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 2c7c_1_J DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP 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 0.000 177.575 177.584 -0.016 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 3 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 4 K N 0.793 121.186 120.400 -0.013 0.000 2.295 4 K HA 0.671 4.991 4.320 0.000 0.000 0.239 4 K C -1.110 175.492 176.600 0.002 0.000 0.991 4 K CA -0.611 55.661 56.287 -0.025 0.000 0.845 4 K CB 1.891 34.372 32.500 -0.031 0.000 1.197 4 K HN 0.803 nan 8.250 nan 0.000 0.441 5 D N 0.035 120.443 120.400 0.015 0.000 2.277 5 D HA 0.501 5.142 4.640 0.000 0.000 0.250 5 D C -1.193 175.194 176.300 0.144 0.000 1.032 5 D CA -0.581 53.485 54.000 0.109 0.000 0.947 5 D CB 1.263 42.208 40.800 0.241 0.000 1.159 5 D HN 0.086 nan 8.370 nan 0.000 0.460 6 V N 2.464 122.449 119.914 0.117 0.000 2.733 6 V HA 0.452 4.572 4.120 0.000 0.000 0.306 6 V C -0.429 175.467 176.094 -0.331 0.000 1.084 6 V CA -0.825 61.435 62.300 -0.067 0.000 0.905 6 V CB 1.948 33.671 31.823 -0.166 0.000 1.010 6 V HN 0.487 nan 8.190 nan 0.000 0.424 7 K N 3.640 123.782 120.400 -0.430 0.000 2.435 7 K HA 0.800 5.120 4.320 0.000 0.000 0.251 7 K C -1.629 174.590 176.600 -0.635 0.000 0.954 7 K CA -0.543 55.377 56.287 -0.611 0.000 0.820 7 K CB 2.812 34.961 32.500 -0.585 0.000 1.292 7 K HN 0.475 nan 8.250 nan 0.000 0.436 8 F N -0.276 119.663 119.950 -0.019 0.000 2.598 8 F HA 0.488 5.015 4.527 0.000 0.000 0.327 8 F C 1.340 177.130 175.800 -0.016 0.000 1.057 8 F CA -0.174 57.825 58.000 -0.003 0.000 0.957 8 F CB 1.701 40.700 39.000 -0.002 0.000 1.278 8 F HN 0.800 nan 8.300 nan 0.000 0.484 9 G N 1.603 110.527 108.800 0.206 0.000 2.660 9 G HA2 -0.505 3.455 3.960 0.000 0.000 0.321 9 G HA3 -0.505 3.455 3.960 0.000 0.000 0.321 9 G C 0.932 175.867 174.900 0.060 0.000 1.246 9 G CA 1.294 46.460 45.100 0.109 0.000 1.000 9 G HN 0.816 nan 8.290 nan 0.000 0.550 10 N N 0.934 119.658 118.700 0.040 0.000 2.120 10 N HA -0.055 4.685 4.740 0.000 0.000 0.188 10 N C 1.840 177.346 175.510 -0.007 0.000 1.024 10 N CA 2.279 55.338 53.050 0.015 0.000 0.852 10 N CB -0.214 38.279 38.487 0.010 0.000 1.003 10 N HN 0.550 nan 8.380 nan 0.000 0.424 11 D N -0.057 120.330 120.400 -0.023 0.000 2.117 11 D HA -0.136 4.504 4.640 0.000 0.000 0.197 11 D C 1.780 178.010 176.300 -0.116 0.000 0.987 11 D CA 1.227 55.176 54.000 -0.084 0.000 0.829 11 D CB -0.310 40.419 40.800 -0.119 0.000 0.961 11 D HN 0.442 nan 8.370 nan 0.000 0.460 12 A N 1.647 124.422 122.820 -0.075 0.000 1.865 12 A HA -0.209 4.112 4.320 0.000 0.000 0.217 12 A C 2.234 179.821 177.584 0.005 0.000 1.191 12 A CA 1.281 53.299 52.037 -0.031 0.000 0.623 12 A CB -0.533 18.483 19.000 0.026 0.000 0.826 12 A HN 0.102 nan 8.150 nan 0.000 0.444 13 R N -0.817 119.690 120.500 0.011 0.000 2.081 13 R HA -0.092 4.248 4.340 0.000 0.000 0.235 13 R C 2.076 178.379 176.300 0.006 0.000 1.131 13 R CA 1.462 57.571 56.100 0.016 0.000 0.960 13 R CB -0.626 29.685 30.300 0.018 0.000 0.856 13 R HN 0.389 nan 8.270 nan 0.000 0.436 14 V N 1.650 121.559 119.914 -0.010 0.000 2.332 14 V HA -0.280 3.840 4.120 0.000 0.000 0.248 14 V C 2.277 178.365 176.094 -0.010 0.000 1.055 14 V CA 1.700 63.991 62.300 -0.014 0.000 1.038 14 V CB -0.352 31.453 31.823 -0.029 0.000 0.651 14 V HN 0.263 nan 8.190 nan 0.000 0.450 15 K N -0.684 119.705 120.400 -0.017 0.000 2.097 15 K HA -0.022 4.298 4.320 0.000 0.000 0.205 15 K C 2.111 178.739 176.600 0.047 0.000 1.050 15 K CA 1.360 57.657 56.287 0.015 0.000 0.938 15 K CB -0.405 32.101 32.500 0.011 0.000 0.718 15 K HN 0.435 nan 8.250 nan 0.000 0.442 16 M N 0.704 120.333 119.600 0.047 0.000 2.108 16 M HA -0.165 4.315 4.480 0.000 0.000 0.261 16 M C 2.348 178.667 176.300 0.031 0.000 1.066 16 M CA 1.283 56.609 55.300 0.044 0.000 1.107 16 M CB -0.380 32.245 32.600 0.042 0.000 1.356 16 M HN 0.101 nan 8.290 nan 0.000 0.406 17 L N 0.156 121.393 121.223 0.023 0.000 1.970 17 L HA -0.288 4.052 4.340 0.000 0.000 0.212 17 L C 2.723 179.603 176.870 0.017 0.000 1.071 17 L CA 1.707 56.557 54.840 0.017 0.000 0.751 17 L CB -0.301 41.765 42.059 0.011 0.000 0.889 17 L HN 0.263 nan 8.230 nan 0.000 0.432 18 R N -0.637 119.873 120.500 0.017 0.000 2.091 18 R HA -0.174 4.166 4.340 0.000 0.000 0.238 18 R C 2.185 178.498 176.300 0.021 0.000 1.136 18 R CA 1.322 57.432 56.100 0.017 0.000 0.959 18 R CB -0.895 29.415 30.300 0.017 0.000 0.856 18 R HN 0.569 nan 8.270 nan 0.000 0.437 19 G N 0.457 109.274 108.800 0.029 0.000 2.446 19 G HA2 -0.283 3.678 3.960 0.000 0.000 0.217 19 G HA3 -0.283 3.678 3.960 0.000 0.000 0.217 19 G C 1.419 176.333 174.900 0.023 0.000 1.168 19 G CA 0.905 46.022 45.100 0.029 0.000 0.771 19 G HN 0.279 nan 8.290 nan 0.000 0.551 20 V N 0.710 120.638 119.914 0.023 0.000 2.358 20 V HA -0.126 3.994 4.120 0.000 0.000 0.246 20 V C 2.373 178.477 176.094 0.018 0.000 1.047 20 V CA 2.737 65.049 62.300 0.021 0.000 1.035 20 V CB -0.461 31.375 31.823 0.022 0.000 0.658 20 V HN 0.482 nan 8.190 nan 0.000 0.452 21 N N -0.930 117.780 118.700 0.016 0.000 2.216 21 N HA -0.099 4.641 4.740 0.000 0.000 0.183 21 N C 1.600 177.117 175.510 0.012 0.000 1.017 21 N CA 1.418 54.477 53.050 0.013 0.000 0.861 21 N CB 0.045 38.539 38.487 0.012 0.000 0.986 21 N HN 0.371 nan 8.380 nan 0.000 0.428 22 V N 1.200 121.122 119.914 0.012 0.000 2.427 22 V HA -0.147 3.974 4.120 0.000 0.000 0.248 22 V C 2.227 178.326 176.094 0.009 0.000 1.051 22 V CA 0.949 63.255 62.300 0.010 0.000 1.048 22 V CB -0.575 31.254 31.823 0.011 0.000 0.666 22 V HN 0.447 nan 8.190 nan 0.000 0.456 23 L N 0.875 122.104 121.223 0.011 0.000 2.012 23 L HA -0.165 4.175 4.340 0.000 0.000 0.210 23 L C 2.547 179.422 176.870 0.009 0.000 1.073 23 L CA 2.803 57.649 54.840 0.010 0.000 0.748 23 L CB -1.319 40.748 42.059 0.012 0.000 0.891 23 L HN 0.332 nan 8.230 nan 0.000 0.431 24 A N -0.104 122.722 122.820 0.011 0.000 1.865 24 A HA -0.251 4.070 4.320 0.000 0.000 0.217 24 A C 1.915 179.504 177.584 0.009 0.000 1.191 24 A CA 1.897 53.941 52.037 0.011 0.000 0.623 24 A CB -0.837 18.171 19.000 0.013 0.000 0.826 24 A HN 0.536 nan 8.150 nan 0.000 0.444 25 D N -0.020 120.385 120.400 0.008 0.000 2.182 25 D HA -0.097 4.544 4.640 0.000 0.000 0.201 25 D C 2.167 178.470 176.300 0.006 0.000 0.986 25 D CA 1.507 55.511 54.000 0.007 0.000 0.847 25 D CB -0.350 40.454 40.800 0.007 0.000 0.942 25 D HN 0.458 nan 8.370 nan 0.000 0.467 26 A N 0.528 123.351 122.820 0.005 0.000 1.832 26 A HA -0.092 4.228 4.320 0.000 0.000 0.214 26 A C 2.414 180.000 177.584 0.003 0.000 1.204 26 A CA 1.107 53.146 52.037 0.004 0.000 0.606 26 A CB -0.915 18.087 19.000 0.003 0.000 0.849 26 A HN 0.160 nan 8.150 nan 0.000 0.445 27 V N 1.495 121.411 119.914 0.004 0.000 2.626 27 V HA -0.204 3.916 4.120 0.000 0.000 0.252 27 V C 2.509 178.605 176.094 0.003 0.000 1.067 27 V CA 2.445 64.747 62.300 0.003 0.000 1.081 27 V CB -0.677 31.148 31.823 0.003 0.000 0.686 27 V HN 0.811 nan 8.190 nan 0.000 0.468 28 K N 0.530 120.933 120.400 0.005 0.000 2.283 28 K HA -0.081 4.239 4.320 0.000 0.000 0.202 28 K C 1.759 178.363 176.600 0.005 0.000 1.048 28 K CA 1.772 58.063 56.287 0.006 0.000 0.948 28 K CB -0.735 31.770 32.500 0.008 0.000 0.742 28 K HN 0.506 nan 8.250 nan 0.000 0.458 29 V N 0.428 120.344 119.914 0.004 0.000 3.141 29 V HA -0.135 3.986 4.120 0.000 0.000 0.265 29 V C 2.244 178.339 176.094 0.002 0.000 1.126 29 V CA 1.685 63.987 62.300 0.004 0.000 1.141 29 V CB -1.059 30.766 31.823 0.004 0.000 0.743 29 V HN 0.541 nan 8.190 nan 0.000 0.492 30 T N -1.789 112.766 114.554 0.001 0.000 2.985 30 T HA -0.034 4.316 4.350 0.000 0.000 0.266 30 T C 1.747 176.446 174.700 -0.002 0.000 1.076 30 T CA 1.285 63.384 62.100 -0.001 0.000 1.135 30 T CB -0.397 68.470 68.868 -0.002 0.000 0.890 30 T HN 0.427 nan 8.240 nan 0.000 0.480 31 L N 2.193 123.416 121.223 0.000 0.000 2.450 31 L HA 0.343 4.683 4.340 0.000 0.000 0.224 31 L C 1.285 178.154 176.870 -0.002 0.000 1.149 31 L CA 0.240 55.080 54.840 -0.000 0.000 0.816 31 L CB -1.069 40.993 42.059 0.004 0.000 0.932 31 L HN 0.430 nan 8.230 nan 0.000 0.449 32 G N -1.098 107.701 108.800 -0.002 0.000 2.444 32 G HA2 0.345 4.305 3.960 0.000 0.000 0.268 32 G HA3 0.345 4.305 3.960 0.000 0.000 0.268 32 G C -1.684 173.207 174.900 -0.015 0.000 1.203 32 G CA -0.550 44.547 45.100 -0.004 0.000 0.835 32 G HN 0.141 nan 8.290 nan 0.000 0.543 33 P HA -0.051 nan 4.420 nan 0.000 0.217 33 P C 0.664 177.945 177.300 -0.032 0.000 1.150 33 P CA 1.093 64.171 63.100 -0.037 0.000 0.832 33 P CB 0.363 32.028 31.700 -0.058 0.000 0.787 34 K N 0.858 121.240 120.400 -0.030 0.000 3.141 34 K HA 0.321 4.641 4.320 0.000 0.000 0.248 34 K C 0.934 177.527 176.600 -0.012 0.000 1.282 34 K CA -0.420 55.854 56.287 -0.022 0.000 1.251 34 K CB 0.047 32.533 32.500 -0.024 0.000 1.533 34 K HN 0.069 nan 8.250 nan 0.000 0.409 35 G N 1.008 109.802 108.800 -0.011 0.000 2.569 35 G HA2 0.124 4.084 3.960 0.000 0.000 0.249 35 G HA3 0.124 4.084 3.960 0.000 0.000 0.249 35 G C 0.050 174.948 174.900 -0.004 0.000 1.216 35 G CA -0.659 44.438 45.100 -0.006 0.000 0.845 35 G HN 0.228 nan 8.290 nan 0.000 0.568 36 R N 0.628 121.127 120.500 -0.001 0.000 2.560 36 R HA 0.220 4.560 4.340 0.000 0.000 0.270 36 R C 0.275 176.574 176.300 -0.001 0.000 1.074 36 R CA -0.613 55.487 56.100 -0.001 0.000 1.140 36 R CB 0.325 30.626 30.300 0.001 0.000 1.073 36 R HN 0.610 nan 8.270 nan 0.000 0.527 37 N N 0.115 118.814 118.700 -0.001 0.000 2.463 37 N HA 0.340 5.080 4.740 0.000 0.000 0.270 37 N C -0.396 175.114 175.510 -0.000 0.000 1.205 37 N CA -0.455 52.595 53.050 -0.001 0.000 0.974 37 N CB 1.188 39.675 38.487 -0.001 0.000 1.197 37 N HN 0.101 nan 8.380 nan 0.000 0.504 38 V N 0.597 120.511 119.914 -0.000 0.000 2.876 38 V HA 0.361 4.481 4.120 0.000 0.000 0.312 38 V C -0.206 175.888 176.094 0.000 0.000 1.085 38 V CA -0.874 61.426 62.300 0.000 0.000 0.945 38 V CB 2.307 34.130 31.823 0.000 0.000 1.017 38 V HN 0.334 nan 8.190 nan 0.000 0.428 39 V N 4.838 124.752 119.914 0.000 0.000 2.398 39 V HA 0.497 4.617 4.120 0.000 0.000 0.286 39 V C -0.685 175.409 176.094 -0.000 0.000 1.026 39 V CA -0.608 61.692 62.300 0.001 0.000 0.868 39 V CB 1.542 33.366 31.823 0.001 0.000 0.982 39 V HN 0.486 nan 8.190 nan 0.000 0.443 40 L N 3.591 124.813 121.223 -0.000 0.000 2.319 40 L HA 0.479 4.819 4.340 0.000 0.000 0.281 40 L C 0.034 176.903 176.870 -0.002 0.000 1.005 40 L CA -0.300 54.539 54.840 -0.002 0.000 0.828 40 L CB 1.125 43.183 42.059 -0.002 0.000 1.227 40 L HN 0.697 nan 8.230 nan 0.000 0.415 41 D N 3.331 123.727 120.400 -0.006 0.000 2.406 41 D HA 0.174 4.814 4.640 0.000 0.000 0.234 41 D C -0.304 175.989 176.300 -0.012 0.000 1.196 41 D CA 0.794 54.788 54.000 -0.009 0.000 0.881 41 D CB 0.843 41.634 40.800 -0.015 0.000 1.205 41 D HN 0.476 nan 8.370 nan 0.000 0.453 42 K N 0.250 120.641 120.400 -0.015 0.000 2.570 42 K HA 0.216 4.536 4.320 0.000 0.000 0.256 42 K C 0.080 176.657 176.600 -0.039 0.000 0.939 42 K CA -0.462 55.814 56.287 -0.018 0.000 0.833 42 K CB 1.113 33.620 32.500 0.011 0.000 1.318 42 K HN 0.233 nan 8.250 nan 0.000 0.433 43 S N 2.619 118.251 115.700 -0.114 0.000 2.515 43 S HA 0.126 4.596 4.470 0.000 0.000 0.231 43 S C -0.074 174.337 174.600 -0.315 0.000 0.987 43 S CA 0.582 58.626 58.200 -0.260 0.000 0.936 43 S CB -0.195 62.752 63.200 -0.421 0.000 0.766 43 S HN 0.394 nan 8.310 nan 0.000 0.528 44 F N -0.826 119.124 119.950 -0.001 0.000 2.599 44 F HA 0.573 5.101 4.527 0.001 0.000 0.311 44 F C 1.213 177.012 175.800 -0.001 0.000 1.076 44 F CA -0.492 57.507 58.000 -0.001 0.000 0.937 44 F CB 1.753 40.753 39.000 -0.001 0.000 1.282 44 F HN 0.158 nan 8.300 nan 0.000 0.460 45 G N 1.601 110.526 108.800 0.209 0.000 3.377 45 G HA2 0.042 4.003 3.960 0.000 0.000 0.304 45 G HA3 0.042 4.003 3.960 0.000 0.000 0.304 45 G C -0.469 174.475 174.900 0.073 0.000 1.366 45 G CA 0.156 45.317 45.100 0.102 0.000 1.020 45 G HN 1.635 nan 8.290 nan 0.000 0.621 46 A N 0.526 123.381 122.820 0.059 0.000 2.608 46 A HA 0.809 5.129 4.320 0.000 0.000 0.292 46 A C -2.853 174.749 177.584 0.029 0.000 1.066 46 A CA 0.167 52.227 52.037 0.037 0.000 0.676 46 A CB 1.292 20.309 19.000 0.027 0.000 1.277 46 A HN 0.986 nan 8.150 nan 0.000 0.413 47 P HA 0.335 nan 4.420 nan 0.000 0.272 47 P C -0.448 176.859 177.300 0.011 0.000 1.230 47 P CA 0.204 63.311 63.100 0.012 0.000 0.788 47 P CB 0.473 32.177 31.700 0.007 0.000 0.949 48 T N 2.740 117.299 114.554 0.008 0.000 2.747 48 T HA 0.383 4.733 4.350 0.000 0.000 0.301 48 T C 0.594 175.296 174.700 0.004 0.000 0.952 48 T CA -0.274 61.830 62.100 0.007 0.000 0.983 48 T CB -0.395 68.477 68.868 0.006 0.000 0.930 48 T HN 0.207 nan 8.240 nan 0.000 0.494 49 I N 3.134 123.706 120.570 0.004 0.000 2.441 49 I HA 0.444 4.614 4.170 0.000 0.000 0.287 49 I C 0.838 176.956 176.117 0.001 0.000 1.049 49 I CA -0.102 61.200 61.300 0.002 0.000 1.381 49 I CB 0.988 38.989 38.000 0.002 0.000 1.409 49 I HN 0.496 nan 8.210 nan 0.000 0.523 50 T N 4.225 118.779 114.554 0.000 0.000 2.802 50 T HA 0.311 4.662 4.350 0.000 0.000 0.311 50 T C 0.073 174.772 174.700 -0.001 0.000 1.405 50 T CA -0.708 61.392 62.100 -0.001 0.000 1.016 50 T CB 1.626 70.493 68.868 -0.000 0.000 1.352 50 T HN 0.653 nan 8.240 nan 0.000 0.498 51 K N 0.634 121.032 120.400 -0.002 0.000 2.358 51 K HA 0.165 4.486 4.320 0.000 0.000 0.197 51 K C -0.258 176.339 176.600 -0.004 0.000 1.025 51 K CA -0.232 56.053 56.287 -0.003 0.000 1.104 51 K CB 0.287 32.784 32.500 -0.005 0.000 0.855 51 K HN 0.433 nan 8.250 nan 0.000 0.531 52 D N 0.692 121.090 120.400 -0.003 0.000 2.346 52 D HA 0.021 4.661 4.640 0.000 0.000 0.260 52 D C 1.141 177.439 176.300 -0.004 0.000 1.252 52 D CA 0.033 54.031 54.000 -0.004 0.000 0.895 52 D CB 1.167 41.965 40.800 -0.003 0.000 1.097 52 D HN 0.191 nan 8.370 nan 0.000 0.489 53 G N 2.630 111.427 108.800 -0.005 0.000 2.448 53 G HA2 -0.173 3.787 3.960 0.000 0.000 0.219 53 G HA3 -0.173 3.787 3.960 0.000 0.000 0.219 53 G C 1.461 176.357 174.900 -0.006 0.000 1.127 53 G CA 0.626 45.723 45.100 -0.005 0.000 0.766 53 G HN 0.484 nan 8.290 nan 0.000 0.552 54 V N 0.987 120.896 119.914 -0.008 0.000 2.283 54 V HA -0.157 3.963 4.120 0.000 0.000 0.243 54 V C 3.055 179.144 176.094 -0.008 0.000 1.039 54 V CA 2.157 64.451 62.300 -0.010 0.000 1.016 54 V CB -0.657 31.159 31.823 -0.011 0.000 0.650 54 V HN 0.351 nan 8.190 nan 0.000 0.449 55 S N 0.076 115.772 115.700 -0.006 0.000 2.359 55 S HA -0.181 4.289 4.470 0.000 0.000 0.224 55 S C 2.049 176.646 174.600 -0.005 0.000 1.035 55 S CA 1.600 59.797 58.200 -0.006 0.000 1.018 55 S CB -0.323 62.875 63.200 -0.004 0.000 0.876 55 S HN 0.351 nan 8.310 nan 0.000 0.448 56 V N 2.016 121.928 119.914 -0.004 0.000 2.287 56 V HA -0.230 3.890 4.120 0.000 0.000 0.248 56 V C 2.644 178.736 176.094 -0.002 0.000 1.053 56 V CA 1.774 64.072 62.300 -0.003 0.000 1.027 56 V CB -1.243 30.579 31.823 -0.002 0.000 0.646 56 V HN 0.547 nan 8.190 nan 0.000 0.447 57 A N -0.135 122.684 122.820 -0.003 0.000 1.858 57 A HA -0.269 4.051 4.320 0.000 0.000 0.216 57 A C 2.412 179.994 177.584 -0.003 0.000 1.190 57 A CA 2.097 54.133 52.037 -0.002 0.000 0.617 57 A CB -0.638 18.361 19.000 -0.001 0.000 0.827 57 A HN 0.464 nan 8.150 nan 0.000 0.443 58 R N -0.602 119.895 120.500 -0.006 0.000 2.103 58 R HA -0.223 4.117 4.340 0.000 0.000 0.242 58 R C 2.021 178.316 176.300 -0.008 0.000 1.142 58 R CA 1.990 58.085 56.100 -0.008 0.000 0.960 58 R CB -0.187 30.107 30.300 -0.011 0.000 0.858 58 R HN 0.522 nan 8.270 nan 0.000 0.439 59 E N 0.089 120.285 120.200 -0.007 0.000 2.285 59 E HA -0.001 4.349 4.350 0.000 0.000 0.194 59 E C -0.032 176.563 176.600 -0.008 0.000 0.997 59 E CA 0.245 56.640 56.400 -0.008 0.000 0.845 59 E CB 0.132 29.828 29.700 -0.007 0.000 0.782 59 E HN 0.178 nan 8.360 nan 0.000 0.491 60 I N 2.375 122.942 120.570 -0.005 0.000 2.517 60 I HA 0.052 4.222 4.170 0.000 0.000 0.285 60 I C 0.361 176.475 176.117 -0.005 0.000 1.106 60 I CA 0.743 62.041 61.300 -0.003 0.000 1.402 60 I CB 0.384 38.384 38.000 0.000 0.000 1.399 60 I HN 0.179 nan 8.210 nan 0.000 0.535 61 E N 8.424 128.620 120.200 -0.006 0.000 3.124 61 E HA 0.162 4.512 4.350 0.000 0.000 0.331 61 E C -1.192 175.403 176.600 -0.009 0.000 1.139 61 E CA -0.283 56.111 56.400 -0.010 0.000 0.949 61 E CB 0.385 30.077 29.700 -0.014 0.000 1.423 61 E HN 0.489 nan 8.360 nan 0.000 0.388 62 L N 1.653 122.874 121.223 -0.003 0.000 2.483 62 L HA 0.116 4.456 4.340 0.000 0.000 0.275 62 L C 1.897 178.768 176.870 0.001 0.000 1.220 62 L CA 0.265 55.106 54.840 0.003 0.000 0.833 62 L CB 0.461 42.527 42.059 0.012 0.000 1.102 62 L HN 0.483 nan 8.230 nan 0.000 0.490 63 E N 0.830 121.033 120.200 0.004 0.000 2.106 63 E HA -0.183 4.167 4.350 0.000 0.000 0.192 63 E C 0.526 177.135 176.600 0.015 0.000 0.984 63 E CA 0.480 56.882 56.400 0.004 0.000 0.806 63 E CB 0.255 29.957 29.700 0.003 0.000 0.750 63 E HN 0.618 nan 8.360 nan 0.000 0.458 64 D N 0.637 121.056 120.400 0.033 0.000 2.339 64 D HA -0.021 4.620 4.640 0.000 0.000 0.256 64 D C 0.329 176.667 176.300 0.064 0.000 1.214 64 D CA 0.147 54.188 54.000 0.069 0.000 0.877 64 D CB 0.963 41.816 40.800 0.088 0.000 1.111 64 D HN 0.046 nan 8.370 nan 0.000 0.478 65 K N 2.864 123.282 120.400 0.030 0.000 2.365 65 K HA -0.071 4.249 4.320 0.000 0.000 0.199 65 K C 1.501 178.019 176.600 -0.136 0.000 1.045 65 K CA 0.770 57.005 56.287 -0.088 0.000 0.962 65 K CB 0.187 32.581 32.500 -0.177 0.000 0.759 65 K HN 0.439 nan 8.250 nan 0.000 0.469 66 F N 1.511 121.444 119.950 -0.028 0.000 2.234 66 F HA -0.046 4.481 4.527 -0.000 0.000 0.296 66 F C 2.071 177.859 175.800 -0.021 0.000 1.089 66 F CA 0.922 58.904 58.000 -0.030 0.000 1.343 66 F CB -0.066 38.911 39.000 -0.039 0.000 1.040 66 F HN 0.020 nan 8.300 nan 0.000 0.498 67 E N -0.036 120.268 120.200 0.172 0.000 2.107 67 E HA -0.194 4.156 4.350 0.000 0.000 0.191 67 E C 1.830 178.460 176.600 0.049 0.000 0.982 67 E CA 0.882 57.335 56.400 0.088 0.000 0.809 67 E CB -0.288 29.452 29.700 0.066 0.000 0.756 67 E HN 0.228 nan 8.360 nan 0.000 0.459 68 N N 1.146 119.865 118.700 0.031 0.000 2.120 68 N HA -0.147 4.593 4.740 0.000 0.000 0.188 68 N C 1.766 177.272 175.510 -0.007 0.000 1.024 68 N CA 1.174 54.225 53.050 0.003 0.000 0.852 68 N CB -0.066 38.411 38.487 -0.016 0.000 1.003 68 N HN 0.135 nan 8.380 nan 0.000 0.424 69 M N -0.262 119.327 119.600 -0.018 0.000 2.073 69 M HA -0.150 4.330 4.480 0.000 0.000 0.258 69 M C 2.142 178.447 176.300 0.009 0.000 1.070 69 M CA 2.016 57.305 55.300 -0.019 