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_I 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 0.000 177.566 177.584 -0.029 0.000 1.274 3 A CA 0.000 52.025 52.037 -0.021 0.000 0.836 3 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 4 K N 1.383 121.770 120.400 -0.021 0.000 2.156 4 K HA 0.680 5.000 4.320 0.001 0.000 0.254 4 K C -0.894 175.701 176.600 -0.008 0.000 0.950 4 K CA -0.441 55.828 56.287 -0.030 0.000 0.849 4 K CB 2.204 34.690 32.500 -0.024 0.000 1.100 4 K HN 0.833 nan 8.250 nan 0.000 0.434 5 D N 0.107 120.500 120.400 -0.013 0.000 2.414 5 D HA 0.592 5.233 4.640 0.001 0.000 0.241 5 D C -1.278 175.043 176.300 0.034 0.000 1.008 5 D CA -0.733 53.293 54.000 0.043 0.000 1.001 5 D CB 1.496 42.357 40.800 0.102 0.000 1.277 5 D HN 0.101 nan 8.370 nan 0.000 0.538 6 V N 1.233 121.172 119.914 0.041 0.000 2.808 6 V HA 0.499 4.619 4.120 0.001 0.000 0.308 6 V C -0.624 175.296 176.094 -0.289 0.000 1.099 6 V CA -0.904 61.310 62.300 -0.143 0.000 0.920 6 V CB 2.033 33.712 31.823 -0.240 0.000 1.014 6 V HN 0.491 nan 8.190 nan 0.000 0.425 7 K N 3.228 123.364 120.400 -0.439 0.000 2.422 7 K HA 0.792 5.113 4.320 0.001 0.000 0.251 7 K C -1.734 174.511 176.600 -0.591 0.000 0.933 7 K CA -0.510 55.507 56.287 -0.450 0.000 0.798 7 K CB 2.727 35.021 32.500 -0.343 0.000 1.238 7 K HN 0.472 nan 8.250 nan 0.000 0.428 8 F N -0.265 119.682 119.950 -0.005 0.000 2.598 8 F HA 0.467 4.994 4.527 0.000 0.000 0.327 8 F C 1.370 177.162 175.800 -0.012 0.000 1.057 8 F CA -0.003 57.999 58.000 0.003 0.000 0.957 8 F CB 1.586 40.590 39.000 0.006 0.000 1.278 8 F HN 0.812 nan 8.300 nan 0.000 0.484 9 G N 1.686 110.603 108.800 0.194 0.000 2.672 9 G HA2 -0.540 3.420 3.960 0.001 0.000 0.332 9 G HA3 -0.540 3.420 3.960 0.001 0.000 0.332 9 G C 1.138 176.071 174.900 0.054 0.000 1.213 9 G CA 1.387 46.551 45.100 0.106 0.000 0.980 9 G HN 0.918 nan 8.290 nan 0.000 0.548 10 N N 1.098 119.822 118.700 0.040 0.000 2.021 10 N HA -0.122 4.619 4.740 0.001 0.000 0.198 10 N C 1.785 177.289 175.510 -0.011 0.000 1.041 10 N CA 2.955 56.012 53.050 0.012 0.000 0.862 10 N CB -0.497 37.996 38.487 0.010 0.000 1.048 10 N HN 0.617 nan 8.380 nan 0.000 0.427 11 D N -0.508 119.878 120.400 -0.022 0.000 2.144 11 D HA -0.001 4.639 4.640 0.001 0.000 0.200 11 D C 1.938 178.163 176.300 -0.126 0.000 0.978 11 D CA 1.344 55.291 54.000 -0.090 0.000 0.833 11 D CB -0.472 40.263 40.800 -0.108 0.000 0.961 11 D HN 0.493 nan 8.370 nan 0.000 0.470 12 A N 0.895 123.668 122.820 -0.079 0.000 1.883 12 A HA -0.219 4.101 