nan 8.230 nan 0.000 0.443 63 E N 1.004 121.152 120.200 -0.086 0.000 2.152 63 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 63 E C 0.150 176.653 176.600 -0.161 0.000 0.983 63 E CA 0.531 56.863 56.400 -0.114 0.000 0.818 63 E CB 0.334 29.992 29.700 -0.071 0.000 0.758 63 E HN 0.689 nan 8.360 nan 0.000 0.467 64 D N -0.452 119.884 120.400 -0.106 0.000 2.317 64 D HA -0.021 4.619 4.640 -0.000 0.000 0.252 64 D C 0.956 177.200 176.300 -0.093 0.000 1.174 64 D CA 0.024 53.979 54.000 -0.076 0.000 0.866 64 D CB 0.600 41.391 40.800 -0.016 0.000 1.127 64 D HN 0.118 nan 8.370 nan 0.000 0.467 65 H N 3.503 122.569 119.070 -0.007 0.000 2.255 65 H HA -0.197 4.359 4.556 -0.000 0.000 0.290 65 H C 1.821 177.142 175.328 -0.012 0.000 1.087 65 H CA 1.628 57.670 56.048 -0.010 0.000 1.213 65 H CB -0.120 29.636 29.762 -0.011 0.000 1.349 65 H HN 0.493 nan 8.280 nan 0.000 0.487 66 L N 0.531 121.823 121.223 0.115 0.000 2.012 66 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 66 L C 2.563 179.448 176.870 0.024 0.000 1.073 66 L CA 1.375 56.246 54.840 0.052 0.000 0.748 66 L CB -0.575 41.506 42.059 0.036 0.000 0.891 66 L HN 0.312 nan 8.230 nan 0.000 0.431 67 E N 0.020 120.228 120.200 0.014 0.000 2.160 67 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 67 E C 1.869 178.463 176.600 -0.009 0.000 0.991 67 E CA 1.343 57.742 56.400 -0.001 0.000 0.810 67 E CB -0.093 29.603 29.700 -0.007 0.000 0.742 67 E HN 0.399 nan 8.360 nan 0.000 0.466 68 N N 0.822 119.512 118.700 -0.018 0.000 2.171 68 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 68 N C 1.652 177.157 175.510 -0.009 0.000 1.021 68 N CA 0.820 53.854 53.050 -0.027 0.000 0.854 68 N CB -0.020 38.432 38.487 -0.058 0.000 0.994 68 N HN 0.078 nan 8.380 nan 0.000 0.426 69 I N -0.161 120.413 120.570 0.006 0.000 2.248 69 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 69 I C 2.250 178.368 176.117 0.001 0.000 1.107 69 I CA 1.386 62.691 61.300 0.009 0.000 1.373 69 I CB -0.715 37.293 38.000 0.013 0.000 1.055 69 I HN 0.295 nan 8.210 nan 0.000 0.418 70 G N 0.355 109.155 108.800 -0.000 0.000 2.402 70 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 70 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 70 G C 1.884 176.782 174.900 -0.004 0.000 1.162 70 G CA 0.723 45.821 45.100 -0.002 0.000 0.777 70 G HN 0.487 nan 8.290 nan 0.000 0.539 71 A N 0.084 122.899 122.820 -0.007 0.000 1.940 71 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 71 A C 2.417 179.997 177.584 -0.008 0.000 1.176 71 A CA 2.003 54.034 52.037 -0.009 0.000 0.631 71 A CB -0.312 18.679 19.000 -0.015 0.000 0.814 71 A HN 0.351 nan 8.150 nan 0.000 0.446 72 Q N -0.188 119.608 119.800 -0.006 0.000 1.990 72 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 72 Q C 2.265 178.263 176.000 -0.003 0.000 0.980 72 Q CA 1.359 57.159 55.803 -0.005 0.000 0.832 72 Q CB -0.736 28.000 28.738 -0.002 0.000 0.897 72 Q HN 0.706 nan 8.270 nan 0.000 0.427 73 L N 0.511 121.732 121.223 -0.002 0.000 2.103 73 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 73 L C 2.478 179.348 176.870 -0.001 0.000 1.080 73 L CA 0.978 55.817 54.840 -0.002 0.000 0.764 73 L CB -0.612 41.446 42.059 -0.002 0.000 0.890 73 L HN 0.180 nan 8.230 nan 0.000 0.435 74 L N -0.379 120.843 121.223 -0.002 0.000 2.072 74 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 74 L C 2.525 179.394 176.870 -0.001 0.000 1.079 74 L CA 1.672 56.511 54.840 -0.002 0.000 0.752 74 L CB -0.405 41.653 42.059 -0.002 0.000 0.906 74 L HN 0.061 nan 8.230 nan 0.000 0.436 75 K N -0.480 119.918 120.400 -0.003 0.000 2.103 75 K HA -0.275 4.045 4.320 -0.000 0.000 0.207 75 K C 2.048 178.648 176.600 -0.000 0.000 1.048 75 K CA 1.859 58.144 56.287 -0.003 0.000 0.930 75 K CB -0.159 32.339 32.500 -0.004 0.000 0.716 75 K HN 0.474 nan 8.250 nan 0.000 0.444 76 E N 0.669 120.869 120.200 -0.000 0.000 2.058 76 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 76 E C 1.898 178.499 176.600 0.003 0.000 0.997 76 E CA 1.330 57.731 56.400 0.001 0.000 0.801 76 E CB 0.096 29.796 29.700 0.001 0.000 0.746 76 E HN 0.018 nan 8.360 nan 0.000 0.450 77 V N 1.231 121.147 119.914 0.002 0.000 2.324 77 V HA -0.335 3.785 4.120 -0.000 0.000 0.250 77 V C 2.424 178.520 176.094 0.004 0.000 1.060 77 V CA 1.968 64.270 62.300 0.003 0.000 1.042 77 V CB -0.910 30.914 31.823 0.002 0.000 0.650 77 V HN 0.490 nan 8.190 nan 0.000 0.450 78 A N 0.644 123.467 122.820 0.004 0.000 1.845 78 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 78 A C 2.593 180.183 177.584 0.009 0.000 1.195 78 A CA 2.739 54.779 52.037 0.006 0.000 0.616 78 A CB -1.001 18.002 19.000 0.004 0.000 0.832 78 A HN 0.689 nan 8.150 nan 0.000 0.443 79 S N 0.039 115.743 115.700 0.008 0.000 2.348 79 S HA -0.229 4.240 4.470 -0.000 0.000 0.221 79 S C 1.916 176.523 174.600 0.010 0.000 1.033 79 S CA 1.850 60.056 58.200 0.010 0.000 1.010 79 S CB -0.479 62.726 63.200 0.007 0.000 0.891 79 S HN 0.419 nan 8.310 nan 0.000 0.442 80 K N 1.412 121.817 120.400 0.008 0.000 2.286 80 K HA -0.045 4.275 4.320 -0.000 0.000 0.203 80 K C 1.894 178.499 176.600 0.009 0.000 1.045 80 K CA 1.968 58.260 56.287 0.008 0.000 0.935 80 K CB -1.114 31.390 32.500 0.006 0.000 0.737 80 K HN 0.536 nan 8.250 nan 0.000 0.460 81 T N -0.301 114.258 114.554 0.009 0.000 2.978 81 T HA -0.026 4.324 4.350 -0.000 0.000 0.262 81 T C 1.449 176.157 174.700 0.012 0.000 1.063 81 T CA 1.147 63.252 62.100 0.009 0.000 1.140 81 T CB -0.302 68.571 68.868 0.008 0.000 0.886 81 T HN 0.377 nan 8.240 nan 0.000 0.470 82 N N 1.344 120.054 118.700 0.016 0.000 2.270 82 N HA -0.098 4.642 4.740 -0.000 0.000 0.181 82 N C 1.344 176.866 175.510 0.019 0.000 1.016 82 N CA 1.137 54.200 53.050 0.022 0.000 0.870 82 N CB -0.109 38.395 38.487 0.029 0.000 0.979 82 N HN 0.168 nan 8.380 nan 0.000 0.431 83 D N -0.584 119.826 120.400 0.016 0.000 2.097 83 D HA -0.064 4.576 4.640 -0.000 0.000 0.197 83 D C 1.782 178.090 176.300 0.014 0.000 0.984 83 D CA 0.853 54.862 54.000 0.016 0.000 0.826 83 D CB -0.329 40.479 40.800 0.014 0.000 0.973 83 D HN 0.091 nan 8.370 nan 0.000 0.460 84 V N 0.065 119.986 119.914 0.012 0.000 3.041 84 V HA 0.067 4.187 4.120 -0.000 0.000 0.260 84 V C 1.687 177.786 176.094 0.008 0.000 1.105 84 V CA 1.495 63.801 62.300 0.010 0.000 1.125 84 V CB 0.052 31.880 31.823 0.008 0.000 0.730 84 V HN 0.265 nan 8.190 nan 0.000 0.479 85 A N -2.036 120.788 122.820 0.008 0.000 2.533 85 A HA 0.505 4.825 4.320 -0.000 0.000 0.180 85 A C 1.737 179.323 177.584 0.003 0.000 1.566 85 A CA 0.957 52.996 52.037 0.004 0.000 1.153 85 A CB 0.367 19.369 19.000 0.003 0.000 1.462 85 A HN 1.032 nan 8.150 nan 0.000 0.523 86 G N -0.436 108.368 108.800 0.008 0.000 2.220 86 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.269 86 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.269 86 G C -0.028 174.874 174.900 0.004 0.000 0.977 86 G CA 1.090 46.194 45.100 0.007 0.000 0.634 86 G HN 0.978 nan 8.290 nan 0.000 0.539 87 D N -2.335 118.067 120.400 0.004 0.000 2.583 87 D HA 0.585 5.225 4.640 -0.000 0.000 0.248 87 D C 0.749 177.052 176.300 0.005 0.000 1.209 87 D CA 0.993 54.995 54.000 0.003 0.000 0.848 87 D CB 0.738 41.532 40.800 -0.011 0.000 1.431 87 D HN 1.356 nan 8.370 nan 0.000 0.436 88 G N 0.635 109.438 108.800 0.005 0.000 2.149 88 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.235 88 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.235 88 G C 0.875 175.779 174.900 0.007 0.000 1.018 88 G CA 1.077 46.178 45.100 0.003 0.000 0.728 88 G HN 0.717 nan 8.290 nan 0.000 0.508 89 T N -2.682 111.880 114.554 0.013 0.000 2.770 89 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 89 T C 2.277 176.982 174.700 0.008 0.000 1.039 89 T CA 2.280 64.388 62.100 0.013 0.000 1.142 89 T CB -0.549 68.331 68.868 0.020 0.000 0.868 89 T HN 0.290 nan 8.240 nan 0.000 0.435 90 T N 2.238 116.797 114.554 0.008 0.000 2.684 90 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 90 T C 2.260 176.962 174.700 0.003 0.000 1.036 90 T CA 1.967 64.070 62.100 0.004 0.000 1.148 90 T CB -1.109 67.761 68.868 0.003 0.000 0.863 90 T HN 0.480 nan 8.240 nan 0.000 0.436 91 T N 1.861 116.416 114.554 0.002 0.000 2.737 91 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 91 T C 2.314 177.015 174.700 0.002 0.000 1.040 91 T CA 1.271 63.371 62.100 0.000 0.000 1.142 91 T CB -0.518 68.349 68.868 -0.002 0.000 0.861 91 T HN 0.463 nan 8.240 nan 0.000 0.456 92 A N 1.082 123.904 122.820 0.003 0.000 1.930 92 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 92 A C 2.529 180.114 177.584 0.003 0.000 1.175 92 A CA 1.868 53.907 52.037 0.003 0.000 0.627 92 A CB -1.044 17.958 19.000 0.004 0.000 0.815 92 A HN 0.496 nan 8.150 nan 0.000 0.443 93 T N -0.042 114.513 114.554 0.003 0.000 2.614 93 T HA -0.153 4.197 4.350 -0.000 0.000 0.263 93 T C 1.890 176.591 174.700 0.002 0.000 1.055 93 T CA 1.700 63.801 62.100 0.002 0.000 1.162 93 T CB -0.783 68.086 68.868 0.001 0.000 0.863 93 T HN 0.121 nan 8.240 nan 0.000 0.414 94 V N 1.880 121.795 119.914 0.002 0.000 2.233 94 V HA -0.231 3.889 4.120 -0.000 0.000 0.252 94 V C 2.595 178.691 176.094 0.003 0.000 1.063 94 V CA 1.864 64.166 62.300 0.003 0.000 1.032 94 V CB -0.889 30.936 31.823 0.003 0.000 0.645 94 V HN 0.425 nan 8.190 nan 0.000 0.446 95 L N -0.319 120.906 121.223 0.003 0.000 2.187 95 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 95 L C 2.587 179.459 176.870 0.004 0.000 1.100 95 L CA 1.472 56.314 54.840 0.004 0.000 0.765 95 L CB -0.714 41.347 42.059 0.004 0.000 0.904 95 L HN 0.402 nan 8.230 nan 0.000 0.437 96 A N -0.666 122.156 122.820 0.003 0.000 1.872 96 A HA -0.237 4.083 4.320 -0.000 0.000 0.214 96 A C 2.254 179.840 177.584 0.003 0.000 1.187 96 A CA 1.455 53.494 52.037 0.003 0.000 0.614 96 A CB -0.506 18.495 19.000 0.002 0.000 0.826 96 A HN 0.436 nan 8.150 nan 0.000 0.442 97 Q N -0.325 119.477 119.800 0.003 0.000 2.014 97 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 97 Q C 2.225 178.228 176.000 0.004 0.000 0.993 97 Q CA 2.119 57.924 55.803 0.003 0.000 0.850 97 Q CB -0.421 28.318 28.738 0.003 0.000 0.916 97 Q HN 0.583 nan 8.270 nan 0.000 0.417 98 A N 0.908 123.730 122.820 0.004 0.000 1.884 98 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 98 A C 2.039 179.626 177.584 0.005 0.000 1.197 98 A CA 1.911 53.951 52.037 0.005 0.000 0.637 98 A CB -0.983 18.020 19.000 0.005 0.000 0.827 98 A HN 0.554 nan 8.150 nan 0.000 0.450 99 I N -0.456 120.117 120.570 0.005 0.000 2.286 99 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 99 I C 2.312 178.432 176.117 0.005 0.000 1.115 99 I CA 1.142 62.445 61.300 0.005 0.000 1.392 99 I CB -0.345 37.658 38.000 0.005 0.000 1.065 99 I HN 0.179 nan 8.210 nan 0.000 0.418 100 V N 1.870 121.786 119.914 0.004 0.000 2.307 100 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 100 V C 2.647 178.744 176.094 0.005 0.000 1.045 100 V CA 2.247 64.550 62.300 0.004 0.000 1.024 100 V CB -0.886 30.939 31.823 0.003 0.000 0.651 100 V HN 0.524 nan 8.190 nan 0.000 0.449 101 R N 1.014 121.517 120.500 0.005 0.000 2.064 101 R HA -0.190 4.150 4.340 -0.000 0.000 0.228 101 R C 2.159 178.462 176.300 0.006 0.000 1.144 101 R CA 1.912 58.015 56.100 0.005 0.000 0.932 101 R CB -0.842 29.461 30.300 0.005 0.000 0.833 101 R HN 0.396 nan 8.270 nan 0.000 0.429 102 E N 0.971 121.174 120.200 0.006 0.000 2.187 102 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 102 E C 1.867 178.471 176.600 0.006 0.000 1.004 102 E CA 1.968 58.372 56.400 0.006 0.000 0.813 102 E CB -0.590 29.114 29.700 0.006 0.000 0.736 102 E HN 0.587 nan 8.360 nan 0.000 0.468 103 G N -0.116 108.687 108.800 0.006 0.000 2.408 103 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.213 103 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.213 103 G C 1.590 176.494 174.900 0.007 0.000 1.177 103 G CA 0.466 45.570 45.100 0.007 0.000 0.802 103 G HN 0.293 nan 8.290 nan 0.000 0.533 104 L N 0.371 121.598 121.223 0.007 0.000 2.127 104 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 104 L C 2.823 179.699 176.870 0.009 0.000 1.089 104 L CA 1.370 56.215 54.840 0.009 0.000 0.757 104 L CB -0.263 41.801 42.059 0.008 0.000 0.899 104 L HN 0.244 nan 8.230 nan 0.000 0.434 105 K N 0.438 120.843 120.400 0.008 0.000 1.991 105 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 105 K C 1.852 178.457 176.600 0.008 0.000 1.049 105 K CA 1.818 58.109 56.287 0.008 0.000 0.932 105 K CB -0.101 32.404 32.500 0.007 0.000 0.717 105 K HN 0.317 nan 8.250 nan 0.000 0.441 106 N N 0.641 119.346 118.700 0.008 0.000 2.272 106 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 106 N C 1.808 177.323 175.510 0.009 0.000 1.014 106 N CA 1.195 54.250 53.050 0.008 0.000 0.870 106 N CB -0.168 38.324 38.487 0.007 0.000 0.975 106 N HN 0.088 nan 8.380 nan 0.000 0.433 107 V N 1.352 121.272 119.914 0.010 0.000 2.379 107 V HA -0.106 4.014 4.120 -0.000 0.000 0.245 107 V C 2.486 178.587 176.094 0.013 0.000 1.044 107 V CA 1.555 63.862 62.300 0.012 0.000 1.036 107 V CB -0.852 30.979 31.823 0.013 0.000 0.664 107 V HN 0.248 nan 8.190 nan 0.000 0.453 108 A N 0.298 123.125 122.820 0.012 0.000 1.972 108 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 108 A C 2.221 179.811 177.584 0.011 0.000 1.169 108 A CA 1.756 53.801 52.037 0.013 0.000 0.635 108 A CB -0.625 18.382 19.000 0.012 0.000 0.810 108 A HN 0.593 nan 8.150 nan 0.000 0.446 109 A N -1.805 121.021 122.820 0.009 0.000 2.255 109 A HA 0.393 4.713 4.320 -0.000 0.000 0.206 109 A C 1.761 179.350 177.584 0.008 0.000 1.193 109 A CA 1.253 53.295 52.037 0.008 0.000 0.794 109 A CB -1.040 17.964 19.000 0.007 0.000 0.794 109 A HN 1.876 nan 8.150 nan 0.000 0.481 110 G N -2.232 106.574 108.800 0.010 0.000 2.176 110 G HA2 0.096 4.056 3.960 -0.000 0.000 0.232 110 G HA3 0.096 4.056 3.960 -0.000 0.000 0.232 110 G C 0.502 175.407 174.900 0.010 0.000 0.986 110 G CA 0.172 45.278 45.100 0.010 0.000 0.643 110 G HN 1.626 nan 8.290 nan 0.000 0.522 111 A N 0.061 122.887 122.820 0.009 0.000 2.483 111 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 111 A C 0.564 178.154 177.584 0.010 0.000 1.070 111 A CA 0.786 52.829 52.037 0.009 0.000 0.770 111 A CB 0.168 19.174 19.000 0.008 0.000 1.008 111 A HN 1.148 nan 8.150 nan 0.000 0.497 112 N N 2.794 121.500 118.700 0.009 0.000 2.405 112 N HA 0.194 4.934 4.740 -0.000 0.000 0.260 112 N C -1.155 174.361 175.510 0.009 0.000 1.152 112 N CA -1.856 51.200 53.050 0.010 0.000 0.948 112 N CB 0.917 39.410 38.487 0.009 0.000 1.111 112 N HN 0.300 nan 8.380 nan 0.000 0.485 113 P HA -0.191 nan 4.420 nan 0.000 0.216 113 P C 1.401 178.706 177.300 0.008 0.000 1.150 113 P CA 1.208 64.313 63.100 0.009 0.000 0.837 113 P CB 0.323 32.029 31.700 0.010 0.000 0.786 114 L N -0.215 121.013 121.223 0.008 0.000 1.990 114 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 114 L C 2.891 179.765 176.870 0.007 0.000 1.072 114 L CA 2.068 56.912 54.840 0.007 0.000 0.755 114 L CB -1.572 40.492 42.059 0.008 0.000 0.889 114 L HN -0.028 nan 8.230 nan 0.000 0.432 115 A N 0.090 122.914 122.820 0.007 0.000 1.902 115 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 115 A C 2.278 179.865 177.584 0.006 0.000 1.181 115 A CA 1.415 53.456 52.037 0.006 0.000 0.623 115 A CB -0.750 18.254 19.000 0.006 0.000 0.818 115 A HN 0.375 nan 8.150 nan 0.000 0.443 116 L N -0.805 120.422 121.223 0.007 0.000 2.079 116 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 116 L C 2.636 179.510 176.870 0.006 0.000 1.081 116 L CA 1.977 56.821 54.840 0.006 0.000 0.752 116 L CB -0.444 41.619 42.059 0.007 0.000 0.896 116 L HN 0.473 nan 8.230 nan 0.000 0.433 117 K N 0.221 120.624 120.400 0.006 0.000 1.973 117 K HA -0.181 4.139 4.320 -0.000 0.000 0.212 117 K C 2.291 178.894 176.600 0.005 0.000 1.047 117 K CA 1.299 57.589 56.287 0.005 0.000 0.937 117 K CB -0.031 32.472 32.500 0.005 0.000 0.721 117 K HN 0.138 nan 8.250 nan 0.000 0.440 118 R N -0.463 120.040 120.500 0.005 0.000 2.133 118 R HA -0.188 4.152 4.340 -0.000 0.000 0.245 118 R C 2.430 178.734 176.300 0.005 0.000 1.137 118 R CA 1.730 57.834 56.100 0.005 0.000 0.947 118 R CB -0.814 29.489 30.300 0.005 0.000 0.865 118 R HN 0.436 nan 8.270 nan 0.000 0.437 119 G N 1.004 109.807 108.800 0.005 0.000 2.418 119 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G C 1.484 176.387 174.900 0.006 0.000 1.158 119 G CA 0.671 45.775 45.100 0.006 0.000 0.771 119 G HN 0.196 nan 8.290 nan 0.000 0.545 120 I N 0.459 121.033 120.570 0.006 0.000 2.226 120 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 120 I C 2.765 178.885 176.117 0.005 0.000 1.100 120 I CA 1.272 62.575 61.300 0.006 0.000 1.374 120 I CB -0.307 37.696 38.000 0.005 0.000 1.057 120 I HN 0.266 nan 8.210 nan 0.000 0.413 121 E N 1.144 121.347 120.200 0.005 0.000 2.023 121 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 121 E C 2.195 178.799 176.600 0.005 0.000 1.003 121 E CA 1.438 57.841 56.400 