0.000 1.103 69 M CB -0.787 31.793 32.600 -0.033 0.000 1.321 69 M HN 0.254 nan 8.290 nan 0.000 0.405 70 G N -0.537 108.281 108.800 0.030 0.000 2.421 70 G HA2 -0.143 3.817 3.960 0.000 0.000 0.216 70 G HA3 -0.143 3.817 3.960 0.000 0.000 0.216 70 G C 1.568 176.482 174.900 0.023 0.000 1.171 70 G CA 1.038 46.157 45.100 0.032 0.000 0.775 70 G HN 0.570 nan 8.290 nan 0.000 0.543 71 A N 0.081 122.913 122.820 0.020 0.000 1.883 71 A HA -0.103 4.218 4.320 0.000 0.000 0.217 71 A C 2.389 179.980 177.584 0.011 0.000 1.186 71 A CA 1.967 54.013 52.037 0.014 0.000 0.624 71 A CB -0.435 18.572 19.000 0.011 0.000 0.822 71 A HN 0.339 nan 8.150 nan 0.000 0.444 72 Q N -0.811 118.993 119.800 0.005 0.000 2.084 72 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 72 Q C 2.227 178.233 176.000 0.009 0.000 0.978 72 Q CA 1.761 57.565 55.803 0.002 0.000 0.844 72 Q CB -0.416 28.317 28.738 -0.008 0.000 0.898 72 Q HN 0.791 nan 8.270 nan 0.000 0.426 73 M N -0.277 119.331 119.600 0.013 0.000 2.065 73 M HA -0.186 4.294 4.480 0.000 0.000 0.259 73 M C 2.324 178.642 176.300 0.030 0.000 1.069 73 M CA 1.376 56.688 55.300 0.020 0.000 1.110 73 M CB -0.458 32.154 32.600 0.020 0.000 1.328 73 M HN -0.031 nan 8.290 nan 0.000 0.405 74 V N 0.270 120.202 119.914 0.029 0.000 2.427 74 V HA -0.241 3.879 4.120 0.000 0.000 0.248 74 V C 2.174 178.287 176.094 0.031 0.000 1.051 74 V CA 1.697 64.017 62.300 0.034 0.000 1.048 74 V CB -0.721 31.119 31.823 0.029 0.000 0.666 74 V HN 0.432 nan 8.190 nan 0.000 0.456 75 K N 0.120 120.533 120.400 0.021 0.000 2.002 75 K HA -0.250 4.070 4.320 0.000 0.000 0.209 75 K C 2.258 178.870 176.600 0.020 0.000 1.048 75 K CA 1.985 58.281 56.287 0.015 0.000 0.930 75 K CB -0.213 32.291 32.500 0.007 0.000 0.714 75 K HN 0.556 nan 8.250 nan 0.000 0.438 76 E N 0.739 120.954 120.200 0.026 0.000 2.051 76 E HA -0.182 4.168 4.350 0.000 0.000 0.192 76 E C 1.928 178.568 176.600 0.066 0.000 0.991 76 E CA 1.220 57.642 56.400 0.036 0.000 0.799 76 E CB 0.125 29.845 29.700 0.032 0.000 0.748 76 E HN 0.025 nan 8.360 nan 0.000 0.449 77 V N 1.140 121.107 119.914 0.088 0.000 2.407 77 V HA -0.266 3.854 4.120 0.000 0.000 0.248 77 V C 2.410 178.581 176.094 0.128 0.000 1.055 77 V CA 1.837 64.237 62.300 0.168 0.000 1.049 77 V CB -0.677 31.235 31.823 0.148 0.000 0.662 77 V HN 0.471 nan 8.190 nan 0.000 0.455 78 A N -1.040 121.812 122.820 0.053 0.000 1.969 78 A HA -0.186 4.134 4.320 0.000 0.000 0.218 78 A C 2.530 180.091 177.584 -0.038 0.000 1.169 78 A CA 1.958 53.995 52.037 0.001 0.000 0.635 78 A CB -0.615 18.388 19.000 0.005 0.000 0.810 78 A HN 0.474 nan 8.150 nan 0.000 0.445 79 S N -0.263 115.426 115.700 -0.018 0.000 2.348 79 S HA -0.162 4.308 4.470 0.000 0.000 0.221 79 S C 1.967 176.530 174.600 -0.063 0.000 1.033 79 S CA 1.745 59.925 58.200 -0.033 0.000 1.010 79 S CB -0.283 62.911 63.200 -0.011 0.000 0.891 79 S HN 0.595 nan 8.310 nan 0.000 0.442 80 K N 0.748 121.134 120.400 -0.022 0.000 2.365 80 K HA 0.122 4.442 4.320 0.000 0.000 0.199 80 K C 2.179 178.564 176.600 -0.358 0.000 1.045 80 K CA 0.720 57.002 56.287 -0.010 0.000 0.962 80 K CB -0.217 32.399 32.500 0.194 0.000 0.759 80 K HN 0.432 nan 8.250 nan 0.000 0.469 81 A N 1.936 124.372 122.820 -0.640 0.000 1.873 81 A HA -0.192 4.128 4.320 0.000 0.000 0.215 81 A C 2.028 179.333 177.584 -0.465 0.000 1.186 81 A CA 1.456 52.897 52.037 -0.993 0.000 0.616 81 A CB -0.472 18.178 19.000 -0.584 0.000 0.823 81 A HN 0.234 nan 8.150 nan 0.000 0.442 82 N N 0.423 118.970 118.700 -0.254 0.000 2.142 82 N HA -0.151 4.589 4.740 0.000 0.000 0.186 82 N C 1.088 176.523 175.510 -0.125 0.000 1.023 82 N CA 1.508 54.469 53.050 -0.149 0.000 0.852 82 N CB -0.434 37.997 38.487 -0.094 0.000 0.998 82 N HN 0.439 nan 8.380 nan 0.000 0.424 83 D N 0.159 120.487 120.400 -0.119 0.000 2.265 83 D HA -0.116 4.525 4.640 0.000 0.000 0.208 83 D C 0.663 176.917 176.300 -0.076 0.000 0.977 83 D CA 0.775 54.727 54.000 -0.080 0.000 0.871 83 D CB 0.053 40.825 40.800 -0.048 0.000 0.925 83 D HN 0.347 nan 8.370 nan 0.000 0.485 84 A N -0.581 122.163 122.820 -0.127 0.000 2.507 84 A HA 0.572 4.892 4.320 0.000 0.000 0.270 84 A C 1.207 178.738 177.584 -0.088 0.000 1.318 84 A CA 0.529 52.512 52.037 -0.089 0.000 0.924 84 A CB 0.528 19.472 19.000 -0.093 0.000 1.061 84 A HN 0.178 nan 8.150 nan 0.000 0.516 85 A N -2.676 120.093 122.820 -0.086 0.000 1.535 85 A HA 0.489 4.809 4.320 0.000 0.000 0.215 85 A C 1.601 179.161 177.584 -0.040 0.000 1.813 85 A CA 0.907 52.905 52.037 -0.066 0.000 1.373 85 A CB -0.530 18.410 19.000 -0.099 0.000 1.304 85 A HN 1.828 nan 8.150 nan 0.000 0.391 86 G N -0.859 107.916 108.800 -0.042 0.000 2.176 86 G HA2 -0.119 3.841 3.960 0.000 0.000 0.232 86 G HA3 -0.119 3.841 3.960 0.000 0.000 0.232 86 G C -0.133 174.757 174.900 -0.017 0.000 0.986 86 G CA 0.851 45.940 45.100 -0.018 0.000 0.643 86 G HN 0.953 nan 8.290 nan 0.000 0.522 87 D N -2.545 117.835 120.400 -0.034 0.000 2.992 87 D HA 0.461 5.101 4.640 0.000 0.000 0.349 87 D C 1.052 177.324 176.300 -0.046 0.000 1.393 87 D CA 0.576 54.557 54.000 -0.030 0.000 0.887 87 D CB 0.495 41.284 40.800 -0.019 0.000 1.447 87 D HN 1.306 nan 8.370 nan 0.000 0.524 88 G N -0.313 108.465 108.800 -0.036 0.000 2.175 88 G HA2 -0.301 3.660 3.960 0.000 0.000 0.244 88 G HA3 -0.301 3.660 3.960 0.000 0.000 0.244 88 G C 0.981 175.858 174.900 -0.039 0.000 0.982 88 G CA 1.279 46.356 45.100 -0.038 0.000 0.641 88 G HN 0.495 nan 8.290 nan 0.000 0.527 89 T N 1.032 115.563 114.554 -0.039 0.000 2.570 89 T HA -0.213 4.137 4.350 0.000 0.000 0.266 89 T C 2.458 177.148 174.700 -0.017 0.000 1.071 89 T CA 2.595 64.675 62.100 -0.033 0.000 1.172 89 T CB -0.744 68.108 68.868 -0.027 0.000 0.864 89 T HN 0.488 nan 8.240 nan 0.000 0.421 90 T N 1.840 116.387 114.554 -0.011 0.000 2.788 90 T HA -0.103 4.247 4.350 0.000 0.000 0.268 90 T C 2.320 177.021 174.700 0.001 0.000 1.044 90 T CA 1.637 63.735 62.100 -0.003 0.000 1.139 90 T CB -0.784 68.082 68.868 -0.003 0.000 0.867 90 T HN 0.467 nan 8.240 nan 0.000 0.454 91 T N 2.233 116.786 114.554 -0.001 0.000 2.684 91 T HA -0.089 4.261 4.350 0.000 0.000 0.267 91 T C 2.434 177.140 174.700 0.011 0.000 1.036 91 T CA 1.232 63.335 62.100 0.004 0.000 1.148 91 T CB -0.644 68.225 68.868 0.001 0.000 0.863 91 T HN 0.452 nan 8.240 nan 0.000 0.436 92 A N 1.523 124.347 122.820 0.006 0.000 1.883 92 A HA -0.169 4.152 4.320 0.000 0.000 0.217 92 A C 2.597 180.200 177.584 0.031 0.000 1.186 92 A CA 2.278 54.328 52.037 0.023 0.000 0.624 92 A CB -1.395 17.610 19.000 0.009 0.000 0.822 92 A HN 0.490 nan 8.150 nan 0.000 0.444 93 T N -0.457 114.110 114.554 0.022 0.000 2.708 93 T HA -0.112 4.238 4.350 0.000 0.000 0.266 93 T C 1.850 176.563 174.700 0.021 0.000 1.037 93 T CA 1.566 63.680 62.100 0.023 0.000 1.146 93 T CB -0.441 68.436 68.868 0.016 0.000 0.865 93 T HN 0.140 nan 8.240 nan 0.000 0.435 94 V N 1.335 121.260 119.914 0.018 0.000 2.490 94 V HA -0.086 4.034 4.120 0.000 0.000 0.250 94 V C 2.400 178.506 176.094 0.021 0.000 1.061 94 V CA 1.304 63.615 62.300 0.017 0.000 1.064 94 V CB -0.628 31.204 31.823 0.015 0.000 0.670 94 V HN 0.425 nan 8.190 nan 0.000 0.461 95 L N -0.147 121.091 121.223 0.024 0.000 2.005 95 L HA -0.101 4.240 4.340 0.000 0.000 0.207 95 L C 2.783 179.671 176.870 0.029 0.000 1.072 95 L CA 1.563 56.419 54.840 0.028 0.000 0.744 95 L CB -0.874 41.205 42.059 0.033 0.000 0.895 95 L HN 0.331 nan 8.230 nan 0.000 0.433 96 A N -0.360 122.480 122.820 0.033 0.000 1.892 96 A HA -0.326 3.994 4.320 0.000 0.000 0.218 96 A C 2.253 179.853 177.584 0.026 0.000 1.188 96 A CA 2.115 54.172 52.037 0.034 0.000 0.631 96 A CB -0.811 18.213 19.000 0.040 0.000 0.822 96 A HN 0.539 nan 8.150 nan 0.000 0.447 97 Q N -0.434 119.380 119.800 0.024 0.000 2.047 97 Q HA -0.269 4.071 4.340 0.000 0.000 0.211 97 Q C 2.079 178.090 176.000 0.018 0.000 1.005 97 Q CA 2.562 58.376 55.803 0.020 0.000 0.866 97 Q CB -0.410 28.338 28.738 0.018 0.000 0.938 97 Q HN 0.601 nan 8.270 nan 0.000 0.414 98 A N -0.222 122.609 122.820 0.019 0.000 2.119 98 A HA 0.015 4.336 4.320 0.000 0.000 0.216 98 A C 1.854 179.448 177.584 0.017 0.000 1.152 98 A CA 0.658 52.706 52.037 0.017 0.000 0.708 98 A CB -0.281 18.729 19.000 0.017 0.000 0.805 98 A HN 0.498 nan 8.150 nan 0.000 0.460 99 I N -0.877 119.705 120.570 0.019 0.000 2.339 99 I HA -0.123 4.047 4.170 0.000 0.000 0.245 99 I C 2.167 178.293 176.117 0.016 0.000 1.096 99 I CA 0.977 62.288 61.300 0.018 0.000 1.408 99 I CB -0.259 37.753 38.000 0.020 0.000 1.092 99 I HN 0.224 nan 8.210 nan 0.000 0.423 100 I N 0.440 121.021 120.570 0.018 0.000 2.233 100 I HA -0.206 3.965 4.170 0.000 0.000 0.243 100 I C 2.434 178.560 176.117 0.015 0.000 1.093 100 I CA 1.396 62.706 61.300 0.017 0.000 1.380 100 I CB -0.491 37.520 38.000 0.019 0.000 1.067 100 I HN 0.149 nan 8.210 nan 0.000 0.413 101 T N 0.222 114.784 114.554 0.014 0.000 2.929 101 T HA -0.109 4.241 4.350 0.000 0.000 0.271 101 T C 1.677 176.384 174.700 0.011 0.000 1.085 101 T CA 1.069 63.176 62.100 0.012 0.000 1.125 101 T CB -0.100 68.775 68.868 0.012 0.000 0.874 101 T HN 0.292 nan 8.240 nan 0.000 0.494 102 E N 0.299 120.506 120.200 0.011 0.000 2.201 102 E HA 0.140 4.490 4.350 0.000 0.000 0.193 102 E C 2.524 179.130 176.600 0.010 0.000 0.957 102 E CA 0.539 56.945 56.400 0.010 0.000 0.858 102 E CB -0.481 29.225 29.700 0.010 0.000 0.816 102 E HN 0.506 nan 8.360 nan 0.000 0.475 103 G N 1.153 109.959 108.800 0.011 0.000 2.403 103 G HA2 -0.160 3.800 3.960 0.000 0.000 0.216 103 G HA3 -0.160 3.800 3.960 0.000 0.000 0.216 103 G C 1.560 176.466 174.900 0.010 0.000 1.154 103 G CA 0.296 45.403 45.100 0.011 0.000 0.784 103 G HN 0.091 nan 8.290 nan 0.000 0.538 104 L N 0.700 121.930 121.223 0.011 0.000 2.056 104 L HA 0.100 4.440 4.340 0.000 0.000 0.207 104 L C 2.622 179.497 176.870 0.008 0.000 1.078 104 L CA 1.555 56.402 54.840 0.011 0.000 0.749 104 L CB -0.547 41.519 42.059 0.012 0.000 0.901 104 L HN 0.201 nan 8.230 nan 0.000 0.433 105 K N -0.297 120.107 120.400 0.007 0.000 2.103 105 K HA -0.212 4.108 4.320 0.000 0.000 0.207 105 K C 2.035 178.638 176.600 0.006 0.000 1.048 105 K CA 1.419 57.709 56.287 0.006 0.000 0.930 105 K CB -0.049 32.455 32.500 0.006 0.000 0.716 105 K HN 0.295 nan 8.250 nan 0.000 0.444 106 A N 0.632 123.456 122.820 0.006 0.000 1.873 106 A HA -0.112 4.208 4.320 0.000 0.000 0.215 106 A C 2.183 179.770 177.584 0.006 0.000 1.186 106 A CA 1.570 53.611 52.037 0.006 0.000 0.616 106 A CB -0.728 18.276 19.000 0.007 0.000 0.823 106 A HN 0.258 nan 8.150 nan 0.000 0.442 107 V N -0.243 119.675 119.914 0.007 0.000 2.667 107 V HA -0.052 4.068 4.120 0.000 0.000 0.252 107 V C 2.646 178.744 176.094 0.006 0.000 1.065 107 V CA 1.955 64.259 62.300 0.007 0.000 1.083 107 V CB -0.666 31.163 31.823 0.009 0.000 0.692 107 V HN 0.586 nan 8.190 nan 0.000 0.468 108 A N 0.334 123.157 122.820 0.005 0.000 1.908 108 A HA -0.056 4.264 4.320 0.000 0.000 0.218 108 A C 2.259 179.845 177.584 0.003 0.000 1.181 108 A CA 2.025 54.064 52.037 0.004 0.000 0.627 108 A CB -0.923 18.078 19.000 0.003 0.000 0.818 108 A HN 0.970 nan 8.150 nan 0.000 0.445 109 A N -1.965 120.857 122.820 0.003 0.000 2.259 109 A HA 0.426 4.746 4.320 0.000 0.000 0.208 109 A C 1.584 179.170 177.584 0.002 0.000 1.201 109 A CA 1.152 53.190 52.037 0.002 0.000 0.824 109 A CB -0.960 18.042 19.000 0.003 0.000 0.838 109 A HN 1.932 nan 8.150 nan 0.000 0.485 110 G N -1.741 107.061 108.800 0.003 0.000 2.148 110 G HA2 -0.192 3.768 3.960 0.000 0.000 0.203 110 G HA3 -0.192 3.768 3.960 0.000 0.000 0.203 110 G C 0.055 174.957 174.900 0.003 0.000 0.993 110 G CA 0.082 45.184 45.100 0.003 0.000 0.661 110 G HN 0.351 nan 8.290 nan 0.000 0.518 111 M N 0.826 120.428 119.600 0.004 0.000 2.249 111 M HA 0.312 4.792 4.480 0.000 0.000 0.351 111 M C 0.603 176.906 176.300 0.005 0.000 1.180 111 M CA -0.763 54.539 55.300 0.004 0.000 1.127 111 M CB 0.840 33.443 32.600 0.004 0.000 1.546 111 M HN 0.177 nan 8.290 nan 0.000 0.461 112 N N 3.953 122.655 118.700 0.004 0.000 2.440 112 N HA 0.078 4.818 4.740 0.000 0.000 0.265 112 N C -2.094 173.419 175.510 0.006 0.000 1.239 112 N CA -1.371 51.681 53.050 0.004 0.000 0.909 112 N CB 0.792 39.281 38.487 0.003 0.000 1.066 112 N HN 0.251 nan 8.380 nan 0.000 0.474 113 P HA -0.194 nan 4.420 nan 0.000 0.216 113 P C 1.251 178.555 177.300 0.007 0.000 1.154 113 P CA 1.417 64.523 63.100 0.009 0.000 0.865 113 P CB 0.121 31.828 31.700 0.011 0.000 0.789 114 M N -1.133 118.470 119.600 0.005 0.000 2.200 114 M HA -0.089 4.391 4.480 0.000 0.000 0.265 114 M C 1.479 177.781 176.300 0.003 0.000 1.066 114 M CA 1.689 56.992 55.300 0.004 0.000 1.127 114 M CB -0.881 31.721 32.600 0.003 0.000 1.379 114 M HN -0.184 nan 8.290 nan 0.000 0.420 115 D N -0.622 119.780 120.400 0.003 0.000 2.194 115 D HA -0.039 4.601 4.640 0.000 0.000 0.204 115 D C 2.032 178.335 176.300 0.004 0.000 0.964 115 D CA 0.957 54.959 54.000 0.003 0.000 0.846 115 D CB 0.019 40.821 40.800 0.003 0.000 0.962 115 D HN 0.334 nan 8.370 nan 0.000 0.490 116 L N 1.046 122.272 121.223 0.005 0.000 2.012 116 L HA -0.207 4.134 4.340 0.000 0.000 0.210 116 L C 2.608 179.481 176.870 0.006 0.000 1.073 116 L CA 1.313 56.156 54.840 0.006 0.000 0.748 116 L CB -0.358 41.705 42.059 0.007 0.000 0.891 116 L HN -0.048 nan 8.230 nan 0.000 0.431 117 K N 0.335 120.738 120.400 0.005 0.000 2.026 117 K HA -0.241 4.079 4.320 0.000 0.000 0.208 117 K C 2.350 178.952 176.600 0.003 0.000 1.048 117 K CA 1.449 57.739 56.287 0.004 0.000 0.929 117 K CB -0.123 32.378 32.500 0.002 0.000 0.713 117 K HN 0.066 nan 8.250 nan 0.000 0.439 118 R N -0.375 120.127 120.500 0.003 0.000 2.170 118 R HA -0.125 4.215 4.340 0.000 0.000 0.242 118 R C 2.072 178.374 176.300 0.003 0.000 1.145 118 R CA 1.733 57.834 56.100 0.002 0.000 0.984 118 R CB -0.325 29.976 30.300 0.002 0.000 0.869 118 R HN 0.429 nan 8.270 nan 0.000 0.455 119 G N 0.113 108.916 108.800 0.004 0.000 2.459 119 G HA2 -0.095 3.865 3.960 0.000 0.000 0.213 119 G HA3 -0.095 3.865 3.960 0.000 0.000 0.213 119 G C 1.397 176.301 174.900 0.007 0.000 1.155 119 G CA 0.140 45.244 45.100 0.005 0.000 0.811 119 G HN 0.195 nan 8.290 nan 0.000 0.534 120 I N 1.301 121.875 120.570 0.007 0.000 2.142 120 I HA -0.153 4.017 4.170 0.000 0.000 0.240 120 I C 2.342 178.464 176.117 0.007 0.000 1.078 120 I CA 1.356 62.661 61.300 0.008 0.000 1.343 120 I CB -0.185 37.820 38.000 0.008 0.000 1.046 120 I HN 0.020 nan 8.210 nan 0.000 0.405 121 D N 0.848 121.250 120.400 0.005 0.000 2.104 121 D HA -0.236 4.404 4.640 0.000 0.000 0.194 121 D C 2.083 178.386 176.300 0.005 0.000 0.994 121 D CA 1.280 55.282 54.000 0.003 0.000 0.830 121 D CB -0.303 40.497 40.800 0.000 0.000 0.959 121 D HN 0.206 nan 8.370 nan 0.000 0.452 122 K N 0.097 120.500 120.400 0.005 0.000 2.152 122 K HA -0.113 4.207 4.320 0.000 0.000 0.206 122 K C 1.827 178.432 176.600 0.008 0.000 1.048 122 K CA 1.245 57.535 56.287 0.006 0.000 0.933 122 K CB 0.015 32.518 32.500 0.005 0.000 0.721 122 K HN 0.102 nan 8.250 nan 0.000 0.447 123 A N 0.069 122.894 122.820 0.009 0.000 1.903 123 A HA -0.017 4.303 4.320 0.000 0.000 0.213 123 A C 2.139 179.731 177.584 0.013 0.000 1.185 123 A CA 0.767 52.810 52.037 0.011 0.000 0.628 123 A CB -0.321 18.686 19.000 0.012 0.000 0.830 123 A HN 0.119 nan 8.150 nan 0.000 0.446 124 V N 0.177 120.099 119.914 0.013 0.000 2.343 124 V HA -0.230 3.890 4.120 0.000 0.000 0.247 124 V C 2.766 178.870 176.094 0.016 0.000 1.051 124 V CA 2.531 64.841 62.300 0.016 0.000 1.036 124 V CB -1.167 30.665 31.823 0.015 0.000 0.654 124 V HN 0.607 nan 8.190 nan 0.000 0.451 125 T N 0.479 115.040 114.554 0.013 0.000 2.684 125 T HA -0.216 4.134 4.350 0.000 0.000 0.267 125 T C 2.058 176.766 174.700 0.014 0.000 1.036 125 T CA 1.784 63.892 62.100 0.012 0.000 1.148 125 T CB -0.495 68.378 68.868 0.009 0.000 0.863 125 T HN 0.581 nan 8.240 nan 0.000 0.436 126 A N 1.424 124.252 122.820 0.013 0.000 1.902 126 A HA 0.138 4.458 4.320 0.000 0.000 0.217 126 A C 2.656 180.250 177.584 0.016 0.000 1.181 126 A CA 1.903 53.948 52.037 0.014 0.000 0.623 126 A CB -1.133 17.875 19.000 0.012 0.000 0.818 126 A HN 0.519 nan 8.150 nan 0.000 0.443 127 A N -0.629 122.202 122.820 0.018 0.000 1.902 127 A HA -0.023 4.297 4.320 0.000 0.000 0.217 127 A C 2.144 179.742 177.584 0.024 0.000 1.181 127 A CA 1.774 53.824 52.037 0.021 0.000 0.623 127 A CB -0.907 18.106 19.000 0.023 0.000 0.818 127 A HN 0.435 nan 8.150 nan 0.000 0.443 128 V N -0.165 119.764 119.914 0.025 0.000 2.759 128 V HA -0.170 3.950 4.120 0.000 0.000 0.256 128 V C 2.446 178.554 176.094 0.024 0.000 1.080 128 V CA 2.229 64.545 62.300 0.027 0.000 1.101 128 V CB -0.497 31.343 31.823 0.030 0.000 0.698 128 V HN 0.658 nan 8.190 nan 0.000 0.477 129 E N 0.558 120.770 120.200 0.020 0.000 2.042 129 E HA -0.108 4.242 4.350 0.000 0.000 0.189 129 E C 2.216 178.827 176.600 0.018 0.000 0.974 129 E CA 1.071 57.482 56.400 0.018 0.000 0.806 129 E CB -0.141 29.568 29.700 0.015 0.000 0.769 129 E HN 0.605 nan 8.360 nan 0.000 0.451 130 E N 0.020 120.232 120.200 0.018 0.000 2.204 130 E HA -0.153 4.197 4.350 0.000 0.000 0.194 130 E C 1.925 178.538 176.600 0.021 0.000 0.989 130 E CA 0.505 56.917 56.400 0.019 0.000 0.824 130 E CB -0.067 29.644 29.700 0.018 0.000 0.756 130 E HN 0.165 nan 8.360 nan 0.000 0.477 131 L N 1.679 122.916 121.223 0.023 0.000 2.191 131 L HA -0.159 4.182 4.340 0.000 0.000 0.212 131 L C 1.849 178.733 176.870 0.023 0.000 1.103 131 L CA 1.686 56.540 54.840 0.024 0.000 0.769 131 L CB -0.093 41.982 42.059 0.026 0.000 0.908 131 L HN -0.099 nan 8.230 nan 0.000 0.438 132 K N -0.700 119.713 120.400 0.021 0.000 2.025 132 K HA -0.061 4.259 4.320 0.000 0.000 0.207 132 K C 2.071 178.683 176.600 0.019 0.000 1.049 132 K CA 1.258 57.557 56.287 0.020 0.000 0.933 132 K CB -0.360 32.151 32.500 0.019 0.000 0.714 132 K HN 0.435 nan 8.250 nan 0.000 0.438 133 A N 1.185 124.016 122.820 0.018 0.000 2.019 133 A HA -0.134 4.187 4.320 0.000 0.000 0.219 133 A C 1.962 179.558 177.584 0.020 0.000 1.164 133 A CA 1.055 53.103 52.037 0.018 0.000 0.644 133 A CB -0.333 18.677 19.000 0.017 0.000 0.805 133 A HN 0.214 nan 8.150 nan 0.000 0.449 134 L N -0.489 120.747 121.223 0.022 0.000 2.478 134 L HA 0.162 4.502 4.340 0.000 0.000 0.223 134 L C 1.216 178.101 176.870 0.024 0.000 1.140 134 L CA 0.636 55.491 54.840 0.025 0.000 0.842 134 L CB -0.511 41.565 42.059 0.028 0.000 0.953 134 L HN 0.220 nan 8.230 nan 0.000 0.452 135 S N -0.723 114.989 115.700 0.021 0.000 2.531 135 S HA 0.255 4.726 4.470 0.000 0.000 0.279 