4.320 0.001 0.000 0.217 12 A C 2.125 179.692 177.584 -0.027 0.000 1.186 12 A CA 1.448 53.452 52.037 -0.055 0.000 0.624 12 A CB -0.442 18.551 19.000 -0.012 0.000 0.822 12 A HN 0.097 nan 8.150 nan 0.000 0.444 13 R N -0.872 119.621 120.500 -0.012 0.000 2.092 13 R HA -0.043 4.298 4.340 0.001 0.000 0.231 13 R C 2.041 178.332 176.300 -0.015 0.000 1.119 13 R CA 1.282 57.380 56.100 -0.004 0.000 0.970 13 R CB -0.545 29.759 30.300 0.006 0.000 0.864 13 R HN 0.392 nan 8.270 nan 0.000 0.440 14 V N 1.633 121.528 119.914 -0.031 0.000 2.407 14 V HA -0.254 3.867 4.120 0.001 0.000 0.248 14 V C 2.276 178.343 176.094 -0.045 0.000 1.055 14 V CA 1.636 63.913 62.300 -0.039 0.000 1.049 14 V CB -0.342 31.450 31.823 -0.052 0.000 0.662 14 V HN 0.213 nan 8.190 nan 0.000 0.455 15 K N -0.522 119.837 120.400 -0.068 0.000 2.025 15 K HA -0.026 4.294 4.320 0.001 0.000 0.207 15 K C 2.123 178.727 176.600 0.006 0.000 1.049 15 K CA 1.502 57.760 56.287 -0.048 0.000 0.933 15 K CB -0.480 31.958 32.500 -0.102 0.000 0.714 15 K HN 0.420 nan 8.250 nan 0.000 0.438 16 M N 0.435 120.041 119.600 0.011 0.000 2.108 16 M HA -0.198 4.282 4.480 0.001 0.000 0.261 16 M C 2.226 178.534 176.300 0.013 0.000 1.066 16 M CA 1.157 56.469 55.300 0.020 0.000 1.107 16 M CB -0.445 32.167 32.600 0.020 0.000 1.356 16 M HN 0.029 nan 8.290 nan 0.000 0.406 17 L N 0.762 121.988 121.223 0.005 0.000 1.971 17 L HA -0.238 4.102 4.340 0.001 0.000 0.215 17 L C 2.435 179.307 176.870 0.004 0.000 1.072 17 L CA 2.034 56.876 54.840 0.003 0.000 0.758 17 L CB -0.600 41.458 42.059 -0.002 0.000 0.889 17 L HN 0.163 nan 8.230 nan 0.000 0.433 18 R N -0.631 119.870 120.500 0.001 0.000 2.091 18 R HA -0.130 4.210 4.340 0.001 0.000 0.238 18 R C 2.229 178.535 176.300 0.010 0.000 1.136 18 R CA 1.259 57.361 56.100 0.003 0.000 0.959 18 R CB -1.108 29.192 30.300 0.000 0.000 0.856 18 R HN 0.625 nan 8.270 nan 0.000 0.437 19 G N 0.389 109.198 108.800 0.016 0.000 2.440 19 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 19 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 19 G C 1.423 176.330 174.900 0.012 0.000 1.154 19 G CA 0.792 45.903 45.100 0.019 0.000 0.767 19 G HN 0.261 nan 8.290 nan 0.000 0.552 20 V N 0.937 120.857 119.914 0.011 0.000 2.307 20 V HA -0.140 3.981 4.120 0.001 0.000 0.245 20 V C 2.417 178.514 176.094 0.006 0.000 1.045 20 V CA 2.621 64.925 62.300 0.008 0.000 1.024 20 V CB -0.586 31.244 31.823 0.010 0.000 0.651 20 V HN 0.472 nan 8.190 nan 0.000 0.449 21 N N -0.480 118.224 118.700 0.006 0.000 2.120 21 N HA -0.139 4.601 4.740 0.001 0.000 0.188 21 N C 1.669 177.181 175.510 0.003 0.000 1.024 21 N CA 1.526 54.579 53.050 0.004 0.000 0.852 21 N CB -0.163 38.326 38.487 0.004 0.000 1.003 21 N HN 0.397 nan 8.380 nan 0.000 0.424 22 V N 1.411 121.328 119.914 0.004 0.000 2.515 22 V HA -0.147 3.973 4.120 0.001 0.000 0.250 22 V C 2.088 178.183 176.094 0.001 0.000 1.058 22 V CA 1.052 63.354 62.300 0.003 0.000 1.064 22 V CB -0.461 31.365 31.823 0.004 0.000 0.675 22 V HN 0.408 nan 8.190 nan 0.000 0.461 23 L N 0.571 121.794 121.223 0.001 0.000 2.007 23 L HA -0.026 4.315 4.340 0.001 0.000 0.205 23 L C 2.516 179.385 176.870 -0.002 0.000 1.073 23 L CA 2.643 57.482 54.840 -0.002 0.000 0.744 23 L CB -1.266 40.791 42.059 -0.004 0.000 0.898 23 L HN 0.308 nan 8.230 nan 0.000 0.435 24 A N -0.435 122.385 122.820 0.000 0.000 1.873 24 A HA -0.265 4.056 4.320 0.001 0.000 0.215 24 A C 1.998 179.583 177.584 0.002 0.000 1.186 24 A CA 1.831 53.869 52.037 0.002 0.000 0.616 24 A CB -0.893 18.109 19.000 0.004 0.000 0.823 24 A HN 0.517 nan 8.150 nan 0.000 0.442 25 D N -0.899 119.502 120.400 0.003 0.000 2.310 25 D HA 0.130 4.770 4.640 0.001 0.000 0.212 25 D C 1.824 178.125 176.300 0.002 0.000 0.965 25 D CA 1.012 55.014 54.000 0.003 0.000 0.879 25 D CB -0.001 40.801 40.800 0.003 0.000 0.921 25 D HN 0.389 nan 8.370 nan 0.000 0.510 26 A N -0.488 122.332 122.820 0.001 0.000 1.843 26 A HA -0.013 4.308 4.320 0.001 0.000 0.213 26 A C 2.240 179.824 177.584 -0.001 0.000 1.239 26 A CA 0.773 52.810 52.037 -0.000 0.000 0.606 26 A CB -0.978 18.021 19.000 -0.002 0.000 0.903 26 A HN 0.147 nan 8.150 nan 0.000 0.455 27 V N 1.868 121.781 119.914 -0.002 0.000 2.688 27 V HA -0.270 3.851 4.120 0.001 0.000 0.256 27 V C 2.523 178.616 176.094 -0.001 0.000 1.084 27 V CA 2.638 64.936 62.300 -0.003 0.000 1.103 27 V CB -0.863 30.957 31.823 -0.005 0.000 0.688 27 V HN 0.809 nan 8.190 nan 0.000 0.480 28 K N 0.587 120.988 120.400 0.002 0.000 2.218 28 K HA -0.159 4.162 4.320 0.001 0.000 0.205 28 K C 1.750 178.352 176.600 0.004 0.000 1.046 28 K CA 2.044 58.333 56.287 0.004 0.000 0.933 28 K CB -0.975 31.528 32.500 0.006 0.000 0.728 28 K HN 0.542 nan 8.250 nan 0.000 0.454 29 V N 0.241 120.157 119.914 0.003 0.000 3.078 29 V HA -0.141 3.979 4.120 0.001 0.000 0.265 29 V C 2.228 178.323 176.094 0.002 0.000 1.122 29 V CA 1.773 64.075 62.300 0.003 0.000 1.141 29 V CB -1.086 30.739 31.823 0.002 0.000 0.735 29 V HN 0.578 nan 8.190 nan 0.000 0.498 30 T N -2.240 112.314 114.554 0.001 0.000 3.055 30 T HA 0.035 4.385 4.350 