0.005 0.000 0.809 121 E CB -0.081 29.622 29.700 0.005 0.000 0.755 121 E HN 0.409 nan 8.360 nan 0.000 0.449 122 K N 0.479 120.883 120.400 0.005 0.000 2.044 122 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 122 K C 2.243 178.847 176.600 0.006 0.000 1.049 122 K CA 1.259 57.549 56.287 0.006 0.000 0.927 122 K CB -0.265 32.239 32.500 0.005 0.000 0.713 122 K HN 0.090 nan 8.250 nan 0.000 0.443 123 A N 1.161 123.984 122.820 0.006 0.000 1.908 123 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 123 A C 2.429 180.017 177.584 0.007 0.000 1.181 123 A CA 1.598 53.639 52.037 0.007 0.000 0.627 123 A CB -0.677 18.327 19.000 0.007 0.000 0.818 123 A HN 0.091 nan 8.150 nan 0.000 0.445 124 V N 0.026 119.944 119.914 0.006 0.000 2.358 124 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 124 V C 2.360 178.457 176.094 0.006 0.000 1.047 124 V CA 2.169 64.473 62.300 0.006 0.000 1.035 124 V CB -0.964 30.863 31.823 0.005 0.000 0.658 124 V HN 0.624 nan 8.190 nan 0.000 0.452 125 E N 0.660 120.863 120.200 0.006 0.000 2.033 125 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 125 E C 2.379 178.983 176.600 0.006 0.000 1.011 125 E CA 1.590 57.994 56.400 0.006 0.000 0.815 125 E CB -0.460 29.243 29.700 0.006 0.000 0.755 125 E HN 0.570 nan 8.360 nan 0.000 0.451 126 A N 1.416 124.240 122.820 0.007 0.000 1.917 126 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 126 A C 2.386 179.975 177.584 0.008 0.000 1.182 126 A CA 2.176 54.218 52.037 0.007 0.000 0.633 126 A CB -0.781 18.223 19.000 0.007 0.000 0.819 126 A HN 0.337 nan 8.150 nan 0.000 0.448 127 A N -0.762 122.063 122.820 0.008 0.000 1.898 127 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 127 A C 2.239 179.828 177.584 0.008 0.000 1.181 127 A CA 1.726 53.768 52.037 0.008 0.000 0.620 127 A CB -0.904 18.101 19.000 0.008 0.000 0.819 127 A HN 0.427 nan 8.150 nan 0.000 0.442 128 V N 0.039 119.957 119.914 0.007 0.000 2.295 128 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 128 V C 2.491 178.589 176.094 0.006 0.000 1.049 128 V CA 2.297 64.601 62.300 0.006 0.000 1.024 128 V CB -0.848 30.978 31.823 0.005 0.000 0.648 128 V HN 0.747 nan 8.190 nan 0.000 0.447 129 E N 0.327 120.531 120.200 0.007 0.000 2.097 129 E HA -0.344 4.006 4.350 -0.000 0.000 0.196 129 E C 2.181 178.786 176.600 0.008 0.000 1.000 129 E CA 1.897 58.301 56.400 0.007 0.000 0.804 129 E CB -0.059 29.645 29.700 0.007 0.000 0.740 129 E HN 0.486 nan 8.360 nan 0.000 0.454 130 K N 0.562 120.967 120.400 0.009 0.000 2.211 130 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 130 K C 1.822 178.428 176.600 0.010 0.000 1.050 130 K CA 0.931 57.224 56.287 0.010 0.000 0.945 130 K CB -0.126 32.381 32.500 0.012 0.000 0.732 130 K HN 0.200 nan 8.250 nan 0.000 0.451 131 I N 0.495 121.070 120.570 0.008 0.000 2.202 131 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 131 I C 2.049 178.170 176.117 0.007 0.000 1.091 131 I CA 1.313 62.617 61.300 0.007 0.000 1.368 131 I CB -0.275 37.728 38.000 0.006 0.000 1.058 131 I HN 0.130 nan 8.210 nan 0.000 0.410 132 K N 1.316 121.719 120.400 0.006 0.000 1.991 132 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 132 K C 2.313 178.917 176.600 0.007 0.000 1.049 132 K CA 1.633 57.924 56.287 0.006 0.000 0.932 132 K CB -0.482 32.022 32.500 0.006 0.000 0.717 132 K HN 0.282 nan 8.250 nan 0.000 0.441 133 A N 1.296 124.121 122.820 0.008 0.000 2.054 133 A HA -0.188 4.132 4.320 -0.000 0.000 0.223 133 A C 1.910 179.500 177.584 0.010 0.000 1.169 133 A CA 1.626 53.668 52.037 0.009 0.000 0.655 133 A CB -0.658 18.348 19.000 0.009 0.000 0.812 133 A HN 0.258 nan 8.150 nan 0.000 0.462 134 L N -1.288 119.941 121.223 0.010 0.000 2.640 134 L HA 0.300 4.640 4.340 -0.000 0.000 0.230 134 L C 1.128 178.003 176.870 0.009 0.000 1.123 134 L CA -0.108 54.739 54.840 0.011 0.000 0.900 134 L CB -0.133 41.934 42.059 0.014 0.000 1.146 134 L HN 0.341 nan 8.230 nan 0.000 0.484 135 A N 1.055 123.879 122.820 0.007 0.000 2.462 135 A HA 0.486 4.806 4.320 -0.000 0.000 0.243 135 A C -0.203 177.384 177.584 0.005 0.000 1.076 135 A CA 0.179 52.219 52.037 0.005 0.000 0.773 135 A CB 0.200 19.203 19.000 0.004 0.000 1.010 135 A HN 0.195 nan 8.150 nan 0.000 0.493 136 I N 3.203 123.775 120.570 0.004 0.000 2.436 136 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 136 I C -2.377 173.741 176.117 0.003 0.000 1.010 136 I CA -2.213 59.089 61.300 0.004 0.000 1.098 136 I CB 2.548 40.551 38.000 0.004 0.000 1.266 136 I HN 0.430 nan 8.210 nan 0.000 0.434 137 P HA 0.072 nan 4.420 nan 0.000 0.271 137 P C -0.696 176.605 177.300 0.003 0.000 1.216 137 P CA -0.227 62.874 63.100 0.003 0.000 0.776 137 P CB 0.571 32.273 31.700 0.003 0.000 0.881 138 V N 3.535 123.451 119.914 0.002 0.000 2.508 138 V HA 0.096 4.216 4.120 -0.000 0.000 0.281 138 V C 1.034 177.130 176.094 0.004 0.000 1.041 138 V CA 0.601 62.902 62.300 0.002 0.000 1.016 138 V CB 0.159 31.983 31.823 0.002 0.000 0.984 138 V HN 0.629 nan 8.190 nan 0.000 0.478 139 E N 2.459 122.662 120.200 0.004 0.000 2.846 139 E HA 0.191 4.541 4.350 -0.000 0.000 0.211 139 E C -0.616 175.987 176.600 0.006 0.000 0.975 139 E CA -0.127 56.276 56.400 0.005 0.000 1.211 139 E CB 0.797 30.500 29.700 0.004 0.000 1.052 139 E HN 1.005 nan 8.360 nan 0.000 0.487 140 D N -1.072 119.332 120.400 0.006 0.000 2.710 140 D HA 0.050 4.690 4.640 -0.000 0.000 0.276 140 D C 0.436 176.742 176.300 0.009 0.000 1.267 140 D CA -0.710 53.294 54.000 0.008 0.000 0.772 140 D CB 0.927 41.731 40.800 0.006 0.000 1.299 140 D HN -0.232 nan 8.370 nan 0.000 0.421 141 R N 0.520 121.027 120.500 0.012 0.000 2.117 141 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 141 R C 1.831 178.138 176.300 0.011 0.000 1.143 141 R CA 1.702 57.811 56.100 0.015 0.000 0.968 141 R CB -0.267 30.044 30.300 0.018 0.000 0.863 141 R HN 0.574 nan 8.270 nan 0.000 0.444 142 K N -0.255 120.150 120.400 0.007 0.000 1.984 142 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 142 K C 1.978 178.578 176.600 0.001 0.000 1.046 142 K CA 1.336 57.625 56.287 0.003 0.000 0.934 142 K CB -0.249 32.252 32.500 0.002 0.000 0.717 142 K HN 0.137 nan 8.250 nan 0.000 0.438 143 A N 1.540 124.360 122.820 0.001 0.000 2.009 143 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 143 A C 2.086 179.668 177.584 -0.002 0.000 1.175 143 A CA 1.773 53.809 52.037 -0.002 0.000 0.651 143 A CB -0.625 18.376 19.000 0.000 0.000 0.815 143 A HN 0.433 nan 8.150 nan 0.000 0.459 144 I N -1.590 118.981 120.570 0.001 0.000 2.400 144 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 144 I C 2.497 178.614 176.117 -0.000 0.000 1.109 144 I CA 1.299 62.600 61.300 0.002 0.000 1.425 144 I CB -0.370 37.635 38.000 0.009 0.000 1.094 144 I HN 0.544 nan 8.210 nan 0.000 0.425 145 E N 1.402 121.603 120.200 0.003 0.000 2.130 145 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 145 E C 1.815 178.407 176.600 -0.012 0.000 0.998 145 E CA 1.495 57.895 56.400 0.000 0.000 0.806 145 E CB 0.143 29.845 29.700 0.003 0.000 0.738 145 E HN 0.503 nan 8.360 nan 0.000 0.459 146 E N 0.026 120.218 120.200 -0.014 0.000 1.998 146 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 146 E C 2.263 178.846 176.600 -0.028 0.000 1.003 146 E CA 1.403 57.789 56.400 -0.023 0.000 0.829 146 E CB -0.274 29.414 29.700 -0.021 0.000 0.777 146 E HN 0.101 nan 8.360 nan 0.000 0.460 147 V N 1.749 121.649 119.914 -0.023 0.000 2.311 147 V HA -0.381 3.739 4.120 -0.000 0.000 0.256 147 V C 2.346 178.421 176.094 -0.031 0.000 1.077 147 V CA 2.255 64.540 62.300 -0.025 0.000 1.067 147 V CB -0.893 30.920 31.823 -0.017 0.000 0.659 147 V HN 0.421 nan 8.190 nan 0.000 0.451 148 A N -0.913 121.890 122.820 -0.028 0.000 1.872 148 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 148 A C 2.372 179.920 177.584 -0.060 0.000 1.187 148 A CA 2.276 54.291 52.037 -0.036 0.000 0.614 148 A CB -0.995 17.995 19.000 -0.017 0.000 0.826 148 A HN 0.508 nan 8.150 nan 0.000 0.442 149 T N 0.492 115.014 114.554 -0.054 0.000 2.759 149 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 149 T C 1.773 176.428 174.700 -0.074 0.000 1.042 149 T CA 1.593 63.652 62.100 -0.068 0.000 1.140 149 T CB -0.427 68.409 68.868 -0.053 0.000 0.864 149 T HN 0.404 nan 8.240 nan 0.000 0.455 150 I N 0.568 121.100 120.570 -0.063 0.000 2.094 150 I HA -0.178 3.992 4.170 -0.000 0.000 0.234 150 I C 2.775 178.853 176.117 -0.065 0.000 1.063 150 I CA 1.097 62.359 61.300 -0.064 0.000 1.328 150 I CB -0.550 37.416 38.000 -0.057 0.000 1.058 150 I HN 0.195 nan 8.210 nan 0.000 0.400 151 S N 0.244 115.908 115.700 -0.058 0.000 2.413 151 S HA -0.271 4.199 4.470 -0.000 0.000 0.237 151 S C 1.829 176.386 174.600 -0.072 0.000 1.044 151 S CA 1.861 60.027 58.200 -0.056 0.000 1.024 151 S CB -0.223 62.946 63.200 -0.051 0.000 0.829 151 S HN 0.528 nan 8.310 nan 0.000 0.475 152 A N 0.091 122.851 122.820 -0.100 0.000 2.220 152 A HA 0.354 4.674 4.320 -0.000 0.000 0.211 152 A C 0.870 178.381 177.584 -0.123 0.000 1.176 152 A CA 0.716 52.669 52.037 -0.140 0.000 0.834 152 A CB -0.388 18.473 19.000 -0.232 0.000 0.868 152 A HN 0.640 nan 8.150 nan 0.000 0.488 153 N N 0.125 118.767 118.700 -0.097 0.000 2.738 153 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 153 N C -1.129 174.325 175.510 -0.094 0.000 1.047 153 N CA 1.154 54.154 53.050 -0.083 0.000 0.707 153 N CB -0.836 37.612 38.487 -0.066 0.000 0.937 153 N HN 0.554 nan 8.380 nan 0.000 0.545 154 D N -2.306 118.027 120.400 -0.110 0.000 2.871 154 D HA 0.248 4.888 4.640 -0.000 0.000 0.209 154 D C -2.314 173.925 176.300 -0.100 0.000 1.292 154 D CA -1.281 52.651 54.000 -0.113 0.000 0.869 154 D CB 1.615 42.318 40.800 -0.162 0.000 1.663 154 D HN -0.121 nan 8.370 nan 0.000 0.557 155 P HA -0.034 nan 4.420 nan 0.000 0.215 155 P C 0.982 178.258 177.300 -0.040 0.000 1.157 155 P CA 1.065 64.136 63.100 -0.048 0.000 0.859 155 P CB 0.551 32.230 31.700 -0.034 0.000 0.786 156 E N -0.395 119.783 120.200 -0.037 0.000 2.049 156 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 156 E C 2.017 178.617 176.600 0.001 0.000 1.007 156 E CA 1.311 57.707 56.400 -0.005 0.000 0.809 156 E CB -0.921 28.783 29.700 0.006 0.000 0.749 156 E HN 0.014 nan 8.360 nan 0.000 0.450 157 V N 0.959 120.802 119.914 -0.119 0.000 2.332 157 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 157 V C 2.366 178.428 176.094 -0.053 0.000 1.055 157 V CA 2.052 64.209 62.300 -0.238 0.000 1.038 157 V CB -0.946 30.466 31.823 -0.684 0.000 0.651 157 V HN 0.450 nan 8.190 nan 0.000 0.450 158 G N -0.874 107.885 108.800 -0.068 0.000 2.470 158 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 158 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 158 G C 1.598 176.506 174.900 0.014 0.000 1.121 158 G CA 0.933 46.017 45.100 -0.026 0.000 0.766 158 G HN 0.497 nan 8.290 nan 0.000 0.553 159 K N 0.200 120.615 120.400 0.026 0.000 1.975 159 K HA 0.084 4.404 4.320 -0.000 0.000 0.210 159 K C 2.494 179.134 176.600 0.065 0.000 1.041 159 K CA 0.618 56.929 56.287 0.040 0.000 0.942 159 K CB -0.406 32.117 32.500 0.039 0.000 0.729 159 K HN 0.257 nan 8.250 nan 0.000 0.439 160 L N 1.518 122.801 121.223 0.099 0.000 2.051 160 L HA -0.255 4.085 4.340 -0.000 0.000 0.214 160 L C 2.518 179.434 176.870 0.076 0.000 1.076 160 L CA 1.018 55.917 54.840 0.098 0.000 0.758 160 L CB -0.658 41.489 42.059 0.147 0.000 0.890 160 L HN 0.348 nan 8.230 nan 0.000 0.433 161 I N 0.044 120.679 120.570 0.109 0.000 2.394 161 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 161 I C 2.789 178.932 176.117 0.044 0.000 1.136 161 I CA 1.500 62.843 61.300 0.073 0.000 1.425 161 I CB -1.374 36.675 38.000 0.082 0.000 1.079 161 I HN 0.198 nan 8.210 nan 0.000 0.425 162 A N 0.711 123.559 122.820 0.046 0.000 1.854 162 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 162 A C 2.022 179.640 177.584 0.058 0.000 1.192 162 A CA 1.456 53.517 52.037 0.041 0.000 0.611 162 A CB -0.539 18.481 19.000 0.033 0.000 0.832 162 A HN 0.284 nan 8.150 nan 0.000 0.442 163 D N 0.418 120.861 120.400 0.070 0.000 2.137 163 D HA -0.178 4.462 4.640 -0.000 0.000 0.189 163 D C 2.304 178.700 176.300 0.160 0.000 0.998 163 D CA 1.962 56.028 54.000 0.111 0.000 0.839 163 D CB -0.733 40.138 40.800 0.119 0.000 0.962 163 D HN 0.380 nan 8.370 nan 0.000 0.446 164 A N 0.943 123.817 122.820 0.090 0.000 1.849 164 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 164 A C 2.223 179.861 177.584 0.090 0.000 1.202 164 A CA 2.825 54.874 52.037 0.020 0.000 0.629 164 A CB -0.891 18.008 19.000 -0.169 0.000 0.834 164 A HN 0.237 nan 8.150 nan 0.000 0.447 165 M N 0.081 119.708 119.600 0.045 0.000 2.116 165 M HA -0.253 4.227 4.480 -0.000 0.000 0.255 165 M C 1.893 178.235 176.300 0.069 0.000 1.075 165 M CA 2.615 57.942 55.300 0.044 0.000 1.087 165 M CB -0.637 31.981 32.600 0.030 0.000 1.340 165 M HN 0.662 nan 8.290 nan 0.000 0.402 166 E N 0.018 120.266 120.200 0.082 0.000 2.017 166 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 166 E C 0.641 177.294 176.600 0.088 0.000 0.997 166 E CA 1.380 57.823 56.400 0.072 0.000 0.804 166 E CB -0.144 29.594 29.700 0.063 0.000 0.757 166 E HN 0.537 nan 8.360 nan 0.000 0.448 167 K N 0.179 120.668 120.400 0.149 0.000 3.225 167 K HA 0.088 4.408 4.320 -0.000 0.000 0.282 167 K C -0.101 176.633 176.600 0.223 0.000 1.060 167 K CA -0.124 56.233 56.287 0.117 0.000 1.186 167 K CB 0.723 33.206 32.500 -0.029 0.000 1.214 167 K HN 0.028 nan 8.250 nan 0.000 0.428 168 V N -1.184 118.823 119.914 0.155 0.000 3.968 168 V HA 0.121 4.241 4.120 -0.000 0.000 0.298 168 V C 0.448 176.581 176.094 0.065 0.000 1.699 168 V CA -0.122 62.255 62.300 0.127 0.000 1.282 168 V CB 0.391 32.292 31.823 0.129 0.000 0.994 168 V HN 0.600 nan 8.190 nan 0.000 0.402 169 G N 2.521 111.353 108.800 0.053 0.000 2.801 169 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.686 169 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.686 169 G C 0.489 175.405 174.900 0.026 0.000 1.507 169 G CA 0.349 45.468 45.100 0.032 0.000 0.980 169 G HN 0.712 nan 8.290 nan 0.000 0.589 170 K N -0.314 120.097 120.400 0.018 0.000 2.360 170 K HA -0.007 4.313 4.320 -0.000 0.000 0.201 170 K C 1.470 178.076 176.600 0.009 0.000 1.046 170 K CA 1.995 58.290 56.287 0.013 0.000 0.945 170 K CB 0.157 32.663 32.500 0.010 0.000 0.750 170 K HN 0.631 nan 8.250 nan 0.000 0.464 171 E N 1.082 121.288 120.200 0.010 0.000 2.474 171 E HA 0.070 4.420 4.350 -0.000 0.000 0.195 171 E C 0.989 177.592 176.600 0.006 0.000 1.039 171 E CA -0.155 56.248 56.400 0.006 0.000 0.881 171 E CB 0.559 30.263 29.700 0.007 0.000 0.970 171 E HN 0.488 nan 8.360 nan 0.000 0.486 172 G N 1.177 109.983 108.800 0.011 0.000 2.447 172 G HA2 0.331 4.291 3.960 -0.000 0.000 0.269 172 G HA3 0.331 4.291 3.960 -0.000 0.000 0.269 172 G C -0.109 174.787 174.900 -0.005 0.000 1.455 172 G CA -0.330 44.776 45.100 0.010 0.000 1.061 172 G HN 0.071 nan 8.290 nan 0.000 0.545 173 I N -0.195 120.366 120.570 -0.015 0.000 2.610 173 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 173 I C -0.945 175.138 176.117 -0.057 0.000 1.163 173 I CA -0.406 60.874 61.300 -0.034 0.000 1.044 173 I CB 2.221 40.196 38.000 -0.041 0.000 1.251 173 I HN 0.210 nan 8.210 nan 0.000 0.424 174 I N 4.897 125.429 120.570 -0.064 0.000 2.530 174 I HA 0.517 4.687 4.170 -0.000 0.000 0.297 174 I C -0.416 175.644 176.117 -0.094 0.000 1.011 174 I CA -0.464 60.778 61.300 -0.097 0.000 1.107 174 I CB 2.353 40.302 38.000 -0.086 0.000 1.285 174 I HN 0.396 nan 8.210 nan 0.000 0.436 175 T N 4.222 118.701 114.554 -0.125 0.000 2.893 175 T HA 0.445 4.795 4.350 -0.000 0.000 0.293 175 T C -0.624 173.989 174.700 -0.146 0.000 1.027 175 T CA -0.453 61.580 62.100 -0.111 0.000 0.988 175 T CB 2.308 71.117 68.868 -0.099 0.000 1.043 175 T HN 0.191 nan 8.240 nan 0.000 0.461 176 V N 3.401 123.242 119.914 -0.121 0.000 2.350 176 V HA 0.492 4.612 4.120 -0.000 0.000 0.276 176 V C 0.116 176.139 176.094 -0.119 0.000 1.028 176 V CA -0.526 61.682 62.300 -0.155 0.000 0.860 176 V CB 1.137 32.899 31.823 -0.103 0.000 0.990 176 V HN 0.832 nan 8.190 nan 0.000 0.453 177 E N 2.303 122.416 120.200 -0.145 0.000 2.359 177 E HA 0.423 4.773 4.350 -0.000 0.000 0.266 177 E C -0.845 175.698 176.600 -0.094 0.000 0.920 177 E CA -0.883 55.456 56.400 -0.101 0.000 0.788 177 E CB 2.472 32.114 29.700 -0.098 0.000 1.279 177 E HN 0.708 nan 8.360 nan 0.000 0.438 178 E N 1.451 121.615 120.200 -0.060 0.000 1.893 178 E HA 0.107 4.457 4.350 -0.000 0.000 0.269 178 E C -0.325 176.248 176.600 -0.045 0.000 1.129 178 E CA -0.187 56.187 56.400 -0.043 0.000 0.904 178 E CB 0.583 30.268 29.700 -0.025 0.000 1.077 178 E HN 0.381 nan 8.360 nan 0.000 0.407 179 S N 3.393 119.060 115.700 -0.054 0.000 2.658 179 S HA 0.008 4.478 4.470 -0.000 0.000 0.249 179 S C 0.967 175.550 174.600 -0.028 0.000 1.363 179 S CA 0.144 58.316 58.200 -0.046 0.000 0.964 179 S CB 0.578 63.748 63.200 -0.049 0.000 0.973 179 S HN 0.497 nan 8.310 nan 0.000 