135 S C -0.146 174.465 174.600 0.018 0.000 1.305 135 S CA -0.576 57.636 58.200 0.019 0.000 1.058 135 S CB 0.365 63.576 63.200 0.017 0.000 0.899 135 S HN 0.030 nan 8.310 nan 0.000 0.493 136 V N 8.586 128.511 119.914 0.017 0.000 2.509 136 V HA 0.327 4.447 4.120 0.000 0.000 0.284 136 V C -1.918 174.183 176.094 0.013 0.000 1.047 136 V CA -1.819 60.490 62.300 0.015 0.000 0.952 136 V CB 1.019 32.852 31.823 0.016 0.000 0.988 136 V HN 0.739 nan 8.190 nan 0.000 0.469 137 P HA 0.140 nan 4.420 nan 0.000 0.270 137 P C -0.721 176.584 177.300 0.008 0.000 1.227 137 P CA -0.159 62.947 63.100 0.010 0.000 0.788 137 P CB 0.441 32.146 31.700 0.010 0.000 0.926 138 C N 1.154 120.458 119.300 0.007 0.000 2.608 138 C HA 0.664 5.124 4.460 0.000 0.000 0.325 138 C C 0.713 175.706 174.990 0.005 0.000 1.147 138 C CA 0.571 59.592 59.018 0.005 0.000 1.359 138 C CB 0.340 28.082 27.740 0.004 0.000 1.912 138 C HN 0.683 nan 8.230 nan 0.000 0.466 139 S N 2.103 117.805 115.700 0.003 0.000 1.687 139 S HA 0.022 4.492 4.470 0.000 0.000 0.152 139 S C -0.302 174.298 174.600 0.001 0.000 0.619 139 S CA 0.565 58.767 58.200 0.003 0.000 1.520 139 S CB -0.956 62.248 63.200 0.005 0.000 0.855 139 S HN 1.011 nan 8.310 nan 0.000 0.296 140 D N 1.673 122.074 120.400 0.001 0.000 2.360 140 D HA 0.286 4.927 4.640 0.000 0.000 0.242 140 D C 0.921 177.219 176.300 -0.003 0.000 1.184 140 D CA 0.480 54.479 54.000 -0.001 0.000 0.930 140 D CB 1.277 42.077 40.800 0.000 0.000 1.161 140 D HN 0.183 nan 8.370 nan 0.000 0.447 141 S N 0.798 116.495 115.700 -0.004 0.000 2.400 141 S HA -0.181 4.289 4.470 0.000 0.000 0.232 141 S C 1.688 176.284 174.600 -0.007 0.000 1.025 141 S CA 1.151 59.347 58.200 -0.007 0.000 0.993 141 S CB -0.192 63.004 63.200 -0.007 0.000 0.808 141 S HN 0.617 nan 8.310 nan 0.000 0.478 142 K N 1.591 121.988 120.400 -0.006 0.000 2.001 142 K HA -0.034 4.286 4.320 0.000 0.000 0.208 142 K C 2.313 178.909 176.600 -0.006 0.000 1.048 142 K CA 1.161 57.444 56.287 -0.006 0.000 0.932 142 K CB -0.405 32.093 32.500 -0.004 0.000 0.715 142 K HN 0.278 nan 8.250 nan 0.000 0.437 143 A N 1.776 124.594 122.820 -0.005 0.000 1.908 143 A HA -0.164 4.156 4.320 0.000 0.000 0.218 143 A C 2.073 179.652 177.584 -0.007 0.000 1.181 143 A CA 1.436 53.471 52.037 -0.004 0.000 0.627 143 A CB -0.586 18.413 19.000 -0.001 0.000 0.818 143 A HN 0.328 nan 8.150 nan 0.000 0.445 144 I N 0.003 120.568 120.570 -0.008 0.000 2.091 144 I HA -0.308 3.863 4.170 0.000 0.000 0.239 144 I C 2.977 179.085 176.117 -0.015 0.000 1.061 144 I CA 1.769 63.062 61.300 -0.011 0.000 1.317 144 I CB -1.610 36.383 38.000 -0.012 0.000 1.031 144 I HN 0.385 nan 8.210 nan 0.000 0.401 145 A N -0.200 122.612 122.820 -0.014 0.000 1.933 145 A HA -0.266 4.054 4.320 0.000 0.000 0.218 145 A C 2.341 179.915 177.584 -0.016 0.000 1.175 145 A CA 1.896 53.923 52.037 -0.016 0.000 0.628 145 A CB -0.673 18.319 19.000 -0.014 0.000 0.814 145 A HN 0.575 nan 8.150 nan 0.000 0.444 146 Q N -0.777 119.015 119.800 -0.014 0.000 1.994 146 Q HA -0.093 4.248 4.340 0.000 0.000 0.198 146 Q C 2.008 177.999 176.000 -0.016 0.000 0.976 146 Q CA 1.802 57.596 55.803 -0.014 0.000 0.828 146 Q CB -0.295 28.437 28.738 -0.011 0.000 0.894 146 Q HN 0.362 nan 8.270 nan 0.000 0.432 147 V N 0.383 120.289 119.914 -0.014 0.000 2.490 147 V HA -0.132 3.989 4.120 0.000 0.000 0.250 147 V C 1.906 177.990 176.094 -0.017 0.000 1.061 147 V CA 2.128 64.420 62.300 -0.014 0.000 1.064 147 V CB -0.628 31.189 31.823 -0.010 0.000 0.670 147 V HN 0.621 nan 8.190 nan 0.000 0.461 148 G N -0.360 108.428 108.800 -0.020 0.000 2.414 148 G HA2 -0.270 3.690 3.960 0.000 0.000 0.215 148 G HA3 -0.270 3.690 3.960 0.000 0.000 0.215 148 G C 1.709 176.594 174.900 -0.025 0.000 1.188 148 G CA 1.540 46.625 45.100 -0.025 0.000 0.783 148 G HN 0.588 nan 8.290 nan 0.000 0.537 149 T N -0.034 114.506 114.554 -0.023 0.000 2.788 149 T HA 0.013 4.363 4.350 0.000 0.000 0.268 149 T C 2.388 177.074 174.700 -0.023 0.000 1.044 149 T CA 1.078 63.165 62.100 -0.023 0.000 1.139 149 T CB -0.220 68.635 68.868 -0.021 0.000 0.867 149 T HN 0.245 nan 8.240 nan 0.000 0.454 150 I N 1.226 121.783 120.570 -0.022 0.000 2.163 150 I HA -0.114 4.056 4.170 0.000 0.000 0.240 150 I C 2.982 179.086 176.117 -0.021 0.000 1.081 150 I CA 1.309 62.596 61.300 -0.023 0.000 1.353 150 I CB -0.423 37.563 38.000 -0.022 0.000 1.054 150 I HN 0.267 nan 8.210 nan 0.000 0.407 151 S N 0.249 115.938 115.700 -0.019 0.000 2.481 151 S HA 0.034 4.505 4.470 0.000 0.000 0.231 151 S C 1.874 176.463 174.600 -0.017 0.000 0.996 151 S CA 0.891 59.082 58.200 -0.016 0.000 0.942 151 S CB -0.155 63.037 63.200 -0.013 0.000 0.768 151 S HN 0.442 nan 8.310 nan 0.000 0.520 152 A N 1.378 124.185 122.820 -0.021 0.000 2.235 152 A HA 0.218 4.538 4.320 0.000 0.000 0.208 152 A C 0.893 178.465 177.584 -0.020 0.000 1.172 152 A CA 0.375 52.399 52.037 -0.022 0.000 0.786 152 A CB -0.670 18.316 19.000 -0.025 0.000 0.804 152 A HN 0.731 nan 8.150 nan 0.000 0.479 153 N N -1.213 117.475 118.700 -0.020 0.000 2.780 153 N HA -0.231 4.509 4.740 0.000 0.000 0.248 153 N C 0.094 175.591 175.510 -0.022 0.000 1.102 153 N CA 0.703 53.741 53.050 -0.020 0.000 0.697 153 N CB -1.073 37.404 38.487 -0.017 0.000 1.028 153 N HN 0.446 nan 8.380 nan 0.000 0.554 154 S N -1.484 114.202 115.700 -0.024 0.000 2.417 154 S HA -0.153 4.318 4.470 0.000 0.000 0.260 154 S C -0.421 174.166 174.600 -0.022 0.000 1.333 154 S CA 0.670 58.855 58.200 -0.025 0.000 1.219 154 S CB -0.834 62.350 63.200 -0.027 0.000 1.510 154 S HN 0.639 nan 8.310 nan 0.000 0.656 155 D N 2.082 122.469 120.400 -0.021 0.000 2.359 155 D HA 0.167 4.808 4.640 0.000 0.000 0.250 155 D C 0.879 177.167 176.300 -0.020 0.000 1.264 155 D CA 0.170 54.158 54.000 -0.020 0.000 0.911 155 D CB 0.447 41.235 40.800 -0.019 0.000 1.056 155 D HN 0.499 nan 8.370 nan 0.000 0.499 156 E N 1.338 121.527 120.200 -0.019 0.000 2.516 156 E HA -0.098 4.253 4.350 0.000 0.000 0.199 156 E C 1.659 178.249 176.600 -0.018 0.000 1.069 156 E CA 0.589 56.978 56.400 -0.018 0.000 0.876 156 E CB 0.367 30.057 29.700 -0.017 0.000 0.843 156 E HN 0.586 nan 8.360 nan 0.000 0.530 157 T N -2.955 111.588 114.554 -0.018 0.000 2.953 157 T HA -0.002 4.348 4.350 0.000 0.000 0.247 157 T C 2.073 176.760 174.700 -0.021 0.000 1.029 157 T CA 0.242 62.332 62.100 -0.018 0.000 1.144 157 T CB -0.381 68.477 68.868 -0.016 0.000 0.870 157 T HN -0.052 nan 8.240 nan 0.000 0.446 158 V N 2.221 122.122 119.914 -0.023 0.000 2.261 158 V HA 0.014 4.135 4.120 0.000 0.000 0.246 158 V C 3.110 179.186 176.094 -0.030 0.000 1.047 158 V CA 2.167 64.451 62.300 -0.027 0.000 1.015 158 V CB -1.427 30.379 31.823 -0.028 0.000 0.642 158 V HN 0.695 nan 8.190 nan 0.000 0.446 159 G N -0.735 108.048 108.800 -0.027 0.000 2.422 159 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 159 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 159 G C 1.618 176.503 174.900 -0.025 0.000 1.140 159 G CA 0.945 46.029 45.100 -0.027 0.000 0.775 159 G HN 0.503 nan 8.290 nan 0.000 0.545 160 K N -0.289 120.098 120.400 -0.022 0.000 2.002 160 K HA -0.065 4.255 4.320 0.000 0.000 0.209 160 K C 2.405 178.992 176.600 -0.022 0.000 1.048 160 K CA 1.011 57.286 56.287 -0.020 0.000 0.930 160 K CB -0.279 32.210 32.500 -0.018 0.000 0.714 160 K HN 0.159 nan 8.250 nan 0.000 0.438 161 L N 1.624 122.833 121.223 -0.024 0.000 2.012 161 L HA -0.183 4.157 4.340 0.000 0.000 0.210 161 L C 2.277 179.129 176.870 -0.030 0.000 1.073 161 L CA 1.556 56.381 54.840 -0.025 0.000 0.748 161 L CB -0.595 41.448 42.059 -0.027 0.000 0.891 161 L HN 0.287 nan 8.230 nan 0.000 0.431 162 I N -1.040 119.509 120.570 -0.036 0.000 2.127 162 I HA -0.336 3.834 4.170 0.000 0.000 0.241 162 I C 2.568 178.665 176.117 -0.032 0.000 1.075 162 I CA 1.369 62.644 61.300 -0.041 0.000 1.334 162 I CB -0.568 37.401 38.000 -0.051 0.000 1.040 162 I HN 0.236 nan 8.210 nan 0.000 0.405 163 A N 0.274 123.078 122.820 -0.027 0.000 1.902 163 A HA -0.222 4.098 4.320 0.000 0.000 0.217 163 A C 2.214 179.787 177.584 -0.018 0.000 1.181 163 A CA 1.702 53.726 52.037 -0.021 0.000 0.623 163 A CB -0.608 18.381 19.000 -0.018 0.000 0.818 163 A HN 0.457 nan 8.150 nan 0.000 0.443 164 E N -0.372 119.817 120.200 -0.018 0.000 2.150 164 E HA -0.065 4.285 4.350 0.000 0.000 0.193 164 E C 2.251 178.841 176.600 -0.016 0.000 0.985 164 E CA 0.764 57.155 56.400 -0.016 0.000 0.814 164 E CB -0.221 29.470 29.700 -0.016 0.000 0.752 164 E HN 0.640 nan 8.360 nan 0.000 0.466 165 A N 1.077 123.885 122.820 -0.020 0.000 1.854 165 A HA -0.143 4.177 4.320 0.000 0.000 0.214 165 A C 2.157 179.730 177.584 -0.018 0.000 1.192 165 A CA 1.061 53.086 52.037 -0.020 0.000 0.611 165 A CB -0.373 18.612 19.000 -0.025 0.000 0.832 165 A HN 0.102 nan 8.150 nan 0.000 0.442 166 M N -0.810 118.778 119.600 -0.020 0.000 2.108 166 M HA -0.191 4.290 4.480 0.000 0.000 0.261 166 M C 1.942 178.235 176.300 -0.013 0.000 1.066 166 M CA 2.155 57.445 55.300 -0.017 0.000 1.107 166 M CB -0.586 32.003 32.600 -0.018 0.000 1.356 166 M HN 0.536 nan 8.290 nan 0.000 0.406 167 D N 0.316 120.709 120.400 -0.012 0.000 2.144 167 D HA -0.138 4.502 4.640 0.000 0.000 0.199 167 D C 1.848 178.143 176.300 -0.009 0.000 0.984 167 D CA 1.350 55.344 54.000 -0.010 0.000 0.834 167 D CB 0.210 41.004 40.800 -0.010 0.000 0.955 167 D HN 0.233 nan 8.370 nan 0.000 0.465 168 K N -0.580 119.814 120.400 -0.010 0.000 2.076 168 K HA 0.010 4.330 4.320 0.000 0.000 0.204 168 K C 1.886 178.481 176.600 -0.008 0.000 1.051 168 K CA 0.612 56.893 56.287 -0.009 0.000 0.949 168 K CB 0.037 32.532 32.500 -0.009 0.000 0.726 168 K HN 0.040 nan 8.250 nan 0.000 0.443 169 V N 0.225 120.134 119.914 -0.009 0.000 3.354 169 V HA 0.146 4.267 4.120 0.000 0.000 0.258 169 V C 0.330 176.419 176.094 -0.007 0.000 1.159 169 V CA 1.015 63.310 62.300 -0.008 0.000 1.125 169 V CB -0.034 31.784 31.823 -0.009 0.000 0.774 169 V HN 0.599 nan 8.190 nan 0.000 0.464 170 G N 0.118 108.914 108.800 -0.008 0.000 2.699 170 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 170 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 170 G C 0.103 174.999 174.900 -0.006 0.000 1.301 170 G CA 0.113 45.209 45.100 -0.007 0.000 0.816 170 G HN 0.293 nan 8.290 nan 0.000 0.595 171 K N 0.276 120.673 120.400 -0.005 0.000 2.031 171 K HA -0.017 4.303 4.320 0.000 0.000 0.205 171 K C 1.987 178.587 176.600 0.000 0.000 1.049 171 K CA 1.846 58.131 56.287 -0.002 0.000 0.939 171 K CB -0.023 32.477 32.500 -0.000 0.000 0.717 171 K HN 0.491 nan 8.250 nan 0.000 0.438 172 E N 0.572 120.772 120.200 0.000 0.000 2.511 172 E HA 0.018 4.368 4.350 0.000 0.000 0.196 172 E C 0.639 177.241 176.600 0.003 0.000 1.066 172 E CA 0.125 56.527 56.400 0.003 0.000 0.871 172 E CB 0.118 29.817 29.700 -0.001 0.000 0.863 172 E HN 0.318 nan 8.360 nan 0.000 0.520 173 G N -0.338 108.462 108.800 -0.001 0.000 2.563 173 G HA2 0.349 4.309 3.960 0.000 0.000 0.283 173 G HA3 0.349 4.309 3.960 0.000 0.000 0.283 173 G C -0.555 174.344 174.900 -0.002 0.000 1.309 173 G CA -0.584 44.516 45.100 -0.001 0.000 1.022 173 G HN 0.034 nan 8.290 nan 0.000 0.501 174 V N 0.314 120.226 119.914 -0.004 0.000 2.384 174 V HA 0.446 4.566 4.120 0.000 0.000 0.287 174 V C -0.623 175.462 176.094 -0.015 0.000 1.020 174 V CA -0.366 61.929 62.300 -0.008 0.000 0.850 174 V CB 1.046 32.867 31.823 -0.003 0.000 0.987 174 V HN 0.462 nan 8.190 nan 0.000 0.436 175 I N 4.653 125.209 120.570 -0.023 0.000 2.465 175 I HA 0.741 4.911 4.170 0.000 0.000 0.291 175 I C 0.289 176.384 176.117 -0.037 0.000 1.014 175 I CA 0.068 61.349 61.300 -0.031 0.000 1.093 175 I CB 2.390 40.366 38.000 -0.040 0.000 1.267 175 I HN 0.818 nan 8.210 nan 0.000 0.431 176 T N 2.327 116.860 114.554 -0.035 0.000 2.838 176 T HA 0.899 5.250 4.350 0.000 0.000 0.292 176 T C -1.034 173.646 174.700 -0.033 0.000 1.113 176 T CA -0.793 61.287 62.100 -0.033 0.000 1.008 176 T CB 1.727 70.581 68.868 -0.025 0.000 1.259 176 T HN 0.212 nan 8.240 nan 0.000 0.520 177 V N 0.808 120.705 119.914 -0.028 0.000 2.709 177 V HA 0.580 4.700 4.120 0.000 0.000 0.308 177 V C -0.693 175.390 176.094 -0.019 0.000 1.062 177 V CA -0.827 61.457 62.300 -0.027 0.000 0.901 177 V CB 1.765 33.570 31.823 -0.030 0.000 1.003 177 V HN 0.997 nan 8.190 nan 0.000 0.425 178 E N 1.734 121.924 120.200 -0.018 0.000 2.187 178 E HA 0.373 4.723 4.350 0.000 0.000 0.268 178 E C -1.327 175.265 176.600 -0.013 0.000 0.896 178 E CA -0.821 55.570 56.400 -0.015 0.000 0.766 178 E CB 1.951 31.642 29.700 -0.015 0.000 1.142 178 E HN 0.758 nan 8.360 nan 0.000 0.408 179 D N 2.063 122.456 120.400 -0.011 0.000 2.451 179 D HA 0.110 4.751 4.640 0.000 0.000 0.254 179 D C 0.478 176.772 176.300 -0.011 0.000 1.204 179 D CA 0.452 54.446 54.000 -0.010 0.000 0.896 179 D CB 0.628 41.422 40.800 -0.009 0.000 1.136 179 D HN 0.421 nan 8.370 nan 0.000 0.499 180 G N 0.898 109.692 108.800 -0.011 0.000 2.588 180 G HA2 0.271 4.231 3.960 0.000 0.000 0.281 180 G HA3 0.271 4.231 3.960 0.000 0.000 0.281 180 G C 1.091 175.985 174.900 -0.010 0.000 1.236 180 G CA -0.530 44.563 45.100 -0.011 0.000 0.969 180 G HN 0.498 nan 8.290 nan 0.000 0.504 181 T N -2.880 111.667 114.554 -0.010 0.000 3.100 181 T HA 0.463 4.813 4.350 0.000 0.000 0.253 181 T C 1.219 175.914 174.700 -0.009 0.000 1.118 181 T CA 0.907 63.002 62.100 -0.010 0.000 1.058 181 T CB 0.011 68.873 68.868 -0.010 0.000 0.953 181 T HN 1.751 nan 8.240 nan 0.000 0.515 182 G N 1.113 109.908 108.800 -0.009 0.000 2.384 182 G HA2 0.120 4.080 3.960 0.000 0.000 0.150 182 G HA3 0.120 4.080 3.960 0.000 0.000 0.150 182 G C -0.176 174.719 174.900 -0.008 0.000 1.269 182 G CA -0.285 44.810 45.100 -0.008 0.000 1.094 182 G HN 0.192 nan 8.290 nan 0.000 0.467 183 L N 0.986 122.205 121.223 -0.008 0.000 2.465 183 L HA 0.349 4.689 4.340 0.000 0.000 0.224 183 L C 0.841 177.706 176.870 -0.009 0.000 1.145 183 L CA 1.395 56.230 54.840 -0.008 0.000 0.834 183 L CB -0.374 41.680 42.059 -0.007 0.000 0.944 183 L HN 0.423 nan 8.230 nan 0.000 0.451 184 Q N 0.586 120.380 119.800 -0.009 0.000 2.256 184 Q HA 0.236 4.576 4.340 0.000 0.000 0.257 184 Q C -0.850 175.143 176.000 -0.011 0.000 0.936 184 Q CA -0.400 55.397 55.803 -0.010 0.000 0.903 184 Q CB 1.429 30.162 28.738 -0.009 0.000 1.263 184 Q HN 0.201 nan 8.270 nan 0.000 0.440 185 D N 2.174 122.567 120.400 -0.012 0.000 2.345 185 D HA 0.235 4.875 4.640 0.000 0.000 0.247 185 D C -0.250 176.042 176.300 -0.013 0.000 1.108 185 D CA 0.297 54.289 54.000 -0.013 0.000 0.894 185 D CB 1.171 41.962 40.800 -0.014 0.000 1.203 185 D HN 0.367 nan 8.370 nan 0.000 0.430 186 E N 0.689 120.881 120.200 -0.013 0.000 2.413 186 E HA 0.587 4.937 4.350 0.000 0.000 0.277 186 E C -0.959 175.633 176.600 -0.014 0.000 0.958 186 E CA -0.805 55.588 56.400 -0.013 0.000 0.779 186 E CB 2.733 32.426 29.700 -0.011 0.000 1.278 186 E HN 0.159 nan 8.360 nan 0.000 0.456 187 L N 2.067 123.282 121.223 -0.013 0.000 2.596 187 L HA 0.399 4.739 4.340 0.000 0.000 0.265 187 L C -1.883 174.979 176.870 -0.012 0.000 0.962 187 L CA -0.435 54.397 54.840 -0.014 0.000 0.891 187 L CB 1.163 43.212 42.059 -0.015 0.000 1.248 187 L HN 0.556 nan 8.230 nan 0.000 0.410 188 D N 2.773 123.166 120.400 -0.012 0.000 2.497 188 D HA 0.650 5.290 4.640 0.000 0.000 0.243 188 D C -0.692 175.602 176.300 -0.010 0.000 1.039 188 D CA -0.195 53.799 54.000 -0.010 0.000 1.052 188 D CB 2.731 43.525 40.800 -0.010 0.000 1.344 188 D HN 0.301 nan 8.370 nan 0.000 0.553 189 V N -2.292 117.617 119.914 -0.008 0.000 2.919 189 V HA 0.919 5.039 4.120 0.000 0.000 0.316 189 V C -0.281 175.809 176.094 -0.006 0.000 1.077 189 V CA -0.636 61.660 62.300 -0.007 0.000 0.977 189 V CB 1.820 33.639 31.823 -0.006 0.000 1.039 189 V HN 0.391 nan 8.190 nan 0.000 0.441 190 V N 0.211 120.123 119.914 -0.004 0.000 3.282 190 V HA 0.493 4.613 4.120 0.000 0.000 0.295 190 V C -1.100 174.994 176.094 0.000 0.000 1.451 190 V CA -0.532 61.766 62.300 -0.003 0.000 1.062 190 V CB 2.382 34.202 31.823 -0.005 0.000 1.128 190 V HN 1.138 nan 8.190 nan 0.000 0.456 191 E N 1.570 121.771 120.200 0.003 0.000 2.404 191 E HA 0.642 4.992 4.350 0.000 0.000 0.261 191 E C 0.329 176.935 176.600 0.010 0.000 1.074 191 E CA 0.835 57.239 56.400 0.008 0.000 0.917 191 E CB 1.041 30.746 29.700 0.009 0.000 0.965 191 E HN 1.403 nan 8.360 nan 0.000 0.433 192 G N -0.058 108.753 108.800 0.019 0.000 2.352 192 G HA2 0.318 4.278 3.960 0.000 0.000 0.283 192 G HA3 0.318 4.278 3.960 0.000 0.000 0.283 192 G C -1.385 173.538 174.900 0.038 0.000 1.308 192 G CA -0.423 44.692 45.100 0.026 0.000 0.892 192 G HN 0.470 nan 8.290 nan 0.000 0.504 193 M N 0.382 120.010 119.600 0.047 0.000 2.366 193 M HA 0.426 4.906 4.480 0.000 0.000 0.287 193 M C -1.460 174.871 176.300 0.052 0.000 1.083 193 M CA -0.544 54.802 55.300 0.076 0.000 0.934 193 M CB 1.969 34.651 32.600 0.136 0.000 1.852 193 M HN 0.841 nan 8.290 nan 0.000 0.502 194 Q N 4.086 123.903 119.800 0.028 0.000 2.235 194 Q HA 0.710 5.050 4.340 0.000 0.000 0.250 194 Q C -1.856 174.194 176.000 0.084 0.000 0.909 194 Q CA -0.457 55.320 55.803 -0.043 0.000 0.910 194 Q CB 1.194 29.911 28.738 -0.035 0.000 1.223 194 Q HN 0.555 nan 8.270 nan 0.000 0.432 195 F N 0.007 119.968 119.950 0.018 0.000 2.601 195 F HA 0.426 4.953 4.527 0.000 0.000 0.309 195 F C -1.024 174.788 175.800 0.020 0.000 1.089 195 F CA -1.357 56.655 58.000 0.020 0.000 0.940 195 F CB 1.069 40.082 39.000 0.023 0.000 1.273 195 F HN 0.304 nan 8.300 nan 0.000 0.450 196 D N 2.695 123.227 120.400 0.221 0.000 2.713 196 D HA 0.306 4.946 4.640 0.000 0.000 0.229 196 D C -0.497 175.895 176.300 0.153 0.000 1.136 196 D CA 0.180 54.247 54.000 0.112 0.000 1.010 196 D CB -0.047 40.805 40.800 0.087 0.000 1.084 196 D HN 0.435 nan 8.370 nan 0.000 0.495 197 R N -0.328 120.274 120.500 0.169 0.000 2.621 197 R HA 0.677 5.018 4.340 0.000 0.000 0.284 197 R C 0.526 176.839 176.300 0.022 0.000 0.998 197 R CA -0.745 55.444 56.100 0.149 0.000 0.895 197 R CB 2.077 32.566 30.300 0.315 0.000 1.195 197 R HN 0.186 nan 8.270 nan 0.000 0.450 198 G N 0.659 109.424 108.800 -0.059 0.000 2.583 198 G HA2 0.324 4.285 3.960 0.000 0.000 0.280 198 G HA3 0.324 4.285 3.960 0.000 0.000 0.280 198 G C -0.840 174.024 174.900 -0.060 0.000 1.376 198 G CA -0.574 44.416 45.100 -0.183 0.000 1.043 198 G HN 0.548 nan 8.290 nan 0.000 0.538 199 Y N -1.063 119.304 120.300 0.112 0.000 2.652 199 Y HA 0.329 4.879 4.550 0.000 0.000 0.344 199 Y C 1.140 177.132 175.900 0.154 0.000 1.254 199 Y CA -0.923 57.299 58.100 0.203 0.000 1.480 199 Y CB 0.116 38.721 38.460 0.242 