0.588 180 K N 0.083 120.469 120.400 -0.023 0.000 2.435 180 K HA 0.196 4.516 4.320 -0.000 0.000 0.199 180 K C 0.912 177.507 176.600 -0.009 0.000 1.153 180 K CA 0.366 56.645 56.287 -0.015 0.000 0.974 180 K CB -0.182 32.309 32.500 -0.015 0.000 0.997 180 K HN 0.705 nan 8.250 nan 0.000 0.547 181 S N 0.269 115.963 115.700 -0.010 0.000 2.655 181 S HA 0.283 4.753 4.470 -0.000 0.000 0.265 181 S C 1.436 176.036 174.600 0.000 0.000 1.240 181 S CA -0.579 57.619 58.200 -0.004 0.000 0.986 181 S CB 0.682 63.880 63.200 -0.005 0.000 0.985 181 S HN 0.061 nan 8.310 nan 0.000 0.562 182 L N -0.322 120.904 121.223 0.005 0.000 2.376 182 L HA 0.162 4.502 4.340 -0.000 0.000 0.219 182 L C 1.389 178.268 176.870 0.015 0.000 1.133 182 L CA 0.912 55.758 54.840 0.010 0.000 0.816 182 L CB -0.439 41.627 42.059 0.011 0.000 0.933 182 L HN 0.765 nan 8.230 nan 0.000 0.449 183 E N -0.332 119.875 120.200 0.011 0.000 2.248 183 E HA 0.211 4.561 4.350 -0.000 0.000 0.272 183 E C -0.655 175.949 176.600 0.007 0.000 1.008 183 E CA -0.493 55.916 56.400 0.015 0.000 0.856 183 E CB 1.389 31.096 29.700 0.012 0.000 1.120 183 E HN -0.114 nan 8.360 nan 0.000 0.397 184 T N 3.105 117.669 114.554 0.017 0.000 2.882 184 T HA 0.292 4.642 4.350 -0.000 0.000 0.287 184 T C -0.724 173.957 174.700 -0.032 0.000 0.992 184 T CA -0.464 61.627 62.100 -0.014 0.000 1.076 184 T CB 0.879 69.767 68.868 0.034 0.000 0.961 184 T HN 0.403 nan 8.240 nan 0.000 0.490 185 E N 1.307 121.460 120.200 -0.077 0.000 2.293 185 E HA 0.491 4.841 4.350 -0.000 0.000 0.270 185 E C -1.358 175.172 176.600 -0.118 0.000 0.879 185 E CA -0.983 55.376 56.400 -0.068 0.000 0.756 185 E CB 2.180 31.851 29.700 -0.049 0.000 1.208 185 E HN 0.248 nan 8.360 nan 0.000 0.428 186 L N 2.439 123.604 121.223 -0.096 0.000 2.282 186 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 186 L C -1.265 175.523 176.870 -0.136 0.000 1.033 186 L CA -0.061 54.679 54.840 -0.166 0.000 0.807 186 L CB 0.502 42.480 42.059 -0.136 0.000 1.209 186 L HN 0.439 nan 8.230 nan 0.000 0.423 187 K N 4.680 124.939 120.400 -0.235 0.000 2.502 187 K HA 0.558 4.878 4.320 -0.000 0.000 0.257 187 K C -1.578 174.878 176.600 -0.240 0.000 0.938 187 K CA -0.485 55.741 56.287 -0.102 0.000 0.819 187 K CB 2.043 34.517 32.500 -0.044 0.000 1.333 187 K HN 0.297 nan 8.250 nan 0.000 0.434 188 F N 0.506 120.430 119.950 -0.044 0.000 2.470 188 F HA 0.373 4.900 4.527 -0.000 0.000 0.329 188 F C 0.276 176.047 175.800 -0.048 0.000 1.072 188 F CA -1.107 56.867 58.000 -0.044 0.000 0.989 188 F CB 1.312 40.291 39.000 -0.035 0.000 1.193 188 F HN 0.016 nan 8.300 nan 0.000 0.481 189 V N 1.864 121.848 119.914 0.117 0.000 2.348 189 V HA 0.123 4.243 4.120 -0.000 0.000 0.270 189 V C 0.017 176.138 176.094 0.045 0.000 1.037 189 V CA -0.671 61.651 62.300 0.035 0.000 0.872 189 V CB 0.922 32.724 31.823 -0.035 0.000 1.002 189 V HN 0.708 nan 8.190 nan 0.000 0.464 190 E N 4.804 125.024 120.200 0.034 0.000 2.166 190 E HA 0.462 4.812 4.350 -0.000 0.000 0.279 190 E C 0.803 177.413 176.600 0.016 0.000 1.095 190 E CA 0.842 57.255 56.400 0.022 0.000 0.888 190 E CB 0.276 29.984 29.700 0.013 0.000 1.041 190 E HN 0.965 nan 8.360 nan 0.000 0.414 191 G N 3.611 112.429 108.800 0.029 0.000 2.593 191 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.237 191 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.237 191 G C -1.088 173.860 174.900 0.079 0.000 1.312 191 G CA -0.078 45.057 45.100 0.059 0.000 0.896 191 G HN 0.613 nan 8.290 nan 0.000 0.574 192 Y N 1.813 122.113 120.300 0.000 0.000 2.334 192 Y HA 0.597 5.147 4.550 -0.000 0.000 0.328 192 Y C 0.392 176.274 175.900 -0.031 0.000 1.130 192 Y CA 0.383 58.494 58.100 0.017 0.000 1.163 192 Y CB 1.641 40.134 38.460 0.055 0.000 1.207 192 Y HN 1.075 nan 8.280 nan 0.000 0.471 193 Q N 4.331 124.033 119.800 -0.163 0.000 2.479 193 Q HA 0.538 4.878 4.340 -0.000 0.000 0.276 193 Q C -2.214 173.697 176.000 -0.148 0.000 0.989 193 Q CA -0.832 54.858 55.803 -0.188 0.000 0.864 193 Q CB 1.549 30.170 28.738 -0.194 0.000 1.444 193 Q HN 0.516 nan 8.270 nan 0.000 0.388 194 F N -1.186 118.786 119.950 0.036 0.000 2.629 194 F HA 0.633 5.160 4.527 -0.000 0.000 0.316 194 F C -0.640 175.172 175.800 0.020 0.000 1.081 194 F CA -1.257 56.761 58.000 0.030 0.000 0.954 194 F CB 1.402 40.472 39.000 0.118 0.000 1.337 194 F HN 0.453 nan 8.300 nan 0.000 0.474 195 D N 2.522 123.062 120.400 0.234 0.000 2.801 195 D HA 0.156 4.796 4.640 -0.000 0.000 0.232 195 D C -0.488 175.925 176.300 0.189 0.000 1.128 195 D CA 0.291 54.366 54.000 0.125 0.000 1.003 195 D CB 0.128 40.971 40.800 0.071 0.000 1.110 195 D HN 0.285 nan 8.370 nan 0.000 0.477 196 K N 0.377 120.934 120.400 0.261 0.000 2.482 196 K HA 0.533 4.853 4.320 -0.000 0.000 0.251 196 K C 0.245 176.921 176.600 0.126 0.000 0.936 196 K CA -0.709 55.736 56.287 0.263 0.000 0.791 196 K CB 2.927 35.705 32.500 0.463 0.000 1.213 196 K HN 0.187 nan 8.250 nan 0.000 0.428 197 G N 0.763 109.575 108.800 0.020 0.000 2.795 197 G HA2 0.432 4.392 3.960 -0.000 0.000 0.267 197 G HA3 0.432 4.392 3.960 -0.000 0.000 0.267 197 G C -0.894 174.002 174.900 -0.005 0.000 1.362 197 G CA -0.599 44.421 45.100 -0.132 0.000 1.048 197 G HN 0.458 nan 8.290 nan 0.000 0.547 198 Y N -0.342 120.054 120.300 0.159 0.000 2.569 198 Y HA 0.305 4.855 4.550 -0.000 0.000 0.332 198 Y C 1.346 177.363 175.900 0.195 0.000 1.120 198 Y CA -1.384 56.870 58.100 0.257 0.000 1.416 198 Y CB -0.130 38.514 38.460 0.307 0.000 1.210 198 Y HN 0.258 nan 8.280 nan 0.000 0.528 199 I N 1.731 122.564 120.570 0.439 0.000 2.953 199 I HA -0.175 3.994 4.170 -0.000 0.000 0.271 199 I C 0.805 176.990 176.117 0.114 0.000 1.286 199 I CA 1.353 62.813 61.300 0.267 0.000 1.449 199 I CB -0.267 37.902 38.000 0.282 0.000 1.086 199 I HN 0.660 nan 8.210 nan 0.000 0.483 200 S N -0.210 115.463 115.700 -0.046 0.000 2.592 200 S HA 0.292 4.762 4.470 -0.000 0.000 0.275 200 S C -1.974 172.345 174.600 -0.467 0.000 1.169 200 S CA -1.088 56.903 58.200 -0.347 0.000 0.958 200 S CB 1.632 64.413 63.200 -0.698 0.000 1.095 200 S HN -0.166 nan 8.310 nan 0.000 0.471 201 P HA -0.123 nan 4.420 nan 0.000 0.223 201 P C 0.777 177.727 177.300 -0.583 0.000 1.144 201 P CA 1.105 63.874 63.100 -0.551 0.000 0.783 201 P CB -0.156 31.315 31.700 -0.381 0.000 0.771 202 Y N -0.937 119.109 120.300 -0.424 0.000 2.352 202 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 202 Y C 2.424 178.253 175.900 -0.119 0.000 1.136 202 Y CA 0.900 58.841 58.100 -0.264 0.000 1.227 202 Y CB -1.264 37.057 38.460 -0.232 0.000 0.991 202 Y HN -0.110 nan 8.280 nan 0.000 0.545 203 F N -0.833 119.087 119.950 -0.050 0.000 2.408 203 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 203 F C 0.953 176.673 175.800 -0.134 0.000 1.090 203 F CA -0.439 57.523 58.000 -0.064 0.000 1.427 203 F CB -0.382 38.604 39.000 -0.024 0.000 1.070 203 F HN -0.282 nan 8.300 nan 0.000 0.549 204 V N 1.244 121.082 119.914 -0.127 0.000 2.681 204 V HA -0.188 3.932 4.120 -0.000 0.000 0.306 204 V C 1.080 177.167 176.094 -0.012 0.000 1.077 204 V CA 1.076 63.293 62.300 -0.139 0.000 1.224 204 V CB 0.849 32.536 31.823 -0.226 0.000 0.879 204 V HN 0.259 nan 8.190 nan 0.000 0.494 205 T N 3.049 117.614 114.554 0.019 0.000 3.039 205 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 205 T C 0.822 175.535 174.700 0.021 0.000 1.052 205 T CA 0.318 62.437 62.100 0.030 0.000 1.125 205 T CB -0.023 68.870 68.868 0.041 0.000 0.908 205 T HN 0.600 nan 8.240 nan 0.000 0.473 206 N N 1.550 120.263 118.700 0.022 0.000 2.372 206 N HA 0.250 4.990 4.740 -0.000 0.000 0.285 206 N C -2.263 173.253 175.510 0.009 0.000 1.008 206 N CA -2.024 51.037 53.050 0.018 0.000 0.880 206 N CB 2.600 41.103 38.487 0.027 0.000 1.239 206 N HN -0.013 nan 8.380 nan 0.000 0.484 207 P HA 0.093 nan 4.420 nan 0.000 0.240 207 P C 0.184 177.485 177.300 0.001 0.000 1.190 207 P CA 0.817 63.914 63.100 -0.006 0.000 0.781 207 P CB 0.774 32.470 31.700 -0.008 0.000 0.931 208 E N -0.408 119.797 120.200 0.008 0.000 2.364 208 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 208 E C 1.339 177.948 176.600 0.016 0.000 0.990 208 E CA 1.112 57.518 56.400 0.009 0.000 0.886 208 E CB 0.157 29.862 29.700 0.008 0.000 0.866 208 E HN 0.294 nan 8.360 nan 0.000 0.493 209 T N -2.222 112.346 114.554 0.024 0.000 3.040 209 T HA 0.134 4.484 4.350 -0.000 0.000 0.266 209 T C 0.799 175.533 174.700 0.058 0.000 1.005 209 T CA -0.399 61.721 62.100 0.034 0.000 0.906 209 T CB 0.315 69.203 68.868 0.032 0.000 1.082 209 T HN -0.108 nan 8.240 nan 0.000 0.531 210 M N 1.306 120.943 119.600 0.061 0.000 2.393 210 M HA -0.148 4.332 4.480 -0.000 0.000 0.201 210 M C -0.361 176.067 176.300 0.214 0.000 0.403 210 M CA 0.796 56.161 55.300 0.108 0.000 0.471 210 M CB -2.535 30.140 32.600 0.124 0.000 1.669 210 M HN 0.613 nan 8.290 nan 0.000 0.864 211 E N -0.485 119.807 120.200 0.153 0.000 2.264 211 E HA 0.782 5.132 4.350 -0.000 0.000 0.260 211 E C 0.030 176.730 176.600 0.167 0.000 0.961 211 E CA -0.459 56.057 56.400 0.194 0.000 0.834 211 E CB 1.634 31.397 29.700 0.105 0.000 1.230 211 E HN 0.355 nan 8.360 nan 0.000 0.412 212 A N 1.457 124.395 122.820 0.196 0.000 2.586 212 A HA 0.382 4.702 4.320 -0.000 0.000 0.320 212 A C -0.875 176.769 177.584 0.100 0.000 1.281 212 A CA -0.542 51.587 52.037 0.152 0.000 0.775 212 A CB 0.229 19.376 19.000 0.246 0.000 1.122 212 A HN 0.249 nan 8.150 nan 0.000 0.470 213 V N 3.541 123.494 119.914 0.065 0.000 2.385 213 V HA 0.305 4.425 4.120 -0.000 0.000 0.269 213 V C -0.081 176.032 176.094 0.032 0.000 1.043 213 V CA 0.019 62.344 62.300 0.042 0.000 0.906 213 V CB 0.797 32.639 31.823 0.032 0.000 0.995 213 V HN 0.685 nan 8.190 nan 0.000 0.467 214 L N 5.056 126.294 121.223 0.025 0.000 2.337 214 L HA 0.480 4.820 4.340 -0.000 0.000 0.269 214 L C 0.159 177.035 176.870 0.009 0.000 1.018 214 L CA -0.520 54.331 54.840 0.018 0.000 0.876 214 L CB 1.203 43.273 42.059 0.017 0.000 1.236 214 L HN 0.546 nan 8.230 nan 0.000 0.436 215 E N 2.261 122.466 120.200 0.008 0.000 2.344 215 E HA -0.018 4.332 4.350 -0.000 0.000 0.270 215 E C -0.106 176.487 176.600 -0.011 0.000 1.021 215 E CA -0.076 56.323 56.400 -0.002 0.000 0.887 215 E CB 0.821 30.522 29.700 0.002 0.000 0.997 215 E HN 0.491 nan 8.360 nan 0.000 0.429 216 D N 1.468 121.848 120.400 -0.034 0.000 3.091 216 D HA -0.213 4.427 4.640 -0.000 0.000 0.215 216 D C -1.310 174.939 176.300 -0.084 0.000 1.214 216 D CA 0.984 54.941 54.000 -0.072 0.000 0.870 216 D CB -0.451 40.313 40.800 -0.061 0.000 0.874 216 D HN 0.521 nan 8.370 nan 0.000 0.393 217 A N 1.972 124.735 122.820 -0.097 0.000 2.347 217 A HA 0.804 5.124 4.320 -0.000 0.000 0.301 217 A C -0.614 176.870 177.584 -0.166 0.000 1.163 217 A CA -0.754 51.256 52.037 -0.045 0.000 0.860 217 A CB 0.852 19.869 19.000 0.028 0.000 1.367 217 A HN 0.212 nan 8.150 nan 0.000 0.461 218 F N -0.325 119.616 119.950 -0.014 0.000 2.421 218 F HA 0.574 5.101 4.527 -0.000 0.000 0.337 218 F C -0.196 175.594 175.800 -0.017 0.000 1.105 218 F CA -0.228 57.763 58.000 -0.015 0.000 1.049 218 F CB 1.655 40.645 39.000 -0.015 0.000 1.139 218 F HN 0.169 nan 8.300 nan 0.000 0.479 219 I N 4.361 125.009 120.570 0.130 0.000 2.328 219 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 219 I C -0.763 175.393 176.117 0.065 0.000 1.012 219 I CA -0.406 60.938 61.300 0.073 0.000 1.195 219 I CB 1.258 39.275 38.000 0.028 0.000 1.350 219 I HN 0.326 nan 8.210 nan 0.000 0.464 220 L N 8.712 129.965 121.223 0.049 0.000 2.312 220 L HA 0.466 4.806 4.340 -0.000 0.000 0.287 220 L C -0.351 176.518 176.870 -0.003 0.000 1.091 220 L CA 0.288 55.142 54.840 0.023 0.000 0.846 220 L CB -0.144 41.923 42.059 0.013 0.000 1.219 220 L HN 0.404 nan 8.230 nan 0.000 0.439 221 I N 6.377 126.933 120.570 -0.025 0.000 2.269 221 I HA 0.224 4.394 4.170 -0.000 0.000 0.293 221 I C -0.581 175.495 176.117 -0.069 0.000 1.106 221 I CA -0.456 60.811 61.300 -0.055 0.000 1.248 221 I CB 0.607 38.559 38.000 -0.080 0.000 1.444 221 I HN 0.241 nan 8.210 nan 0.000 0.497 222 V N 6.276 126.156 119.914 -0.056 0.000 2.384 222 V HA 0.149 4.269 4.120 -0.000 0.000 0.287 222 V C 1.032 177.088 176.094 -0.064 0.000 1.020 222 V CA -0.463 61.805 62.300 -0.053 0.000 0.850 222 V CB 1.646 33.452 31.823 -0.028 0.000 0.987 222 V HN 0.772 nan 8.190 nan 0.000 0.436 223 E N 4.920 125.077 120.200 -0.072 0.000 2.006 223 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 223 E C 1.024 177.587 176.600 -0.061 0.000 0.993 223 E CA 0.943 57.298 56.400 -0.074 0.000 0.808 223 E CB 0.161 29.818 29.700 -0.071 0.000 0.764 223 E HN 0.787 nan 8.360 nan 0.000 0.449 224 K N 1.070 121.445 120.400 -0.042 0.000 2.188 224 K HA 0.079 4.399 4.320 -0.000 0.000 0.246 224 K C 0.321 176.901 176.600 -0.033 0.000 1.026 224 K CA -0.316 55.951 56.287 -0.034 0.000 0.871 224 K CB 0.466 32.956 32.500 -0.016 0.000 1.042 224 K HN -0.134 nan 8.250 nan 0.000 0.509 225 K N -0.323 120.060 120.400 -0.028 0.000 2.332 225 K HA 0.231 4.551 4.320 -0.000 0.000 0.246 225 K C -0.642 175.954 176.600 -0.006 0.000 1.066 225 K CA -0.492 55.783 56.287 -0.020 0.000 0.898 225 K CB 0.567 33.056 32.500 -0.018 0.000 1.192 225 K HN 0.319 nan 8.250 nan 0.000 0.509 226 V N 1.247 121.164 119.914 0.004 0.000 2.624 226 V HA 0.046 4.166 4.120 -0.000 0.000 0.294 226 V C -0.185 175.921 176.094 0.019 0.000 1.077 226 V CA -0.428 61.879 62.300 0.012 0.000 0.905 226 V CB 1.425 33.259 31.823 0.017 0.000 1.025 226 V HN 0.975 nan 8.190 nan 0.000 0.440 227 S N 2.270 117.979 115.700 0.015 0.000 2.648 227 S HA 0.156 4.626 4.470 -0.000 0.000 0.270 227 S C 0.360 174.968 174.600 0.013 0.000 1.082 227 S CA -0.034 58.176 58.200 0.017 0.000 1.116 227 S CB 0.124 63.332 63.200 0.013 0.000 1.040 227 S HN 0.670 nan 8.310 nan 0.000 0.572 228 N N 2.013 120.719 118.700 0.010 0.000 2.420 228 N HA 0.368 5.108 4.740 -0.000 0.000 0.249 228 N C 1.019 176.534 175.510 0.007 0.000 1.033 228 N CA -0.212 52.842 53.050 0.007 0.000 0.944 228 N CB 1.275 39.766 38.487 0.005 0.000 1.113 228 N HN -0.012 nan 8.380 nan 0.000 0.502 229 V N 4.397 124.314 119.914 0.006 0.000 2.380 229 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 229 V C 2.327 178.421 176.094 0.001 0.000 1.063 229 V CA 1.707 64.010 62.300 0.005 0.000 1.055 229 V CB -0.681 31.144 31.823 0.002 0.000 0.657 229 V HN 0.681 nan 8.190 nan 0.000 0.455 230 R N 0.245 120.746 120.500 0.000 0.000 2.148 230 R HA -0.252 4.088 4.340 -0.000 0.000 0.230 230 R C 2.320 178.619 176.300 -0.001 0.000 1.120 230 R CA 2.250 58.349 56.100 -0.002 0.000 0.902 230 R CB -0.705 29.595 30.300 -0.001 0.000 0.839 230 R HN 0.586 nan 8.270 nan 0.000 0.431 231 E N 0.657 120.858 120.200 0.001 0.000 2.164 231 E HA -0.270 4.080 4.350 -0.000 0.000 0.206 231 E C 2.158 178.759 176.600 0.002 0.000 1.032 231 E CA 1.639 58.041 56.400 0.003 0.000 0.832 231 E CB -0.304 29.400 29.700 0.007 0.000 0.742 231 E HN 0.329 nan 8.360 nan 0.000 0.460 232 L N 0.345 121.568 121.223 0.001 0.000 1.976 232 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 232 L C 2.599 179.462 176.870 -0.011 0.000 1.071 232 L CA 1.006 55.844 54.840 -0.003 0.000 0.746 232 L CB -0.615 41.444 42.059 -0.000 0.000 0.890 232 L HN 0.191 nan 8.230 nan 0.000 0.432 233 L N -0.601 120.616 121.223 -0.010 0.000 2.119 233 L HA -0.292 4.048 4.340 -0.000 0.000 0.226 233 L C -0.233 176.624 176.870 -0.021 0.000 1.093 233 L CA 1.935 56.766 54.840 -0.015 0.000 0.806 233 L CB -2.303 39.749 42.059 -0.012 0.000 0.902 233 L HN 0.233 nan 8.230 nan 0.000 0.444 234 P HA -0.248 nan 4.420 nan 0.000 0.214 234 P C 1.783 179.064 177.300 -0.033 0.000 1.172 234 P CA 2.168 65.255 63.100 -0.021 0.000 0.925 234 P CB -0.198 31.494 31.700 -0.013 0.000 0.793 235 I N -4.506 116.044 120.570 -0.034 0.000 2.617 235 I HA -0.073 4.097 4.170 -0.000 0.000 0.256 235 I C 2.110 178.182 176.117 -0.074 0.000 1.167 235 I CA 1.225 62.492 61.300 -0.055 0.000 1.469 235 I CB -1.089 36.885 38.000 -0.044 0.000 1.098 235 I HN -0.129 nan 8.210 nan 0.000 0.436 236 L N 1.348 122.539 121.223 -0.054 0.000 2.127 236 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 236 L C 2.707 179.539 176.870 -0.065 0.000 1.089 236 L CA 1.569 56.375 54.840 -0.057 0.000 0.757 236 L CB -0.466 41.572 42.059 -0.036 0.000 0.899 236 L HN 0.337 nan 8.230 nan 0.000 0.434 237 E N -0.448 119.718 120.200 -0.057 0.000 2.028 237 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 237 E C 2.164 178.718 176.600 -0.076 0.000 0.984 237 E CA 0.911 57.278 56.400 -0.055 0.000 0.800 237 E CB -0.126 29.550 29.700 -0.041 0.000 0.758 237 E HN 0.562 nan 8.360 nan 0.000 0.448 238 Q N 0.576 120.323 119.800 -0.089 0.000 2.152 238 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 238 Q C 2.350 178.240 176.000 -0.184 0.000 0.985 238 Q CA 1.525 57.258 55.803 -0.117 0.000 0.863 238 Q CB -0.112 28.556 28.738 -0.116 0.000 0.904 238 Q HN 0.145 nan 8.270 nan 0.000 0.422 239 V N 0.692 120.477 119.914 -0.215 0.000 2.346 239 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 239 V C 2.291 178.279 176.094 -0.176 0.000 1.037 239 V CA 1.497 63.616 62.300 -0.301 0.000 1.029 239 V CB -1.005 30.655 31.823 -0.272 0.000 0.663 239 V HN 0.376 nan 8.190 nan 0.000 0.454 240 A N -0.507 122.248 122.820 -0.108 0.000 1.986 240 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 240 A C 2.139 179.692 177.584 -0.053 0.000 1.171 240 A CA 2.109 54.108 52.037 -0.062 0.000 0.640 240 A CB -0.505 18.468 19.000 -0.046 0.000 0.811 240 A HN 0.659 nan 8.150 nan 0.000 0.451 241 Q N -1.286 118.474 119.800 -0.066 0.000 2.378 241 Q HA -0.041 4.299 4.340 -0.000 0.000 0.205 241 Q C 1.627 177.601 176.000 -0.044 0.000 0.954 241 Q CA 1.285 57.059 55.803 -0.048 0.000 0.901 241 Q CB -0.070 28.639 28.738 -0.048 0.000 0.981 241 Q HN 0.675 nan 8.270 nan 0.000 0.483 242 T N -0.790 113.720 114.554 -0.073 0.000 3.023 242 T HA 0.012 4.362 4.350 -0.000 0.000 0.266 242 T C 1.342 176.059 174.700 0.029 0.000 1.093 242 T CA 0.909 62.987 62.100 -0.037 0.000 1.129 242 T CB -0.014 68.774 68.868 -0.134 0.000 0.899 242 T HN 0.584 nan 8.240 nan 0.000 0.491 243 G N 1.570 110.378 108.800 0.013 0.000 2.162 243 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 243 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 243 G C 0.047 174.987 174.900 0.068 0.000 0.976 243 G CA 0.035 45.155 45.100 0.033 0.000 0.655 243 G HN 0.380 nan 8.290 nan 0.000 0.533 244 K N 0.626 121.094 120.400 0.115 0.000 2.138 244 K HA 0.556 4.876 4.320 -0.000 0.000 0.263 244 K C -2.283 174.419 176.600 0.170 0.000 0.965 244 K CA -2.226 54.180 56.287 0.199 0.000 0.868 244 K CB 1.478 34.262 32.500 0.473 0.000 1.083 244 K HN 0.026 nan 8.250 nan 0.000 0.443 245 P HA 0.171 nan 4.420 nan 0.000 0.271 245 P C -0.850 176.529 177.300 0.132 0.000 1.244 245 P CA -0.482 62.671 63.100 0.089 0.000 0.793 245 P CB 0.464 32.196 31.700 0.054 0.000 0.984 246 L N 1.075 122.334 121.223 0.059 0.000 2.455 246 L HA 0.610 4.950 4.340 -0.000 0.000 0.264 246 L C -1.870 174.998 176.870 -0.003 0.000 0.968 246 L CA -0.821 54.057 54.840 0.064 0.000 0.827 246 L CB 1.925 44.001 42.059 0.027 0.000 1.317 246 L HN 0.104 nan 8.230 nan 0.000 0.407 247 L N 5.856 127.093 121.223 0.023 0.000 2.305 247 L HA 0.669 5.009 4.340 -0.000 0.000 0.284 247 L C -1.288 175.587 176.870 0.008 0.000 1.013 247 L CA -0.048 54.792 54.840 -0.001 0.000 0.819 247 L CB 1.258 43.336 42.059 0.033 0.000 1.227 247 L HN 0.557 nan 8.230 nan 0.000 0.417 248 I N 6.671 127.230 120.570 -0.018 0.000 2.355 248 I HA 0.380 4.550 4.170 -0.000 0.000 0.288 248 I C -0.568 175.565 176.117 0.027 0.000 0.999 248 I CA -0.326 60.974 61.300 -0.001 0.000 1.163 248 I CB 1.381 39.370 38.000 -0.020 0.000 1.316 248 I HN 0.510 nan 8.210 nan 0.000 0.454 249 I N 6.456 127.041 120.570 0.025 0.000 2.371 249 I HA 0.602 4.772 4.170 -0.000 0.000 0.282 249 I C 0.057 176.162 176.117 -0.020 0.000 1.031 249 I CA -0.129 61.182 61.300 0.019 0.000 1.180 249 I CB 1.205 39.213 38.000 0.014 0.000 1.336 249 I HN 0.629 nan 8.210 nan 0.000 0.467 250 A N 4.262 127.074 122.820 -0.013 0.000 2.515 250 A HA 0.403 4.723 4.320 -0.000 0.000 0.296 250 A C 0.870 178.429 177.584 -0.041 0.000 1.094 250 A CA -0.568 51.451 52.037 -0.030 0.000 0.718 250 A CB 1.470 20.463 19.000 -0.011 0.000 1.307 250 A HN 0.765 nan 8.150 nan 0.000 0.408 251 E N -0.329 119.832 120.200 -0.064 0.000 2.236 251 E HA -0.249 4.101 4.350 -0.000 0.000 0.205 251 E C -0.164 176.399 176.600 -0.062 0.000 1.028 251 E CA 2.154 58.500 56.400 -0.090 0.000 0.827 251 E CB 0.081 29.726 29.700 -0.092 0.000 0.735 251 E HN 0.657 nan 8.360 nan 0.000 0.470 252 D N -2.626 117.761 120.400 -0.022 0.000 2.898 252 D HA 0.067 4.707 4.640 -0.000 0.000 0.254 252 D C -1.984 174.335 176.300 0.032 0.000 1.107 252 D CA -0.417 53.590 54.000 0.012 0.000 0.729 252 D CB 1.334 42.135 40.800 0.001 0.000 1.734 252 D HN -0.128 nan 8.370 nan 0.000 0.452 253 V N 3.558 123.512 119.914 0.066 0.000 2.304 253 V HA 0.484 4.604 4.120 -0.000 0.000 0.278 253 V C 0.172 176.315 176.094 0.081 0.000 1.018 253 V CA -0.438 61.910 62.300 0.081 0.000 0.814 253 V CB 0.941 32.840 31.823 0.127 0.000 1.021 253 V HN 0.512 nan 8.190 nan 0.000 0.440 254 E N 3.306 123.539 120.200 0.055 0.000 2.428 254 E HA 0.849 5.199 4.350 -0.000 0.000 0.259 254 E C 0.566 177.188 176.600 0.036 0.000 0.930 254 E CA -0.370 56.057 56.400 0.045 0.000 0.823 254 E CB 1.835 31.555 29.700 0.032 0.000 1.403 254 E HN 0.774 nan 8.360 nan 0.000 0.415 255 G N 1.295 110.112 108.800 0.027 0.000 2.582 255 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.288 255 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.288 255 G C 0.768 175.679 174.900 0.017 0.000 1.247 255 G CA 0.847 45.958 45.100 0.019 0.000 0.972 255 G HN 0.874 nan 8.290 nan 0.000 0.557 256 E N 0.266 120.474 120.200 0.012 0.000 2.150 256 E HA 0.134 4.484 4.350 -0.000 0.000 0.193 256 E C 2.748 179.358 176.600 0.016 0.000 0.985 256 E CA 1.876 58.281 56.400 0.009 0.000 0.814 256 E CB -0.382 29.321 29.700 0.004 0.000 0.752 256 E HN 1.151 nan 8.360 nan 0.000 0.466 257 A N 1.822 124.656 122.820 0.023 0.000 1.892 257 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 257 A C 2.262 179.878 177.584 0.053 0.000 1.188 257 A CA 1.652 53.707 52.037 0.031 0.000 0.631 257 A CB -0.717 18.301 19.000 0.030 0.000 0.822 257 A HN 0.325 nan 8.150 nan 0.000 0.447 258 L N -0.395 120.868 121.223 0.067 0.000 2.027 258 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 258 L C 2.696 179.616 176.870 0.083 0.000 1.074 258 L CA 2.216 57.123 54.840 0.112 0.000 0.745 258 L CB -0.903 41.218 42.059 0.102 0.000 0.898 258 L HN 0.346 nan 8.230 nan 0.000 0.433 259 A N -1.378 121.460 122.820 0.030 0.000 1.948 259 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 259 A C 2.245 179.827 177.584 -0.004 0.000 1.177 259 A CA 2.492 54.523 52.037 -0.011 0.000 0.636 259 A CB -1.306 17.683 19.000 -0.019 0.000 0.815 259 A HN 0.554 nan 8.150 nan 0.000 0.449 260 T N 0.477 115.041 114.554 0.018 0.000 2.614 260 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 260 T C 1.833 176.555 174.700 0.036 0.000 1.055 260 T CA 1.570 63.679 62.100 0.016 0.000 1.162 260 T CB -0.521 68.356 68.868 0.015 0.000 0.863 260 T HN 0.383 nan 8.240 nan 0.000 0.414 261 L N 0.943 122.208 121.223 0.071 0.000 2.089 261 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 261 L C 2.657 179.636 176.870 0.182 0.000 1.079 261 L CA 1.024 55.926 54.840 0.103 0.000 0.758 261 L CB -0.929 41.205 42.059 0.125 0.000 0.891 261 L HN 0.154 nan 8.230 nan 0.000 0.433 262 V N -0.830 119.202 119.914 0.196 0.000 2.261 262 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 262 V C 2.394 178.485 176.094 -0.004 0.000 1.047 262 V CA 1.780 64.148 62.300 0.113 0.000 1.015 262 V CB -0.419 31.326 31.823 -0.130 0.000 0.642 262 V HN 0.228 nan 8.190 nan 0.000 0.446 263 V N 0.681 120.568 119.914 -0.045 0.000 2.407 263 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 263 V C 2.240 178.328 176.094 -0.011 0.000 1.055 263 V CA 2.021 64.290 62.300 -0.052 0.000 1.049 263 V CB -0.927 30.866 31.823 -0.050 0.000 0.662 263 V HN 0.571 nan 8.190 nan 0.000 0.455 264 N N 0.450 119.156 118.700 0.010 0.000 2.216 264 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 264 N C 1.888 177.415 175.510 0.028 0.000 1.017 264 N CA 1.304 54.362 53.050 0.013 0.000 0.861 264 N CB -0.152 38.340 38.487 0.009 0.000 0.986 264 N HN 0.452 nan 8.380 nan 0.000 0.428 265 K N 1.973 122.408 120.400 0.058 0.000 1.985 265 K HA 0.004 4.324 4.320 -0.000 0.000 0.210 265 K C 1.972 178.616 176.600 0.073 0.000 1.047 265 K CA 1.112 57.450 56.287 0.085 0.000 0.932 265 K CB -0.682 31.932 32.500 0.190 0.000 0.716 265 K HN 0.075 nan 8.250 nan 0.000 0.439 266 L N 0.191 121.454 121.223 0.066 0.000 2.265 266 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 266 L C 2.574 179.461 176.870 0.029 0.000 1.117 266 L CA 0.941 55.811 54.840 0.051 0.000 0.782 266 L CB -0.296 41.776 42.059 0.021 0.000 0.914 266 L HN 0.158 nan 8.230 nan 0.000 0.441 267 R N 0.001 120.512 120.500 0.018 0.000 2.062 267 R HA -0.007 4.333 4.340 -0.000 0.000 0.226 267 R C 1.537 177.845 176.300 0.014 0.000 1.125 267 R CA 1.458 57.565 56.100 0.010 0.000 0.966 267 R CB -0.176 30.126 30.300 0.003 0.000 0.861 267 R HN 0.327 nan 8.270 nan 0.000 0.433 268 G N -2.606 106.204 108.800 0.018 0.000 2.296 268 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.188 268 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.188 268 G C 1.009 175.915 174.900 0.011 0.000 1.000 268 G CA 0.369 45.479 45.100 0.016 0.000 0.672 268 G HN 0.313 nan 8.290 nan 0.000 0.483 269 T N -0.115 114.444 114.554 0.008 0.000 2.570 269 T HA 0.044 4.394 4.350 -0.000 0.000 0.266 269 T C 0.692 175.392 174.700 -0.000 0.000 1.071 269 T CA 1.900 64.001 62.100 0.002 0.000 1.172 269 T CB -0.014 68.853 68.868 -0.001 0.000 0.864 269 T HN 0.785 nan 8.240 nan 0.000 0.421 270 L N 0.581 121.805 121.223 0.002 0.000 2.455 270 L HA 0.487 4.827 4.340 -0.000 0.000 0.264 270 L C -0.723 176.147 176.870 0.001 0.000 0.968 270 L CA -0.733 54.105 54.840 -0.004 0.000 0.827 270 L CB 2.116 44.165 42.059 -0.017 0.000 1.317 270 L HN 0.130 nan 8.230 nan 0.000 0.407 271 S N 4.498 120.199 115.700 0.002 0.000 2.399 271 S HA 0.765 5.235 4.470 -0.000 0.000 0.301 271 S C -0.286 174.295 174.600 -0.031 0.000 1.093 271 S CA -0.015 58.186 58.200 0.002 0.000 1.077 271 S CB 0.326 63.536 63.200 0.016 0.000 0.980 271 S HN 0.992 nan 8.310 nan 0.000 0.494 272 V N -0.474 119.388 119.914 -0.087 0.000 3.165 272 V HA 1.069 5.189 4.120 -0.000 0.000 0.309 272 V C -0.407 175.406 176.094 -0.468 0.000 1.267 272 V CA -0.876 61.302 62.300 -0.203 0.000 1.067 272 V CB 1.053 32.754 31.823 -0.204 0.000 1.082 272 V HN 1.459 nan 8.190 nan 0.000 0.451 273 A N -0.067 122.371 122.820 -0.637 0.000 2.555 273 A HA 0.973 5.293 4.320 -0.000 0.000 0.297 273 A C -0.588 176.643 177.584 -0.587 0.000 1.060 273 A CA -0.110 51.311 52.037 -1.027 0.000 0.710 273 A CB 1.185 20.013 19.000 -0.286 0.000 1.282 273 A HN 2.494 nan 8.150 nan 0.000 0.399 274 A N 0.982 123.528 122.820 -0.457 0.000 2.324 274 A HA 0.849 5.169 4.320 -0.000 0.000 0.330 274 A C -0.752 176.991 177.584 0.265 0.000 1.165 274 A CA -0.569 51.513 52.037 0.074 0.000 0.813 274 A CB 1.220 20.375 19.000 0.258 0.000 1.197 274 A HN 1.675 nan 8.150 nan 0.000 0.484 275 V N 2.476 122.508 119.914 0.196 0.000 2.808 275 V HA 0.285 4.405 4.120 -0.000 0.000 0.308 275 V C -0.298 175.892 176.094 0.160 0.000 1.099 275 V CA -0.950 61.487 62.300 0.229 0.000 0.920 275 V CB 2.251 34.246 31.823 0.287 0.000 1.014 275 V HN 0.995 nan 8.190 nan 0.000 0.425 276 K N 2.267 122.752 120.400 0.141 0.000 2.258 276 K HA 0.617 4.937 4.320 -0.000 0.000 0.264 276 K C 0.453 177.034 176.600 -0.032 0.000 1.007 276 K CA -0.033 56.288 56.287 0.056 0.000 0.941 276 K CB 0.828 33.365 32.500 0.062 0.000 0.966 276 K HN 0.879 nan 8.250 nan 0.000 0.480 277 A N 3.802 126.555 122.820 -0.113 0.000 2.536 277 A HA 0.042 4.362 4.320 -0.000 0.000 0.234 277 A C -1.301 176.111 177.584 -0.287 0.000 1.076 277 A CA -0.802 51.096 52.037 -0.232 0.000 0.769 277 A CB -0.406 18.482 19.000 -0.186 0.000 1.020 277 A HN 0.581 nan 8.150 nan 0.000 0.508 278 P HA -0.060 nan 4.420 nan 0.000 0.202 278 P C 1.294 178.590 177.300 -0.005 0.000 1.027 278 P CA 1.235 64.131 63.100 -0.340 0.000 0.791 278 P CB -0.465 31.013 31.700 -0.370 0.000 0.612 279 G N -1.033 107.797 108.800 0.051 0.000 2.467 279 G HA2 0.253 4.213 3.960 -0.000 0.000 0.243 279 G HA3 0.253 4.213 3.960 -0.000 0.000 0.243 279 G C -0.302 174.833 174.900 0.392 0.000 1.521 279 G CA 0.078 45.298 45.100 0.201 0.000 1.055 279 G HN 0.220 nan 8.290 nan 0.000 0.553 280 F N -1.972 117.972 119.950 -0.011 0.000 2.876 280 F HA 0.615 5.142 4.527 -0.000 0.000 0.358 280 F C 1.310 177.107 175.800 -0.006 0.000 1.209 280 F CA -0.023 57.974 58.000 -0.006 0.000 1.051 280 F CB 0.608 39.613 39.000 0.009 0.000 1.474 280 F HN 0.982 nan 8.300 nan 0.000 0.521 281 G N 0.952 109.860 108.800 0.180 0.000 2.582 281 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.369 281 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.369 281 G C 0.372 175.294 174.900 0.037 0.000 1.370 281 G CA 0.784 45.938 45.100 0.090 0.000 0.955 281 G HN 0.613 nan 8.290 nan 0.000 0.525 282 D N 0.371 120.791 120.400 0.034 0.000 2.324 282 D HA 0.059 4.699 4.640 -0.000 0.000 0.235 282 D C 2.121 178.429 176.300 0.013 0.000 1.095 282 D CA 0.427 54.435 54.000 0.013 0.000 0.871 282 D CB 0.226 41.034 40.800 0.013 0.000 0.906 282 D HN 0.473 nan 8.370 nan 0.000 0.522 283 R N 1.065 121.583 120.500 0.030 0.000 2.105 283 R HA 0.005 4.345 4.340 -0.000 0.000 0.214 283 R C 2.221 178.530 176.300 0.016 0.000 1.091 283 R CA 0.273 56.390 56.100 0.029 0.000 1.007 283 R CB 0.250 30.580 30.300 0.050 0.000 0.912 283 R HN 0.050 nan 8.270 nan 0.000 0.450 284 R N 0.386 120.893 120.500 0.011 0.000 2.148 284 R HA -0.005 4.335 4.340 -0.000 0.000 0.223 284 R C 1.607 177.870 176.300 -0.062 0.000 1.088 284 R CA 1.008 57.087 56.100 -0.034 0.000 0.985 284 R CB -0.167 30.096 30.300 -0.062 0.000 0.880 284 R HN 0.103 nan 8.270 nan 0.000 0.451 285 K N 0.876 121.248 120.400 -0.048 0.000 1.985 285 K HA -0.088 4.232 4.320 -0.000 0.000 0.210 285 K C 2.045 178.614 176.600 -0.051 0.000 1.047 285 K CA 1.445 57.699 56.287 -0.055 0.000 0.932 285 K CB -0.034 32.442 32.500 -0.040 0.000 0.716 285 K HN 0.166 nan 8.250 nan 0.000 0.439 286 E N 0.544 120.726 120.200 -0.030 0.000 2.153 286 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 286 E C 1.951 178.537 176.600 -0.024 0.000 0.988 286 E CA 1.163 57.549 56.400 -0.023 0.000 0.811 286 E CB -0.023 29.673 29.700 -0.007 0.000 0.746 286 E HN 0.376 nan 8.360 nan 0.000 0.466 287 M N -0.120 119.466 119.600 -0.022 0.000 2.193 287 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 287 M C 2.379 178.626 176.300 -0.088 0.000 1.071 287 M CA 0.800 56.093 55.300 -0.012 0.000 1.140 287 M CB -0.171 32.439 32.600 0.017 0.000 1.369 287 M HN 0.066 nan 8.290 nan 0.000 0.423 288 L N -0.071 121.084 121.223 -0.114 0.000 2.042 288 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 288 L C 2.639 179.426 176.870 -0.138 0.000 1.076 288 L CA 1.161 55.913 54.840 -0.145 0.000 0.749 288 L CB -0.753 41.227 42.059 -0.131 0.000 0.893 288 L HN 0.256 nan 8.230 nan 0.000 0.432 289 K N 0.034 120.369 120.400 -0.108 0.000 2.103 289 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 289 K C 1.637 178.178 176.600 -0.098 0.000 1.048 289 K CA 1.607 57.837 56.287 -0.095 0.000 0.930 289 K CB -0.238 32.222 32.500 -0.067 0.000 0.716 289 K HN 0.314 nan 8.250 nan 0.000 0.444 290 D N 0.478 120.816 120.400 -0.103 0.000 2.084 290 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 290 D C 1.958 178.111 176.300 -0.245 0.000 0.985 290 D CA 0.838 54.769 54.000 -0.115 0.000 0.826 290 D CB -0.191 40.586 40.800 -0.037 0.000 0.978 290 D HN 0.157 nan 8.370 nan 0.000 0.456 291 I N 1.026 121.381 120.570 -0.360 0.000 2.194 291 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 291 I C 2.399 178.384 176.117 -0.219 0.000 1.093 291 I CA 1.125 62.180 61.300 -0.407 0.000 1.355 291 I CB -0.435 37.390 38.000 -0.291 0.000 1.046 291 I HN -0.055 nan 8.210 nan 0.000 0.413 292 A N 1.263 123.987 122.820 -0.160 0.000 1.834 292 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 292 A C 2.610 180.138 177.584 -0.093 0.000 1.203 292 A CA 2.300 54.270 52.037 -0.113 0.000 0.621 292 A CB -1.245 17.690 19.000 -0.108 0.000 0.841 292 A HN 0.431 nan 8.150 nan 0.000 0.446 293 A N -1.029 121.740 122.820 -0.085 0.000 2.042 293 A HA -0.066 4.254 4.320 -0.000 0.000 0.222 293 A C 2.169 179.720 177.584 -0.055 0.000 1.167 293 A CA 2.143 54.145 52.037 -0.058 0.000 0.649 293 A CB -0.873 18.100 19.000 -0.044 0.000 0.809 293 A HN 0.496 nan 8.150 nan 0.000 0.457 294 V N -0.248 119.616 119.914 -0.084 0.000 2.535 294 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 294 V C 2.753 178.815 176.094 -0.054 0.000 1.045 294 V CA 2.180 64.441 62.300 -0.064 0.000 1.058 294 V CB -0.902 30.860 31.823 -0.103 0.000 0.689 294 V HN 0.807 nan 8.190 nan 0.000 0.461 295 T N -3.047 111.464 114.554 -0.070 0.000 3.051 295 T HA 0.323 4.673 4.350 -0.000 0.000 0.255 295 T C 1.655 176.324 174.700 -0.052 0.000 1.085 295 T CA 1.074 63.139 62.100 -0.058 0.000 1.109 295 T CB 0.696 69.530 68.868 -0.057 0.000 0.921 295 T HN 0.825 nan 8.240 nan 0.000 0.488 296 G N 0.896 109.668 108.800 -0.047 0.000 2.232 296 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.226 296 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.226 296 G C 0.620 175.504 174.900 -0.027 0.000 0.996 296 G CA -0.031 45.049 45.100 -0.034 0.000 0.626 296 G HN 0.956 nan 8.290 nan 0.000 0.509 297 G N -0.452 108.331 108.800 -0.029 0.000 2.647 297 G HA2 0.482 4.442 3.960 -0.000 0.000 0.271 297 G HA3 0.482 4.442 