0.000 1.345 199 Y HN 0.136 nan 8.280 nan 0.000 0.617 200 L N 1.411 122.900 121.223 0.444 0.000 2.049 200 L HA 0.004 4.344 4.340 0.000 0.000 0.203 200 L C 1.392 178.353 176.870 0.152 0.000 1.074 200 L CA 1.672 56.668 54.840 0.259 0.000 0.749 200 L CB -0.704 41.508 42.059 0.255 0.000 0.907 200 L HN 0.762 nan 8.230 nan 0.000 0.439 201 S N -0.769 114.798 115.700 -0.223 0.000 2.442 201 S HA 0.306 4.777 4.470 0.000 0.000 0.297 201 S C -1.799 172.449 174.600 -0.587 0.000 1.131 201 S CA -1.507 56.386 58.200 -0.512 0.000 1.092 201 S CB 1.137 63.678 63.200 -1.099 0.000 0.998 201 S HN -0.101 nan 8.310 nan 0.000 0.478 202 P HA -0.076 nan 4.420 nan 0.000 0.219 202 P C 0.350 177.248 177.300 -0.670 0.000 1.146 202 P CA 1.135 63.755 63.100 -0.800 0.000 0.808 202 P CB -0.067 31.363 31.700 -0.450 0.000 0.779 203 Y N -2.352 117.690 120.300 -0.431 0.000 2.569 203 Y HA -0.104 4.446 4.550 0.000 0.000 0.293 203 Y C 1.773 177.617 175.900 -0.094 0.000 1.144 203 Y CA 0.626 58.579 58.100 -0.245 0.000 1.321 203 Y CB -1.067 37.276 38.460 -0.194 0.000 0.982 203 Y HN -0.071 nan 8.280 nan 0.000 0.558 204 F N -0.270 119.625 119.950 -0.091 0.000 2.502 204 F HA 0.006 4.533 4.527 0.000 0.000 0.298 204 F C 1.038 176.760 175.800 -0.131 0.000 1.111 204 F CA -0.594 57.357 58.000 -0.081 0.000 1.445 204 F CB -1.177 37.798 39.000 -0.041 0.000 1.081 204 F HN -0.128 nan 8.300 nan 0.000 0.558 205 I N 2.770 123.279 120.570 -0.103 0.000 2.752 205 I HA -0.190 3.981 4.170 0.000 0.000 0.286 205 I C 1.280 177.385 176.117 -0.020 0.000 1.180 205 I CA 0.273 61.513 61.300 -0.101 0.000 1.404 205 I CB 0.196 38.069 38.000 -0.211 0.000 1.389 205 I HN 0.138 nan 8.210 nan 0.000 0.549 206 N N 5.620 124.328 118.700 0.013 0.000 2.294 206 N HA -0.019 4.722 4.740 0.000 0.000 0.186 206 N C -0.069 175.447 175.510 0.010 0.000 1.107 206 N CA 0.268 53.328 53.050 0.017 0.000 0.884 206 N CB 0.440 38.942 38.487 0.026 0.000 1.030 206 N HN 0.215 nan 8.380 nan 0.000 0.482 207 K N 2.031 122.438 120.400 0.011 0.000 2.357 207 K HA 0.317 4.637 4.320 0.000 0.000 0.251 207 K C -1.886 174.715 176.600 0.001 0.000 1.069 207 K CA -2.159 54.134 56.287 0.010 0.000 0.994 207 K CB 1.929 34.441 32.500 0.021 0.000 1.411 207 K HN 0.096 nan 8.250 nan 0.000 0.450 208 P HA -0.135 nan 4.420 nan 0.000 0.213 208 P C 0.646 177.935 177.300 -0.019 0.000 1.170 208 P CA 1.183 64.267 63.100 -0.026 0.000 0.893 208 P CB 0.471 32.155 31.700 -0.027 0.000 0.784 209 E N -0.731 119.464 120.200 -0.008 0.000 2.418 209 E HA -0.035 4.315 4.350 0.000 0.000 0.197 209 E C 1.720 178.323 176.600 0.005 0.000 1.026 209 E CA 0.881 57.279 56.400 -0.004 0.000 0.862 209 E CB -0.904 28.795 29.700 -0.001 0.000 0.799 209 E HN 0.320 nan 8.360 nan 0.000 0.518 210 T N -0.668 113.894 114.554 0.013 0.000 3.043 210 T HA 0.101 4.451 4.350 0.000 0.000 0.263 210 T C 1.325 176.041 174.700 0.025 0.000 1.094 210 T CA 0.749 62.865 62.100 0.027 0.000 1.127 210 T CB 0.093 68.983 68.868 0.037 0.000 0.905 210 T HN 0.353 nan 8.240 nan 0.000 0.490 211 G N 1.451 110.265 108.800 0.024 0.000 2.221 211 G HA2 0.050 4.010 3.960 0.000 0.000 0.265 211 G HA3 0.050 4.010 3.960 0.000 0.000 0.265 211 G C 0.047 175.027 174.900 0.134 0.000 1.041 211 G CA 0.081 45.214 45.100 0.056 0.000 0.807 211 G HN 0.974 nan 8.290 nan 0.000 0.502 212 A N -1.681 121.197 122.820 0.096 0.000 2.593 212 A HA 0.934 5.254 4.320 0.000 0.000 0.290 212 A C -0.527 177.112 177.584 0.092 0.000 1.126 212 A CA -0.103 52.010 52.037 0.126 0.000 0.695 212 A CB 1.874 20.924 19.000 0.085 0.000 1.290 212 A HN 1.424 nan 8.150 nan 0.000 0.414 213 V N 0.734 120.716 119.914 0.114 0.000 2.495 213 V HA 0.539 4.659 4.120 0.000 0.000 0.298 213 V C -0.400 175.727 176.094 0.055 0.000 1.031 213 V CA -0.519 61.829 62.300 0.081 0.000 0.871 213 V CB 1.356 33.242 31.823 0.105 0.000 0.988 213 V HN 0.865 nan 8.190 nan 0.000 0.432 214 E N 4.596 124.816 120.200 0.034 0.000 2.176 214 E HA 0.695 5.045 4.350 0.000 0.000 0.267 214 E C -1.455 175.150 176.600 0.009 0.000 0.893 214 E CA -0.620 55.791 56.400 0.019 0.000 0.761 214 E CB 2.639 32.347 29.700 0.014 0.000 1.133 214 E HN 0.514 nan 8.360 nan 0.000 0.409 215 L N 2.458 123.681 121.223 0.001 0.000 2.386 215 L HA 0.413 4.753 4.340 0.000 0.000 0.271 215 L C -0.325 176.533 176.870 -0.020 0.000 0.993 215 L CA -0.928 53.906 54.840 -0.010 0.000 0.819 215 L CB 1.900 43.953 42.059 -0.011 0.000 1.294 215 L HN 0.348 nan 8.230 nan 0.000 0.414 216 E N 1.571 121.754 120.200 -0.029 0.000 2.151 216 E HA 0.250 4.601 4.350 0.000 0.000 0.275 216 E C 0.389 176.951 176.600 -0.064 0.000 0.936 216 E CA 0.017 56.394 56.400 -0.039 0.000 0.777 216 E CB 1.767 31.448 29.700 -0.032 0.000 1.108 216 E HN 0.716 nan 8.360 nan 0.000 0.401 217 S N 0.881 116.532 115.700 -0.081 0.000 3.476 217 S HA -0.134 4.336 4.470 0.000 0.000 0.309 217 S C -1.846 172.627 174.600 -0.210 0.000 1.222 217 S CA 0.508 58.629 58.200 -0.132 0.000 0.922 217 S CB -2.020 61.102 63.200 -0.130 0.000 1.023 217 S HN 0.445 nan 8.310 nan 0.000 0.591 218 P HA 0.540 nan 4.420 nan 0.000 0.276 218 P C 0.294 177.470 177.300 -0.206 0.000 1.252 218 P CA -0.728 62.274 63.100 -0.163 0.000 0.802 218 P CB 0.345 32.018 31.700 -0.044 0.000 1.035 219 F N -0.014 119.936 119.950 -0.001 0.000 2.406 219 F HA 0.354 4.881 4.527 0.000 0.000 0.327 219 F C 1.028 176.831 175.800 0.004 0.000 1.153 219 F CA -0.136 57.865 58.000 0.002 0.000 1.218 219 F CB 0.410 39.409 39.000 -0.002 0.000 1.215 219 F HN 0.014 nan 8.300 nan 0.000 0.570 220 I N 3.522 124.229 120.570 0.229 0.000 2.499 220 I HA 0.252 4.422 4.170 0.000 0.000 0.288 220 I C -1.347 174.829 176.117 0.098 0.000 1.048 220 I CA -0.674 60.704 61.300 0.130 0.000 1.062 220 I CB 1.956 40.020 38.000 0.106 0.000 1.238 220 I HN 0.282 nan 8.210 nan 0.000 0.426 221 L N 7.564 128.827 121.223 0.067 0.000 2.322 221 L HA 0.656 4.996 4.340 0.000 0.000 0.281 221 L C -1.410 175.481 176.870 0.034 0.000 1.014 221 L CA -0.557 54.306 54.840 0.038 0.000 0.815 221 L CB 1.799 43.871 42.059 0.022 0.000 1.247 221 L HN 0.573 nan 8.230 nan 0.000 0.421 222 L N 4.671 125.907 121.223 0.022 0.000 2.362 222 L HA 0.722 5.062 4.340 0.000 0.000 0.275 222 L C -0.227 176.647 176.870 0.007 0.000 0.998 222 L CA -0.579 54.268 54.840 0.012 0.000 0.820 222 L CB 1.823 43.886 42.059 0.006 0.000 1.270 222 L HN 0.728 nan 8.230 nan 0.000 0.415 223 A N 0.896 123.720 122.820 0.007 0.000 2.330 223 A HA 0.389 4.709 4.320 0.000 0.000 0.313 223 A C -0.296 177.291 177.584 0.006 0.000 1.124 223 A CA -0.461 51.581 52.037 0.009 0.000 0.774 223 A CB 1.163 20.173 19.000 0.017 0.000 1.198 223 A HN 0.743 nan 8.150 nan 0.000 0.465 224 D N 1.631 122.035 120.400 0.005 0.000 2.652 224 D HA 0.164 4.804 4.640 0.000 0.000 0.247 224 D C 0.345 176.654 176.300 0.015 0.000 1.232 224 D CA 0.560 54.564 54.000 0.006 0.000 0.863 224 D CB -0.531 40.271 40.800 0.003 0.000 1.023 224 D HN 0.651 nan 8.370 nan 0.000 0.474 225 K N -2.070 118.342 120.400 0.021 0.000 2.680 225 K HA 0.446 4.766 4.320 0.000 0.000 0.295 225 K C -1.193 175.427 176.600 0.032 0.000 1.052 225 K CA -1.146 55.157 56.287 0.026 0.000 0.863 225 K CB 0.660 33.172 32.500 0.021 0.000 1.549 225 K HN -0.320 nan 8.250 nan 0.000 0.391 226 K N 0.755 121.175 120.400 0.033 0.000 2.118 226 K HA 0.451 4.771 4.320 0.000 0.000 0.267 226 K C -0.257 176.362 176.600 0.031 0.000 0.991 226 K CA -0.556 55.751 56.287 0.034 0.000 0.916 226 K CB 0.623 33.140 32.500 0.029 0.000 1.041 226 K HN 0.404 nan 8.250 nan 0.000 0.455 227 I N 0.933 121.525 120.570 0.036 0.000 2.822 227 I HA 0.318 4.489 4.170 0.000 0.000 0.312 227 I C 0.932 177.070 176.117 0.034 0.000 1.011 227 I CA -0.179 61.141 61.300 0.034 0.000 1.105 227 I CB 1.543 39.567 38.000 0.040 0.000 1.291 227 I HN 0.896 nan 8.210 nan 0.000 0.474 228 S N 2.052 117.769 115.700 0.029 0.000 4.428 228 S HA 0.062 4.532 4.470 0.000 0.000 0.199 228 S C 0.354 174.968 174.600 0.023 0.000 1.156 228 S CA -0.371 57.845 58.200 0.026 0.000 1.134 228 S CB 0.088 63.299 63.200 0.019 0.000 1.531 228 S HN 0.666 nan 8.310 nan 0.000 0.551 229 N N 0.981 119.692 118.700 0.018 0.000 2.467 229 N HA 0.230 4.971 4.740 0.000 0.000 0.262 229 N C 0.572 176.093 175.510 0.017 0.000 1.234 229 N CA 0.081 53.140 53.050 0.015 0.000 0.952 229 N CB 0.787 39.280 38.487 0.011 0.000 1.158 229 N HN 0.295 nan 8.380 nan 0.000 0.463 230 I N 2.000 122.579 120.570 0.015 0.000 2.676 230 I HA -0.108 4.062 4.170 0.000 0.000 0.259 230 I C 2.507 178.631 176.117 0.011 0.000 1.194 230 I CA 0.329 61.639 61.300 0.016 0.000 1.473 230 I CB -0.607 37.402 38.000 0.014 0.000 1.096 230 I HN 0.612 nan 8.210 nan 0.000 0.443 231 R N 1.863 122.367 120.500 0.008 0.000 2.196 231 R HA -0.348 3.992 4.340 0.000 0.000 0.244 231 R C 2.055 178.357 176.300 0.003 0.000 1.121 231 R CA 2.731 58.834 56.100 0.004 0.000 0.930 231 R CB -0.455 29.848 30.300 0.004 0.000 0.890 231 R HN 0.348 nan 8.270 nan 0.000 0.435 232 E N -0.185 120.018 120.200 0.005 0.000 2.130 232 E HA -0.200 4.150 4.350 0.000 0.000 0.196 232 E C 1.946 178.546 176.600 0.000 0.000 0.998 232 E CA 2.051 58.453 56.400 0.003 0.000 0.806 232 E CB -0.130 29.575 29.700 0.008 0.000 0.738 232 E HN 0.347 nan 8.360 nan 0.000 0.459 233 M N -0.598 119.005 119.600 0.004 0.000 2.388 233 M HA 0.057 4.538 4.480 0.000 0.000 0.265 233 M C 1.701 177.998 176.300 -0.004 0.000 1.088 233 M CA 0.815 56.116 55.300 0.002 0.000 1.134 233 M CB -0.005 32.601 32.600 0.010 0.000 1.384 233 M HN 0.054 nan 8.290 nan 0.000 0.447 234 L N 0.367 121.588 121.223 -0.003 0.000 1.990 234 L HA -0.203 4.137 4.340 0.000 0.000 0.213 234 L C -0.367 176.495 176.870 -0.013 0.000 1.072 234 L CA 1.592 56.429 54.840 -0.005 0.000 0.755 234 L CB -2.272 39.785 42.059 -0.003 0.000 0.889 234 L HN 0.224 nan 8.230 nan 0.000 0.432 235 P HA -0.096 nan 4.420 nan 0.000 0.217 235 P C 1.829 179.106 177.300 -0.038 0.000 1.154 235 P CA 1.667 64.752 63.100 -0.025 0.000 0.841 235 P CB -0.202 31.483 31.700 -0.024 0.000 0.788 236 V N -2.093 117.797 119.914 -0.040 0.000 2.407 236 V HA -0.181 3.939 4.120 0.000 0.000 0.248 236 V C 2.479 178.539 176.094 -0.057 0.000 1.055 236 V CA 1.447 63.711 62.300 -0.060 0.000 1.049 236 V CB -2.011 29.780 31.823 -0.054 0.000 0.662 236 V HN -0.071 nan 8.190 nan 0.000 0.455 237 L N 1.055 122.259 121.223 -0.032 0.000 2.017 237 L HA -0.091 4.250 4.340 0.000 0.000 0.208 237 L C 2.611 179.468 176.870 -0.021 0.000 1.073 237 L CA 2.533 57.360 54.840 -0.020 0.000 0.745 237 L CB -0.990 41.064 42.059 -0.009 0.000 0.894 237 L HN 0.518 nan 8.230 nan 0.000 0.432 238 E N -0.943 119.243 120.200 -0.023 0.000 2.160 238 E HA -0.224 4.126 4.350 0.000 0.000 0.195 238 E C 1.990 178.571 176.600 -0.032 0.000 0.991 238 E CA 1.023 57.410 56.400 -0.021 0.000 0.810 238 E CB -0.064 29.626 29.700 -0.018 0.000 0.742 238 E HN 0.651 nan 8.360 nan 0.000 0.466 239 A N 0.438 123.225 122.820 -0.054 0.000 1.855 239 A HA -0.104 4.216 4.320 0.000 0.000 0.213 239 A C 2.388 179.911 177.584 -0.102 0.000 1.195 239 A CA 1.370 53.357 52.037 -0.084 0.000 0.610 239 A CB -0.779 18.152 19.000 -0.115 0.000 0.837 239 A HN 0.284 nan 8.150 nan 0.000 0.444 240 V N -2.221 117.625 119.914 -0.113 0.000 2.626 240 V HA -0.006 4.114 4.120 0.000 0.000 0.252 240 V C 2.459 178.579 176.094 0.044 0.000 1.067 240 V CA 1.685 63.940 62.300 -0.075 0.000 1.081 240 V CB -1.436 30.378 31.823 -0.015 0.000 0.686 240 V HN 0.492 nan 8.190 nan 0.000 0.468 241 A N 0.830 123.662 122.820 0.020 0.000 1.877 241 A HA -0.171 4.149 4.320 0.000 0.000 0.216 241 A C 2.317 179.919 177.584 0.030 0.000 1.186 241 A CA 2.142 54.196 52.037 0.030 0.000 0.620 241 A CB -0.580 18.428 19.000 0.014 0.000 0.822 241 A HN 0.595 nan 8.150 nan 0.000 0.443 242 K N -0.453 119.954 120.400 0.012 0.000 2.365 242 K HA 0.112 4.432 4.320 0.000 0.000 0.199 242 K C 1.854 178.471 176.600 0.029 0.000 1.045 242 K CA 0.685 56.979 56.287 0.013 0.000 0.962 242 K CB -0.132 32.366 32.500 -0.003 0.000 0.759 242 K HN 0.453 nan 8.250 nan 0.000 0.469 243 A N 0.617 123.466 122.820 0.048 0.000 2.132 243 A HA 0.167 4.487 4.320 0.000 0.000 0.213 243 A C 1.256 178.943 177.584 0.171 0.000 1.154 243 A CA 0.791 52.901 52.037 0.122 0.000 0.753 243 A CB -0.105 18.978 19.000 0.138 0.000 0.826 243 A HN 0.337 nan 8.150 nan 0.000 0.469 244 G N -0.378 108.503 108.800 0.135 0.000 2.248 244 G HA2 -0.187 3.773 3.960 0.000 0.000 0.252 244 G HA3 -0.187 3.773 3.960 0.000 0.000 0.252 244 G C -0.213 174.745 174.900 0.098 0.000 1.085 244 G CA 0.439 45.596 45.100 0.095 0.000 0.845 244 G HN 0.629 nan 8.290 nan 0.000 0.494 245 K N -0.575 119.917 120.400 0.152 0.000 2.536 245 K HA 0.541 4.861 4.320 0.000 0.000 0.269 245 K C -2.806 173.864 176.600 0.116 0.000 0.965 245 K CA -2.162 54.178 56.287 0.089 0.000 0.860 245 K CB 2.440 34.914 32.500 -0.043 0.000 1.423 245 K HN -0.016 nan 8.250 nan 0.000 0.438 246 P HA 0.074 nan 4.420 nan 0.000 0.271 246 P C -1.114 176.242 177.300 0.093 0.000 1.238 246 P CA -0.517 62.611 63.100 0.046 0.000 0.794 246 P CB 0.467 32.169 31.700 0.004 0.000 0.959 247 L N 1.422 122.682 121.223 0.062 0.000 2.505 247 L HA 0.417 4.757 4.340 0.000 0.000 0.266 247 L C -1.864 175.017 176.870 0.018 0.000 0.954 247 L CA -0.751 54.140 54.840 0.086 0.000 0.852 247 L CB 1.702 43.814 42.059 0.089 0.000 1.282 247 L HN 0.261 nan 8.230 nan 0.000 0.403 248 L N 6.333 127.578 121.223 0.038 0.000 2.287 248 L HA 0.524 4.864 4.340 0.000 0.000 0.287 248 L C -0.680 176.213 176.870 0.039 0.000 1.022 248 L CA -0.396 54.457 54.840 0.020 0.000 0.814 248 L CB 1.551 43.636 42.059 0.044 0.000 1.217 248 L HN 0.607 nan 8.230 nan 0.000 0.420 249 I N 6.333 126.915 120.570 0.020 0.000 2.315 249 I HA 0.309 4.479 4.170 0.000 0.000 0.291 249 I C 0.037 176.200 176.117 0.077 0.000 1.006 249 I CA -0.326 60.998 61.300 0.040 0.000 1.265 249 I CB 1.432 39.445 38.000 0.022 0.000 1.387 249 I HN 0.448 nan 8.210 nan 0.000 0.475 250 I N 6.668 127.282 120.570 0.074 0.000 2.388 250 I HA 0.543 4.713 4.170 0.000 0.000 0.281 250 I C 0.191 176.329 176.117 0.035 0.000 1.046 250 I CA -0.137 61.205 61.300 0.069 0.000 1.187 250 I CB 0.920 38.946 38.000 0.044 0.000 1.351 250 I HN 0.611 nan 8.210 nan 0.000 0.472 251 A N 4.587 127.437 122.820 0.050 0.000 2.435 251 A HA 0.538 4.858 4.320 0.000 0.000 0.296 251 A C 0.685 178.297 177.584 0.048 0.000 1.147 251 A CA -0.549 51.513 52.037 0.042 0.000 0.775 251 A CB 1.284 20.314 19.000 0.050 0.000 1.340 251 A HN 0.693 nan 8.150 nan 0.000 0.427 252 E N -0.287 119.941 120.200 0.047 0.000 2.150 252 E HA -0.063 4.287 4.350 0.000 0.000 0.193 252 E C -0.366 176.270 176.600 0.060 0.000 0.985 252 E CA 1.194 57.630 56.400 0.061 0.000 0.814 252 E CB 0.200 29.942 29.700 0.070 0.000 0.752 252 E HN 0.595 nan 8.360 nan 0.000 0.466 253 D N -1.729 118.705 120.400 0.057 0.000 2.671 253 D HA 0.208 4.848 4.640 0.000 0.000 0.273 253 D C -1.806 174.534 176.300 0.068 0.000 1.264 253 D CA -0.542 53.495 54.000 0.061 0.000 0.788 253 D CB 2.298 43.121 40.800 0.038 0.000 1.324 253 D HN -0.243 nan 8.370 nan 0.000 0.424 254 V N 1.985 121.947 119.914 0.079 0.000 2.509 254 V HA 0.300 4.420 4.120 0.000 0.000 0.289 254 V C 0.203 176.341 176.094 0.072 0.000 1.026 254 V CA -0.761 61.589 62.300 0.083 0.000 0.872 254 V CB 1.497 33.392 31.823 0.121 0.000 1.017 254 V HN 0.397 nan 8.190 nan 0.000 0.436 255 E N 2.518 122.748 120.200 0.050 0.000 2.405 255 E HA 0.297 4.647 4.350 0.000 0.000 0.253 255 E C 1.411 178.032 176.600 0.035 0.000 1.257 255 E CA 0.128 56.550 56.400 0.036 0.000 0.960 255 E CB 1.060 30.775 29.700 0.024 0.000 1.077 255 E HN 0.698 nan 8.360 nan 0.000 0.512 256 G N 0.238 109.051 108.800 0.022 0.000 2.448 256 G HA2 -0.289 3.671 3.960 0.000 0.000 0.219 256 G HA3 -0.289 3.671 3.960 0.000 0.000 0.219 256 G C 1.286 176.194 174.900 0.014 0.000 1.127 256 G CA 0.797 45.905 45.100 0.014 0.000 0.766 256 G HN 0.576 nan 8.290 nan 0.000 0.552 257 E N 0.119 120.329 120.200 0.017 0.000 2.060 257 E HA 0.126 4.476 4.350 0.000 0.000 0.189 257 E C 2.816 179.432 176.600 0.027 0.000 0.974 257 E CA 0.649 57.059 56.400 0.015 0.000 0.808 257 E CB -0.136 29.571 29.700 0.011 0.000 0.768 257 E HN 0.287 nan 8.360 nan 0.000 0.453 258 A N 1.521 124.364 122.820 0.037 0.000 1.902 258 A HA -0.174 4.146 4.320 0.000 0.000 0.217 258 A C 2.198 179.834 177.584 0.086 0.000 1.181 258 A CA 1.230 53.298 52.037 0.053 0.000 0.623 258 A CB -0.770 18.262 19.000 0.052 0.000 0.818 258 A HN 0.419 nan 8.150 nan 0.000 0.443 259 L N -0.673 120.606 121.223 0.094 0.000 2.017 259 L HA -0.144 4.196 4.340 0.000 0.000 0.208 259 L C 2.830 179.760 176.870 0.101 0.000 1.073 259 L CA 1.678 56.600 54.840 0.136 0.000 0.745 259 L CB -0.397 41.716 42.059 0.090 0.000 0.894 259 L HN 0.381 nan 8.230 nan 0.000 0.432 260 A N -0.452 122.389 122.820 0.035 0.000 1.883 260 A HA -0.254 4.066 4.320 0.000 0.000 0.217 260 A C 2.338 179.936 177.584 0.023 0.000 1.186 260 A CA 2.478 54.513 52.037 -0.003 0.000 0.624 260 A CB -1.315 17.671 19.000 -0.024 0.000 0.822 260 A HN 0.634 nan 8.150 nan 0.000 0.444 261 T N -1.410 113.167 114.554 0.038 0.000 2.867 261 T HA -0.024 4.326 4.350 0.000 0.000 0.268 261 T C 1.803 176.543 174.700 0.067 0.000 1.057 261 T CA 1.325 63.449 62.100 0.039 0.000 1.136 261 T CB -0.523 68.362 68.868 0.029 0.000 0.874 261 T HN 0.290 nan 8.240 nan 0.000 0.466 262 L N 0.623 121.914 121.223 0.113 0.000 2.056 262 L HA -0.035 4.306 4.340 0.000 0.000 0.207 262 L C 2.932 179.961 176.870 0.264 0.000 1.078 262 L CA 0.774 55.708 54.840 0.156 0.000 0.749 262 L CB -0.642 41.534 42.059 0.195 0.000 0.901 262 L HN 0.156 nan 8.230 nan 0.000 0.433 263 V N -0.748 119.341 119.914 0.291 0.000 2.343 263 V HA -0.247 3.873 4.120 0.000 0.000 0.247 263 V C 2.417 178.565 176.094 0.090 0.000 1.051 263 V CA 1.508 63.929 62.300 0.202 0.000 1.036 263 V CB -0.197 31.613 31.823 -0.021 0.000 0.654 263 V HN 0.191 nan 8.190 nan 0.000 0.451 264 V N 0.740 120.678 119.914 0.041 0.000 2.343 264 V HA -0.263 3.858 4.120 0.000 0.000 0.247 264 V C 2.365 178.482 176.094 0.038 0.000 1.051 264 V CA 2.384 64.695 62.300 0.019 0.000 1.036 264 V CB -0.933 30.893 31.823 0.004 0.000 0.654 264 V HN 0.655 nan 8.190 nan 0.000 0.451 265 N N 0.276 119.006 118.700 0.050 0.000 2.244 265 N HA -0.145 4.595 4.740 0.000 0.000 0.183 265 N C 1.851 177.389 175.510 0.047 0.000 1.016 265 N CA 2.014 55.088 53.050 0.039 0.000 0.866 265 N CB -0.176 38.328 38.487 0.029 0.000 0.980 265 N HN 0.693 nan 8.380 nan 0.000 0.430 266 T N -1.295 113.307 114.554 0.080 0.000 2.684 266 