3.960 -0.000 0.000 0.271 297 G C 0.004 174.877 174.900 -0.044 0.000 1.300 297 G CA 1.036 46.125 45.100 -0.017 0.000 0.997 297 G HN 0.756 nan 8.290 nan 0.000 0.533 298 T N -0.559 113.960 114.554 -0.058 0.000 2.856 298 T HA 0.416 4.766 4.350 -0.000 0.000 0.283 298 T C -0.090 174.494 174.700 -0.193 0.000 1.008 298 T CA -0.368 61.657 62.100 -0.126 0.000 0.997 298 T CB 1.826 70.622 68.868 -0.120 0.000 0.992 298 T HN 0.325 nan 8.240 nan 0.000 0.454 299 V N 4.210 123.969 119.914 -0.257 0.000 2.427 299 V HA 0.230 4.350 4.120 -0.000 0.000 0.268 299 V C 0.747 176.593 176.094 -0.414 0.000 1.046 299 V CA -0.368 61.775 62.300 -0.262 0.000 0.970 299 V CB 0.211 31.907 31.823 -0.212 0.000 1.001 299 V HN 0.814 nan 8.190 nan 0.000 0.476 300 I N 4.355 124.751 120.570 -0.290 0.000 2.397 300 I HA 0.022 4.192 4.170 -0.000 0.000 0.291 300 I C 0.717 176.734 176.117 -0.167 0.000 1.125 300 I CA 0.313 61.459 61.300 -0.257 0.000 1.961 300 I CB -0.434 37.521 38.000 -0.075 0.000 1.508 300 I HN 0.584 nan 8.210 nan 0.000 0.886 301 S N 3.612 119.164 115.700 -0.247 0.000 2.457 301 S HA -0.006 4.464 4.470 -0.000 0.000 0.294 301 S C 1.489 176.099 174.600 0.018 0.000 1.201 301 S CA -0.462 57.676 58.200 -0.104 0.000 1.112 301 S CB 0.202 63.334 63.200 -0.113 0.000 1.018 301 S HN 0.674 nan 8.310 nan 0.000 0.511 302 E N 2.456 122.666 120.200 0.016 0.000 2.209 302 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 302 E C 0.782 177.414 176.600 0.053 0.000 0.993 302 E CA 1.542 57.968 56.400 0.043 0.000 0.819 302 E CB -0.205 29.505 29.700 0.015 0.000 0.745 302 E HN 0.758 nan 8.360 nan 0.000 0.477 303 E N 0.288 120.512 120.200 0.039 0.000 2.465 303 E HA 0.126 4.476 4.350 -0.000 0.000 0.195 303 E C 1.196 177.834 176.600 0.062 0.000 1.028 303 E CA -0.082 56.342 56.400 0.040 0.000 0.899 303 E CB 0.547 30.258 29.700 0.018 0.000 1.032 303 E HN 0.289 nan 8.360 nan 0.000 0.468 304 L N 0.169 121.460 121.223 0.113 0.000 2.701 304 L HA 0.489 4.829 4.340 -0.000 0.000 0.238 304 L C 0.910 177.931 176.870 0.250 0.000 1.106 304 L CA 1.080 56.023 54.840 0.172 0.000 0.898 304 L CB 0.592 42.755 42.059 0.174 0.000 1.188 304 L HN 0.272 nan 8.230 nan 0.000 0.508 305 G N -0.112 108.830 108.800 0.237 0.000 2.683 305 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.234 305 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.234 305 G C -0.539 174.396 174.900 0.057 0.000 1.135 305 G CA -0.156 45.013 45.100 0.115 0.000 0.975 305 G HN 0.092 nan 8.290 nan 0.000 0.511 306 F N -0.156 119.788 119.950 -0.010 0.000 2.565 306 F HA 0.659 5.186 4.527 -0.000 0.000 0.313 306 F C 0.408 176.202 175.800 -0.011 0.000 1.091 306 F CA -0.936 57.058 58.000 -0.010 0.000 0.915 306 F CB 2.230 41.224 39.000 -0.011 0.000 1.208 306 F HN -0.016 nan 8.300 nan 0.000 0.453 307 K N 2.654 123.132 120.400 0.130 0.000 2.244 307 K HA 0.308 4.628 4.320 -0.000 0.000 0.260 307 K C 0.521 177.172 176.600 0.085 0.000 0.951 307 K CA -0.732 55.600 56.287 0.076 0.000 0.826 307 K CB 2.125 34.639 32.500 0.023 0.000 1.108 307 K HN 0.552 nan 8.250 nan 0.000 0.433 308 L N 4.555 125.816 121.223 0.063 0.000 2.042 308 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 308 L C 1.936 178.825 176.870 0.032 0.000 1.076 308 L CA 2.002 56.870 54.840 0.047 0.000 0.749 308 L CB -0.410 41.666 42.059 0.027 0.000 0.893 308 L HN 0.770 nan 8.230 nan 0.000 0.432 309 E N -1.520 118.693 120.200 0.022 0.000 2.153 309 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 309 E C 0.727 177.333 176.600 0.009 0.000 0.988 309 E CA 1.286 57.692 56.400 0.010 0.000 0.811 309 E CB -0.615 29.088 29.700 0.004 0.000 0.746 309 E HN 0.559 nan 8.360 nan 0.000 0.466 310 N N 1.189 119.899 118.700 0.017 0.000 2.346 310 N HA 0.200 4.939 4.740 -0.000 0.000 0.225 310 N C -0.365 175.167 175.510 0.036 0.000 1.144 310 N CA 0.318 53.374 53.050 0.011 0.000 0.837 310 N CB 0.767 39.248 38.487 -0.010 0.000 1.069 310 N HN 0.198 nan 8.380 nan 0.000 0.487 311 A N 0.244 123.092 122.820 0.046 0.000 2.304 311 A HA 0.632 4.952 4.320 -0.000 0.000 0.271 311 A C 0.465 178.068 177.584 0.032 0.000 1.091 311 A CA 0.109 52.185 52.037 0.064 0.000 0.812 311 A CB 0.544 19.575 19.000 0.051 0.000 1.056 311 A HN 0.139 nan 8.150 nan 0.000 0.489 312 T N 0.601 115.178 114.554 0.039 0.000 2.883 312 T HA 0.421 4.771 4.350 -0.000 0.000 0.296 312 T C 1.029 175.732 174.700 0.006 0.000 1.117 312 T CA -0.693 61.415 62.100 0.014 0.000 1.006 312 T CB 1.155 70.039 68.868 0.027 0.000 1.191 312 T HN 0.403 nan 8.240 nan 0.000 0.508 313 L N 1.115 122.322 121.223 -0.027 0.000 2.362 313 L HA -0.064 4.276 4.340 -0.000 0.000 0.219 313 L C 2.698 179.614 176.870 0.077 0.000 1.134 313 L CA 1.051 55.868 54.840 -0.038 0.000 0.807 313 L CB -0.650 41.338 42.059 -0.118 0.000 0.927 313 L HN 0.837 nan 8.230 nan 0.000 0.447 314 S N 0.695 116.432 115.700 0.061 0.000 2.406 314 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 314 S C 1.585 176.234 174.600 0.081 0.000 1.020 314 S CA 0.691 58.935 58.200 0.074 0.000 0.965 314 S CB -0.289 62.944 63.200 0.055 0.000 0.798 314 S HN 0.597 nan 8.310 nan 0.000 0.488 315 M N 0.744 120.392 119.600 0.080 0.000 2.859 315 M HA 0.510 4.990 4.480 -0.000 0.000 0.297 315 M C -0.651 175.686 176.300 0.061 0.000 1.268 315 M CA -0.155 55.188 55.300 0.071 0.000 1.003 315 M CB -0.149 32.509 32.600 0.096 0.000 1.308 315 M HN 0.070 nan 8.290 nan 0.000 0.502 316 L N 1.018 122.305 121.223 0.107 0.000 2.331 316 L HA 0.766 5.106 4.340 -0.000 0.000 0.275 316 L C 0.612 177.551 176.870 0.115 0.000 1.022 316 L CA -0.838 54.090 54.840 0.148 0.000 0.812 316 L CB 1.908 44.156 42.059 0.314 0.000 1.257 316 L HN 0.437 nan 8.230 nan 0.000 0.435 317 G N 1.506 110.348 108.800 0.070 0.000 2.503 317 G HA2 0.478 4.438 3.960 -0.000 0.000 0.257 317 G HA3 0.478 4.438 3.960 -0.000 0.000 0.257 317 G C -0.741 174.131 174.900 -0.045 0.000 1.214 317 G CA -0.301 44.801 45.100 0.003 0.000 0.839 317 G HN 0.621 nan 8.290 nan 0.000 0.559 318 R N 0.138 120.571 120.500 -0.113 0.000 2.673 318 R HA 0.650 4.990 4.340 -0.000 0.000 0.281 318 R C -0.894 175.316 176.300 -0.150 0.000 0.991 318 R CA -0.478 55.484 56.100 -0.230 0.000 0.896 318 R CB 1.907 32.021 30.300 -0.309 0.000 1.201 318 R HN 0.824 nan 8.270 nan 0.000 0.457 319 A N 1.991 124.721 122.820 -0.150 0.000 2.572 319 A HA 0.248 4.568 4.320 -0.000 0.000 0.295 319 A C 0.100 177.631 177.584 -0.087 0.000 1.072 319 A CA -0.657 51.327 52.037 -0.090 0.000 0.691 319 A CB 1.832 20.801 19.000 -0.050 0.000 1.291 319 A HN 0.971 nan 8.150 nan 0.000 0.404 320 E N 0.240 120.404 120.200 -0.059 0.000 2.150 320 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 320 E C 0.723 177.301 176.600 -0.036 0.000 0.985 320 E CA 1.054 57.425 56.400 -0.049 0.000 0.814 320 E CB 0.151 29.831 29.700 -0.034 0.000 0.752 320 E HN 0.510 nan 8.360 nan 0.000 0.466 321 R N -1.519 118.964 120.500 -0.028 0.000 2.728 321 R HA 0.440 4.780 4.340 -0.000 0.000 0.274 321 R C -2.136 174.157 176.300 -0.011 0.000 1.030 321 R CA -0.674 55.416 56.100 -0.017 0.000 0.876 321 R CB 2.128 32.421 30.300 -0.011 0.000 1.259 321 R HN -0.048 nan 8.270 nan 0.000 0.468 322 V N 2.419 122.331 119.914 -0.003 0.000 2.697 322 V HA 0.431 4.551 4.120 -0.000 0.000 0.296 322 V C -1.017 175.081 176.094 0.008 0.000 1.140 322 V CA -0.703 61.596 62.300 -0.001 0.000 0.921 322 V CB 1.974 33.801 31.823 0.007 0.000 1.036 322 V HN 0.679 nan 8.190 nan 0.000 0.438 323 R N 4.774 125.272 120.500 -0.004 0.000 2.474 323 R HA 0.799 5.139 4.340 -0.000 0.000 0.295 323 R C -1.086 175.218 176.300 0.008 0.000 0.980 323 R CA -0.607 55.499 56.100 0.010 0.000 0.934 323 R CB 2.160 32.457 30.300 -0.005 0.000 1.101 323 R HN 0.590 nan 8.270 nan 0.000 0.469 324 I N 2.071 122.684 120.570 0.071 0.000 2.497 324 I HA 0.217 4.387 4.170 -0.000 0.000 0.284 324 I C -0.289 175.902 176.117 0.123 0.000 1.060 324 I CA -0.491 60.865 61.300 0.093 0.000 1.071 324 I CB 2.226 40.359 38.000 0.222 0.000 1.216 324 I HN 0.562 nan 8.210 nan 0.000 0.442 325 T N 3.490 117.994 114.554 -0.083 0.000 2.884 325 T HA 0.175 4.524 4.350 -0.000 0.000 0.277 325 T C 1.194 175.477 174.700 -0.695 0.000 0.976 325 T CA -0.744 61.263 62.100 -0.155 0.000 0.956 325 T CB 1.722 70.527 68.868 -0.104 0.000 1.113 325 T HN 0.580 nan 8.240 nan 0.000 0.554 326 K N 0.758 120.804 120.400 -0.591 0.000 2.218 326 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 326 K C 0.554 176.857 176.600 -0.495 0.000 1.046 326 K CA 1.889 57.740 56.287 -0.726 0.000 0.933 326 K CB -0.004 32.404 32.500 -0.154 0.000 0.728 326 K HN 0.723 nan 8.250 nan 0.000 0.454 327 D N -1.643 118.571 120.400 -0.310 0.000 2.567 327 D HA 0.048 4.688 4.640 -0.000 0.000 0.268 327 D C -0.500 175.733 176.300 -0.112 0.000 1.448 327 D CA -0.265 53.637 54.000 -0.163 0.000 0.811 327 D CB 0.196 40.943 40.800 -0.089 0.000 1.192 327 D HN 0.173 nan 8.370 nan 0.000 0.488 328 E N 0.139 120.246 120.200 -0.154 0.000 2.356 328 E HA 0.495 4.845 4.350 -0.000 0.000 0.275 328 E C -1.501 174.987 176.600 -0.187 0.000 0.904 328 E CA -0.436 55.881 56.400 -0.139 0.000 0.757 328 E CB 2.349 31.977 29.700 -0.119 0.000 1.232 328 E HN -0.155 nan 8.360 nan 0.000 0.442 329 T N 2.076 116.432 114.554 -0.331 0.000 2.881 329 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 329 T C -1.186 173.219 174.700 -0.493 0.000 0.990 329 T CA -0.534 61.312 62.100 -0.423 0.000 0.976 329 T CB 1.612 70.124 68.868 -0.593 0.000 0.970 329 T HN 0.327 nan 8.240 nan 0.000 0.438 330 T N 3.826 118.232 114.554 -0.247 0.000 2.809 330 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 330 T C 0.084 174.740 174.700 -0.074 0.000 0.992 330 T CA -0.531 61.476 62.100 -0.156 0.000 0.957 330 T CB 0.590 69.402 68.868 -0.093 0.000 0.942 330 T HN 0.466 nan 8.240 nan 0.000 0.439 331 I N 3.855 124.417 120.570 -0.012 0.000 2.313 331 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 331 I C 0.126 176.263 176.117 0.034 0.000 1.091 331 I CA -0.705 60.610 61.300 0.026 0.000 1.216 331 I CB 0.533 38.573 38.000 0.067 0.000 1.434 331 I HN 0.282 nan 8.210 nan 0.000 0.487 332 V N 4.496 124.415 119.914 0.009 0.000 2.834 332 V HA 0.339 4.459 4.120 -0.000 0.000 0.301 332 V C 1.362 177.455 176.094 -0.002 0.000 1.066 332 V CA -0.132 62.171 62.300 0.006 0.000 1.052 332 V CB 1.225 33.046 31.823 -0.004 0.000 1.021 332 V HN 1.009 nan 8.190 nan 0.000 0.480 333 G N 2.986 111.784 108.800 -0.003 0.000 2.395 333 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.300 333 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.300 333 G C 0.569 175.456 174.900 -0.021 0.000 0.998 333 G CA 0.107 45.199 45.100 -0.014 0.000 1.046 333 G HN 1.470 nan 8.290 nan 0.000 0.513 334 G N -0.588 108.207 108.800 -0.009 0.000 2.414 334 G HA2 0.401 4.361 3.960 -0.000 0.000 0.236 334 G HA3 0.401 4.361 3.960 -0.000 0.000 0.236 334 G C 0.826 175.707 174.900 -0.032 0.000 1.293 334 G CA -0.309 44.778 45.100 -0.022 0.000 0.869 334 G HN 0.293 nan 8.290 nan 0.000 0.556 335 K N 1.983 122.353 120.400 -0.049 0.000 2.387 335 K HA 0.091 4.411 4.320 -0.000 0.000 0.198 335 K C 1.634 178.212 176.600 -0.038 0.000 1.022 335 K CA 0.150 56.408 56.287 -0.049 0.000 1.128 335 K CB 0.286 32.742 32.500 -0.073 0.000 0.853 335 K HN 0.548 nan 8.250 nan 0.000 0.523 336 G N 1.702 110.482 108.800 -0.035 0.000 2.760 336 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.236 336 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.236 336 G C -0.324 174.564 174.900 -0.020 0.000 1.243 336 G CA -0.251 44.832 45.100 -0.029 0.000 0.850 336 G HN 0.156 nan 8.290 nan 0.000 0.595 337 K N 0.295 120.685 120.400 -0.017 0.000 2.276 337 K HA 0.127 4.447 4.320 -0.000 0.000 0.283 337 K C 1.516 178.112 176.600 -0.007 0.000 1.044 337 K CA -0.392 55.889 56.287 -0.011 0.000 0.944 337 K CB 0.768 33.263 32.500 -0.008 0.000 1.012 337 K HN 0.549 nan 8.250 nan 0.000 0.472 338 K N 2.776 123.173 120.400 -0.005 0.000 2.113 338 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 338 K C 0.780 177.380 176.600 0.000 0.000 1.047 338 K CA 1.994 58.281 56.287 -0.001 0.000 0.928 338 K CB 0.215 32.715 32.500 -0.001 0.000 0.716 338 K HN 0.549 nan 8.250 nan 0.000 0.446 339 E N 0.794 120.993 120.200 -0.001 0.000 2.106 339 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 339 E C 1.506 178.106 176.600 -0.000 0.000 0.984 339 E CA 1.504 57.904 56.400 0.000 0.000 0.806 339 E CB -0.136 29.564 29.700 0.000 0.000 0.750 339 E HN 0.377 nan 8.360 nan 0.000 0.458 340 D N 0.049 120.446 120.400 -0.003 0.000 2.117 340 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 340 D C 1.745 178.042 176.300 -0.005 0.000 0.987 340 D CA 0.954 54.950 54.000 -0.007 0.000 0.829 340 D CB -0.050 40.742 40.800 -0.014 0.000 0.961 340 D HN 0.151 nan 8.370 nan 0.000 0.460 341 I N 0.746 121.316 120.570 -0.000 0.000 2.142 341 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 341 I C 2.200 178.325 176.117 0.014 0.000 1.078 341 I CA 1.180 62.486 61.300 0.009 0.000 1.343 341 I CB -0.365 37.644 38.000 0.016 0.000 1.046 341 I HN 0.029 nan 8.210 nan 0.000 0.405 342 E N 1.063 121.269 120.200 0.010 0.000 2.085 342 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 342 E C 2.247 178.852 176.600 0.009 0.000 0.994 342 E CA 1.424 57.831 56.400 0.010 0.000 0.801 342 E CB -0.218 29.487 29.700 0.008 0.000 0.743 342 E HN 0.530 nan 8.360 nan 0.000 0.453 343 A N 0.916 123.739 122.820 0.006 0.000 2.066 343 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 343 A C 2.045 179.631 177.584 0.004 0.000 1.157 343 A CA 0.969 53.009 52.037 0.004 0.000 0.670 343 A CB -0.127 18.874 19.000 0.001 0.000 0.804 343 A HN -0.041 nan 8.150 nan 0.000 0.453 344 R N -0.143 120.360 120.500 0.006 0.000 2.127 344 R HA 0.241 4.581 4.340 -0.000 0.000 0.217 344 R C 1.692 178.001 176.300 0.016 0.000 1.074 344 R CA 0.984 57.089 56.100 0.007 0.000 0.991 344 R CB -0.522 29.781 30.300 0.006 0.000 0.895 344 R HN 0.548 nan 8.270 nan 0.000 0.450 345 I N 0.559 121.140 120.570 0.020 0.000 2.162 345 I HA -0.229 3.941 4.170 -0.000 0.000 0.238 345 I C 1.209 177.334 176.117 0.014 0.000 1.076 345 I CA 1.112 62.425 61.300 0.022 0.000 1.353 345 I CB -0.299 37.716 38.000 0.024 0.000 1.063 345 I HN 0.178 nan 8.210 nan 0.000 0.408 346 N N 1.160 119.867 118.700 0.011 0.000 2.585 346 N HA -0.108 4.631 4.740 -0.000 0.000 0.188 346 N C 1.619 177.133 175.510 0.006 0.000 1.102 346 N CA 1.202 54.257 53.050 0.008 0.000 0.920 346 N CB -0.243 38.248 38.487 0.007 0.000 0.963 346 N HN 0.458 nan 8.380 nan 0.000 0.447 347 G N 0.381 109.185 108.800 0.007 0.000 2.494 347 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.216 347 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.216 347 G C 1.619 176.522 174.900 0.004 0.000 1.140 347 G CA -0.032 45.071 45.100 0.005 0.000 0.801 347 G HN 0.231 nan 8.290 nan 0.000 0.536 348 I N 0.103 120.677 120.570 0.006 0.000 2.400 348 I HA -0.029 4.141 4.170 -0.000 0.000 0.248 348 I C 2.685 178.803 176.117 0.001 0.000 1.109 348 I CA 0.729 62.031 61.300 0.003 0.000 1.425 348 I CB -0.126 37.878 38.000 0.007 0.000 1.094 348 I HN 0.051 nan 8.210 nan 0.000 0.425 349 K N 1.241 121.643 120.400 0.003 0.000 1.978 349 K HA -0.196 4.124 4.320 -0.000 0.000 0.214 349 K C 1.987 178.588 176.600 0.001 0.000 1.049 349 K CA 1.510 57.799 56.287 0.002 0.000 0.939 349 K CB -0.227 32.276 32.500 0.004 0.000 0.721 349 K HN -0.029 nan 8.250 nan 0.000 0.441 350 K N 1.090 121.492 120.400 0.002 0.000 2.519 350 K HA -0.111 4.209 4.320 -0.000 0.000 0.196 350 K C 1.722 178.323 176.600 0.001 0.000 1.041 350 K CA 0.868 57.156 56.287 0.002 0.000 0.954 350 K CB 0.011 32.512 32.500 0.003 0.000 0.774 350 K HN 0.209 nan 8.250 nan 0.000 0.480 351 E N -0.161 120.039 120.200 0.000 0.000 2.290 351 E HA 0.042 4.392 4.350 -0.000 0.000 0.197 351 E C 1.622 178.220 176.600 -0.003 0.000 0.948 351 E CA 0.207 56.606 56.400 -0.001 0.000 0.895 351 E CB 0.202 29.901 29.700 -0.002 0.000 0.865 351 E HN 0.225 nan 8.360 nan 0.000 0.486 352 L N 1.693 122.914 121.223 -0.005 0.000 2.131 352 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 352 L C 1.781 178.649 176.870 -0.003 0.000 1.092 352 L CA 1.358 56.194 54.840 -0.007 0.000 0.759 352 L CB -0.349 41.705 42.059 -0.008 0.000 0.903 352 L HN 0.179 nan 8.230 nan 0.000 0.435 353 E N -0.747 119.453 120.200 -0.001 0.000 2.441 353 E HA -0.034 4.316 4.350 -0.000 0.000 0.210 353 E C 0.236 176.837 176.600 0.002 0.000 1.306 353 E CA 0.373 56.774 56.400 0.001 0.000 1.307 353 E CB -0.150 29.551 29.700 0.002 0.000 1.297 353 E HN 0.271 nan 8.360 nan 0.000 0.440 354 T N -1.113 113.442 114.554 0.001 0.000 3.524 354 T HA 0.017 4.367 4.350 -0.000 0.000 0.300 354 T C 0.015 174.717 174.700 0.003 0.000 0.872 354 T CA -0.315 61.787 62.100 0.003 0.000 0.888 354 T CB 0.797 69.666 68.868 0.003 0.000 1.216 354 T HN 0.114 nan 8.240 nan 0.000 0.724 355 T N 2.623 117.178 114.554 0.001 0.000 2.806 355 T HA 0.369 