T HA -0.022 4.328 4.350 0.000 0.000 0.253 266 T C 1.146 175.898 174.700 0.086 0.000 1.057 266 T CA 0.689 62.844 62.100 0.092 0.000 1.162 266 T CB -0.593 68.377 68.868 0.171 0.000 0.868 266 T HN 0.275 nan 8.240 nan 0.000 0.409 267 M N 1.157 120.817 119.600 0.100 0.000 2.143 267 M HA 0.585 5.065 4.480 0.000 0.000 0.348 267 M C 0.780 177.110 176.300 0.049 0.000 1.375 267 M CA -0.496 54.853 55.300 0.081 0.000 1.124 267 M CB 0.746 33.412 32.600 0.110 0.000 1.669 267 M HN 0.435 nan 8.290 nan 0.000 0.469 268 R N 1.681 122.205 120.500 0.040 0.000 3.943 268 R HA -0.157 4.183 4.340 0.000 0.000 0.459 268 R C 0.395 176.708 176.300 0.022 0.000 0.939 268 R CA 1.393 57.510 56.100 0.027 0.000 1.515 268 R CB -1.790 28.523 30.300 0.023 0.000 2.164 268 R HN 1.113 nan 8.270 nan 0.000 0.516 269 G N -0.218 108.597 108.800 0.025 0.000 2.553 269 G HA2 0.400 4.360 3.960 0.000 0.000 0.278 269 G HA3 0.400 4.360 3.960 0.000 0.000 0.278 269 G C 1.071 175.984 174.900 0.022 0.000 1.349 269 G CA -0.035 45.078 45.100 0.022 0.000 1.037 269 G HN 0.122 nan 8.290 nan 0.000 0.508 270 I N -0.928 119.653 120.570 0.019 0.000 2.244 270 I HA -0.009 4.162 4.170 0.000 0.000 0.231 270 I C 0.551 176.679 176.117 0.018 0.000 1.065 270 I CA 0.746 62.056 61.300 0.016 0.000 1.358 270 I CB -0.521 37.488 38.000 0.014 0.000 1.130 270 I HN -0.055 nan 8.210 nan 0.000 0.411 271 V N 1.423 121.347 119.914 0.016 0.000 2.427 271 V HA 0.154 4.274 4.120 0.000 0.000 0.286 271 V C 0.075 176.173 176.094 0.007 0.000 1.034 271 V CA -0.622 61.687 62.300 0.014 0.000 0.893 271 V CB 1.298 33.131 31.823 0.017 0.000 0.982 271 V HN 0.205 nan 8.190 nan 0.000 0.452 272 K N 3.660 124.062 120.400 0.005 0.000 3.000 272 K HA 0.175 4.495 4.320 0.000 0.000 0.265 272 K C 0.084 176.663 176.600 -0.037 0.000 1.260 272 K CA -0.092 56.192 56.287 -0.004 0.000 1.209 272 K CB -0.520 31.985 32.500 0.007 0.000 1.484 272 K HN 0.692 nan 8.250 nan 0.000 0.283 273 V N -1.586 118.290 119.914 -0.064 0.000 3.566 273 V HA 0.618 4.738 4.120 0.000 0.000 0.301 273 V C 0.380 176.306 176.094 -0.279 0.000 1.105 273 V CA -0.575 61.651 62.300 -0.122 0.000 1.142 273 V CB 1.051 32.808 31.823 -0.110 0.000 1.107 273 V HN 0.332 nan 8.190 nan 0.000 0.481 274 A N 1.153 123.763 122.820 -0.350 0.000 2.599 274 A HA 0.996 5.316 4.320 0.000 0.000 0.290 274 A C -0.513 176.815 177.584 -0.427 0.000 1.101 274 A CA -0.456 51.205 52.037 -0.627 0.000 0.674 274 A CB 1.349 20.174 19.000 -0.291 0.000 1.277 274 A HN 2.502 nan 8.150 nan 0.000 0.419 275 A N -0.200 122.395 122.820 -0.376 0.000 2.486 275 A HA 0.835 5.155 4.320 0.000 0.000 0.300 275 A C -0.616 177.105 177.584 0.228 0.000 1.048 275 A CA -0.001 52.047 52.037 0.019 0.000 0.696 275 A CB 1.322 20.381 19.000 0.099 0.000 1.278 275 A HN 2.346 nan 8.150 nan 0.000 0.405 276 V N -0.847 119.190 119.914 0.205 0.000 3.007 276 V HA 0.643 4.763 4.120 0.000 0.000 0.311 276 V C -0.518 175.704 176.094 0.214 0.000 1.120 276 V CA -1.226 61.219 62.300 0.242 0.000 0.980 276 V CB 1.704 33.693 31.823 0.277 0.000 1.033 276 V HN 0.830 nan 8.190 nan 0.000 0.429 277 K N 2.244 122.766 120.400 0.202 0.000 2.350 277 K HA 0.626 4.946 4.320 0.000 0.000 0.279 277 K C 0.489 177.163 176.600 0.122 0.000 1.027 277 K CA 0.276 56.652 56.287 0.148 0.000 0.969 277 K CB 1.436 34.010 32.500 0.122 0.000 0.954 277 K HN 1.103 nan 8.250 nan 0.000 0.474 278 A N 4.776 127.610 122.820 0.024 0.000 2.466 278 A HA 0.169 4.489 4.320 0.000 0.000 0.238 278 A C -2.055 175.423 177.584 -0.177 0.000 1.074 278 A CA -1.061 50.899 52.037 -0.129 0.000 0.774 278 A CB -0.436 18.523 19.000 -0.068 0.000 1.015 278 A HN 0.471 nan 8.150 nan 0.000 0.498 279 P HA 0.280 nan 4.420 nan 0.000 0.266 279 P C 0.927 178.175 177.300 -0.086 0.000 1.215 279 P CA 1.598 64.543 63.100 -0.257 0.000 0.763 279 P CB 0.317 31.794 31.700 -0.372 0.000 0.806 280 G N 4.003 112.812 108.800 0.014 0.000 2.556 280 G HA2 -0.129 3.831 3.960 0.000 0.000 0.283 280 G HA3 -0.129 3.831 3.960 0.000 0.000 0.283 280 G C -0.487 174.528 174.900 0.193 0.000 1.177 280 G CA 0.423 45.539 45.100 0.027 0.000 0.978 280 G HN 0.794 nan 8.290 nan 0.000 0.554 281 F N -3.585 116.359 119.950 -0.010 0.000 2.843 281 F HA 0.579 5.106 4.527 0.000 0.000 0.323 281 F C 0.844 176.641 175.800 -0.004 0.000 1.142 281 F CA 0.441 58.437 58.000 -0.007 0.000 0.925 281 F CB 0.346 39.348 39.000 0.003 0.000 1.277 281 F HN 2.522 nan 8.300 nan 0.000 0.446 282 G N 1.909 110.802 108.800 0.155 0.000 2.574 282 G HA2 -0.370 3.590 3.960 0.000 0.000 0.286 282 G HA3 -0.370 3.590 3.960 0.000 0.000 0.286 282 G C 0.283 175.152 174.900 -0.051 0.000 1.212 282 G CA 0.931 46.064 45.100 0.055 0.000 0.979 282 G HN 1.158 nan 8.290 nan 0.000 0.557 283 D N 0.432 120.786 120.400 -0.078 0.000 2.172 283 D HA -0.097 4.543 4.640 0.000 0.000 0.196 283 D C 2.502 178.747 176.300 -0.092 0.000 0.999 283 D CA 1.802 55.758 54.000 -0.073 0.000 0.856 283 D CB -0.076 40.681 40.800 -0.073 0.000 0.934 283 D HN 0.352 nan 8.370 nan 0.000 0.453 284 R N 0.450 120.860 120.500 -0.150 0.000 2.120 284 R HA -0.068 4.272 4.340 0.000 0.000 0.234 284 R C 2.084 178.327 176.300 -0.095 0.000 1.123 284 R CA 1.082 57.101 56.100 -0.134 0.000 0.975 284 R CB -0.485 29.695 30.300 -0.200 0.000 0.866 284 R HN 0.398 nan 8.270 nan 0.000 0.446 285 R N 0.791 121.242 120.500 -0.082 0.000 2.148 285 R HA -0.037 4.303 4.340 0.000 0.000 0.227 285 R C 1.210 177.479 176.300 -0.050 0.000 1.103 285 R CA 1.105 57.167 56.100 -0.063 0.000 0.983 285 R CB -0.238 30.039 30.300 -0.037 0.000 0.874 285 R HN 0.010 nan 8.270 nan 0.000 0.451 286 K N 0.895 121.270 120.400 -0.042 0.000 2.113 286 K HA -0.118 4.202 4.320 0.000 0.000 0.208 286 K C 2.048 178.629 176.600 -0.031 0.000 1.047 286 K CA 1.725 57.993 56.287 -0.031 0.000 0.928 286 K CB -0.216 32.268 32.500 -0.027 0.000 0.716 286 K HN 0.387 nan 8.250 nan 0.000 0.446 287 A N 1.183 123.981 122.820 -0.037 0.000 1.859 287 A HA 0.028 4.349 4.320 0.000 0.000 0.212 287 A C 2.233 179.794 177.584 -0.040 0.000 1.238 287 A CA 0.579 52.596 52.037 -0.034 0.000 0.613 287 A CB -0.319 18.661 19.000 -0.033 0.000 0.904 287 A HN 0.048 nan 8.150 nan 0.000 0.457 288 M N -0.839 118.728 119.600 -0.054 0.000 2.213 288 M HA -0.106 4.374 4.480 0.000 0.000 0.263 288 M C 2.127 178.379 176.300 -0.080 0.000 1.062 288 M CA 1.209 56.469 55.300 -0.066 0.000 1.105 288 M CB -0.768 31.779 32.600 -0.088 0.000 1.385 288 M HN 0.425 nan 8.290 nan 0.000 0.417 289 L N 0.142 121.318 121.223 -0.080 0.000 2.156 289 L HA -0.151 4.189 4.340 0.000 0.000 0.208 289 L C 2.375 179.220 176.870 -0.041 0.000 1.095 289 L CA 1.638 56.433 54.840 -0.076 0.000 0.770 289 L CB -0.467 41.551 42.059 -0.069 0.000 0.914 289 L HN 0.226 nan 8.230 nan 0.000 0.439 290 Q N -0.777 119.005 119.800 -0.030 0.000 2.331 290 Q HA -0.127 4.213 4.340 0.000 0.000 0.203 290 Q C 1.615 177.609 176.000 -0.011 0.000 0.944 290 Q CA 1.141 56.934 55.803 -0.016 0.000 0.892 290 Q CB -0.019 28.711 28.738 -0.014 0.000 0.983 290 Q HN 0.475 nan 8.270 nan 0.000 0.482 291 D N 0.033 120.424 120.400 -0.016 0.000 2.097 291 D HA -0.153 4.487 4.640 0.000 0.000 0.195 291 D C 1.701 178.003 176.300 0.003 0.000 0.989 291 D CA 1.225 55.221 54.000 -0.007 0.000 0.827 291 D CB -0.112 40.681 40.800 -0.011 0.000 0.966 291 D HN 0.361 nan 8.370 nan 0.000 0.456 292 I N 1.289 121.857 120.570 -0.003 0.000 2.286 292 I HA -0.244 3.926 4.170 0.000 0.000 0.248 292 I C 2.507 178.638 176.117 0.023 0.000 1.115 292 I CA 0.900 62.210 61.300 0.018 0.000 1.392 292 I CB -0.210 37.792 38.000 0.003 0.000 1.065 292 I HN -0.082 nan 8.210 nan 0.000 0.418 293 A N 0.490 123.317 122.820 0.012 0.000 1.908 293 A HA -0.219 4.101 4.320 0.000 0.000 0.218 293 A C 2.377 179.973 177.584 0.020 0.000 1.181 293 A CA 2.539 54.586 52.037 0.018 0.000 0.627 293 A CB -1.092 17.913 19.000 0.009 0.000 0.818 293 A HN 0.401 nan 8.150 nan 0.000 0.445 294 T N -0.013 114.549 114.554 0.014 0.000 2.777 294 T HA -0.109 4.241 4.350 0.000 0.000 0.266 294 T C 1.801 176.512 174.700 0.019 0.000 1.040 294 T CA 1.393 63.502 62.100 0.014 0.000 1.141 294 T CB -0.337 68.536 68.868 0.009 0.000 0.868 294 T HN 0.324 nan 8.240 nan 0.000 0.444 295 L N 2.021 123.257 121.223 0.023 0.000 2.131 295 L HA -0.041 4.299 4.340 0.000 0.000 0.210 295 L C 2.351 179.240 176.870 0.031 0.000 1.092 295 L CA 2.029 56.886 54.840 0.028 0.000 0.759 295 L CB -0.926 41.154 42.059 0.036 0.000 0.903 295 L HN 0.425 nan 8.230 nan 0.000 0.435 296 T N -4.664 109.912 114.554 0.037 0.000 3.022 296 T HA 0.396 4.746 4.350 0.000 0.000 0.250 296 T C 1.267 175.994 174.700 0.046 0.000 1.060 296 T CA 0.235 62.361 62.100 0.044 0.000 1.013 296 T CB 0.071 68.973 68.868 0.056 0.000 0.982 296 T HN 0.614 nan 8.240 nan 0.000 0.508 297 G N 0.344 109.168 108.800 0.039 0.000 2.203 297 G HA2 0.186 4.146 3.960 0.000 0.000 0.231 297 G HA3 0.186 4.146 3.960 0.000 0.000 0.231 297 G C 0.228 175.155 174.900 0.046 0.000 1.058 297 G CA -0.260 44.864 45.100 0.041 0.000 0.781 297 G HN 1.036 nan 8.290 nan 0.000 0.496 298 G N -1.623 107.201 108.800 0.039 0.000 3.211 298 G HA2 0.919 4.880 3.960 0.000 0.000 0.262 298 G HA3 0.919 4.880 3.960 0.000 0.000 0.262 298 G C -0.596 174.316 174.900 0.020 0.000 1.352 298 G CA 0.239 45.359 45.100 0.033 0.000 1.004 298 G HN 0.857 nan 8.290 nan 0.000 0.559 299 T N -0.049 114.513 114.554 0.013 0.000 2.886 299 T HA 0.495 4.845 4.350 0.000 0.000 0.292 299 T C -0.070 174.632 174.700 0.004 0.000 1.012 299 T CA -0.443 61.661 62.100 0.006 0.000 0.982 299 T CB 1.529 70.399 68.868 0.003 0.000 1.018 299 T HN 1.153 nan 8.240 nan 0.000 0.451 300 V N 0.899 120.813 119.914 -0.000 0.000 2.521 300 V HA 0.424 4.544 4.120 0.000 0.000 0.286 300 V C -0.001 176.092 176.094 -0.003 0.000 1.034 300 V CA -0.581 61.717 62.300 -0.003 0.000 1.045 300 V CB -0.609 31.209 31.823 -0.008 0.000 0.974 300 V HN 0.707 nan 8.190 nan 0.000 0.480 301 I N 5.088 125.657 120.570 -0.002 0.000 2.471 301 I HA 0.095 4.265 4.170 0.000 0.000 0.294 301 I C 1.123 177.240 176.117 -0.001 0.000 1.123 301 I CA 1.019 62.318 61.300 -0.002 0.000 1.336 301 I CB 0.352 38.351 38.000 -0.003 0.000 1.430 301 I HN 0.709 nan 8.210 nan 0.000 0.533 302 S N 6.657 122.356 115.700 -0.002 0.000 3.869 302 S HA 0.093 4.563 4.470 0.000 0.000 0.241 302 S C 1.376 175.976 174.600 0.000 0.000 1.363 302 S CA -0.476 57.724 58.200 -0.001 0.000 0.894 302 S CB -0.256 62.943 63.200 -0.003 0.000 1.519 302 S HN 0.512 nan 8.310 nan 0.000 0.470 303 E N 2.200 122.401 120.200 0.002 0.000 2.169 303 E HA -0.239 4.111 4.350 0.000 0.000 0.202 303 E C 1.098 177.700 176.600 0.004 0.000 1.016 303 E CA 1.359 57.761 56.400 0.004 0.000 0.817 303 E CB 0.017 29.721 29.700 0.007 0.000 0.736 303 E HN 0.728 nan 8.360 nan 0.000 0.462 304 E N -0.132 120.070 120.200 0.004 0.000 2.511 304 E HA -0.012 4.338 4.350 0.000 0.000 0.196 304 E C 1.818 178.419 176.600 0.002 0.000 1.066 304 E CA 0.045 56.447 56.400 0.004 0.000 0.871 304 E CB 0.046 29.749 29.700 0.004 0.000 0.863 304 E HN 0.326 nan 8.360 nan 0.000 0.520 305 I N -0.489 120.081 120.570 0.001 0.000 3.226 305 I HA 0.056 4.227 4.170 0.000 0.000 0.277 305 I C 1.531 177.648 176.117 0.001 0.000 1.243 305 I CA 0.533 61.833 61.300 0.000 0.000 1.459 305 I CB 0.315 38.314 38.000 -0.001 0.000 1.093 305 I HN 0.226 nan 8.210 nan 0.000 0.453 306 G N 1.882 110.682 108.800 0.001 0.000 2.179 306 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 306 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 306 G C 0.501 175.401 174.900 0.000 0.000 0.990 306 G CA 0.195 45.296 45.100 0.001 0.000 0.646 306 G HN 0.376 nan 8.290 nan 0.000 0.517 307 M N -0.661 118.938 119.600 -0.000 0.000 2.103 307 M HA 0.804 5.284 4.480 0.000 0.000 0.291 307 M C 0.032 176.332 176.300 -0.000 0.000 1.216 307 M CA 0.148 55.447 55.300 -0.001 0.000 1.132 307 M CB 0.941 33.540 32.600 -0.002 0.000 1.396 307 M HN 0.059 nan 8.290 nan 0.000 0.479 308 E N 0.585 120.784 120.200 -0.001 0.000 2.363 308 E HA 0.265 4.615 4.350 0.000 0.000 0.281 308 E C -0.461 176.138 176.600 -0.002 0.000 0.953 308 E CA -0.418 55.981 56.400 -0.000 0.000 0.778 308 E CB 2.224 31.925 29.700 0.001 0.000 1.220 308 E HN 1.015 nan 8.360 nan 0.000 0.431 309 L N 2.487 123.710 121.223 -0.001 0.000 2.127 309 L HA -0.137 4.203 4.340 0.000 0.000 0.211 309 L C 2.274 179.140 176.870 -0.006 0.000 1.089 309 L CA 1.441 56.279 54.840 -0.003 0.000 0.757 309 L CB -0.051 42.009 42.059 0.001 0.000 0.899 309 L HN 0.682 nan 8.230 nan 0.000 0.434 310 E N 0.584 120.782 120.200 -0.004 0.000 2.171 310 E HA -0.284 4.066 4.350 0.000 0.000 0.197 310 E C 1.492 178.086 176.600 -0.011 0.000 0.997 310 E CA 1.472 57.867 56.400 -0.007 0.000 0.810 310 E CB 0.159 29.857 29.700 -0.004 0.000 0.738 310 E HN 0.380 nan 8.360 nan 0.000 0.467 311 K N 0.223 120.617 120.400 -0.010 0.000 2.487 311 K HA 0.164 4.484 4.320 0.000 0.000 0.192 311 K C 0.287 176.877 176.600 -0.017 0.000 1.027 311 K CA 0.324 56.604 56.287 -0.012 0.000 1.054 311 K CB 0.592 33.087 32.500 -0.009 0.000 0.824 311 K HN 0.118 nan 8.250 nan 0.000 0.510 312 A N 0.286 123.094 122.820 -0.020 0.000 2.280 312 A HA 0.591 4.911 4.320 0.000 0.000 0.268 312 A C 0.188 177.749 177.584 -0.039 0.000 1.111 312 A CA 0.058 52.079 52.037 -0.026 0.000 0.814 312 A CB 0.621 19.607 19.000 -0.025 0.000 1.093 312 A HN 0.160 nan 8.150 nan 0.000 0.498 313 T N -0.917 113.606 114.554 -0.052 0.000 2.770 313 T HA 0.259 4.610 4.350 0.000 0.000 0.323 313 T C 0.964 175.605 174.700 -0.098 0.000 1.683 313 T CA -0.575 61.480 62.100 -0.075 0.000 1.024 313 T CB 0.425 69.257 68.868 -0.060 0.000 1.557 313 T HN 0.488 nan 8.240 nan 0.000 0.494 314 L N 0.910 122.043 121.223 -0.151 0.000 2.211 314 L HA -0.239 4.101 4.340 0.000 0.000 0.216 314 L C 2.677 179.472 176.870 -0.125 0.000 1.092 314 L CA 2.085 56.790 54.840 -0.226 0.000 0.767 314 L CB -0.701 41.179 42.059 -0.298 0.000 0.894 314 L HN 0.815 nan 8.230 nan 0.000 0.437 315 E N 0.021 120.180 120.200 -0.069 0.000 2.070 315 E HA -0.261 4.089 4.350 0.000 0.000 0.197 315 E C 1.145 177.737 176.600 -0.012 0.000 1.004 315 E CA 1.691 58.075 56.400 -0.028 0.000 0.805 315 E CB -0.341 29.346 29.700 -0.021 0.000 0.744 315 E HN 0.522 nan 8.360 nan 0.000 0.451 316 D N 0.343 120.731 120.400 -0.020 0.000 2.355 316 D HA 0.066 4.707 4.640 0.000 0.000 0.218 316 D C 0.089 176.393 176.300 0.007 0.000 1.004 316 D CA 0.195 54.192 54.000 -0.005 0.000 0.880 316 D CB 0.139 40.933 40.800 -0.010 0.000 0.911 316 D HN 0.100 nan 8.370 nan 0.000 0.528 317 L N 0.801 122.023 121.223 -0.000 0.000 2.397 317 L HA 0.312 4.652 4.340 0.000 0.000 0.271 317 L C 1.358 178.292 176.870 0.107 0.000 1.148 317 L CA 0.056 54.919 54.840 0.040 0.000 0.825 317 L CB 1.107 43.157 42.059 -0.014 0.000 1.117 317 L HN -0.174 nan 8.230 nan 0.000 0.456 318 G N 1.747 110.620 108.800 0.122 0.000 2.535 318 G HA2 0.656 4.616 3.960 0.000 0.000 0.303 318 G HA3 0.656 4.616 3.960 0.000 0.000 0.303 318 G C -0.951 174.044 174.900 0.158 0.000 1.237 318 G CA -0.374 44.799 45.100 0.120 0.000 0.986 318 G HN 0.531 nan 8.290 nan 0.000 0.494 319 Q N -1.705 118.147 119.800 0.087 0.000 2.462 319 Q HA 0.611 4.951 4.340 0.000 0.000 0.285 319 Q C -1.072 174.930 176.000 0.004 0.000 1.035 319 Q CA -0.885 54.929 55.803 0.019 0.000 0.799 319 Q CB 2.654 31.363 28.738 -0.047 0.000 1.452 319 Q HN 0.835 nan 8.270 nan 0.000 0.404 320 A N 0.649 123.456 122.820 -0.022 0.000 2.556 320 A HA 0.446 4.766 4.320 0.000 0.000 0.294 320 A C -0.284 177.276 177.584 -0.041 0.000 1.091 320 A CA -0.618 51.409 52.037 -0.017 0.000 0.704 320 A CB 1.436 20.439 19.000 0.005 0.000 1.300 320 A HN 0.727 nan 8.150 nan 0.000 0.406 321 K N -0.167 120.213 120.400 -0.033 0.000 2.097 321 K HA -0.009 4.311 4.320 0.000 0.000 0.205 321 K C 0.493 177.071 176.600 -0.037 0.000 1.050 321 K CA 1.147 57.410 56.287 -0.041 0.000 0.938 321 K CB 0.078 32.560 32.500 -0.030 0.000 0.718 321 K HN 0.553 nan 8.250 nan 0.000 0.442 322 R N -0.037 120.448 120.500 -0.026 0.000 2.725 322 R HA 0.412 4.752 4.340 0.000 0.000 0.277 322 R C -1.801 174.490 176.300 -0.015 0.000 0.987 322 R CA -0.496 55.591 56.100 -0.022 0.000 0.901 322 R CB 2.764 33.053 30.300 -0.018 0.000 1.207 322 R HN -0.133 nan 8.270 nan 0.000 0.463 323 V N 3.739 123.645 119.914 -0.013 0.000 2.789 323 V HA 0.727 4.847 4.120 0.000 0.000 0.311 323 V C -1.238 174.849 176.094 -0.010 0.000 1.073 323 V CA -0.526 61.767 62.300 -0.011 0.000 0.921 323 V CB 2.165 33.989 31.823 0.001 0.000 1.009 323 V HN 0.572 nan 8.190 nan 0.000 0.426 324 V N 4.661 124.562 119.914 -0.021 0.000 2.789 324 V HA 0.827 4.948 4.120 0.000 0.000 0.311 324 V C -1.058 175.024 176.094 -0.021 0.000 1.073 324 V CA -0.666 61.630 62.300 -0.006 0.000 0.921 324 V CB 1.753 33.577 31.823 0.003 0.000 1.009 324 V HN 0.742 nan 8.190 nan 0.000 0.426 325 I N 4.522 125.106 120.570 0.024 0.000 2.619 325 I HA 0.674 4.844 4.170 0.000 0.000 0.292 325 I C -0.295 175.882 176.117 0.100 0.000 1.100 325 I CA -0.132 61.194 61.300 0.043 0.000 1.043 325 I CB 2.173 40.243 38.000 0.116 0.000 1.239 325 I HN 1.037 nan 8.210 nan 0.000 0.420 326 N N 4.001 122.717 118.700 0.026 0.000 3.201 326 N HA 0.408 5.149 4.740 0.000 0.000 0.344 326 N C 0.699 176.028 175.510 -0.301 0.000 1.465 326 N CA -0.898 52.165 53.050 0.021 0.000 0.731 326 N CB 0.397 38.851 38.487 -0.055 0.000 1.677 326 N HN 0.449 nan 8.380 nan 0.000 0.631 327 K N -0.898 119.310 120.400 -0.321 0.000 2.117 327 K HA -0.298 4.022 4.320 0.000 0.000 0.215 327 K C -0.368 175.893 176.600 -0.565 0.000 1.053 327 K CA 2.928 58.891 56.287 -0.540 0.000 0.935 327 K CB -0.378 32.001 32.500 -0.202 0.000 0.719 327 K HN 0.853 nan 8.250 nan 0.000 0.460 328 D N -3.121 117.082 120.400 -0.328 0.000 2.480 328 D HA 0.079 4.719 4.640 0.000 0.000 0.276 328 D C -0.609 175.614 176.300 -0.128 0.000 1.294 328 D CA -0.380 53.498 54.000 -0.203 0.000 0.829 328 D CB 0.649 41.368 40.800 -0.136 0.000 1.242 328 D HN -0.016 nan 8.370 nan 0.000 0.513 329 T N -0.354 114.114 114.554 -0.142 0.000 2.909 329 T HA 0.723 5.073 4.350 0.000 0.000 0.299 329 T C -0.904 173.690 174.700 -0.176 0.000 1.073 329 T CA -0.471 61.556 62.100 -0.123 0.000 0.999 329 T CB 2.337 71.158 68.868 -0.078 0.000 1.098 329 T HN -0.097 nan 8.240 nan 0.000 0.477 330 T N 1.383 115.745 114.554 -0.320 0.000 2.903 330 T HA 0.793 5.143 4.350 0.000 0.000 0.299 330 T C -0.934 173.464 174.700 -0.504 0.000 1.093 330 T CA -0.592 61.241 62.100 -0.444 0.000 1.002 330 T CB 2.090 70.549 68.868 -0.681 0.000 1.127 330 T HN 0.680 nan 8.240 nan 0.000 0.488 331 T N 1.803 116.167 114.554 -0.317 0.000 2.982 331 T HA 0.650 5.000 4.350 0.000 0.000 0.321 331 T C -1.496 173.139 174.700 -0.108 0.000 1.229 331 T CA -0.744 61.230 62.100 -0.209 0.000 1.044 331 T CB 0.489 69.286 68.868 -0.118 0.000 1.184 331 T HN 0.622 nan 8.240 nan 0.000 0.477 332 I N 2.428 122.969 120.570 -0.047 0.000 2.493 332 I HA 0.762 4.932 4.170 0.000 0.000 0.298 332 I C -0.958 175.161 176.117 0.003 0.000 0.998 332 I CA -1.161 60.139 61.300 0.000 0.000 1.137 332 I CB 1.735 39.765 38.000 0.050 0.000 1.310 332 I HN 0.515 nan 8.210 nan 0.000 0.445 333 I N 3.976 124.545 120.570 -0.001 0.000 2.466 333 I HA 0.312 4.482 4.170 0.000 0.000 0.289 333 I C -0.858 175.257 176.117 -0.004 0.000 1.026 333 I CA -0.466 60.831 61.300 -0.004 0.000 1.078 333 I CB 1.690 39.683 38.000 -0.011 0.000 1.249 333 I HN 0.720 nan 8.210 nan 0.000 0.429 334 D N 5.055 125.455 120.400 -0.001 0.000 3.357 334 D HA -0.120 4.520 4.640 0.000 0.000 0.238 334 D C 0.160 176.460 176.300 -0.000 0.000 1.126 334 D CA 0.863 54.862 54.000 -0.002 0.000 0.984 334 D CB -0.170 40.625 40.800 -0.008 0.000 0.925 334 D HN 0.846 nan 8.370 nan 0.000 0.414 335 G N 1.072 109.877 108.800 0.009 0.000 2.378 335 G HA2 0.337 4.297 3.960 0.000 0.000 0.255 335 G HA3 0.337 4.297 3.960 0.000 0.000 0.255 335 G C 1.416 176.322 174.900 0.011 0.000 1.270 335 G CA -0.320 44.789 45.100 0.015 0.000 0.876 335 G HN 0.340 nan 8.290 nan 0.000 0.521 336 V N 3.044 122.964 119.914 0.011 0.000 3.305 336 V HA 0.013 4.133 4.120 0.000 0.000 0.269 336 V C 2.133 178.237 176.094 0.017 0.000 1.157 336 V CA 0.903 63.208 62.300 0.009 0.000 1.157 336 V CB -1.020 30.806 31.823 0.006 0.000 0.772 336 V HN 0.804 nan 8.190 nan 0.000 0.498 337 G N 0.996 109.809 108.800 0.021 0.000 2.414 337 G HA2 0.095 4.055 3.960 0.000 0.000 0.236 337 G HA3 0.095 4.055 3.960 0.000 0.000 0.236 337 G C -0.001 174.908 174.900 0.014 0.000 1.293 337 G CA -0.322 44.790 45.100 0.020 0.000 0.869 337 G HN 0.341 nan 8.290 nan 0.000 0.556 338 E N 1.868 122.076 120.200 0.013 0.000 2.384 338 E HA 0.017 4.367 4.350 0.000 0.000 0.266 338 E C 1.010 177.615 176.600 0.008 0.000 1.012 338 E CA -0.350 56.056 56.400 0.010 0.000 0.901 338 E CB 1.100 30.805 29.700 0.010 0.000 0.967 338 E HN 0.534 nan 8.360 nan 0.000 0.435 339 E N 2.085 122.289 120.200 0.006 0.000 2.118 339 E HA -0.188 4.162 4.350 0.000 0.000 0.195 339 E C 1.761 178.364 176.600 0.005 0.000 0.992 339 E CA 1.276 57.679 56.400 0.005 0.000 0.804 339 E CB -0.238 29.464 29.700 0.004 0.000 0.741 339 E HN 0.609 nan 8.360 nan 0.000 0.458 340 A N 1.247 124.070 122.820 0.004 0.000 1.986 340 A HA -0.143 4.177 4.320 0.000 0.000 0.220 340 A C 2.332 179.918 177.584 0.004 0.000 1.171 340 A CA 2.186 54.225 52.037 0.004 0.000 0.640 340 A CB -0.369 18.633 19.000 0.004 0.000 0.811 340 A HN 0.281 nan 8.150 nan 0.000 0.451 341 A N -0.720 122.103 122.820 0.006 0.000 1.956 341 A HA 0.240 4.560 4.320 0.000 0.000 0.212 341 A C 2.053 179.640 177.584 0.006 0.000 1.188 341 A CA 0.897 52.938 52.037 0.006 0.000 0.675 341 A CB -0.315 18.690 19.000 0.008 0.000 0.845 341 A HN 0.433 nan 8.150 nan 0.000 0.455 342 I N -0.270 120.304 120.570 0.007 0.000 2.193 342 I HA -0.200 3.970 4.170 0.000 0.000 0.240 342 I C 2.315 178.436 176.117 0.005 0.000 1.084 342 I CA 0.990 62.295 61.300 0.008 0.000 1.365 342 I CB -0.317 37.688 38.000 0.009 0.000 1.064 342 I HN 0.257 nan 8.210 nan 0.000 0.410 343 Q N 0.829 120.632 119.800 0.004 0.000 2.297 343 Q HA -0.030 4.310 4.340 0.000 0.000 0.204 343 Q C 2.214 178.215 176.000 0.002 0.000 0.962 343 Q CA 1.309 57.114 55.803 0.003 0.000 0.879 343 Q CB -0.784 27.955 28.738 0.002 0.000 0.947 343 Q HN 0.578 nan 8.270 nan 0.000 0.462 344 G N 1.026 109.827 108.800 0.002 0.000 2.402 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.216 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.216 344 G C 1.703 176.604 174.900 0.001 0.000 1.162 344 G CA 0.732 45.833 45.100 0.002 0.000 0.777 344 G HN 0.257 nan 8.290 nan 0.000 0.539 345 R N 0.195 120.696 120.500 0.002 0.000 2.081 345 R HA -0.019 4.321 4.340 0.000 0.000 0.235 345 R C 2.681 178.981 176.300 -0.000 0.000 1.131 345 R CA 1.293 57.393 56.100 0.001 0.000 0.960 345 R CB -0.932 29.369 30.300 0.003 0.000 0.856 345 R HN 0.224 nan 8.270 nan 0.000 0.436 346 V N 0.578 120.492 119.914 0.001 0.000 2.282 346 V HA -0.295 3.825 4.120 0.000 0.000 0.249 346 V C 2.324 178.417 176.094 -0.002 0.000 1.057 346 V CA 2.128 64.428 62.300 -0.001 0.000 1.032 346 V CB -0.991 30.832 31.823 0.000 0.000 0.645 346 V HN 0.549 nan 8.190 nan 0.000 0.447 347 A N -1.064 121.755 122.820 -0.002 0.000 1.902 347 A HA -0.287 4.033 4.320 0.000 0.000 0.217 347 A C 2.166 179.748 177.584 -0.003 0.000 1.181 347 A CA 1.949 53.984 52.037 -0.002 0.000 0.623 347 A CB -0.512 18.487 19.000 -0.001 0.000 0.818 347 A HN 0.637 nan 8.150 nan 0.000 0.443 348 Q N -0.588 119.210 119.800 -0.003 0.000 2.096 348 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 348 Q C 2.018 178.015 176.000 -0.005 0.000 0.982 348 Q CA 1.638 57.439 55.803 -0.003 0.000 0.850 348 Q CB -0.356 28.380 28.738 -0.003 0.000 0.901 348 Q HN 0.756 nan 8.270 nan 0.000 0.422 349 I N 0.275 120.841 120.570 -0.006 0.000 2.252 349 I HA -0.276 3.895 4.170 0.000 0.000 0.245 349 I C 2.365 178.477 176.117 -0.008 0.000 1.102 349 I CA 1.073 62.368 61.300 -0.008 0.000 1.385 349 I CB -0.231 37.764 38.000 -0.008 0.000 1.064 349 I HN 0.133 nan 8.210 nan 0.000 0.414 350 R N 0.231 120.728 120.500 -0.007 0.000 2.127 350 R HA -0.200 4.140 4.340 0.000 0.000 0.238 350 R C 2.069 178.366 176.300 -0.006 0.000 1.134 350 R CA 1.056 57.152 56.100 -0.006 0.000 0.975 350 R CB -0.337 29.960 30.300 -0.005 0.000 0.865 350 R HN 0.462 nan 8.270 nan 0.000 0.447 351 Q N 0.414 120.211 119.800 -0.005 0.000 2.444 351 Q HA -0.061 4.279 4.340 0.000 0.000 0.206 351 Q C 1.063 177.060 176.000 -0.005 0.000 0.948 351 Q CA 0.668 56.469 55.803 -0.004 0.000 0.946 351 Q CB 0.488 29.224 28.738 -0.003 0.000 1.027 351 Q HN 0.464 nan 8.270 nan 0.000 0.513 352 Q N -0.801 118.995 119.800 -0.006 0.000 2.373 352 Q HA 0.125 4.465 4.340 0.000 0.000 0.210 352 Q C 1.764 177.759 176.000 -0.007 0.000 0.913 352 Q CA 0.174 55.973 55.803 -0.007 0.000 0.911 352 Q CB 0.472 29.205 28.738 -0.009 0.000 1.040 352 Q HN 0.315 nan 8.270 nan 0.000 0.521 353 I N 2.091 122.656 120.570 -0.009 0.000 2.567 353 I HA -0.273 3.897 4.170 0.000 0.000 0.257 353 I C 2.260 178.373 176.117 -0.006 0.000 1.184 353 I CA 1.247 62.541 61.300 -0.009 0.000 1.451 353 I CB -0.222 37.771 38.000 -0.011 0.000 1.089 353 I HN 0.338 nan 8.210 nan 0.000 0.441 354 E N 0.812 121.010 120.200 -0.004 0.000 2.274 354 E HA -0.239 4.111 4.350 0.000 0.000 0.194 354 E C 1.652 178.252 176.600 -0.001 0.000 0.996 354 E CA 0.903 57.302 56.400 -0.003 0.000 0.840 354 E CB -0.138 29.561 29.700 -0.002 0.000 0.772 354 E HN 0.385 nan 8.360 nan 0.000 0.491 355 E N 1.044 121.243 120.200 -0.001 0.000 2.110 355 E HA -0.065 4.285 4.350 0.000 0.000 0.193 355 E C 1.359 177.961 176.600 0.003 0.000 0.988 355 E CA 1.605 58.005 56.400 0.001 0.000 0.804 355 E CB -0.292 29.409 29.700 0.000 0.000 0.745 355 E HN 0.468 nan 8.360 nan 0.000 0.458 356 A N -0.727 122.094 122.820 0.003 0.000 3.132 356 A HA -0.281 4.040 4.320 0.000 0.000 0.266 356 A C 1.416 179.006 177.584 0.011 0.000 1.216 356 A CA 1.634 53.674 52.037 0.005 0.000 0.985 356 A CB -2.589 16.412 19.000 0.003 0.000 1.102 356 A HN 0.277 nan 8.150 nan 0.000 0.833 357 T N -0.488 114.075 114.554 0.014 0.000 3.361 357 T HA 0.417 4.767 4.350 0.000 0.000 0.251 357 T C 0.367 175.082 174.700 0.025 0.000 1.131 357 T CA 1.168 63.278 62.100 0.016 0.000 1.001 357 T CB -0.483 68.393 68.868 0.013 0.000 1.003 357 T HN 1.909 nan 8.240 nan 0.000 0.558 358 S N -0.215 115.506 115.700 0.034 0.000 2.675 358 S HA 0.169 4.639 4.470 0.000 0.000 0.297 358 S C -0.994 173.643 174.600 0.061 0.000 1.035 358 S CA -0.727 57.505 58.200 0.054 0.000 0.852 358 S CB 0.796 64.041 63.200 0.074 0.000 1.051 358 S HN 0.024 nan 8.310 nan 0.000 0.451 359 D N 1.521 121.961 120.400 0.067 0.000 2.277 359 D HA 0.097 4.738 4.640 0.000 0.000 0.208 359 D C 1.234 177.578 176.300 0.073 0.000 0.962 359 D CA 0.984 55.017 54.000 0.055 0.000 0.865 359 D CB -0.037 40.791 40.800 0.047 0.000 0.939 359 D HN 0.586 nan 8.370 nan 0.000 0.510 360 Y N 1.257 121.556 120.300 -0.002 0.000 2.184 360 Y HA -0.129 4.422 4.550 0.000 0.000 0.290 360 Y C 1.342 177.239 175.900 -0.006 0.000 1.129 360 Y CA 1.544 59.643 58.100 -0.003 0.000 1.144 360 Y CB 0.005 38.464 38.460 -0.003 0.000 0.995 360 Y HN -0.146 nan 8.280 nan 0.000 0.513 361 D N -0.397 120.097 120.400 0.157 0.000 2.117 361 D HA -0.137 4.504 4.640 0.000 0.000 0.198 361 D C 2.157 178.442 176.300 -0.026 0.000 0.982 361 D CA 1.340 55.384 54.000 0.073 0.000 0.828 361 D CB -0.234 40.627 40.800 0.103 0.000 0.967 361 D HN 0.205 nan 8.370 nan 0.000 0.464 362 R N 0.653 121.144 120.500 -0.015 0.000 2.096 362 R HA -0.149 4.191 4.340 0.000 0.000 0.235 362 R C 2.076 178.340 176.300 -0.060 0.000 1.127 362 R CA 1.231 57.315 56.100 -0.028 0.000 0.968 362 R CB 0.002 30.297 30.300 -0.010 0.000 0.861 362 R HN 0.245 nan 8.270 nan 0.000 0.440 363 E N 0.469 120.612 120.200 -0.094 0.000 2.058 363 E HA -0.233 4.117 4.350 0.000 0.000 0.194 363 E C 1.434 177.938 176.600 -0.159 0.000 0.997 363 E CA 1.498 57.821 56.400 -0.128 0.000 0.801 363 E CB 0.148 29.749 29.700 -0.165 0.000 0.746 363 E HN 0.065 nan 8.360 nan 0.000 0.450 364 K N 0.142 120.402 120.400 -0.233 0.000 2.365 364 K HA 0.011 4.331 4.320 0.000 0.000 0.199 364 K C 1.864 178.402 176.600 -0.103 0.000 1.045 364 K CA 0.469 56.635 56.287 -0.202 0.000 0.962 364 K CB 0.023 32.349 32.500 -0.290 0.000 0.759 364 K HN 0.207 nan 8.250 nan 0.000 0.469 365 L N -0.263 120.914 121.223 -0.077 0.000 2.095 365 L HA -0.120 4.220 4.340 0.000 0.000 0.204 365 L C 2.372 179.218 176.870 -0.040 0.000 1.080 365 L CA 0.855 55.667 54.840 -0.046 0.000 0.759 365 L CB -0.252 41.788 42.059 -0.032 0.000 0.914 365 L HN 0.134 nan 8.230 nan 0.000 0.439 366 Q N 0.768 120.540 119.800 -0.046 0.000 2.124 366 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 366 Q C 1.907 177.886 176.000 -0.035 0.000 0.977 366 Q CA 1.587 57.369 55.803 -0.036 0.000 0.850 366 Q CB -0.070 28.646 28.738 -0.037 0.000 0.901 366 Q HN 0.401 nan 8.270 nan 0.000 0.429 367 E N -0.208 119.964 120.200 -0.048 0.000 2.130 367 E HA -0.239 4.111 4.350 0.000 0.000 0.196 367 E C 1.958 178.546 176.600 -0.020 0.000 0.998 367 E CA 1.282 57.660 56.400 -0.037 0.000 0.806 367 E CB -0.111 29.559 29.700 -0.050 0.000 0.738 367 E HN 0.358 nan 8.360 nan 0.000 0.459 368 R N 0.098 120.585 120.500 -0.022 0.000 2.285 368 R HA -0.069 4.272 4.340 0.000 0.000 0.213 368 R C 2.143 178.439 176.300 -0.006 0.000 1.068 368 R CA 0.485 56.578 56.100 -0.011 0.000 1.004 368 R CB 0.084 30.375 30.300 -0.016 0.000 0.873 368 R HN 0.056 nan 8.270 nan 0.000 0.467 369 V N 0.171 120.079 119.914 -0.010 0.000 2.426 369 V HA -0.062 4.058 4.120 0.000 0.000 0.242 369 V C 2.342 178.434 176.094 -0.004 0.000 1.036 369 V CA 1.677 63.973 62.300 -0.007 0.000 1.044 369 V CB -0.473 31.344 31.823 -0.009 0.000 0.688 369 V HN 0.324 nan 8.190 nan 0.000 0.462 370 A N -0.108 122.708 122.820 -0.006 0.000 1.883 370 A HA -0.190 4.130 4.320 0.000 0.000 0.217 370 A C 2.017 179.603 177.584 0.004 0.000 1.186 370 A CA 1.539 53.574 52.037 -0.003 0.000 0.624 370 A CB -0.388 18.608 19.000 -0.008 0.000 0.822 370 A HN 0.379 nan 8.150 nan 0.000 0.444 371 K N -1.233 119.173 120.400 0.009 0.000 2.589 371 K HA 0.183 4.504 4.320 0.000 0.000 0.192 371 K C 0.716 177.330 176.600 0.025 0.000 1.029 371 K CA 0.411 56.712 56.287 0.023 0.000 1.031 371 K CB 0.073 32.594 32.500 0.035 0.000 0.821 371 K HN 0.484 nan 8.250 nan 0.000 0.502 372 L N -1.681 119.551 121.223 0.015 0.000 2.681 372 L HA 0.235 4.575 4.340 0.000 0.000 0.163 372 L C 1.726 178.601 176.870 0.009 0.000 1.188 372 L CA 0.872 55.721 54.840 0.014 0.000 0.944 372 L CB -0.790 41.277 42.059 0.012 0.000 1.835 372 L HN -0.098 nan 8.230 nan 0.000 0.510 373 A N 0.144 122.967 122.820 0.004 0.000 1.892 373 A HA -0.065 4.255 4.320 0.000 0.000 0.218 373 A C 1.996 179.581 177.584 0.001 0.000 1.188 373 A CA 2.302 54.340 52.037 0.002 0.000 0.631 373 A CB -1.585 17.415 19.000 -0.000 0.000 0.822 373 A HN 0.567 nan 8.150 nan 0.000 0.447 374 G N -2.334 106.467 108.800 0.001 0.000 2.679 374 G HA2 0.295 4.255 3.960 0.000 0.000 0.214 374 G HA3 0.295 4.255 3.960 0.000 0.000 0.214 374 G C 1.522 176.424 174.900 0.003 0.000 1.315 374 G CA 1.911 47.011 45.100 0.001 0.000 0.836 374 G HN 1.733 nan 8.290 nan 0.000 0.580 375 G N -1.786 107.018 108.800 0.007 0.000 5.064 375 G HA2 -0.169 3.791 3.960 0.000 0.000 0.277 375 G HA3 -0.169 3.791 3.960 0.000 0.000 0.277 375 G C -0.005 174.901 174.900 0.009 0.000 1.580 375 G CA 0.423 45.530 45.100 0.012 0.000 1.109 375 G HN 1.382 nan 8.290 nan 0.000 0.695 376 V N 1.281 121.197 119.914 0.003 0.000 2.841 376 V HA 0.790 4.910 4.120 0.000 0.000 0.310 376 V C 0.217 176.307 176.094 -0.006 0.000 1.090 376 V CA -0.091 62.208 62.300 -0.003 0.000 0.930 376 V CB 1.697 33.518 31.823 -0.004 0.000 1.014 376 V HN 1.790 nan 8.190 nan 0.000 0.425 377 A N 3.782 126.596 122.820 -0.010 0.000 2.305 377 A HA 0.861 5.181 4.320 0.000 0.000 0.322 377 A C -0.458 177.116 177.584 -0.017 0.000 1.187 377 A CA -0.516 51.513 52.037 -0.013 0.000 0.825 377 A CB 1.306 20.297 19.000 -0.015 0.000 1.164 377 A HN 1.365 nan 8.150 nan 0.000 0.498 378 V N 0.836 120.741 119.914 -0.016 0.000 2.459 378 V HA 0.674 4.794 4.120 0.000 0.000 0.295 378 V C -0.325 175.757 176.094 -0.020 0.000 1.029 378 V CA -0.615 61.675 62.300 -0.018 0.000 0.874 378 V CB 1.070 32.883 31.823 -0.015 0.000 0.985 378 V HN 0.637 nan 8.190 nan 0.000 0.438 379 I N 4.024 124.580 120.570 -0.023 0.000 2.307 379 I HA 0.400 4.570 4.170 0.000 0.000 0.289 379 I C 0.263 176.367 176.117 -0.021 0.000 1.021 379 I CA -0.374 60.912 61.300 -0.024 0.000 1.224 379 I CB 1.275 39.256 38.000 -0.031 0.000 1.376 379 I HN 0.634 nan 8.210 nan 0.000 0.470 380 K N 5.581 125.970 120.400 -0.018 0.000 2.285 380 K HA 0.336 4.656 4.320 0.000 0.000 0.286 380 K C -0.639 175.951 176.600 -0.016 0.000 1.072 380 K CA -0.502 55.775 56.287 -0.016 0.000 0.913 380 K CB 1.396 33.888 32.500 -0.014 0.000 1.067 380 K HN 0.330 nan 8.250 nan 0.000 0.479 381 V N 3.382 123.287 119.914 -0.016 0.000 2.397 381 V HA 0.113 4.233 4.120 0.000 0.000 0.262 381 V C 0.817 176.903 176.094 -0.013 0.000 1.047 381 V CA -0.480 61.810 62.300 -0.016 0.000 1.003 381 V CB 0.594 32.407 31.823 -0.015 0.000 1.037 381 V HN 0.868 nan 8.190 nan 0.000 0.480 382 G N 3.829 112.621 108.800 -0.013 0.000 2.338 382 G HA2 0.704 4.664 3.960 0.000 0.000 0.298 382 G HA3 0.704 4.664 3.960 0.000 0.000 0.298 382 G C -0.271 174.622 174.900 -0.011 0.000 1.140 382 G CA 0.348 45.441 45.100 -0.012 0.000 0.860 382 G HN 1.203 nan 8.290 nan 0.000 0.470 383 A N 0.908 123.723 122.820 -0.010 0.000 2.586 383 A HA 0.752 5.072 4.320 0.000 0.000 0.291 383 A C 0.508 178.088 177.584 -0.008 0.000 1.062 383 A CA 0.176 52.208 52.037 -0.009 0.000 0.666 383 A CB 0.576 19.570 19.000 -0.009 0.000 1.281 383 A HN 1.778 nan 8.150 nan 0.000 0.421 384 A N -0.363 122.453 122.820 -0.008 0.000 2.251 384 A HA 0.534 4.854 4.320 0.000 0.000 0.209 384 A C 0.917 178.497 177.584 -0.006 0.000 1.187 384 A CA 1.643 53.676 52.037 -0.007 0.000 0.823 384 A CB -0.316 18.680 19.000 -0.007 0.000 0.846 384 A HN 2.170 nan 8.150 nan 0.000 0.486 385 T N -2.634 111.916 114.554 -0.006 0.000 2.886 385 T HA 0.242 4.592 4.350 0.000 0.000 0.330 385 T C 0.372 175.069 174.700 -0.006 0.000 1.488 385 T CA 0.073 62.170 62.100 -0.006 0.000 1.054 385 T CB 1.267 70.132 68.868 -0.005 0.000 1.348 385 T HN 0.238 nan 8.240 nan 0.000 0.489 386 E N 1.603 121.799 120.200 -0.006 0.000 2.233 386 E HA -0.133 4.217 4.350 0.000 0.000 0.199 386 E C 1.551 178.148 176.600 -0.005 0.000 1.004 386 E CA 1.894 58.290 56.400 -0.005 0.000 0.819 386 E CB -0.008 29.689 29.700 -0.005 0.000 0.738 386 E HN 0.529 nan 8.360 nan 0.000 0.478 387 V N 0.613 120.525 119.914 -0.004 0.000 2.346 387 V HA -0.186 3.934 4.120 0.000 0.000 0.244 387 V C 2.349 178.440 176.094 -0.004 0.000 1.037 387 V CA 2.041 64.339 62.300 -0.004 0.000 1.029 387 V CB -0.478 31.343 31.823 -0.003 0.000 0.663 387 V HN 0.321 nan 8.190 nan 0.000 0.454 388 E N -0.209 119.988 120.200 -0.005 0.000 2.106 388 E HA -0.224 4.126 4.350 0.000 0.000 0.192 388 E C 2.272 178.868 176.600 -0.007 0.000 0.984 388 E CA 1.190 57.587 56.400 -0.006 0.000 0.806 388 E CB -0.128 29.568 29.700 -0.007 0.000 0.750 388 E HN 0.472 nan 8.360 nan 0.000 0.458 389 M N 0.648 120.244 119.600 -0.007 0.000 2.108 389 M HA -0.214 4.266 4.480 0.000 0.000 0.261 389 M C 1.771 178.067 176.300 -0.007 0.000 1.066 389 M CA 1.680 56.975 55.300 -0.008 0.000 1.107 389 M CB -0.084 32.512 32.600 -0.007 0.000 1.356 389 M HN -0.012 nan 8.290 nan 0.000 0.406 390 K N -0.627 119.770 120.400 -0.005 0.000 2.296 390 K HA -0.116 4.205 4.320 0.000 0.000 0.200 390 K C 1.920 178.518 176.600 -0.002 0.000 1.048 390 K CA 0.553 56.838 56.287 -0.003 0.000 0.966 390 K CB -0.033 32.466 32.500 -0.001 0.000 0.754 390 K HN 0.265 nan 8.250 nan 0.000 0.466 391 E N 1.766 121.964 120.200 -0.003 0.000 2.031 391 E HA -0.200 4.150 4.350 0.000 0.000 0.193 391 E C 1.810 178.406 176.600 -0.005 0.000 0.994 391 E CA 1.432 57.830 56.400 -0.003 0.000 0.800 391 E CB 0.104 29.802 29.700 -0.005 0.000 0.752 391 E HN 0.123 nan 8.360 nan 0.000 0.447 392 K N 0.720 121.115 120.400 -0.008 0.000 2.147 392 K HA -0.156 4.164 4.320 0.000 0.000 0.205 392 K C 2.258 178.850 176.600 -0.013 0.000 1.049 392 K CA 1.251 57.531 56.287 -0.012 0.000 0.936 392 K CB -0.031 32.461 32.500 -0.012 0.000 0.722 392 K HN -0.073 nan 8.250 nan 0.000 0.446 393 K N 0.265 120.659 120.400 -0.010 0.000 1.991 393 K HA -0.153 4.167 4.320 0.000 0.000 0.212 393 K C 1.903 178.499 176.600 -0.007 0.000 1.049 393 K CA 1.533 57.814 56.287 -0.010 0.000 0.932 393 K CB -0.250 32.247 32.500 -0.005 0.000 0.717 393 K HN 0.189 nan 8.250 nan 0.000 0.441 394 A N 0.976 123.797 122.820 0.001 0.000 2.125 394 A HA -0.155 4.165 4.320 0.000 0.000 0.219 394 A C 2.046 179.632 177.584 0.003 0.000 1.156 394 A CA 1.418 53.461 52.037 0.010 0.000 0.671 394 A CB -0.424 18.583 19.000 0.012 0.000 0.794 394 A HN 0.371 nan 8.150 nan 0.000 0.459 395 R N -0.864 119.631 120.500 -0.007 0.000 2.100 