4.719 4.350 -0.000 0.000 0.290 355 T C 0.153 174.856 174.700 0.005 0.000 0.966 355 T CA -0.403 61.697 62.100 0.001 0.000 1.060 355 T CB 1.656 70.519 68.868 -0.008 0.000 0.927 355 T HN 0.029 nan 8.240 nan 0.000 0.485 356 D N 1.646 122.053 120.400 0.011 0.000 2.799 356 D HA 0.027 4.667 4.640 -0.000 0.000 0.267 356 D C 0.991 177.306 176.300 0.025 0.000 1.468 356 D CA 0.456 54.466 54.000 0.016 0.000 1.077 356 D CB -0.481 40.330 40.800 0.018 0.000 1.065 356 D HN 0.624 nan 8.370 nan 0.000 0.359 357 S N 1.981 117.703 115.700 0.037 0.000 3.897 357 S HA -0.184 4.286 4.470 -0.000 0.000 0.466 357 S C 0.978 175.618 174.600 0.066 0.000 1.095 357 S CA 0.203 58.439 58.200 0.061 0.000 1.179 357 S CB 0.008 63.260 63.200 0.087 0.000 0.777 357 S HN 0.268 nan 8.310 nan 0.000 0.521 358 E N 2.277 122.516 120.200 0.064 0.000 2.284 358 E HA -0.274 4.076 4.350 -0.000 0.000 0.200 358 E C 1.181 177.829 176.600 0.078 0.000 1.008 358 E CA 1.439 57.872 56.400 0.055 0.000 0.829 358 E CB -0.147 29.586 29.700 0.054 0.000 0.744 358 E HN 0.994 nan 8.360 nan 0.000 0.491 359 Y N 0.022 120.321 120.300 -0.002 0.000 2.263 359 Y HA -0.005 4.545 4.550 -0.000 0.000 0.292 359 Y C 1.974 177.873 175.900 -0.002 0.000 1.130 359 Y CA 1.302 59.400 58.100 -0.004 0.000 1.179 359 Y CB -0.445 38.012 38.460 -0.005 0.000 0.998 359 Y HN 0.089 nan 8.280 nan 0.000 0.532 360 A N 0.478 123.231 122.820 -0.112 0.000 2.066 360 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 360 A C 2.190 179.688 177.584 -0.143 0.000 1.157 360 A CA 1.126 53.064 52.037 -0.166 0.000 0.670 360 A CB -0.418 18.559 19.000 -0.039 0.000 0.804 360 A HN 0.518 nan 8.150 nan 0.000 0.453 361 R N -0.421 120.023 120.500 -0.094 0.000 2.200 361 R HA 0.028 4.368 4.340 -0.000 0.000 0.208 361 R C 1.551 177.801 176.300 -0.084 0.000 1.033 361 R CA 0.974 57.035 56.100 -0.066 0.000 1.000 361 R CB -0.108 30.175 30.300 -0.029 0.000 0.906 361 R HN 0.613 nan 8.270 nan 0.000 0.462 362 E N 1.270 121.396 120.200 -0.124 0.000 2.158 362 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 362 E C 1.614 178.128 176.600 -0.144 0.000 0.982 362 E CA 0.894 57.226 56.400 -0.113 0.000 0.823 362 E CB 0.267 29.914 29.700 -0.087 0.000 0.766 362 E HN 0.374 nan 8.360 nan 0.000 0.468 363 K N 0.316 120.579 120.400 -0.228 0.000 2.242 363 K HA 0.077 4.397 4.320 -0.000 0.000 0.200 363 K C 1.756 178.290 176.600 -0.109 0.000 1.050 363 K CA 0.314 56.492 56.287 -0.183 0.000 0.981 363 K CB 0.025 32.369 32.500 -0.260 0.000 0.795 363 K HN 0.059 nan 8.250 nan 0.000 0.477 364 L N 1.432 122.592 121.223 -0.105 0.000 2.711 364 L HA -0.002 4.338 4.340 -0.000 0.000 0.242 364 L C 2.038 178.883 176.870 -0.041 0.000 1.153 364 L CA 0.422 55.228 54.840 -0.057 0.000 0.898 364 L CB -0.132 41.897 42.059 -0.051 0.000 1.044 364 L HN 0.281 nan 8.230 nan 0.000 0.437 365 Q N 0.415 120.183 119.800 -0.053 0.000 2.511 365 Q HA -0.079 4.261 4.340 -0.000 0.000 0.236 365 Q C 1.884 177.862 176.000 -0.037 0.000 0.893 365 Q CA 0.634 56.413 55.803 -0.039 0.000 0.947 365 Q CB 0.332 29.044 28.738 -0.043 0.000 1.110 365 Q HN 0.546 nan 8.270 nan 0.000 0.591 366 E N -0.441 119.729 120.200 -0.050 0.000 2.409 366 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 366 E C 1.814 178.383 176.600 -0.052 0.000 1.024 366 E CA 0.414 56.781 56.400 -0.055 0.000 0.861 366 E CB -0.005 29.660 29.700 -0.058 0.000 0.788 366 E HN 0.151 nan 8.360 nan 0.000 0.521 367 R N 0.320 120.809 120.500 -0.018 0.000 2.052 367 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 367 R C 2.340 178.666 176.300 0.044 0.000 1.145 367 R CA 0.979 57.099 56.100 0.033 0.000 0.952 367 R CB -0.326 30.002 30.300 0.048 0.000 0.847 367 R HN 0.235 nan 8.270 nan 0.000 0.431 368 L N 0.806 122.044 121.223 0.025 0.000 2.261 368 L HA -0.076 4.264 4.340 -0.000 0.000 0.216 368 L C 1.786 178.666 176.870 0.017 0.000 1.114 368 L CA 1.816 56.673 54.840 0.027 0.000 0.777 368 L CB -0.457 41.610 42.059 0.012 0.000 0.910 368 L HN 0.212 nan 8.230 nan 0.000 0.440 369 A N -0.527 122.288 122.820 -0.009 0.000 1.861 369 A HA -0.100 4.220 4.320 -0.000 0.000 0.212 369 A C 2.271 179.830 177.584 -0.041 0.000 1.199 369 A CA 1.271 53.294 52.037 -0.023 0.000 0.613 369 A CB -0.349 18.625 19.000 -0.043 0.000 0.846 369 A HN 0.449 nan 8.150 nan 0.000 0.446 370 K N 0.011 120.345 120.400 -0.110 0.000 2.032 370 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 370 K C 1.830 178.422 176.600 -0.013 0.000 1.048 370 K CA 1.422 57.561 56.287 -0.246 0.000 0.927 370 K CB -0.466 31.578 32.500 -0.759 0.000 0.712 370 K HN 0.403 nan 8.250 nan 0.000 0.441 371 L N 0.447 121.744 121.223 0.124 0.000 2.079 371 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 371 L C 2.100 179.035 176.870 0.107 0.000 1.081 371 L CA 1.069 56.024 54.840 0.191 0.000 0.752 371 L CB -0.392 41.756 42.059 0.148 0.000 0.896 371 L HN 0.224 nan 8.230 nan 0.000 0.433 372 A N -0.583 122.274 122.820 0.062 0.000 2.370 372 A HA 0.336 4.656 4.320 -0.000 0.000 0.238 372 A C 1.642 179.251 177.584 0.040 0.000 1.289 372 A CA 0.481 52.544 52.037 0.044 0.000 0.885 372 A CB -0.545 18.474 19.000 0.032 0.000 0.961 372 A HN 0.485 nan 8.150 nan 0.000 0.499 373 G N -0.936 107.891 108.800 0.045 0.000 2.309 373 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.286 373 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.286 373 G C 0.716 175.642 174.900 0.043 0.000 1.002 373 G CA 0.484 45.607 45.100 0.037 0.000 0.786 373 G HN 1.463 nan 8.290 nan 0.000 0.511 374 G N -0.782 108.040 108.800 0.037 0.000 4.232 374 G HA2 0.549 4.509 3.960 -0.000 0.000 0.304 374 G HA3 0.549 4.509 3.960 -0.000 0.000 0.304 374 G C -0.542 174.379 174.900 0.036 0.000 1.295 374 G CA -0.094 45.039 45.100 0.056 0.000 1.398 374 G HN 0.763 nan 8.290 nan 0.000 0.571 375 V N 1.036 120.972 119.914 0.036 0.000 2.443 375 V HA 0.716 4.836 4.120 -0.000 0.000 0.293 375 V C 0.110 176.172 176.094 -0.054 0.000 1.021 375 V CA -0.810 61.475 62.300 -0.025 0.000 0.848 375 V CB 1.378 33.163 31.823 -0.064 0.000 0.998 375 V HN 0.700 nan 8.190 nan 0.000 0.424 376 A N 4.836 127.567 122.820 -0.149 0.000 2.325 376 A HA 0.928 5.248 4.320 -0.000 0.000 0.333 376 A C -0.907 176.499 177.584 -0.296 0.000 1.155 376 A CA -0.576 51.233 52.037 -0.381 0.000 0.814 376 A CB 1.726 20.427 19.000 -0.498 0.000 1.206 376 A HN 0.707 nan 8.150 nan 0.000 0.482 377 V N 3.424 123.134 119.914 -0.339 0.000 2.524 377 V HA 0.290 4.410 4.120 -0.000 0.000 0.297 377 V C -0.702 175.227 176.094 -0.274 0.000 1.035 377 V CA -0.098 62.053 62.300 -0.248 0.000 0.867 377 V CB 1.484 33.201 31.823 -0.178 0.000 1.004 377 V HN 0.763 nan 8.190 nan 0.000 0.426 378 I N 5.259 125.652 120.570 -0.294 0.000 2.315 378 I HA 0.476 4.646 4.170 -0.000 0.000 0.291 378 I C 0.409 176.324 176.117 -0.337 0.000 1.006 378 I CA -0.374 60.706 61.300 -0.366 0.000 1.265 378 I CB 0.908 38.575 38.000 -0.554 0.000 1.387 378 I HN 0.421 nan 8.210 nan 0.000 0.475 379 R N 5.861 126.203 120.500 -0.263 0.000 2.280 379 R HA 0.389 4.729 4.340 -0.000 0.000 0.326 379 R C -0.844 175.342 176.300 -0.190 0.000 1.080 379 R CA -0.679 55.305 56.100 -0.193 0.000 1.002 379 R CB 1.206 31.431 30.300 -0.125 0.000 1.136 379 R HN 0.390 nan 8.270 nan 0.000 0.509 380 V N 2.611 122.398 119.914 -0.212 0.000 2.529 380 V HA 0.177 4.297 4.120 -0.000 0.000 0.292 380 V C 1.084 177.162 176.094 -0.026 0.000 1.028 380 V CA -0.115 62.112 62.300 -0.121 0.000 1.074 380 V CB 0.990 32.781 31.823 -0.054 0.000 0.958 380 V HN 0.847 nan 8.190 nan 0.000 0.481 381 G N 2.913 111.720 108.800 0.012 0.000 2.417 381 G HA2 0.841 4.801 3.960 -0.000 0.000 0.334 381 G HA3 0.841 4.801 3.960 -0.000 0.000 0.334 381 G C -0.652 174.273 174.900 0.040 0.000 1.150 381 G CA -0.050 45.061 45.100 0.018 0.000 0.923 381 G HN 1.247 nan 8.290 nan 0.000 0.485 382 A N -0.549 122.288 122.820 0.028 0.000 2.601 382 A HA 0.769 5.089 4.320 -0.000 0.000 0.291 382 A C 0.535 178.131 177.584 0.019 0.000 1.075 382 A CA 0.327 52.382 52.037 0.030 0.000 0.671 382 A CB 0.752 19.774 19.000 0.037 0.000 1.277 382 A HN 1.832 nan 8.150 nan 0.000 0.417 383 A N -0.263 122.567 122.820 0.017 0.000 2.081 383 A HA 0.479 4.799 4.320 -0.000 0.000 0.214 383 A C 1.081 178.672 177.584 0.011 0.000 1.158 383 A CA 1.975 54.019 52.037 0.012 0.000 0.724 383 A CB -0.349 18.657 19.000 0.011 0.000 0.826 383 A HN 2.016 nan 8.150 nan 0.000 0.463 384 T N -4.309 110.253 114.554 0.013 0.000 2.903 384 T HA 0.497 4.847 4.350 -0.000 0.000 0.299 384 T C 0.293 175.001 174.700 0.014 0.000 1.093 384 T CA -0.100 62.007 62.100 0.012 0.000 1.002 384 T CB 1.908 70.782 68.868 0.010 0.000 1.127 384 T HN -0.004 nan 8.240 nan 0.000 0.488 385 E N 1.564 121.771 120.200 0.012 0.000 2.070 385 E HA -0.124 4.226 4.350 -0.000 0.000 0.197 385 E C 1.977 178.586 176.600 0.016 0.000 1.004 385 E CA 2.429 58.837 56.400 0.013 0.000 0.805 385 E CB -0.924 28.782 29.700 0.011 0.000 0.744 385 E HN 0.795 nan 8.360 nan 0.000 0.451 386 T N 0.312 114.874 114.554 0.013 0.000 2.684 386 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 386 T C 1.762 176.471 174.700 0.015 0.000 1.036 386 T CA 1.596 63.703 62.100 0.012 0.000 1.148 386 T CB -0.366 68.507 68.868 0.007 0.000 0.863 386 T HN 0.370 nan 8.240 nan 0.000 0.436 387 E N 0.402 120.612 120.200 0.017 0.000 2.051 387 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 387 E C 2.198 178.820 176.600 0.035 0.000 0.991 387 E CA 0.900 57.313 56.400 0.022 0.000 0.799 387 E CB -0.229 29.483 29.700 0.020 0.000 0.748 387 E HN 0.273 nan 8.360 nan 0.000 0.449 388 L N 1.978 123.223 121.223 0.037 0.000 1.971 388 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 388 L C 2.388 179.296 176.870 0.063 0.000 1.072 388 L CA 2.340 57.210 54.840 0.050 0.000 0.758 388 L CB -0.644 41.436 42.059 0.035 0.000 0.889 388 L HN 0.055 nan 8.230 nan 0.000 0.433 389 K N -1.161 119.268 120.400 0.049 0.000 2.218 389 K HA -0.282 4.038 4.320 -0.000 0.000 0.205 389 K C 2.021 178.670 176.600 0.081 0.000 1.046 389 K CA 1.859 58.180 56.287 0.056 0.000 0.933 389 K CB -0.034 32.484 32.500 0.030 0.000 0.728 389 K HN 0.491 nan 8.250 nan 0.000 0.454 390 E N 0.718 120.959 120.200 0.068 0.000 2.102 390 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 390 E C 1.755 178.424 176.600 0.114 0.000 0.971 390 E CA 1.118 57.566 56.400 0.081 0.000 0.821 390 E CB 0.029 29.749 29.700 0.034 0.000 0.777 390 E HN 0.197 nan 8.360 nan 0.000 0.460 391 K N 0.735 121.191 120.400 0.093 0.000 2.009 391 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 391 K C 2.194 178.919 176.600 0.207 0.000 1.049 391 K CA 1.862 58.211 56.287 0.102 0.000 0.929 391 K CB -0.158 32.413 32.500 0.119 0.000 0.714 391 K HN 0.002 nan 8.250 nan 0.000 0.440 392 K N -0.365 120.167 120.400 0.220 0.000 2.044 392 K HA -0.282 4.038 4.320 -0.000 0.000 0.210 392 K C 2.169 178.899 176.600 0.217 0.000 1.049 392 K CA 2.150 58.580 56.287 0.238 0.000 0.927 392 K CB -0.280 32.297 32.500 0.128 0.000 0.713 392 K HN 0.300 nan 8.250 nan 0.000 0.443 393 H N 0.317 119.441 119.070 0.090 0.000 2.353 393 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 393 H C 1.966 177.320 175.328 0.043 0.000 1.090 393 H CA 1.927 58.008 56.048 0.056 0.000 1.327 393 H CB 0.181 29.959 29.762 0.026 0.000 1.383 393 H HN 0.162 nan 8.280 nan 0.000 0.508 394 R N -0.932 119.584 120.500 0.027 0.000 2.091 394 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 394 R C 2.192 178.396 176.300 -0.160 0.000 1.136 394 R CA 1.596 57.636 56.100 -0.100 0.000 0.959 394 R CB -0.434 29.781 30.300 -0.142 0.000 0.856 394 R HN 0.332 nan 8.270 nan 0.000 0.437 395 F N 1.333 121.236 119.950 -0.079 0.000 2.069 395 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 395 F C 2.401 178.133 175.800 -0.114 0.000 1.113 395 F CA 1.580 59.532 58.000 -0.080 0.000 1.214 395 F CB -0.163 38.799 39.000 -0.062 0.000 0.978 395 F HN 0.079 nan 8.300 nan 0.000 0.474 396 E N -0.169 120.056 120.200 0.043 0.000 2.118 396 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 396 E C 1.685 178.205 176.600 -0.132 0.000 0.992 396 E CA 1.458 57.816 56.400 -0.070 0.000 0.804 396 E CB -0.300 29.315 29.700 -0.141 0.000 0.741 396 E HN 0.415 nan 8.360 nan 0.000 0.458 397 D N 0.585 120.851 120.400 -0.224 0.000 2.097 397 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 397 D C 2.004 178.252 176.300 -0.086 0.000 0.984 397 D CA 1.305 55.204 54.000 -0.168 0.000 0.826 397 D CB -0.358 40.341 40.800 -0.169 0.000 0.973 397 D HN 0.152 nan 8.370 nan 0.000 0.460 398 A N 0.967 123.740 122.820 -0.078 0.000 1.903 398 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 398 A C 2.433 180.005 177.584 -0.019 0.000 1.191 398 A CA 1.342 53.350 52.037 -0.050 0.000 0.638 398 A CB -0.970 17.998 19.000 -0.053 0.000 0.823 398 A HN 0.238 nan 8.150 nan 0.000 0.451 399 L N -0.418 120.804 121.223 -0.001 0.000 1.976 399 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 399 L C 2.437 179.299 176.870 -0.013 0.000 1.071 399 L CA 1.553 56.393 54.840 0.000 0.000 0.746 399 L CB -0.835 41.227 42.059 0.004 0.000 0.890 399 L HN 0.430 nan 8.230 nan 0.000 0.432 400 N N 0.250 118.936 118.700 -0.024 0.000 2.132 400 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 400 N C 1.767 177.267 175.510 -0.017 0.000 1.015 400 N CA 1.693 54.730 53.050 -0.021 0.000 0.864 400 N CB -0.265 38.205 38.487 -0.028 0.000 1.006 400 N HN 0.404 nan 8.380 nan 0.000 0.430 401 A N 1.017 123.824 122.820 -0.021 0.000 1.841 401 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 401 A C 2.445 180.021 177.584 -0.013 0.000 1.195 401 A CA 2.134 54.160 52.037 -0.018 0.000 0.611 401 A CB -1.255 17.730 19.000 -0.025 0.000 0.835 401 A HN 0.298 nan 8.150 nan 0.000 0.443 402 T N 0.309 114.857 114.554 -0.011 0.000 2.620 402 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 402 T C 2.085 176.783 174.700 -0.004 0.000 1.044 402 T CA 1.712 63.809 62.100 -0.006 0.000 1.161 402 T CB -0.372 68.495 68.868 -0.001 0.000 0.862 402 T HN 0.362 nan 8.240 nan 0.000 0.438 403 R N 1.402 121.899 120.500 -0.005 0.000 2.094 403 R HA -0.029 4.311 4.340 -0.000 0.000 0.239 403 R C 2.790 179.088 176.300 -0.003 0.000 1.137 403 R CA 1.759 57.857 56.100 -0.003 0.000 0.943 403 R CB -1.415 28.882 30.300 -0.004 0.000 0.850 403 R HN 0.517 nan 8.270 nan 0.000 0.433 404 A N 1.011 123.829 122.820 -0.004 0.000 1.972 404 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 404 A C 2.400 179.983 177.584 -0.003 0.000 1.169 404 A CA 1.742 53.777 52.037 -0.003 0.000 0.635 404 A CB -0.503 18.495 19.000 -0.004 0.000 0.810 404 A HN 0.383 nan 8.150 nan 0.000 0.446 405 A N -0.370 122.448 122.820 -0.004 0.000 1.858 405 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 405 A C 2.209 179.792 177.584 -0.001 0.000 1.190 405 A CA 1.868 53.903 52.037 -0.004 0.000 0.617 405 A CB -1.079 17.919 19.000 -0.005 0.000 0.827 405 A HN 0.429 nan 8.150 nan 0.000 0.443 406 V N 0.266 120.180 119.914 -0.000 0.000 2.332 406 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 406 V C 2.399 178.494 176.094 0.001 0.000 1.055 406 V CA 2.357 64.658 62.300 0.001 0.000 1.038 406 V CB -0.968 30.857 31.823 0.002 0.000 0.651 406 V HN 0.625 nan 8.190 nan 0.000 0.450 407 E N 0.133 120.334 120.200 0.001 0.000 1.998 407 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 407 E C 2.007 178.609 176.600 0.002 0.000 1.003 407 E CA 1.581 57.982 56.400 0.001 0.000 0.829 407 E CB -0.147 29.553 29.700 0.001 0.000 0.777 407 E HN 0.653 nan 8.360 nan 0.000 0.460 408 E N -0.208 119.992 120.200 0.001 0.000 2.481 408 E HA 0.200 4.550 4.350 -0.000 0.000 0.198 408 E C 0.470 177.071 176.600 0.001 0.000 1.027 408 E CA 0.178 56.580 56.400 0.002 0.000 0.900 408 E CB 1.253 30.954 29.700 0.002 0.000 0.993 408 E HN 0.297 nan 8.360 nan 0.000 0.482 409 G N 1.481 110.282 108.800 0.001 0.000 2.396 409 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.254 409 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.254 409 G C -1.233 173.666 174.900 -0.001 0.000 1.248 409 G CA -0.616 44.485 45.100 0.001 0.000 1.033 409 G HN 0.118 nan 8.290 nan 0.000 0.502 410 I N 0.112 120.682 120.570 -0.001 0.000 2.722 410 I HA 0.656 4.826 4.170 -0.000 0.000 0.295 410 I C 0.008 176.123 176.117 -0.002 0.000 1.161 410 I CA -1.060 60.238 61.300 -0.003 0.000 1.032 410 I CB 2.067 40.064 38.000 -0.004 0.000 1.244 410 I HN 1.198 nan 8.210 nan 0.000 0.421 411 V N 3.684 123.596 119.914 -0.005 0.000 3.141 411 V HA 0.746 4.866 4.120 -0.000 0.000 0.312 411 V C -2.776 173.314 176.094 -0.007 0.000 1.157 411 V CA -2.122 60.176 62.300 -0.003 0.000 1.041 411 V CB 1.526 33.349 31.823 -0.001 0.000 1.071 411 V HN 0.557 nan 8.190 nan 0.000 0.441 412 P HA 0.260 nan 4.420 nan 0.000 0.271 412 P C 0.234 177.520 177.300 -0.023 0.000 1.216 412 P CA 0.622 63.715 63.100 -0.013 0.000 0.776 412 P CB 1.100 32.799 31.700 -0.002 0.000 0.881 413 G N 1.469 110.246 108.800 -0.038 0.000 2.546 413 G HA2 0.385 4.345 3.960 -0.000 0.000 0.239 413 G HA3 0.385 4.345 3.960 -0.000 0.000 0.239 413 G C 0.817 175.682 174.900 -0.059 0.000 1.476 413 G CA -0.213 44.858 45.100 -0.047 0.000 1.064 413 G HN 0.726 nan 8.290 nan 0.000 0.561 414 G N -1.754 107.004 108.800 -0.070 0.000 2.296 414 G HA2 0.181 4.141 3.960 -0.000 0.000 0.282 414 G HA3 0.181 4.141 3.960 -0.000 0.000 0.282 414 G C 1.576 176.448 174.900 -0.047 0.000 1.014 414 G CA 1.369 46.424 45.100 -0.076 0.000 0.812 414 G HN 2.429 nan 8.290 nan 0.000 0.508 415 G N -2.709 106.072 108.800 -0.033 0.000 2.220 415 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.269 415 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.269 415 G C 1.512 176.404 174.900 -0.013 0.000 0.977 415 G CA 1.293 46.382 45.100 -0.018 0.000 0.634 415 G HN 1.465 nan 8.290 nan 0.000 0.539 416 V N 0.535 120.435 119.914 -0.022 0.000 2.282 416 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 416 V C 2.922 179.019 176.094 0.005 0.000 1.057 416 V CA 3.327 65.619 62.300 -0.012 0.000 1.032 416 V CB -1.043 30.765 31.823 -0.025 0.000 0.645 416 V HN 0.682 nan 8.190 nan 0.000 0.447 417 T N -0.362 114.193 114.554 0.000 0.000 2.720 417 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 417 T C 1.717 176.423 174.700 0.009 0.000 1.037 417 T CA 1.964 64.068 62.100 0.007 0.000 1.144 417 T CB -0.262 68.607 68.868 0.002 0.000 0.864 417 T HN 0.329 nan 8.240 nan 0.000 0.444 418 L N 0.490 121.716 121.223 0.006 0.000 2.141 418 L HA 0.136 4.476 4.340 -0.000 0.000 0.209 418 L C 2.524 179.401 176.870 0.013 0.000 1.094 418 L CA 0.993 55.837 54.840 0.008 0.000 0.763 418 L CB -0.592 41.469 42.059 0.005 0.000 0.908 418 L HN 0.277 nan 8.230 nan 0.000 0.437 419 L N -0.867 120.365 121.223 0.015 0.000 2.046 419 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 419 L C 2.706 179.593 176.870 0.028 0.000 1.077 419 L CA 0.900 55.753 54.840 0.022 0.000 0.747 419 L CB -0.473 41.603 42.059 0.027 0.000 0.896 419 L HN 0.235 nan 8.230 nan 0.000 0.432 420 R N 0.193 120.711 120.500 0.030 0.000 2.193 420 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 420 R C 2.081 178.396 176.300 0.025 0.000 1.110 420 R CA 1.173 57.293 56.100 0.033 0.000 0.988 420 R CB -0.895 29.426 30.300 0.034 0.000 0.871 420 R HN 0.346 nan 8.270 nan 0.000 0.458 421 A N 0.777 123.609 122.820 0.019 0.000 2.119 421 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 421 A C 2.166 179.759 177.584 0.016 0.000 1.153 421 A CA 0.471 52.518 52.037 0.016 0.000 0.692 421 A CB -0.360 18.648 19.000 0.012 0.000 0.799 421 A HN 0.162 nan 8.150 nan 0.000 0.458 422 I N 0.744 121.325 120.570 0.018 0.000 2.127 422 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 422 I C 2.915 179.042 176.117 0.017 0.000 1.075 422 I CA 1.709 63.019 61.300 0.017 0.000 1.334 422 I CB -0.474 37.538 38.000 0.020 0.000 1.040 422 I HN 0.498 nan 8.210 nan 0.000 0.405 423 S N 1.474 117.185 115.700 0.019 0.000 2.407 423 S HA -0.257 4.213 4.470 -0.000 0.000 0.235 423 S C 2.160 176.769 174.600 0.014 0.000 1.036 423 S CA 1.180 59.390 58.200 0.017 0.000 1.013 423 S CB -0.762 62.450 63.200 0.020 0.000 0.820 423 S HN 0.469 nan 8.310 nan 0.000 0.476 424 A N 1.571 124.399 122.820 0.014 0.000 1.873 424 A HA 0.115 4.435 4.320 -0.000 0.000 0.215 424 A C 2.448 180.039 177.584 0.010 0.000 1.186 424 A CA 1.513 53.557 52.037 0.012 0.000 0.616 424 A CB -1.039 17.968 19.000 0.012 0.000 0.823 424 A HN 0.484 nan 8.150 nan 0.000 0.442 425 V N 0.047 119.968 119.914 0.011 0.000 2.343 425 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 425 V C 2.495 178.594 176.094 0.009 0.000 1.051 425 V CA 2.331 64.637 62.300 0.010 0.000 1.036 425 V CB -0.905 30.924 31.823 0.010 0.000 0.654 425 V HN 0.655 nan 8.190 nan 0.000 0.451 426 E N 0.837 121.043 120.200 0.010 0.000 2.033 426 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 426 E C 2.146 178.751 176.600 0.009 0.000 1.011 426 E CA 1.948 58.354 56.400 0.010 0.000 0.815 426 E CB -0.358 29.349 29.700 0.011 0.000 0.755 426 E HN 0.557 nan 8.360 nan 0.000 0.451 427 E N -0.329 119.876 120.200 0.009 0.000 2.097 427 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 427 E C 1.942 178.547 176.600 0.007 0.000 1.000 427 E CA 1.129 57.533 56.400 0.008 0.000 0.804 427 E CB -0.502 29.203 29.700 0.008 0.000 0.740 427 E HN 0.324 nan 8.360 nan 0.000 0.454 428 L N 0.303 121.530 121.223 0.007 0.000 2.046 428 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 428 L C 2.069 178.943 176.870 0.006 0.000 1.077 428 L CA 1.647 56.491 54.840 0.007 0.000 0.747 428 L CB -0.569 41.494 42.059 0.007 0.000 0.896 428 L HN 0.242 nan 8.230 nan 0.000 0.432 429 I N -0.251 120.323 120.570 0.007 0.000 2.208 429 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 429 I C 2.372 178.492 176.117 0.006 0.000 1.097 429 I CA 1.615 62.919 61.300 0.006 0.000 1.363 429 I CB -0.507 37.497 38.000 0.007 0.000 1.051 429 I HN 0.284 nan 8.210 nan 0.000 0.413 430 K N 0.566 120.969 120.400 0.006 0.000 2.286 430 K HA -0.234 4.086 4.320 -0.000 0.000 0.203 430 K C 1.899 178.501 176.600 0.005 0.000 1.045 430 K CA 1.162 57.452 56.287 0.005 0.000 0.935 430 K CB -0.143 32.360 32.500 0.005 0.000 0.737 430 K HN 0.041 nan 8.250 nan 0.000 0.460 431 K N 0.659 121.062 120.400 0.005 0.000 2.374 431 K HA 0.177 4.497 4.320 -0.000 0.000 0.196 431 K C -0.074 176.528 176.600 0.005 0.000 1.023 431 K CA 0.142 56.432 56.287 0.005 0.000 1.103 431 K CB 0.369 32.872 32.500 0.005 0.000 0.848 431 K HN -0.041 nan 8.250 nan 0.000 0.528 432 L N 0.282 121.508 121.223 0.005 0.000 2.332 432 L HA 0.457 4.797 4.340 -0.000 0.000 0.269 432 L C 0.126 176.999 176.870 0.005 0.000 1.016 432 L CA -0.767 54.076 54.840 0.005 0.000 0.809 432 L CB 1.848 43.910 42.059 0.005 0.000 1.280 432 L HN 0.047 nan 8.230 nan 0.000 0.447 433 E N -0.637 119.566 120.200 0.005 0.000 2.447 433 E HA 0.515 4.865 4.350 -0.000 0.000 0.258 433 E C -0.056 176.547 176.600 0.005 0.000 0.916 433 E CA -0.392 56.011 56.400 0.004 0.000 0.846 433 E CB 1.414 31.116 29.700 0.004 0.000 1.517 433 E HN 0.717 nan 8.360 nan 0.000 0.418 434 G N 1.127 109.930 108.800 0.005 0.000 2.551 434 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.383 434 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.383 434 G C 0.413 175.317 174.900 0.005 0.000 1.370 434 G CA 0.775 45.878 45.100 0.005 0.000 0.940 434 G HN 0.693 nan 8.290 nan 0.000 0.524 435 D N 0.074 120.477 120.400 0.006 0.000 2.218 435 D HA -0.061 4.579 4.640 -0.000 0.000 0.204 435 D C 2.130 178.434 176.300 0.006 0.000 0.976 435 D CA 1.327 55.331 54.000 0.006 0.000 0.853 435 D CB -0.177 40.627 40.800 0.007 0.000 0.939 435 D HN 0.671 nan 8.370 nan 0.000 0.481 436 E N 0.505 120.709 120.200 0.006 0.000 2.118 436 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 436 E C 1.996 178.600 176.600 0.006 0.000 0.992 436 E CA 0.963 57.366 56.400 0.006 0.000 0.804 436 E CB 0.094 29.797 29.700 0.005 0.000 0.741 436 E HN 0.185 nan 8.360 nan 0.000 0.458 437 A N -0.014 122.809 122.820 0.006 0.000 1.930 437 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 437 A C 2.314 179.902 177.584 0.006 0.000 1.175 437 A CA 1.721 53.762 52.037 0.006 0.000 0.627 437 A CB -0.695 18.308 19.000 0.005 0.000 0.815 437 A HN 0.258 nan 8.150 nan 0.000 0.443 438 T N -0.004 114.554 114.554 0.006 0.000 2.684 438 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 438 T C 2.024 176.728 174.700 0.006 0.000 1.036 438 T CA 1.548 63.652 62.100 0.006 0.000 1.148 438 T CB -0.799 68.073 68.868 0.006 0.000 0.863 438 T HN 0.583 nan 8.240 nan 0.000 0.436 439 G N 1.455 110.259 108.800 0.006 0.000 2.529 439 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 439 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 439 G C 1.863 176.766 174.900 0.006 0.000 1.177 439 G CA 1.229 46.333 45.100 0.006 0.000 0.773 439 G HN 0.605 nan 8.290 nan 0.000 0.573 440 A N 0.823 123.647 122.820 0.006 0.000 1.892 440 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 440 A C 2.320 179.908 177.584 0.007 0.000 1.188 440 A CA 2.219 54.260 52.037 0.007 0.000 0.631 440 A CB -0.469 18.535 19.000 0.007 0.000 0.822 440 A HN 0.426 nan 8.150 nan 0.000 0.447 441 K N -0.466 119.938 120.400 0.007 0.000 2.103 441 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 441 K C 1.800 178.404 176.600 0.007 0.000 1.048 441 K CA 1.551 57.842 56.287 0.007 0.000 0.930 441 K CB -0.458 32.046 32.500 0.007 0.000 0.716 441 K HN 0.584 nan 8.250 nan 0.000 0.444 442 I N 0.716 121.290 120.570 0.007 0.000 2.151 442 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 442 I C 2.243 178.365 176.117 0.007 0.000 1.080 442 I CA 1.272 62.576 61.300 0.007 0.000 1.339 442 I CB -0.456 37.548 38.000 0.006 0.000 1.039 442 I HN -0.048 nan 8.210 nan 0.000 0.409 443 V N 0.777 120.696 119.914 0.007 0.000 2.343 443 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 443 V C 2.633 178.732 176.094 0.008 0.000 1.051 443 V CA 1.976 64.280 62.300 0.007 0.000 1.036 443 V CB -0.856 30.971 31.823 0.007 0.000 0.654 443 V HN 0.428 nan 8.190 nan 0.000 0.451 444 R N 0.256 120.761 120.500 0.009 0.000 2.103 444 R HA -0.276 4.064 4.340 -0.000 0.000 0.242 444 R C 2.448 178.754 176.300 0.010 0.000 1.142 444 R CA 2.289 58.394 56.100 0.010 0.000 0.960 444 R CB -0.238 30.068 30.300 0.010 0.000 0.858 444 R HN 0.396 nan 8.270 nan 0.000 0.439 445 R N 0.527 121.033 120.500 0.009 0.000 2.057 445 R HA 0.026 4.366 4.340 -0.000 0.000 0.229 445 R C 2.064 178.369 176.300 0.009 0.000 1.136 445 R CA 1.993 58.098 56.100 0.009 0.000 0.952 445 R CB -0.995 29.309 30.300 0.008 0.000 0.848 445 R HN 0.300 nan 8.270 nan 0.000 0.430 446 A N 1.143 123.967 122.820 0.008 0.000 1.915 446 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 446 A C 2.297 179.885 177.584 0.007 0.000 1.198 446 A CA 2.007 54.048 52.037 0.007 0.000 0.647 446 A CB -1.027 17.977 19.000 0.006 0.000 0.825 446 A HN 0.417 nan 8.150 nan 0.000 0.456 447 L N -0.761 120.467 121.223 0.008 0.000 2.357 447 L HA -0.263 4.077 4.340 -0.000 0.000 0.220 447 L C 2.362 179.237 176.870 0.009 0.000 1.123 447 L CA 1.678 56.523 54.840 0.008 0.000 0.782 447 L CB -0.560 41.505 42.059 0.010 0.000 0.910 447 L HN 0.545 nan 8.230 nan 0.000 0.442 448 E N -0.995 119.211 120.200 0.009 0.000 2.230 448 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 448 E C 1.916 178.521 176.600 0.008 0.000 0.987 448 E CA 0.013 56.419 56.400 0.010 0.000 0.841 448 E CB 0.101 29.808 29.700 0.011 0.000 0.783 448 E HN 0.324 nan 8.360 nan 0.000 0.481 449 E N 0.746 120.950 120.200 0.007 0.000 2.065 449 E HA -0.178 4.172 4.350 -0.000 0.000 0.201 449 E C -0.666 175.938 176.600 0.006 0.000 1.016 449 E CA 1.519 57.923 56.400 0.007 0.000 0.818 449 E CB -1.501 28.202 29.700 0.006 0.000 0.749 449 E HN 0.236 nan 8.360 nan 0.000 0.453 450 P HA -0.150 nan 4.420 nan 0.000 0.214 450 P C 1.274 178.574 177.300 0.001 0.000 1.163 450 P CA 2.367 65.468 63.100 0.001 0.000 0.883 450 P CB -0.189 31.510 31.700 -0.001 0.000 0.788 451 A N -0.229 122.591 122.820 0.000 0.000 1.883 451 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 451 A C 2.301 179.888 177.584 0.006 0.000 1.186 451 A CA 1.686 53.722 52.037 -0.001 0.000 0.624 451 A CB -1.193 17.806 19.000 -0.002 0.000 0.822 451 A HN 0.015 nan 8.150 nan 0.000 0.444 452 R N -1.135 119.369 120.500 0.007 0.000 2.097 452 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 452 R C 2.501 178.814 176.300 0.023 0.000 1.135 452 R CA 1.672 57.779 56.100 0.011 0.000 0.934 452 R CB -0.440 29.867 30.300 0.011 0.000 0.846 452 R HN 0.523 nan 8.270 nan 0.000 0.431 453 Q N 0.517 120.328 119.800 0.019 0.000 2.152 453 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 453 Q C 2.183 178.201 176.000 0.031 0.000 0.985 453 Q CA 1.455 57.272 55.803 0.023 0.000 0.863 453 Q CB -0.284 28.463 28.738 0.015 0.000 0.904 453 Q HN 0.449 nan 8.270 nan 0.000 0.422 454 I N 0.182 120.766 120.570 0.024 0.000 2.099 454 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 454 I C 2.364 178.517 176.117 0.060 0.000 1.066 454 I CA 1.210 62.524 61.300 0.023 0.000 1.324 454 I CB -0.561 37.439 38.000 0.001 0.000 1.037 454 I HN 0.090 nan 8.210 nan 0.000 0.401 455 A N 0.310 123.179 122.820 0.081 0.000 1.883 455 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 455 A C 2.178 179.879 177.584 0.195 0.000 1.186 455 A CA 2.180 54.303 52.037 0.143 0.000 0.624 455 A CB -0.684 18.342 19.000 0.043 0.000 0.822 455 A HN 0.413 nan 8.150 nan 0.000 0.444 456 E N 0.655 120.925 120.200 0.117 0.000 2.021 456 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 456 E C 1.713 178.377 176.600 0.107 0.000 1.015 456 E CA 2.059 58.520 56.400 0.102 0.000 0.824 456 E CB -0.573 29.160 29.700 0.056 0.000 0.762 456 E HN 0.759 nan 8.360 nan 0.000 0.454 457 N N -0.593 118.156 118.700 0.081 0.000 2.513 457 N HA -0.167 4.573 4.740 -0.000 0.000 0.187 457 N C 1.242 176.809 175.510 0.096 0.000 1.056 457 N CA 0.493 53.583 53.050 0.066 0.000 0.907 457 N CB -0.077 38.435 38.487 0.042 0.000 0.954 457 N HN 0.197 nan 8.380 nan 0.000 0.445 458 A N 0.418 123.340 122.820 0.170 0.000 2.132 458 A HA 0.337 4.657 4.320 -0.000 0.000 0.213 458 A C 1.457 179.229 177.584 0.313 0.000 1.154 458 A CA 0.764 52.956 52.037 0.259 0.000 0.753 458 A CB 0.153 19.341 19.000 0.312 0.000 0.826 458 A HN 0.281 nan 8.150 nan 0.000 0.469 459 G N -2.063 106.872 108.800 0.226 0.000 2.226 459 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.176 459 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.176 459 G C -0.382 174.403 174.900 -0.193 0.000 1.042 459 G CA 0.011 45.108 45.100 -0.004 0.000 0.732 459 G HN 0.388 nan 8.290 nan 0.000 0.494 460 Y N -0.825 119.496 120.300 0.034 0.000 2.665 460 Y HA 0.691 5.241 4.550 -0.000 0.000 0.336 460 Y C 0.169 176.052 175.900 -0.029 0.000 1.085 460 Y CA -1.413 56.686 58.100 -0.001 0.000 1.096 460 Y CB 0.980 39.423 38.460 -0.028 0.000 1.301 460 Y HN -0.023 nan 8.280 nan 0.000 0.493 461 E N 0.859 121.129 120.200 0.117 0.000 2.052 461 E HA 0.183 4.533 4.350 -0.000 0.000 0.283 461 E C 0.877 177.490 176.600 0.021 0.000 1.071 461 E CA 0.050 56.477 56.400 0.046 0.000 0.851 461 E CB 1.064 30.778 29.700 0.023 0.000 1.066 461 E HN 0.927 nan 8.360 nan 0.000 0.396 462 G N 3.099 111.913 108.800 0.024 0.000 2.672 462 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.218 462 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.218 462 G C 1.552 176.450 174.900 -0.002 0.000 1.238 462 G CA 1.212 46.317 45.100 0.009 0.000 0.791 462 G HN 0.503 nan 8.290 nan 0.000 0.606 463 S N -0.076 115.627 115.700 0.005 0.000 2.374 463 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 463 S C 2.460 177.063 174.600 0.004 0.000 1.037 463 S CA 1.313 59.516 58.200 0.005 0.000 1.024 463 S CB -0.499 62.704 63.200 0.006 0.000 0.861 463 S HN 0.212 nan 8.310 nan 0.000 0.456 464 V N 2.240 122.154 119.914 0.001 0.000 2.220 464 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 464 V C 2.140 178.239 176.094 0.008 0.000 1.049 464 V CA 1.974 64.275 62.300 0.001 0.000 1.003 464 V CB -0.693 31.131 31.823 0.003 0.000 0.634 464 V HN 0.442 nan 8.190 nan 0.000 0.444 465 I N -0.334 120.222 120.570 -0.024 0.000 2.118 465 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 465 I C 2.386 178.541 176.117 0.063 0.000 1.070 465 I CA 1.587 62.877 61.300 -0.017 0.000 1.327 465 I CB -0.546 37.228 38.000 -0.376 0.000 1.034 465 I HN 0.159 nan 8.210 nan 0.000 0.405 466 V N 0.370 120.292 119.914 0.013 0.000 2.453 466 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 466 V C 2.512 178.643 176.094 0.061 0.000 1.068 466 V CA 1.645 63.967 62.300 0.035 0.000 1.070 466 V CB -0.675 31.159 31.823 0.018 0.000 0.664 466 V HN 0.468 nan 8.190 nan 0.000 0.461 467 Q N -0.450 119.379 119.800 0.049 0.000 2.020 467 Q HA -0.214 4.126 4.340 -0.000 0.000 0.198 467 Q C 2.267 178.302 176.000 0.059 0.000 0.974 467 Q CA 1.772 57.601 55.803 0.042 0.000 0.829 467 Q CB -0.452 28.296 28.738 0.018 0.000 0.894 467 Q HN 0.737 nan 8.270 nan 0.000 0.433 468 Q N 0.066 119.899 119.800 0.055 0.000 2.170 468 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 468 Q C 2.063 178.186 176.000 0.204 0.000 0.976 468 Q CA 0.861 56.671 55.803 0.012 0.000 0.858 468 Q CB -0.002 28.553 28.738 -0.305 0.000 0.907 468 Q HN 0.351 nan 8.270 nan 0.000 0.433 469 I N 0.101 120.846 120.570 0.292 0.000 2.133 469 I HA -0.298 3.872 4.170 -0.000 0.000 0.238 469 I C 2.008 178.269 176.117 0.240 0.000 1.074 469 I CA 0.976 62.449 61.300 0.288 0.000 1.342 469 I CB -0.195 37.897 38.000 0.153 0.000 1.053 469 I HN 0.248 nan 8.210 nan 0.000 0.404 470 L N 0.533 121.843 121.223 0.145 0.000 2.353 470 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 470 L C 2.591 179.517 176.870 0.094 0.000 1.133 470 L CA 0.705 55.607 54.840 0.103 0.000 0.798 470 L CB -0.617 41.481 42.059 0.066 0.000 0.922 