395 R HA 0.019 4.359 4.340 0.000 0.000 0.220 395 R C 1.847 178.131 176.300 -0.027 0.000 1.091 395 R CA 1.144 57.236 56.100 -0.014 0.000 0.986 395 R CB -0.174 30.117 30.300 -0.014 0.000 0.888 395 R HN 0.308 nan 8.270 nan 0.000 0.444 396 V N 1.232 121.125 119.914 -0.035 0.000 2.295 396 V HA -0.239 3.881 4.120 0.000 0.000 0.246 396 V C 1.883 177.919 176.094 -0.096 0.000 1.049 396 V CA 2.000 64.265 62.300 -0.059 0.000 1.024 396 V CB -0.413 31.377 31.823 -0.055 0.000 0.648 396 V HN 0.398 nan 8.190 nan 0.000 0.447 397 E N 0.012 120.164 120.200 -0.079 0.000 2.031 397 E HA -0.222 4.128 4.350 0.000 0.000 0.193 397 E C 1.906 178.469 176.600 -0.062 0.000 0.994 397 E CA 1.467 57.797 56.400 -0.116 0.000 0.800 397 E CB -0.232 29.487 29.700 0.033 0.000 0.752 397 E HN 0.558 nan 8.360 nan 0.000 0.447 398 D N -0.022 120.390 120.400 0.021 0.000 2.350 398 D HA -0.057 4.584 4.640 0.000 0.000 0.216 398 D C 1.474 177.776 176.300 0.005 0.000 0.968 398 D CA 0.712 54.739 54.000 0.045 0.000 0.894 398 D CB 0.120 40.940 40.800 0.032 0.000 0.909 398 D HN 0.163 nan 8.370 nan 0.000 0.520 399 A N 0.411 123.209 122.820 -0.036 0.000 1.911 399 A HA 0.056 4.376 4.320 0.000 0.000 0.212 399 A C 2.139 179.680 177.584 -0.071 0.000 1.189 399 A CA 0.146 52.156 52.037 -0.044 0.000 0.639 399 A CB -0.500 18.472 19.000 -0.046 0.000 0.839 399 A HN 0.226 nan 8.150 nan 0.000 0.449 400 L N -1.062 120.071 121.223 -0.151 0.000 2.027 400 L HA -0.161 4.180 4.340 0.000 0.000 0.206 400 L C 2.601 179.365 176.870 -0.177 0.000 1.074 400 L CA 1.559 56.276 54.840 -0.205 0.000 0.745 400 L CB -0.437 41.432 42.059 -0.316 0.000 0.898 400 L HN 0.463 nan 8.230 nan 0.000 0.433 401 H N -0.181 118.878 119.070 -0.017 0.000 2.353 401 H HA -0.062 4.494 4.556 0.000 0.000 0.300 401 H C 2.245 177.562 175.328 -0.018 0.000 1.090 401 H CA 1.293 57.329 56.048 -0.019 0.000 1.327 401 H CB -0.434 29.316 29.762 -0.019 0.000 1.383 401 H HN 0.528 nan 8.280 nan 0.000 0.508 402 A N 0.581 123.452 122.820 0.085 0.000 1.902 402 A HA -0.165 4.155 4.320 0.000 0.000 0.217 402 A C 2.633 180.226 177.584 0.016 0.000 1.181 402 A CA 2.102 54.160 52.037 0.036 0.000 0.623 402 A CB -0.908 18.103 19.000 0.019 0.000 0.818 402 A HN 0.406 nan 8.150 nan 0.000 0.443 403 T N -0.317 114.237 114.554 -0.000 0.000 2.652 403 T HA -0.164 4.186 4.350 0.000 0.000 0.267 403 T C 2.068 176.768 174.700 0.001 0.000 1.039 403 T CA 1.550 63.645 62.100 -0.009 0.000 1.153 403 T CB -0.272 68.581 68.868 -0.026 0.000 0.863 403 T HN 0.486 nan 8.240 nan 0.000 0.428 404 R N 0.778 121.283 120.500 0.008 0.000 2.103 404 R HA -0.071 4.269 4.340 0.000 0.000 0.242 404 R C 2.756 179.069 176.300 0.022 0.000 1.142 404 R CA 1.445 57.556 56.100 0.019 0.000 0.960 404 R CB -0.492 29.833 30.300 0.040 0.000 0.858 404 R HN 0.392 nan 8.270 nan 0.000 0.439 405 A N 0.928 123.763 122.820 0.025 0.000 1.929 405 A HA -0.030 4.290 4.320 0.000 0.000 0.216 405 A C 2.348 179.939 177.584 0.011 0.000 1.176 405 A CA 1.400 53.447 52.037 0.017 0.000 0.628 405 A CB -0.490 18.519 19.000 0.015 0.000 0.816 405 A HN 0.389 nan 8.150 nan 0.000 0.444 406 A N -0.324 122.501 122.820 0.008 0.000 1.940 406 A HA -0.052 4.269 4.320 0.000 0.000 0.219 406 A C 2.134 179.722 177.584 0.007 0.000 1.176 406 A CA 1.780 53.820 52.037 0.005 0.000 0.631 406 A CB -0.988 18.013 19.000 0.002 0.000 0.814 406 A HN 0.435 nan 8.150 nan 0.000 0.446 407 V N 0.452 120.371 119.914 0.007 0.000 2.546 407 V HA -0.274 3.846 4.120 0.000 0.000 0.254 407 V C 2.144 178.245 176.094 0.011 0.000 1.076 407 V CA 2.171 64.475 62.300 0.008 0.000 1.087 407 V CB -0.881 30.947 31.823 0.008 0.000 0.674 407 V HN 0.650 nan 8.190 nan 0.000 0.470 408 E N -0.697 119.510 120.200 0.013 0.000 2.427 408 E HA -0.106 4.244 4.350 0.000 0.000 0.196 408 E C 1.499 178.109 176.600 0.016 0.000 1.028 408 E CA 0.764 57.174 56.400 0.015 0.000 0.864 408 E CB 0.162 29.872 29.700 0.017 0.000 0.813 408 E HN 0.662 nan 8.360 nan 0.000 0.514 409 E N -1.543 118.665 120.200 0.013 0.000 2.581 409 E HA 0.148 4.498 4.350 0.000 0.000 0.195 409 E C 0.168 176.776 176.600 0.013 0.000 0.936 409 E CA 0.240 56.648 56.400 0.014 0.000 1.387 409 E CB 1.457 31.166 29.700 0.015 0.000 1.424 409 E HN 0.215 nan 8.360 nan 0.000 0.742 410 G N 0.567 109.374 108.800 0.011 0.000 2.545 410 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 410 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 410 G C -0.651 174.254 174.900 0.008 0.000 1.314 410 G CA -0.497 44.609 45.100 0.010 0.000 0.906 410 G HN 0.719 nan 8.290 nan 0.000 0.563 411 V N -2.618 117.301 119.914 0.009 0.000 3.007 411 V HA 0.990 5.110 4.120 0.000 0.000 0.311 411 V C 0.445 176.546 176.094 0.011 0.000 1.120 411 V CA 0.159 62.463 62.300 0.008 0.000 0.980 411 V CB 1.213 33.038 31.823 0.004 0.000 1.033 411 V HN 2.495 nan 8.190 nan 0.000 0.429 412 V N -0.709 119.212 119.914 0.012 0.000 3.182 412 V HA 0.983 5.103 4.120 0.000 0.000 0.308 412 V C 0.464 176.566 176.094 0.014 0.000 1.240 412 V CA -0.634 61.676 62.300 0.017 0.000 1.063 412 V CB 1.525 33.360 31.823 0.020 0.000 1.076 412 V HN 2.071 nan 8.190 nan 0.000 0.446 413 A N 0.822 123.655 122.820 0.021 0.000 2.899 413 A HA 0.511 4.831 4.320 0.000 0.000 0.287 413 A C 1.427 179.020 177.584 0.015 0.000 1.715 413 A CA 0.429 52.477 52.037 0.018 0.000 1.393 413 A CB -1.003 18.017 19.000 0.034 0.000 1.070 413 A HN 1.813 nan 8.150 nan 0.000 0.587 414 G N 1.580 110.384 108.800 0.005 0.000 2.776 414 G HA2 0.118 4.078 3.960 0.000 0.000 0.209 414 G HA3 0.118 4.078 3.960 0.000 0.000 0.209 414 G C 1.008 175.909 174.900 0.003 0.000 1.145 414 G CA 0.617 45.719 45.100 0.004 0.000 0.791 414 G HN 0.925 nan 8.290 nan 0.000 0.530 415 G N -0.058 108.742 108.800 -0.000 0.000 3.352 415 G HA2 0.386 4.346 3.960 0.000 0.000 0.236 415 G HA3 0.386 4.346 3.960 0.000 0.000 0.236 415 G C 1.378 176.294 174.900 0.027 0.000 1.324 415 G CA 0.257 45.359 45.100 0.003 0.000 1.404 415 G HN 1.102 nan 8.290 nan 0.000 0.542 416 G N -0.893 107.923 108.800 0.027 0.000 2.412 416 G HA2 -0.427 3.533 3.960 0.000 0.000 0.252 416 G HA3 -0.427 3.533 3.960 0.000 0.000 0.252 416 G C 1.516 176.443 174.900 0.045 0.000 1.038 416 G CA 0.772 45.893 45.100 0.036 0.000 0.628 416 G HN 0.655 nan 8.290 nan 0.000 0.531 417 V N 1.339 121.286 119.914 0.054 0.000 2.317 417 V HA -0.161 3.959 4.120 0.000 0.000 0.251 417 V C 3.322 179.453 176.094 0.061 0.000 1.065 417 V CA 3.253 65.595 62.300 0.070 0.000 1.049 417 V CB -1.249 30.619 31.823 0.075 0.000 0.651 417 V HN 1.134 nan 8.190 nan 0.000 0.450 418 A N -0.234 122.614 122.820 0.047 0.000 1.877 418 A HA -0.134 4.186 4.320 0.000 0.000 0.216 418 A C 2.130 179.737 177.584 0.039 0.000 1.186 418 A CA 1.681 53.743 52.037 0.042 0.000 0.620 418 A CB -0.458 18.561 19.000 0.033 0.000 0.822 418 A HN 0.408 nan 8.150 nan 0.000 0.443 419 L N 0.029 121.274 121.223 0.037 0.000 2.017 419 L HA -0.159 4.181 4.340 0.000 0.000 0.208 419 L C 2.537 179.429 176.870 0.037 0.000 1.073 419 L CA 1.376 56.236 54.840 0.034 0.000 0.745 419 L CB -1.429 40.649 42.059 0.032 0.000 0.894 419 L HN 0.314 nan 8.230 nan 0.000 0.432 420 I N -0.119 120.477 120.570 0.043 0.000 2.194 420 I HA -0.302 3.868 4.170 0.000 0.000 0.246 420 I C 2.768 178.912 176.117 0.045 0.000 1.093 420 I CA 1.275 62.602 61.300 0.046 0.000 1.355 420 I CB -0.973 37.062 38.000 0.059 0.000 1.046 420 I HN 0.292 nan 8.210 nan 0.000 0.413 421 R N 1.540 122.070 120.500 0.049 0.000 2.066 421 R HA -0.122 4.218 4.340 0.000 0.000 0.232 421 R C 2.337 178.658 176.300 0.035 0.000 1.131 421 R CA 1.960 58.087 56.100 0.046 0.000 0.955 421 R CB -0.730 29.602 30.300 0.053 0.000 0.851 421 R HN 0.358 nan 8.270 nan 0.000 0.432 422 V N -1.447 118.487 119.914 0.033 0.000 2.407 422 V HA -0.045 4.075 4.120 0.000 0.000 0.248 422 V C 2.174 178.282 176.094 0.024 0.000 1.055 422 V CA 1.687 64.004 62.300 0.027 0.000 1.049 422 V CB -1.294 30.545 31.823 0.026 0.000 0.662 422 V HN 0.335 nan 8.190 nan 0.000 0.455 423 A N 1.808 124.644 122.820 0.026 0.000 1.902 423 A HA -0.169 4.151 4.320 0.000 0.000 0.217 423 A C 2.546 180.143 177.584 0.021 0.000 1.181 423 A CA 2.485 54.536 52.037 0.023 0.000 0.623 423 A CB -1.108 17.906 19.000 0.024 0.000 0.818 423 A HN 1.018 nan 8.150 nan 0.000 0.443 424 S N -0.721 114.993 115.700 0.023 0.000 2.547 424 S HA -0.055 4.415 4.470 0.000 0.000 0.235 424 S C 1.547 176.156 174.600 0.016 0.000 0.980 424 S CA 1.256 59.468 58.200 0.020 0.000 0.941 424 S CB -0.148 63.066 63.200 0.024 0.000 0.763 424 S HN 0.639 nan 8.310 nan 0.000 0.532 425 K N 0.740 121.150 120.400 0.017 0.000 2.159 425 K HA 0.221 4.541 4.320 0.000 0.000 0.210 425 K C 1.330 177.937 176.600 0.012 0.000 1.026 425 K CA 0.855 57.150 56.287 0.014 0.000 0.959 425 K CB -0.376 32.133 32.500 0.015 0.000 0.890 425 K HN 0.414 nan 8.250 nan 0.000 0.459 426 L N -0.324 120.907 121.223 0.013 0.000 2.645 426 L HA 0.350 4.690 4.340 0.000 0.000 0.235 426 L C 1.612 178.488 176.870 0.011 0.000 1.150 426 L CA 0.427 55.273 54.840 0.011 0.000 0.911 426 L CB -0.977 41.089 42.059 0.012 0.000 1.077 426 L HN -0.023 nan 8.230 nan 0.000 0.438 427 A N -0.267 122.560 122.820 0.011 0.000 2.076 427 A HA -0.188 4.133 4.320 0.000 0.000 0.220 427 A C 1.782 179.371 177.584 0.008 0.000 1.160 427 A CA 1.732 53.774 52.037 0.010 0.000 0.653 427 A CB -0.540 18.466 19.000 0.010 0.000 0.801 427 A HN 0.519 nan 8.150 nan 0.000 0.455 428 D N -0.801 119.603 120.400 0.007 0.000 2.349 428 D HA 0.078 4.718 4.640 0.000 0.000 0.224 428 D C 0.333 176.636 176.300 0.006 0.000 1.029 428 D CA -0.084 53.919 54.000 0.006 0.000 0.879 428 D CB -0.153 40.650 40.800 0.005 0.000 0.906 428 D HN 0.373 nan 8.370 nan 0.000 0.528 429 L N 2.051 123.278 121.223 0.007 0.000 2.540 429 L HA -0.003 4.337 4.340 0.000 0.000 0.276 429 L C 0.236 177.109 176.870 0.006 0.000 1.212 429 L CA 0.470 55.314 54.840 0.006 0.000 0.893 429 L CB 0.254 42.318 42.059 0.007 0.000 1.138 429 L HN -0.245 nan 8.230 nan 0.000 0.491 430 R N 3.592 124.095 120.500 0.005 0.000 2.720 430 R HA 0.707 5.047 4.340 0.000 0.000 0.272 430 R C -0.065 176.237 176.300 0.004 0.000 0.991 430 R CA -0.346 55.757 56.100 0.004 0.000 1.010 430 R CB 1.381 31.683 30.300 0.003 0.000 1.141 430 R HN 0.847 nan 8.270 nan 0.000 0.494 431 G N 0.020 108.822 108.800 0.004 0.000 2.552 431 G HA2 0.300 4.260 3.960 0.000 0.000 0.324 431 G HA3 0.300 4.260 3.960 0.000 0.000 0.324 431 G C -0.028 174.874 174.900 0.003 0.000 1.217 431 G CA -0.355 44.747 45.100 0.003 0.000 0.989 431 G HN 0.322 nan 8.290 nan 0.000 0.490 432 Q N -0.561 119.241 119.800 0.002 0.000 2.311 432 Q HA 0.081 4.421 4.340 0.000 0.000 0.203 432 Q C 1.068 177.069 176.000 0.002 0.000 0.954 432 Q CA 0.826 56.630 55.803 0.002 0.000 0.885 432 Q CB 0.137 28.875 28.738 0.002 0.000 0.963 432 Q HN 0.677 nan 8.270 nan 0.000 0.471 433 N N -1.260 117.442 118.700 0.002 0.000 2.902 433 N HA -0.004 4.736 4.740 0.000 0.000 0.268 433 N C 0.488 175.999 175.510 0.002 0.000 1.450 433 N CA -0.159 52.892 53.050 0.002 0.000 0.819 433 N CB 0.833 39.321 38.487 0.001 0.000 1.540 433 N HN -0.094 nan 8.380 nan 0.000 0.545 434 E N 0.817 121.018 120.200 0.002 0.000 2.038 434 E HA -0.229 4.121 4.350 0.000 0.000 0.195 434 E C 0.436 177.038 176.600 0.003 0.000 1.000 434 E CA 1.966 58.368 56.400 0.002 0.000 0.803 434 E CB -0.862 28.840 29.700 0.002 0.000 0.750 434 E HN 0.629 nan 8.360 nan 0.000 0.448 435 D N 1.075 121.477 120.400 0.003 0.000 2.116 435 D HA -0.191 4.449 4.640 0.000 0.000 0.193 435 D C 2.073 178.375 176.300 0.004 0.000 0.998 435 D CA 1.651 55.653 54.000 0.003 0.000 0.836 435 D CB -0.317 40.484 40.800 0.003 0.000 0.951 435 D HN 0.176 nan 8.370 nan 0.000 0.449 436 Q N 0.177 119.979 119.800 0.003 0.000 2.123 436 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 436 Q C 1.720 177.723 176.000 0.004 0.000 0.966 436 Q CA 0.770 56.576 55.803 0.004 0.000 0.845 436 Q CB -0.018 28.722 28.738 0.003 0.000 0.907 436 Q HN 0.350 nan 8.270 nan 0.000 0.439 437 N N -0.176 118.526 118.700 0.004 0.000 2.188 437 N HA -0.120 4.620 4.740 0.000 0.000 0.184 437 N C 1.881 177.395 175.510 0.005 0.000 1.018 437 N CA 1.093 54.145 53.050 0.005 0.000 0.858 437 N CB 0.054 38.544 38.487 0.004 0.000 0.989 437 N HN 0.065 nan 8.380 nan 0.000 0.426 438 V N 1.066 120.983 119.914 0.005 0.000 2.407 438 V HA -0.148 3.972 4.120 0.000 0.000 0.248 438 V C 2.496 178.594 176.094 0.007 0.000 1.055 438 V CA 1.906 64.209 62.300 0.006 0.000 1.049 438 V CB -1.102 30.724 31.823 0.005 0.000 0.662 438 V HN 0.323 nan 8.190 nan 0.000 0.455 439 G N 0.112 108.916 108.800 0.007 0.000 2.440 439 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 439 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 439 G C 1.564 176.469 174.900 0.008 0.000 1.154 439 G CA 1.225 46.330 45.100 0.007 0.000 0.767 439 G HN 0.496 nan 8.290 nan 0.000 0.552 440 I N 0.118 120.693 120.570 0.008 0.000 2.142 440 I HA -0.124 4.047 4.170 0.000 0.000 0.240 440 I C 2.738 178.861 176.117 0.009 0.000 1.078 440 I CA 1.271 62.576 61.300 0.009 0.000 1.343 440 I CB -0.103 37.901 38.000 0.008 0.000 1.046 440 I HN -0.000 nan 8.210 nan 0.000 0.405 441 K N 0.359 120.764 120.400 0.009 0.000 2.209 441 K HA -0.078 4.242 4.320 0.000 0.000 0.204 441 K C 1.888 178.494 176.600 0.010 0.000 1.048 441 K CA 0.820 57.112 56.287 0.009 0.000 0.940 441 K CB -0.408 32.096 32.500 0.007 0.000 0.729 441 K HN 0.129 nan 8.250 nan 0.000 0.451 442 V N 0.437 120.357 119.914 0.010 0.000 2.307 442 V HA -0.224 3.896 4.120 0.000 0.000 0.245 442 V C 2.158 178.260 176.094 0.013 0.000 1.045 442 V CA 1.947 64.254 62.300 0.011 0.000 1.024 442 V CB -0.664 31.166 31.823 0.011 0.000 0.651 442 V HN 0.353 nan 8.190 nan 0.000 0.449 443 A N -0.235 122.593 122.820 0.013 0.000 1.908 443 A HA -0.181 4.140 4.320 0.000 0.000 0.218 443 A C 2.220 179.814 177.584 0.017 0.000 1.181 443 A CA 1.877 53.923 52.037 0.015 0.000 0.627 443 A CB -0.591 18.418 19.000 0.015 0.000 0.818 443 A HN 0.489 nan 8.150 nan 0.000 0.445 444 L N -1.270 119.962 121.223 0.015 0.000 1.989 444 L HA -0.228 4.112 4.340 0.000 0.000 0.211 444 L C 2.850 179.730 176.870 0.017 0.000 1.071 444 L CA 2.077 56.926 54.840 0.016 0.000 0.749 444 L CB -0.461 41.606 42.059 0.014 0.000 0.890 444 L HN 0.450 nan 8.230 nan 0.000 0.431 445 R N -0.013 120.496 120.500 0.015 0.000 2.092 445 R HA -0.139 4.201 4.340 0.000 0.000 0.231 445 R C 2.323 178.633 176.300 0.017 0.000 1.119 445 R CA 1.231 57.340 56.100 0.015 0.000 0.970 445 R CB -0.228 30.080 30.300 0.013 0.000 0.864 445 R HN 0.355 nan 8.270 nan 0.000 0.440 446 A N 0.700 123.531 122.820 0.018 0.000 1.978 446 A HA -0.175 4.145 4.320 0.000 0.000 0.220 446 A C 2.085 179.682 177.584 0.022 0.000 1.170 446 A CA 1.509 53.558 52.037 0.019 0.000 0.636 446 A CB -0.444 18.568 19.000 0.020 0.000 0.810 446 A HN 0.369 nan 8.150 nan 0.000 0.448 447 M N -0.531 119.082 119.600 0.023 0.000 2.539 447 M HA -0.125 4.355 4.480 0.000 0.000 0.261 447 M C 1.504 177.820 176.300 0.027 0.000 1.069 447 M CA 0.967 56.282 55.300 0.025 0.000 1.081 447 M CB -0.304 32.312 32.600 0.026 0.000 1.412 447 M HN 0.488 nan 8.290 nan 0.000 0.482 448 E N 0.247 120.462 120.200 0.025 0.000 2.285 448 E HA -0.049 4.301 4.350 0.000 0.000 0.194 448 E C 2.128 178.742 176.600 0.024 0.000 0.997 448 E CA 0.762 57.177 56.400 0.026 0.000 0.845 448 E CB 0.025 29.739 29.700 0.022 0.000 0.782 448 E HN 0.505 nan 8.360 nan 0.000 0.491 449 A N 2.364 125.197 122.820 0.022 0.000 1.908 449 A HA -0.135 4.185 4.320 0.000 0.000 0.218 449 A C -0.308 177.289 177.584 0.021 0.000 1.181 449 A CA 1.224 53.273 52.037 0.020 0.000 0.627 449 A CB -1.398 17.613 19.000 0.019 0.000 0.818 449 A HN 0.138 nan 8.150 nan 0.000 0.445 450 P HA -0.153 nan 4.420 nan 0.000 0.215 450 P C 1.701 179.018 177.300 0.027 0.000 1.157 450 P CA 1.000 64.113 63.100 0.023 0.000 0.868 450 P CB -0.087 31.627 31.700 0.023 0.000 0.788 451 L N -0.244 121.000 121.223 0.034 0.000 2.005 451 L HA -0.104 4.236 4.340 0.000 0.000 0.207 451 L C 2.349 179.241 176.870 0.037 0.000 1.072 451 L CA 1.880 56.746 54.840 0.044 0.000 0.744 451 L CB -0.950 41.140 42.059 0.052 0.000 0.895 451 L HN -0.226 nan 8.230 nan 0.000 0.433 452 R N -0.964 119.552 120.500 0.027 0.000 2.096 452 R HA -0.209 4.131 4.340 0.000 0.000 0.235 452 R C 2.301 178.612 176.300 0.018 0.000 1.127 452 R CA 1.483 57.594 56.100 0.019 0.000 0.968 452 R CB -0.416 29.893 30.300 0.014 0.000 0.861 452 R HN 0.431 nan 8.270 nan 0.000 0.440 453 Q N 1.139 120.951 119.800 0.019 0.000 2.079 453 Q HA -0.068 4.273 4.340 0.000 0.000 0.200 453 Q C 1.864 177.877 176.000 0.021 0.000 0.974 453 Q CA 1.454 57.267 55.803 0.017 0.000 0.840 453 Q CB -0.123 28.624 28.738 0.015 0.000 0.898 453 Q HN 0.325 nan 8.270 nan 0.000 0.430 454 I N -0.717 119.869 120.570 0.027 0.000 2.163 454 I HA -0.272 3.898 4.170 0.000 0.000 0.243 454 I C 1.965 178.111 176.117 0.047 0.000 1.085 454 I CA 0.996 62.316 61.300 0.032 0.000 1.347 454 I CB -0.219 37.802 38.000 0.035 0.000 1.044 454 I HN 0.070 nan 8.210 nan 0.000 0.408 455 V N 0.430 120.378 119.914 0.055 0.000 2.427 455 V HA -0.238 3.882 4.120 0.000 0.000 0.248 455 V C 2.293 178.407 176.094 0.034 0.000 1.051 455 V CA 1.339 63.675 62.300 0.060 0.000 1.048 455 V CB -0.456 31.378 31.823 0.019 0.000 0.666 455 V HN 0.356 nan 8.190 nan 0.000 0.456 456 L N 0.874 122.110 121.223 0.021 0.000 2.056 456 L HA -0.097 4.243 4.340 0.000 0.000 0.207 456 L C 2.162 179.041 176.870 0.017 0.000 1.078 456 L CA 1.877 56.726 54.840 0.015 0.000 0.749 456 L CB -0.893 41.173 42.059 0.011 0.000 0.901 456 L HN 0.291 nan 8.230 nan 0.000 0.433 457 N N -0.933 117.778 118.700 0.018 0.000 2.120 457 N HA -0.162 4.578 4.740 0.000 0.000 0.188 457 N C 1.737 177.256 175.510 0.015 0.000 1.024 457 N CA 1.772 54.831 53.050 0.014 0.000 0.852 457 N CB -0.822 37.672 38.487 0.011 0.000 1.003 457 N HN 0.402 nan 8.380 nan 0.000 0.424 458 C N -0.404 118.912 119.300 0.026 0.000 2.562 458 C HA 0.304 4.764 4.460 0.000 0.000 0.266 458 C C 1.469 176.481 174.990 0.036 0.000 1.382 458 C CA 0.267 59.303 59.018 0.031 0.000 1.742 458 C CB -1.187 26.581 27.740 0.048 0.000 1.812 458 C HN 0.644 nan 8.230 nan 0.000 0.559 459 G N 1.255 110.073 108.800 0.030 0.000 2.171 459 G HA2 -0.136 3.824 3.960 0.000 0.000 0.238 459 G HA3 -0.136 3.824 3.960 0.000 0.000 0.238 459 G C -0.322 174.592 174.900 0.022 0.000 1.039 459 G CA 0.089 45.202 45.100 0.022 0.000 0.759 459 G HN 0.505 nan 8.290 nan 0.000 0.501 460 E N -0.468 119.744 120.200 0.021 