470 L HN 0.256 nan 8.230 nan 0.000 0.445 471 A N -0.101 122.782 122.820 0.105 0.000 1.825 471 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 471 A C 1.329 178.943 177.584 0.050 0.000 1.206 471 A CA 0.590 52.663 52.037 0.060 0.000 0.609 471 A CB -0.405 18.617 19.000 0.037 0.000 0.851 471 A HN 0.328 nan 8.150 nan 0.000 0.445 472 E N 1.144 121.385 120.200 0.069 0.000 2.081 472 E HA 0.169 4.519 4.350 -0.000 0.000 0.270 472 E C 0.090 176.710 176.600 0.034 0.000 1.180 472 E CA 0.439 56.815 56.400 -0.039 0.000 0.926 472 E CB 0.101 29.601 29.700 -0.333 0.000 1.035 472 E HN 0.473 nan 8.360 nan 0.000 0.418 473 T N 1.060 115.622 114.554 0.014 0.000 3.251 473 T HA 0.212 4.562 4.350 -0.000 0.000 0.259 473 T C 0.759 175.465 174.700 0.010 0.000 0.998 473 T CA -0.439 61.679 62.100 0.031 0.000 0.905 473 T CB 0.227 69.111 68.868 0.027 0.000 1.067 473 T HN 0.278 nan 8.240 nan 0.000 0.569 474 K N 1.487 121.878 120.400 -0.014 0.000 2.063 474 K HA 0.104 4.424 4.320 -0.000 0.000 0.204 474 K C 0.720 177.322 176.600 0.003 0.000 1.039 474 K CA 0.499 56.776 56.287 -0.018 0.000 0.957 474 K CB -0.039 32.433 32.500 -0.047 0.000 0.764 474 K HN 0.300 nan 8.250 nan 0.000 0.447 475 N N 1.581 120.289 118.700 0.012 0.000 2.558 475 N HA 0.108 4.848 4.740 -0.000 0.000 0.242 475 N C -2.086 173.484 175.510 0.100 0.000 0.979 475 N CA -2.278 50.800 53.050 0.048 0.000 0.931 475 N CB 1.384 39.898 38.487 0.044 0.000 1.122 475 N HN -0.174 nan 8.380 nan 0.000 0.508 476 P HA -0.181 nan 4.420 nan 0.000 0.220 476 P C 0.481 177.844 177.300 0.105 0.000 1.144 476 P CA 1.024 64.178 63.100 0.091 0.000 0.800 476 P CB 0.334 32.068 31.700 0.057 0.000 0.772 477 R N -1.862 118.699 120.500 0.103 0.000 2.339 477 R HA -0.040 4.300 4.340 -0.000 0.000 0.199 477 R C 0.658 177.043 176.300 0.143 0.000 1.018 477 R CA -0.076 56.079 56.100 0.092 0.000 1.036 477 R CB -0.658 29.685 30.300 0.072 0.000 0.899 477 R HN 0.235 nan 8.270 nan 0.000 0.473 478 Y N 0.821 121.151 120.300 0.051 0.000 2.436 478 Y HA 0.332 4.882 4.550 -0.000 0.000 0.336 478 Y C 0.461 176.424 175.900 0.104 0.000 1.049 478 Y CA -0.065 58.087 58.100 0.086 0.000 1.294 478 Y CB 0.606 39.126 38.460 0.101 0.000 1.179 478 Y HN 0.036 nan 8.280 nan 0.000 0.520 479 G N 4.598 113.168 108.800 -0.382 0.000 2.663 479 G HA2 0.362 4.322 3.960 -0.000 0.000 0.299 479 G HA3 0.362 4.322 3.960 -0.000 0.000 0.299 479 G C -2.274 172.335 174.900 -0.486 0.000 1.372 479 G CA -0.929 43.959 45.100 -0.354 0.000 0.781 479 G HN 0.465 nan 8.290 nan 0.000 0.491 480 F N 1.532 121.074 119.950 -0.680 0.000 2.420 480 F HA 0.544 5.071 4.527 -0.000 0.000 0.342 480 F C 0.155 175.623 175.800 -0.554 0.000 1.113 480 F CA -1.686 55.750 58.000 -0.941 0.000 1.059 480 F CB 1.741 40.078 39.000 -1.105 0.000 1.128 480 F HN 0.303 nan 8.300 nan 0.000 0.475 481 N N 5.140 123.143 118.700 -1.161 0.000 2.868 481 N HA 0.157 4.897 4.740 -0.000 0.000 0.252 481 N C 0.727 175.475 175.510 -1.269 0.000 1.130 481 N CA 0.385 52.905 53.050 -0.883 0.000 1.026 481 N CB 0.870 39.034 38.487 -0.540 0.000 1.335 481 N HN 0.811 nan 8.380 nan 0.000 0.516 482 A N 2.549 124.714 122.820 -1.091 0.000 2.245 482 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 482 A C 1.854 179.176 177.584 -0.438 0.000 1.171 482 A CA 1.785 53.351 52.037 -0.784 0.000 0.688 482 A CB -0.218 18.611 19.000 -0.285 0.000 0.781 482 A HN 0.653 nan 8.150 nan 0.000 0.479 483 A N -1.174 121.415 122.820 -0.384 0.000 2.014 483 A HA 0.150 4.470 4.320 -0.000 0.000 0.210 483 A C 2.192 179.680 177.584 -0.161 0.000 1.188 483 A CA 1.721 53.638 52.037 -0.200 0.000 0.731 483 A CB -0.412 18.492 19.000 -0.161 0.000 0.858 483 A HN 0.724 nan 8.150 nan 0.000 0.464 484 T N -5.220 109.191 114.554 -0.239 0.000 2.990 484 T HA 0.409 4.759 4.350 -0.000 0.000 0.250 484 T C 1.282 175.918 174.700 -0.107 0.000 1.041 484 T CA 1.153 63.170 62.100 -0.139 0.000 1.010 484 T CB 0.196 68.985 68.868 -0.132 0.000 1.003 484 T HN 1.682 nan 8.240 nan 0.000 0.499 485 G N 1.381 109.993 108.800 -0.314 0.000 2.212 485 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.255 485 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.255 485 G C -0.463 174.481 174.900 0.073 0.000 1.062 485 G CA -0.002 45.019 45.100 -0.130 0.000 0.815 485 G HN 0.694 nan 8.290 nan 0.000 0.497 486 E N -1.131 118.955 120.200 -0.190 0.000 2.314 486 E HA 0.554 4.904 4.350 -0.000 0.000 0.272 486 E C -0.787 175.810 176.600 -0.006 0.000 0.884 486 E CA -1.063 55.391 56.400 0.090 0.000 0.753 486 E CB 1.413 31.153 29.700 0.066 0.000 1.213 486 E HN 0.049 nan 8.360 nan 0.000 0.432 487 F N 1.827 121.858 119.950 0.134 0.000 2.456 487 F HA 0.287 4.814 4.527 -0.000 0.000 0.358 487 F C 0.667 176.500 175.800 0.056 0.000 1.095 487 F CA -0.228 57.795 58.000 0.038 0.000 1.216 487 F CB 0.843 39.887 39.000 0.073 0.000 1.125 487 F HN 0.207 nan 8.300 nan 0.000 0.549 488 V N -0.730 119.221 119.914 0.062 0.000 3.203 488 V HA 0.465 4.585 4.120 -0.000 0.000 0.305 488 V C -1.140 175.028 176.094 0.123 0.000 1.361 488 V CA -1.151 61.223 62.300 0.123 0.000 1.066 488 V CB 1.821 33.652 31.823 0.012 0.000 1.085 488 V HN 0.563 nan 8.190 nan 0.000 0.456 489 D N 1.530 122.005 120.400 0.125 0.000 2.352 489 D HA 0.200 4.840 4.640 -0.000 0.000 0.245 489 D C 1.211 177.529 176.300 0.030 0.000 1.224 489 D CA -0.395 53.670 54.000 0.108 0.000 0.879 489 D CB 1.337 42.192 40.800 0.091 0.000 1.057 489 D HN 0.529 nan 8.370 nan 0.000 0.491 490 M N 3.109 122.709 119.600 0.001 0.000 2.089 490 M HA -0.198 4.282 4.480 -0.000 0.000 0.257 490 M C 2.067 178.352 176.300 -0.025 0.000 1.071 490 M CA 1.183 56.460 55.300 -0.039 0.000 1.096 490 M CB -1.015 31.556 32.600 -0.048 0.000 1.330 490 M HN 0.315 nan 8.290 nan 0.000 0.403 491 V N 0.003 119.915 119.914 -0.004 0.000 2.261 491 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 491 V C 2.409 178.501 176.094 -0.003 0.000 1.047 491 V CA 2.147 64.445 62.300 -0.003 0.000 1.015 491 V CB -0.831 30.996 31.823 0.007 0.000 0.642 491 V HN 0.531 nan 8.190 nan 0.000 0.446 492 E N 0.262 120.466 120.200 0.007 0.000 2.160 492 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 492 E C 2.057 178.654 176.600 -0.005 0.000 0.991 492 E CA 1.288 57.692 56.400 0.006 0.000 0.810 492 E CB -0.165 29.546 29.700 0.019 0.000 0.742 492 E HN 0.583 nan 8.360 nan 0.000 0.466 493 A N 0.002 122.813 122.820 -0.015 0.000 2.167 493 A HA 0.159 4.479 4.320 -0.000 0.000 0.214 493 A C 1.765 179.324 177.584 -0.041 0.000 1.151 493 A CA 1.071 53.088 52.037 -0.033 0.000 0.735 493 A CB -0.360 18.607 19.000 -0.055 0.000 0.802 493 A HN 0.486 nan 8.150 nan 0.000 0.467 494 G N -1.085 107.695 108.800 -0.034 0.000 2.132 494 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.234 494 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.234 494 G C 0.077 174.948 174.900 -0.047 0.000 0.989 494 G CA 0.177 45.256 45.100 -0.035 0.000 0.676 494 G HN 0.518 nan 8.290 nan 0.000 0.522 495 I N 1.638 122.174 120.570 -0.057 0.000 2.317 495 I HA 0.417 4.587 4.170 -0.000 0.000 0.286 495 I C 0.667 176.752 176.117 -0.054 0.000 1.119 495 I CA -0.877 60.382 61.300 -0.069 0.000 1.228 495 I CB 0.618 38.558 38.000 -0.100 0.000 1.476 495 I HN 0.157 nan 8.210 nan 0.000 0.514 496 V N 0.514 120.403 119.914 -0.042 0.000 2.960 496 V HA 0.696 4.816 4.120 -0.000 0.000 0.315 496 V C -0.841 175.235 176.094 -0.030 0.000 1.087 496 V CA -0.670 61.611 62.300 -0.031 0.000 0.982 496 V CB 2.662 34.472 31.823 -0.022 0.000 1.039 496 V HN 0.231 nan 8.190 nan 0.000 0.437 497 D N 1.700 122.086 120.400 -0.023 0.000 2.738 497 D HA 0.478 5.118 4.640 -0.000 0.000 0.237 497 D C -3.016 173.276 176.300 -0.014 0.000 1.123 497 D CA -1.331 52.657 54.000 -0.021 0.000 0.856 497 D CB 2.594 43.382 40.800 -0.020 0.000 1.552 497 D HN 0.478 nan 8.370 nan 0.000 0.480 498 P HA 0.029 nan 4.420 nan 0.000 0.264 498 P C 0.539 177.836 177.300 -0.006 0.000 1.229 498 P CA -0.040 63.055 63.100 -0.009 0.000 0.780 498 P CB 0.598 32.293 31.700 -0.009 0.000 0.808 499 A N 4.928 127.745 122.820 -0.004 0.000 2.042 499 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 499 A C 2.221 179.804 177.584 -0.001 0.000 1.167 499 A CA 1.730 53.766 52.037 -0.002 0.000 0.649 499 A CB -0.951 18.049 19.000 0.000 0.000 0.809 499 A HN 0.514 nan 8.150 nan 0.000 0.457 500 K N -0.069 120.330 120.400 -0.001 0.000 2.001 500 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 500 K C 2.041 178.641 176.600 -0.000 0.000 1.048 500 K CA 1.864 58.152 56.287 0.000 0.000 0.932 500 K CB -0.453 32.047 32.500 0.000 0.000 0.715 500 K HN 0.465 nan 8.250 nan 0.000 0.437 501 V N -0.748 119.165 119.914 -0.002 0.000 2.255 501 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 501 V C 2.034 178.128 176.094 -0.001 0.000 1.051 501 V CA 2.374 64.673 62.300 -0.002 0.000 1.018 501 V CB -1.461 30.360 31.823 -0.004 0.000 0.641 501 V HN 0.274 nan 8.190 nan 0.000 0.445 502 T N 0.504 115.056 114.554 -0.002 0.000 2.570 502 T HA -0.299 4.051 4.350 -0.000 0.000 0.266 502 T C 2.020 176.721 174.700 0.001 0.000 1.071 502 T CA 2.780 64.879 62.100 -0.001 0.000 1.172 502 T CB -0.501 68.366 68.868 -0.002 0.000 0.864 502 T HN 0.620 nan 8.240 nan 0.000 0.421 503 R N 0.652 121.153 120.500 0.002 0.000 2.103 503 R HA -0.143 4.197 4.340 -0.000 0.000 0.242 503 R C 2.554 178.856 176.300 0.003 0.000 1.142 503 R CA 1.966 58.067 56.100 0.003 0.000 0.960 503 R CB -0.403 29.898 30.300 0.003 0.000 0.858 503 R HN 0.298 nan 8.270 nan 0.000 0.439 504 S N 0.506 116.208 115.700 0.003 0.000 2.338 504 S HA -0.118 4.352 4.470 -0.000 0.000 0.218 504 S C 2.075 176.677 174.600 0.004 0.000 1.032 504 S CA 1.112 59.314 58.200 0.004 0.000 0.999 504 S CB -0.479 62.724 63.200 0.004 0.000 0.905 504 S HN 0.588 nan 8.310 nan 0.000 0.439 505 A N 1.891 124.713 122.820 0.003 0.000 1.896 505 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 505 A C 2.179 179.765 177.584 0.003 0.000 1.206 505 A CA 2.093 54.132 52.037 0.003 0.000 0.647 505 A CB -1.088 17.913 19.000 0.002 0.000 0.828 505 A HN 0.437 nan 8.150 nan 0.000 0.455 506 L N -0.255 120.970 121.223 0.003 0.000 2.017 506 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 506 L C 2.411 179.284 176.870 0.004 0.000 1.073 506 L CA 2.551 57.393 54.840 0.004 0.000 0.745 506 L CB -1.008 41.053 42.059 0.004 0.000 0.894 506 L HN 0.557 nan 8.230 nan 0.000 0.432 507 Q N -0.635 119.167 119.800 0.004 0.000 2.124 507 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 507 Q C 1.925 177.927 176.000 0.004 0.000 0.977 507 Q CA 1.528 57.334 55.803 0.004 0.000 0.850 507 Q CB -0.217 28.523 28.738 0.004 0.000 0.901 507 Q HN 0.615 nan 8.270 nan 0.000 0.429 508 N N 0.525 119.227 118.700 0.004 0.000 2.135 508 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 508 N C 1.708 177.220 175.510 0.004 0.000 1.027 508 N CA 1.220 54.272 53.050 0.004 0.000 0.849 508 N CB -0.295 38.195 38.487 0.004 0.000 1.002 508 N HN 0.194 nan 8.380 nan 0.000 0.425 509 A N 1.361 124.183 122.820 0.004 0.000 1.865 509 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 509 A C 2.338 179.925 177.584 0.003 0.000 1.191 509 A CA 2.178 54.217 52.037 0.003 0.000 0.623 509 A CB -0.995 18.007 19.000 0.003 0.000 0.826 509 A HN 0.314 nan 8.150 nan 0.000 0.444 510 A N -1.068 121.754 122.820 0.004 0.000 2.070 510 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 510 A C 2.397 179.983 177.584 0.004 0.000 1.159 510 A CA 2.057 54.096 52.037 0.004 0.000 0.656 510 A CB -0.761 18.241 19.000 0.004 0.000 0.800 510 A HN 0.548 nan 8.150 nan 0.000 0.453 511 S N -0.500 115.202 115.700 0.003 0.000 2.345 511 S HA -0.092 4.378 4.470 -0.000 0.000 0.220 511 S C 1.894 176.496 174.600 0.002 0.000 1.031 511 S CA 1.372 59.574 58.200 0.003 0.000 0.996 511 S CB -0.314 62.888 63.200 0.003 0.000 0.882 511 S HN 0.401 nan 8.310 nan 0.000 0.445 512 I N 1.683 122.254 120.570 0.002 0.000 2.233 512 I HA -0.005 4.165 4.170 -0.000 0.000 0.243 512 I C 2.746 178.864 176.117 0.001 0.000 1.093 512 I CA 1.340 62.640 61.300 0.001 0.000 1.380 512 I CB -2.204 35.797 38.000 0.001 0.000 1.067 512 I HN 0.426 nan 8.210 nan 0.000 0.413 513 G N 1.308 110.109 108.800 0.002 0.000 2.631 513 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 513 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 513 G C 1.863 176.764 174.900 0.003 0.000 1.214 513 G CA 1.745 46.846 45.100 0.003 0.000 0.785 513 G HN 0.487 nan 8.290 nan 0.000 0.596 514 A N 0.246 123.068 122.820 0.003 0.000 1.927 514 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 514 A C 2.445 180.030 177.584 0.003 0.000 1.185 514 A CA 1.769 53.808 52.037 0.003 0.000 0.639 514 A CB -0.462 18.541 19.000 0.004 0.000 0.820 514 A HN 0.330 nan 8.150 nan 0.000 0.451 515 L N -0.307 120.917 121.223 0.002 0.000 1.990 515 L HA -0.217 4.122 4.340 -0.000 0.000 0.213 515 L C 2.584 179.454 176.870 -0.001 0.000 1.072 515 L CA 2.022 56.862 54.840 0.000 0.000 0.755 515 L CB -1.291 40.767 42.059 -0.001 0.000 0.889 515 L HN 0.458 nan 8.230 nan 0.000 0.432 516 I N -0.105 120.465 120.570 -0.001 0.000 2.113 516 I HA -0.386 3.784 4.170 -0.000 0.000 0.242 516 I C 2.413 178.530 176.117 0.001 0.000 1.064 516 I CA 1.315 62.614 61.300 -0.001 0.000 1.320 516 I CB -0.430 37.570 38.000 0.000 0.000 1.028 516 I HN 0.255 nan 8.210 nan 0.000 0.406 517 L N 0.474 121.699 121.223 0.003 0.000 2.456 517 L HA -0.194 4.146 4.340 -0.000 0.000 0.225 517 L C 2.175 179.049 176.870 0.006 0.000 1.142 517 L CA 1.644 56.487 54.840 0.006 0.000 0.796 517 L CB -1.392 40.670 42.059 0.006 0.000 0.920 517 L HN 0.506 nan 8.230 nan 0.000 0.446 518 T N -5.501 109.055 114.554 0.004 0.000 3.105 518 T HA 0.079 4.429 4.350 -0.000 0.000 0.253 518 T C 0.741 175.443 174.700 0.002 0.000 1.047 518 T CA -0.310 61.793 62.100 0.005 0.000 0.944 518 T CB -0.324 68.546 68.868 0.003 0.000 1.016 518 T HN 0.060 nan 8.240 nan 0.000 0.544 519 T N 2.678 117.231 114.554 -0.001 0.000 2.901 519 T HA 0.321 4.671 4.350 -0.000 0.000 0.301 519 T C 0.594 175.295 174.700 0.002 0.000 1.012 519 T CA -0.179 61.916 62.100 -0.008 0.000 1.135 519 T CB 1.393 70.253 68.868 -0.013 0.000 0.936 519 T HN 0.289 nan 8.240 nan 0.000 0.539 520 E N 0.584 120.781 120.200 -0.005 0.000 2.702 520 E HA 0.485 4.835 4.350 -0.000 0.000 0.225 520 E C -0.255 176.339 176.600 -0.009 0.000 0.942 520 E CA -0.081 56.336 56.400 0.028 0.000 1.210 520 E CB 0.663 30.394 29.700 0.052 0.000 1.143 520 E HN 0.810 nan 8.360 nan 0.000 0.544 521 A N -0.735 122.015 122.820 -0.116 0.000 2.586 521 A HA 0.719 5.039 4.320 -0.000 0.000 0.291 521 A C -1.627 175.814 177.584 -0.238 0.000 1.062 521 A CA -0.417 51.425 52.037 -0.326 0.000 0.666 521 A CB 1.477 20.174 19.000 -0.504 0.000 1.281 521 A HN 0.057 nan 8.150 nan 0.000 0.421 522 V N 0.049 119.790 119.914 -0.289 0.000 2.891 522 V HA 0.548 4.668 4.120 -0.000 0.000 0.304 522 V C -1.101 174.885 176.094 -0.180 0.000 1.171 522 V CA -0.532 61.666 62.300 -0.171 0.000 0.943 522 V CB 2.111 33.872 31.823 -0.104 0.000 1.037 522 V HN 0.963 nan 8.190 nan 0.000 0.427 523 V N 3.636 123.475 119.914 -0.125 0.000 2.325 523 V HA 0.855 4.975 4.120 -0.000 0.000 0.280 523 V C 0.324 176.372 176.094 -0.077 0.000 1.016 523 V CA -0.079 62.157 62.300 -0.106 0.000 0.818 523 V CB 1.116 32.882 31.823 -0.094 0.000 1.019 523 V HN 1.057 nan 8.190 nan 0.000 0.434 524 A N 3.818 126.591 122.820 -0.079 0.000 2.347 524 A HA 0.895 5.215 4.320 -0.000 0.000 0.301 524 A C -0.284 177.198 177.584 -0.169 0.000 1.163 524 A CA -0.721 51.263 52.037 -0.088 0.000 0.860 524 A CB 0.945 19.923 19.000 -0.037 0.000 1.367 524 A HN 0.554 nan 8.150 nan 0.000 0.461 525 E N 1.165 121.160 120.200 -0.341 0.000 2.316 525 E HA 0.133 4.483 4.350 -0.000 0.000 0.275 525 E C -0.470 175.843 176.600 -0.478 0.000 1.029 525 E CA -0.129 55.992 56.400 -0.465 0.000 0.871 525 E CB 0.990 30.289 29.700 -0.670 0.000 1.022 525 E HN 0.479 nan 8.360 nan 0.000 0.418 526 K N 4.879 125.139 120.400 -0.234 0.000 2.447 526 K HA 0.075 4.395 4.320 -0.000 0.000 0.281 526 K C -2.044 174.495 176.600 -0.101 0.000 1.031 526 K CA -1.011 55.202 56.287 -0.124 0.000 1.019 526 K CB 0.393 32.855 32.500 -0.064 0.000 0.918 526 K HN 0.226 nan 8.250 nan 0.000 0.476 527 P HA 0.117 nan 4.420 nan 0.000 0.278 527 P C -1.201 176.135 177.300 0.060 0.000 1.258 527 P CA -0.188 62.972 63.100 0.100 0.000 0.811 527 P CB 0.709 32.529 31.700 0.201 0.000 1.063 528 E N -1.163 119.079 120.200 0.070 0.000 2.389 528 E HA -0.201 4.149 4.350 -0.000 0.000 0.243 528 E C -0.012 176.603 176.600 0.025 0.000 1.154 528 E CA 0.527 56.952 56.400 0.041 0.000 0.723 528 E CB -1.254 28.465 29.700 0.032 0.000 1.261 528 E HN 0.473 nan 8.360 nan 0.000 0.390 529 K N 0.000 120.413 120.400 0.021 0.000 2.780 529 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 529 K CA 0.000 56.293 56.287 0.010 0.000 0.838 529 K CB 0.000 32.504 32.500 0.006 0.000 1.064 529 K HN 0.000 nan 8.250 nan 0.000 0.543