0.000 2.412 460 E HA 0.433 4.784 4.350 0.000 0.000 0.255 460 E C -0.335 176.252 176.600 -0.022 0.000 0.933 460 E CA -0.984 55.416 56.400 -0.000 0.000 0.823 460 E CB 0.619 30.315 29.700 -0.007 0.000 1.352 460 E HN 0.159 nan 8.360 nan 0.000 0.406 461 E N 2.244 122.420 120.200 -0.040 0.000 2.104 461 E HA 0.111 4.462 4.350 0.000 0.000 0.278 461 E C -1.827 174.745 176.600 -0.048 0.000 1.127 461 E CA -1.663 54.716 56.400 -0.035 0.000 0.897 461 E CB 0.756 30.439 29.700 -0.028 0.000 1.043 461 E HN 0.082 nan 8.360 nan 0.000 0.410 462 P HA -0.121 nan 4.420 nan 0.000 0.221 462 P C 1.292 178.579 177.300 -0.022 0.000 1.150 462 P CA 0.961 64.046 63.100 -0.025 0.000 0.800 462 P CB 0.309 32.004 31.700 -0.007 0.000 0.787 463 S N -1.660 114.030 115.700 -0.017 0.000 2.406 463 S HA -0.040 4.430 4.470 0.000 0.000 0.224 463 S C 1.945 176.537 174.600 -0.014 0.000 1.030 463 S CA 0.671 58.865 58.200 -0.010 0.000 0.958 463 S CB -1.470 61.726 63.200 -0.006 0.000 0.811 463 S HN -0.074 nan 8.310 nan 0.000 0.489 464 V N 1.977 121.876 119.914 -0.024 0.000 2.343 464 V HA -0.107 4.013 4.120 0.000 0.000 0.247 464 V C 2.666 178.742 176.094 -0.029 0.000 1.051 464 V CA 1.684 63.969 62.300 -0.025 0.000 1.036 464 V CB -0.675 31.131 31.823 -0.029 0.000 0.654 464 V HN 0.473 nan 8.190 nan 0.000 0.451 465 V N 0.201 120.073 119.914 -0.071 0.000 2.453 465 V HA -0.178 3.942 4.120 0.000 0.000 0.247 465 V C 2.668 178.766 176.094 0.005 0.000 1.048 465 V CA 1.651 63.896 62.300 -0.092 0.000 1.049 465 V CB -1.054 30.591 31.823 -0.296 0.000 0.672 465 V HN 0.542 nan 8.190 nan 0.000 0.457 466 A N 0.890 123.713 122.820 0.004 0.000 1.883 466 A HA -0.300 4.020 4.320 0.000 0.000 0.217 466 A C 2.132 179.737 177.584 0.034 0.000 1.186 466 A CA 2.306 54.360 52.037 0.028 0.000 0.624 466 A CB -0.836 18.174 19.000 0.017 0.000 0.822 466 A HN 0.587 nan 8.150 nan 0.000 0.444 467 N N 0.240 118.951 118.700 0.018 0.000 2.036 467 N HA -0.182 4.559 4.740 0.000 0.000 0.195 467 N C 1.897 177.418 175.510 0.018 0.000 1.037 467 N CA 3.200 56.257 53.050 0.012 0.000 0.855 467 N CB -0.801 37.685 38.487 -0.001 0.000 1.033 467 N HN 0.555 nan 8.380 nan 0.000 0.423 468 T N -1.900 112.668 114.554 0.024 0.000 2.746 468 T HA -0.055 4.295 4.350 0.000 0.000 0.267 468 T C 2.144 176.898 174.700 0.090 0.000 1.039 468 T CA 1.603 63.705 62.100 0.003 0.000 1.142 468 T CB -0.915 67.911 68.868 -0.070 0.000 0.866 468 T HN -0.011 nan 8.240 nan 0.000 0.444 469 V N 1.789 121.806 119.914 0.172 0.000 2.427 469 V HA -0.109 4.011 4.120 0.000 0.000 0.248 469 V C 2.786 178.960 176.094 0.133 0.000 1.051 469 V CA 1.665 64.090 62.300 0.209 0.000 1.048 469 V CB -0.632 31.311 31.823 0.200 0.000 0.666 469 V HN 0.492 nan 8.190 nan 0.000 0.456 470 K N 0.452 120.901 120.400 0.083 0.000 2.063 470 K HA -0.152 4.168 4.320 0.000 0.000 0.208 470 K C 2.113 178.735 176.600 0.038 0.000 1.048 470 K CA 1.599 57.917 56.287 0.053 0.000 0.928 470 K CB -0.632 31.888 32.500 0.033 0.000 0.713 470 K HN 0.560 nan 8.250 nan 0.000 0.442 471 G N 0.686 109.501 108.800 0.026 0.000 2.679 471 G HA2 -0.052 3.909 3.960 0.000 0.000 0.212 471 G HA3 -0.052 3.909 3.960 0.000 0.000 0.212 471 G C 0.760 175.647 174.900 -0.022 0.000 1.137 471 G CA 0.474 45.570 45.100 -0.006 0.000 0.787 471 G HN 0.360 nan 8.290 nan 0.000 0.534 472 G N -0.784 108.035 108.800 0.032 0.000 2.486 472 G HA2 0.450 4.410 3.960 0.000 0.000 0.272 472 G HA3 0.450 4.410 3.960 0.000 0.000 0.272 472 G C -0.664 174.220 174.900 -0.026 0.000 1.426 472 G CA -0.233 44.869 45.100 0.003 0.000 1.058 472 G HN 0.185 nan 8.290 nan 0.000 0.531 473 D N -2.568 117.822 120.400 -0.016 0.000 2.622 473 D HA 0.457 5.097 4.640 0.000 0.000 0.255 473 D C 0.741 177.076 176.300 0.059 0.000 1.246 473 D CA 0.549 54.550 54.000 0.001 0.000 0.795 473 D CB 1.698 42.468 40.800 -0.051 0.000 1.369 473 D HN 0.906 nan 8.370 nan 0.000 0.425 474 G N 1.484 110.315 108.800 0.052 0.000 2.627 474 G HA2 -0.343 3.617 3.960 0.000 0.000 0.312 474 G HA3 -0.343 3.617 3.960 0.000 0.000 0.312 474 G C 0.515 175.473 174.900 0.096 0.000 1.299 474 G CA 0.270 45.410 45.100 0.066 0.000 0.989 474 G HN 0.590 nan 8.290 nan 0.000 0.547 475 N N 0.318 119.080 118.700 0.103 0.000 2.362 475 N HA 0.096 4.836 4.740 0.000 0.000 0.204 475 N C 0.144 175.743 175.510 0.150 0.000 1.166 475 N CA 0.198 53.309 53.050 0.102 0.000 0.831 475 N CB 0.110 38.637 38.487 0.066 0.000 1.008 475 N HN 0.483 nan 8.380 nan 0.000 0.472 476 Y N 0.602 120.932 120.300 0.050 0.000 2.359 476 Y HA 0.413 4.963 4.550 0.000 0.000 0.330 476 Y C 0.902 176.866 175.900 0.106 0.000 1.143 476 Y CA 0.207 58.351 58.100 0.072 0.000 1.318 476 Y CB 0.579 39.079 38.460 0.066 0.000 1.234 476 Y HN 0.082 nan 8.280 nan 0.000 0.522 477 G N 3.347 112.119 108.800 -0.047 0.000 2.435 477 G HA2 0.044 4.004 3.960 0.000 0.000 0.296 477 G HA3 0.044 4.004 3.960 0.000 0.000 0.296 477 G C -2.360 172.558 174.900 0.030 0.000 1.240 477 G CA -0.981 44.190 45.100 0.117 0.000 0.872 477 G HN 0.486 nan 8.290 nan 0.000 0.480 478 Y N 2.269 122.516 120.300 -0.089 0.000 2.452 478 Y HA 0.500 5.050 4.550 0.000 0.000 0.348 478 Y C 0.556 176.289 175.900 -0.278 0.000 0.985 478 Y CA -1.378 56.496 58.100 -0.376 0.000 1.214 478 Y CB 0.744 38.977 38.460 -0.379 0.000 1.136 478 Y HN 0.400 nan 8.280 nan 0.000 0.523 479 N N 5.044 123.337 118.700 -0.678 0.000 2.498 479 N HA 0.041 4.781 4.740 0.000 0.000 0.277 479 N C 0.466 175.424 175.510 -0.919 0.000 1.208 479 N CA 0.586 53.276 53.050 -0.600 0.000 1.029 479 N CB 0.466 38.710 38.487 -0.406 0.000 1.403 479 N HN 0.773 nan 8.380 nan 0.000 0.500 480 A N 2.777 125.158 122.820 -0.733 0.000 2.239 480 A HA 0.167 4.488 4.320 0.000 0.000 0.209 480 A C 1.853 179.272 177.584 -0.274 0.000 1.171 480 A CA 0.950 52.678 52.037 -0.516 0.000 0.768 480 A CB -0.261 18.655 19.000 -0.140 0.000 0.790 480 A HN 0.669 nan 8.150 nan 0.000 0.478 481 A N -0.193 122.475 122.820 -0.254 0.000 1.887 481 A HA 0.065 4.385 4.320 0.000 0.000 0.212 481 A C 2.384 179.879 177.584 -0.149 0.000 1.198 481 A CA 1.946 53.888 52.037 -0.158 0.000 0.628 481 A CB -0.992 17.930 19.000 -0.130 0.000 0.847 481 A HN 0.587 nan 8.150 nan 0.000 0.449 482 T N -2.604 111.839 114.554 -0.185 0.000 2.671 482 T HA 0.144 4.495 4.350 0.000 0.000 0.250 482 T C 0.408 175.011 174.700 -0.161 0.000 1.068 482 T CA 1.170 63.180 62.100 -0.149 0.000 1.177 482 T CB -0.228 68.557 68.868 -0.138 0.000 0.876 482 T HN 0.465 nan 8.240 nan 0.000 0.405 483 E N 0.371 120.411 120.200 -0.266 0.000 2.469 483 E HA 0.034 4.385 4.350 0.000 0.000 0.263 483 E C -1.252 175.208 176.600 -0.233 0.000 1.147 483 E CA -0.101 56.136 56.400 -0.272 0.000 0.810 483 E CB -0.770 28.914 29.700 -0.028 0.000 0.907 483 E HN 0.701 nan 8.360 nan 0.000 0.448 484 E N -0.425 119.489 120.200 -0.477 0.000 2.459 484 E HA 0.563 4.913 4.350 0.000 0.000 0.275 484 E C -1.212 175.121 176.600 -0.445 0.000 0.987 484 E CA -0.876 55.371 56.400 -0.256 0.000 0.828 484 E CB 1.666 31.276 29.700 -0.151 0.000 1.428 484 E HN 0.015 nan 8.360 nan 0.000 0.457 485 Y N -0.562 119.709 120.300 -0.048 0.000 2.468 485 Y HA 0.732 5.283 4.550 0.000 0.000 0.342 485 Y C 0.641 176.325 175.900 -0.361 0.000 1.021 485 Y CA -0.113 57.881 58.100 -0.176 0.000 1.079 485 Y CB 2.401 40.833 38.460 -0.046 0.000 1.226 485 Y HN 0.673 nan 8.280 nan 0.000 0.460 486 G N 1.047 109.512 108.800 -0.560 0.000 2.323 486 G HA2 -0.010 3.950 3.960 0.000 0.000 0.291 486 G HA3 -0.010 3.950 3.960 0.000 0.000 0.291 486 G C -1.815 172.843 174.900 -0.403 0.000 1.278 486 G CA -1.233 43.576 45.100 -0.484 0.000 0.860 486 G HN 0.470 nan 8.290 nan 0.000 0.504 487 N N 1.156 119.801 118.700 -0.091 0.000 2.416 487 N HA 0.088 4.828 4.740 0.000 0.000 0.265 487 N C 1.703 177.184 175.510 -0.049 0.000 1.195 487 N CA -0.308 52.740 53.050 -0.004 0.000 0.943 487 N CB 0.713 39.231 38.487 0.053 0.000 1.115 487 N HN 0.374 nan 8.380 nan 0.000 0.481 488 M N 3.811 123.384 119.600 -0.045 0.000 2.296 488 M HA -0.091 4.389 4.480 0.000 0.000 0.265 488 M C 1.565 177.843 176.300 -0.036 0.000 1.064 488 M CA 0.986 56.252 55.300 -0.055 0.000 1.109 488 M CB -0.351 32.228 32.600 -0.034 0.000 1.396 488 M HN 0.583 nan 8.290 nan 0.000 0.430 489 I N -0.271 120.291 120.570 -0.014 0.000 2.333 489 I HA -0.225 3.945 4.170 0.000 0.000 0.246 489 I C 1.872 177.981 176.117 -0.014 0.000 1.106 489 I CA 0.834 62.128 61.300 -0.009 0.000 1.411 489 I CB -0.403 37.599 38.000 0.005 0.000 1.082 489 I HN 0.186 nan 8.210 nan 0.000 0.420 490 D N 0.857 121.250 120.400 -0.011 0.000 2.178 490 D HA -0.115 4.525 4.640 0.000 0.000 0.202 490 D C 2.206 178.490 176.300 -0.027 0.000 0.974 490 D CA 1.327 55.319 54.000 -0.013 0.000 0.841 490 D CB -0.070 40.728 40.800 -0.003 0.000 0.953 490 D HN 0.334 nan 8.370 nan 0.000 0.478 491 M N -0.603 118.971 119.600 -0.043 0.000 2.557 491 M HA 0.044 4.524 4.480 0.000 0.000 0.259 491 M C 1.266 177.530 176.300 -0.060 0.000 1.086 491 M CA 0.903 56.166 55.300 -0.062 0.000 1.096 491 M CB 0.331 32.875 32.600 -0.094 0.000 1.424 491 M HN 0.119 nan 8.290 nan 0.000 0.488 492 G N 0.757 109.529 108.800 -0.047 0.000 2.157 492 G HA2 -0.189 3.771 3.960 0.000 0.000 0.248 492 G HA3 -0.189 3.771 3.960 0.000 0.000 0.248 492 G C 0.170 175.042 174.900 -0.045 0.000 0.979 492 G CA -0.319 44.757 45.100 -0.041 0.000 0.650 492 G HN 0.380 nan 8.290 nan 0.000 0.529 493 I N 1.808 122.345 120.570 -0.055 0.000 3.184 493 I HA 0.356 4.526 4.170 0.000 0.000 0.311 493 I C 0.909 177.004 176.117 -0.037 0.000 1.243 493 I CA -0.383 60.883 61.300 -0.057 0.000 1.393 493 I CB -1.418 36.529 38.000 -0.088 0.000 1.471 493 I HN 0.336 nan 8.210 nan 0.000 0.540 494 L N -0.627 120.580 121.223 -0.026 0.000 2.365 494 L HA 0.812 5.152 4.340 0.000 0.000 0.267 494 L C -0.487 176.377 176.870 -0.011 0.000 1.033 494 L CA -0.353 54.478 54.840 -0.015 0.000 0.802 494 L CB 0.787 42.839 42.059 -0.012 0.000 1.267 494 L HN -0.138 nan 8.230 nan 0.000 0.457 495 D N -0.394 120.003 120.400 -0.005 0.000 2.481 495 D HA 0.514 5.154 4.640 0.000 0.000 0.244 495 D C -2.701 173.599 176.300 -0.001 0.000 1.057 495 D CA -1.418 52.579 54.000 -0.004 0.000 0.848 495 D CB 1.957 42.757 40.800 0.000 0.000 1.388 495 D HN 0.430 nan 8.370 nan 0.000 0.475 496 P HA 0.089 nan 4.420 nan 0.000 0.267 496 P C 0.680 177.982 177.300 0.002 0.000 1.209 496 P CA -0.100 63.001 63.100 -0.000 0.000 0.763 496 P CB 0.543 32.242 31.700 -0.002 0.000 0.816 497 T N 2.322 116.880 114.554 0.007 0.000 2.778 497 T HA -0.212 4.138 4.350 0.000 0.000 0.269 497 T C 1.623 176.329 174.700 0.010 0.000 1.050 497 T CA 1.251 63.358 62.100 0.011 0.000 1.137 497 T CB -0.327 68.550 68.868 0.014 0.000 0.860 497 T HN 0.486 nan 8.240 nan 0.000 0.468 498 K N 0.735 121.139 120.400 0.007 0.000 2.089 498 K HA -0.168 4.152 4.320 0.000 0.000 0.210 498 K C 2.408 179.004 176.600 -0.006 0.000 1.048 498 K CA 1.858 58.147 56.287 0.004 0.000 0.926 498 K CB -0.345 32.156 32.500 0.001 0.000 0.714 498 K HN 0.412 nan 8.250 nan 0.000 0.448 499 V N -1.437 118.469 119.914 -0.013 0.000 2.535 499 V HA -0.108 4.012 4.120 0.000 0.000 0.246 499 V C 1.765 177.849 176.094 -0.017 0.000 1.045 499 V CA 1.958 64.241 62.300 -0.027 0.000 1.058 499 V CB -0.538 31.269 31.823 -0.028 0.000 0.689 499 V HN 0.246 nan 8.190 nan 0.000 0.461 500 T N 0.526 115.080 114.554 -0.001 0.000 2.708 500 T HA -0.166 4.184 4.350 0.000 0.000 0.266 500 T C 2.001 176.713 174.700 0.021 0.000 1.037 500 T CA 2.148 64.254 62.100 0.010 0.000 1.146 500 T CB -0.422 68.454 68.868 0.015 0.000 0.865 500 T HN 0.551 nan 8.240 nan 0.000 0.435 501 R N 0.901 121.416 120.500 0.024 0.000 2.070 501 R HA -0.095 4.245 4.340 0.000 0.000 0.233 501 R C 2.655 178.992 176.300 0.063 0.000 1.137 501 R CA 1.785 57.910 56.100 0.041 0.000 0.945 501 R CB -0.441 29.881 30.300 0.038 0.000 0.845 501 R HN 0.263 nan 8.270 nan 0.000 0.430 502 S N 0.414 116.138 115.700 0.039 0.000 2.368 502 S HA -0.122 4.348 4.470 0.000 0.000 0.225 502 S C 1.968 176.590 174.600 0.036 0.000 1.030 502 S CA 1.137 59.359 58.200 0.036 0.000 0.999 502 S CB -0.204 62.923 63.200 -0.121 0.000 0.844 502 S HN 0.568 nan 8.310 nan 0.000 0.459 503 A N 1.382 124.200 122.820 -0.003 0.000 1.908 503 A HA -0.052 4.268 4.320 0.000 0.000 0.218 503 A C 2.129 179.760 177.584 0.078 0.000 1.181 503 A CA 1.294 53.343 52.037 0.020 0.000 0.627 503 A CB -0.753 18.248 19.000 0.001 0.000 0.818 503 A HN 0.474 nan 8.150 nan 0.000 0.445 504 L N -0.836 120.431 121.223 0.073 0.000 1.994 504 L HA -0.259 4.081 4.340 0.000 0.000 0.208 504 L C 2.855 179.783 176.870 0.096 0.000 1.071 504 L CA 1.924 56.807 54.840 0.072 0.000 0.745 504 L CB -0.423 41.668 42.059 0.054 0.000 0.892 504 L HN 0.496 nan 8.230 nan 0.000 0.431 505 Q N -1.196 118.684 119.800 0.133 0.000 2.050 505 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 505 Q C 2.031 178.108 176.000 0.128 0.000 0.980 505 Q CA 2.245 58.123 55.803 0.126 0.000 0.840 505 Q CB -0.277 28.557 28.738 0.160 0.000 0.898 505 Q HN 0.574 nan 8.270 nan 0.000 0.424 506 Y N -0.086 120.218 120.300 0.007 0.000 2.263 506 Y HA -0.179 4.371 4.550 0.000 0.000 0.292 506 Y C 2.425 178.330 175.900 0.007 0.000 1.130 506 Y CA 0.521 58.625 58.100 0.007 0.000 1.179 506 Y CB -0.130 38.333 38.460 0.006 0.000 0.998 506 Y HN 0.165 nan 8.280 nan 0.000 0.532 507 A N 0.319 123.235 122.820 0.159 0.000 1.883 507 A HA -0.226 4.095 4.320 0.000 0.000 0.217 507 A C 2.400 180.016 177.584 0.053 0.000 1.186 507 A CA 1.947 54.036 52.037 0.087 0.000 0.624 507 A CB -1.262 17.779 19.000 0.069 0.000 0.822 507 A HN 0.422 nan 8.150 nan 0.000 0.444 508 A N -1.066 121.781 122.820 0.044 0.000 1.933 508 A HA -0.093 4.227 4.320 0.000 0.000 0.218 508 A C 2.471 180.055 177.584 -0.001 0.000 1.175 508 A CA 2.177 54.227 52.037 0.020 0.000 0.628 508 A CB -0.956 18.055 19.000 0.019 0.000 0.814 508 A HN 0.530 nan 8.150 nan 0.000 0.444 509 S N -0.970 114.717 115.700 -0.023 0.000 2.343 509 S HA -0.143 4.327 4.470 0.000 0.000 0.219 509 S C 1.958 176.539 174.600 -0.032 0.000 1.033 509 S CA 1.661 59.824 58.200 -0.062 0.000 1.014 509 S CB -0.533 62.569 63.200 -0.162 0.000 0.915 509 S HN 0.460 nan 8.310 nan 0.000 0.435 510 V N 1.620 121.530 119.914 -0.007 0.000 2.515 510 V HA -0.015 4.105 4.120 0.000 0.000 0.250 510 V C 2.456 178.558 176.094 0.014 0.000 1.058 510 V CA 1.861 64.167 62.300 0.010 0.000 1.064 510 V CB -0.887 30.956 31.823 0.034 0.000 0.675 510 V HN 0.568 nan 8.190 nan 0.000 0.461 511 A N -0.008 122.822 122.820 0.016 0.000 1.873 511 A HA -0.001 4.319 4.320 0.000 0.000 0.215 511 A C 2.380 179.970 177.584 0.010 0.000 1.186 511 A CA 1.710 53.757 52.037 0.015 0.000 0.616 511 A CB -1.386 17.625 19.000 0.018 0.000 0.823 511 A HN 0.606 nan 8.150 nan 0.000 0.442 512 G N -0.359 108.444 108.800 0.004 0.000 2.442 512 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 512 G HA3 -0.097 3.863 3.960 0.000 0.000 0.219 512 G C 1.384 176.285 174.900 0.001 0.000 1.141 512 G CA 1.234 46.334 45.100 0.000 0.000 0.763 512 G HN 0.326 nan 8.290 nan 0.000 0.554 513 L N 0.343 121.566 121.223 -0.001 0.000 1.961 513 L HA 0.075 4.415 4.340 0.000 0.000 0.210 513 L C 3.088 179.966 176.870 0.013 0.000 1.072 513 L CA 1.545 56.387 54.840 0.004 0.000 0.749 513 L CB -0.778 41.280 42.059 -0.001 0.000 0.889 513 L HN 0.183 nan 8.230 nan 0.000 0.432 514 M N -1.410 118.200 119.600 0.016 0.000 2.267 514 M HA -0.230 4.250 4.480 0.000 0.000 0.263 514 M C 2.248 178.561 176.300 0.022 0.000 1.063 514 M CA 1.594 56.908 55.300 0.022 0.000 1.090 514 M CB -0.412 32.202 32.600 0.023 0.000 1.392 514 M HN 0.235 nan 8.290 nan 0.000 0.422 515 I N -0.211 120.370 120.570 0.017 0.000 2.202 515 I HA -0.246 3.924 4.170 0.000 0.000 0.242 515 I C 2.473 178.601 176.117 0.018 0.000 1.091 515 I CA 1.805 63.115 61.300 0.016 0.000 1.368 515 I CB -0.413 37.595 38.000 0.013 0.000 1.058 515 I HN 0.396 nan 8.210 nan 0.000 0.410 516 T N -3.658 110.907 114.554 0.017 0.000 3.065 516 T HA 0.075 4.425 4.350 0.000 0.000 0.252 516 T C 0.937 175.652 174.700 0.025 0.000 1.099 516 T CA -0.057 62.053 62.100 0.018 0.000 1.063 516 T CB -0.495 68.380 68.868 0.012 0.000 0.948 516 T HN 0.013 nan 8.240 nan 0.000 0.506 517 T N 3.338 117.910 114.554 0.030 0.000 2.817 517 T HA 0.108 4.458 4.350 0.000 0.000 0.295 517 T C 0.733 175.467 174.700 0.056 0.000 0.958 517 T CA -0.009 62.116 62.100 0.042 0.000 1.157 517 T CB 0.697 69.590 68.868 0.041 0.000 0.898 517 T HN 0.266 nan 8.240 nan 0.000 0.536 518 E N 0.793 121.037 120.200 0.073 0.000 2.498 518 E HA 0.175 4.525 4.350 0.000 0.000 0.203 518 E C 0.245 176.951 176.600 0.176 0.000 1.013 518 E CA 0.025 56.487 56.400 0.103 0.000 0.927 518 E CB 0.604 30.354 29.700 0.083 0.000 1.012 518 E HN 0.519 nan 8.360 nan 0.000 0.482 519 C N 0.619 120.012 119.300 0.155 0.000 2.985 519 C HA 0.640 5.100 4.460 0.000 0.000 0.332 519 C C -1.496 173.554 174.990 0.100 0.000 1.164 519 C CA -0.572 58.552 59.018 0.177 0.000 1.347 519 C CB 0.622 28.531 27.740 0.282 0.000 1.764 519 C HN 0.126 nan 8.230 nan 0.000 0.489 520 M N 4.730 124.377 119.600 0.078 0.000 2.446 520 M HA 0.690 5.170 4.480 0.000 0.000 0.294 520 M C -1.226 175.132 176.300 0.096 0.000 1.158 520 M CA -0.624 54.744 55.300 0.114 0.000 0.899 520 M CB 2.233 34.991 32.600 0.263 0.000 1.687 520 M HN 0.388 nan 8.290 nan 0.000 0.455 521 V N 0.681 120.580 119.914 -0.025 0.000 2.760 521 V HA 0.807 4.927 4.120 0.000 0.000 0.309 521 V C -0.620 175.326 176.094 -0.247 0.000 1.077 521 V CA -0.541 61.704 62.300 -0.092 0.000 0.910 521 V CB 2.178 33.975 31.823 -0.043 0.000 1.008 521 V HN 0.933 nan 8.190 nan 0.000 0.424 522 T N 1.551 115.905 114.554 -0.334 0.000 2.982 522 T HA 0.437 4.787 4.350 0.000 0.000 0.321 522 T C -1.021 173.543 174.700 -0.225 0.000 1.229 522 T CA -0.554 61.323 62.100 -0.372 0.000 1.044 522 T CB 1.567 70.020 68.868 -0.692 0.000 1.184 522 T HN 0.711 nan 8.240 nan 0.000 0.477 523 D N 2.453 122.760 120.400 -0.156 0.000 2.400 523 D HA 0.355 4.995 4.640 0.000 0.000 0.238 523 D C 0.362 176.608 176.300 -0.090 0.000 1.157 523 D CA 0.212 54.154 54.000 -0.097 0.000 0.889 523 D CB 0.508 41.264 40.800 -0.073 0.000 1.199 523 D HN 0.410 nan 8.370 nan 0.000 0.436 524 L N 1.550 122.743 121.223 -0.051 0.000 2.454 524 L HA 0.785 5.125 4.340 0.000 0.000 0.256 524 L C -0.949 175.907 176.870 -0.023 0.000 1.136 524 L CA -0.593 54.230 54.840 -0.028 0.000 0.804 524 L CB 0.256 42.309 42.059 -0.011 0.000 1.181 524 L HN 0.592 nan 8.230 nan 0.000 0.469 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726