0.001 0.000 0.265 30 T C 1.658 176.358 174.700 -0.000 0.000 1.111 30 T CA 1.109 63.208 62.100 -0.001 0.000 1.118 30 T CB -0.203 68.663 68.868 -0.002 0.000 0.909 30 T HN 0.423 nan 8.240 nan 0.000 0.501 31 L N 2.062 123.286 121.223 0.002 0.000 2.465 31 L HA 0.398 4.738 4.340 0.001 0.000 0.224 31 L C 1.316 178.187 176.870 0.002 0.000 1.145 31 L CA 0.132 54.974 54.840 0.003 0.000 0.834 31 L CB -0.954 41.109 42.059 0.007 0.000 0.944 31 L HN 0.399 nan 8.230 nan 0.000 0.451 32 G N -0.426 108.375 108.800 0.002 0.000 2.403 32 G HA2 0.306 4.266 3.960 0.001 0.000 0.259 32 G HA3 0.306 4.266 3.960 0.001 0.000 0.259 32 G C -1.652 173.243 174.900 -0.010 0.000 1.244 32 G CA -0.564 44.537 45.100 0.000 0.000 0.849 32 G HN 0.187 nan 8.290 nan 0.000 0.532 33 P HA -0.009 nan 4.420 nan 0.000 0.223 33 P C 0.371 177.654 177.300 -0.030 0.000 1.151 33 P CA 0.961 64.042 63.100 -0.032 0.000 0.787 33 P CB 0.469 32.137 31.700 -0.053 0.000 0.788 34 K N 0.861 121.247 120.400 -0.024 0.000 2.526 34 K HA 0.413 4.733 4.320 0.001 0.000 0.214 34 K C 0.829 177.425 176.600 -0.008 0.000 1.088 34 K CA -0.432 55.845 56.287 -0.017 0.000 1.058 34 K CB 1.048 33.536 32.500 -0.019 0.000 1.653 34 K HN -0.004 nan 8.250 nan 0.000 0.521 35 G N 1.173 109.969 108.800 -0.007 0.000 2.535 35 G HA2 0.324 4.284 3.960 0.001 0.000 0.282 35 G HA3 0.324 4.284 3.960 0.001 0.000 0.282 35 G C -0.089 174.810 174.900 -0.002 0.000 1.350 35 G CA -0.496 44.602 45.100 -0.003 0.000 1.039 35 G HN 0.253 nan 8.290 nan 0.000 0.509 36 R N -0.438 120.062 120.500 -0.000 0.000 2.873 36 R HA 0.392 4.733 4.340 0.001 0.000 0.264 36 R C -0.373 175.927 176.300 -0.001 0.000 1.026 36 R CA -0.894 55.206 56.100 -0.000 0.000 1.002 36 R CB 1.126 31.427 30.300 0.001 0.000 1.174 36 R HN 0.704 nan 8.270 nan 0.000 0.488 37 N N -0.014 118.686 118.700 -0.001 0.000 2.443 37 N HA 0.546 5.286 4.740 0.001 0.000 0.293 37 N C -0.752 174.757 175.510 -0.001 0.000 1.159 37 N CA -0.678 52.371 53.050 -0.001 0.000 0.904 37 N CB 2.089 40.575 38.487 -0.001 0.000 1.214 37 N HN 0.078 nan 8.380 nan 0.000 0.513 38 V N 0.681 120.594 119.914 -0.002 0.000 2.841 38 V HA 0.360 4.480 4.120 0.001 0.000 0.310 38 V C -0.321 175.771 176.094 -0.002 0.000 1.090 38 V CA -0.856 61.443 62.300 -0.002 0.000 0.930 38 V CB 2.333 34.154 31.823 -0.003 0.000 1.014 38 V HN 0.414 nan 8.190 nan 0.000 0.425 39 V N 4.826 124.739 119.914 -0.003 0.000 2.483 39 V HA 0.549 4.670 4.120 0.001 0.000 0.295 39 V C -0.648 175.444 176.094 -0.004 0.000 1.035 39 V CA -0.676 61.622 62.300 -0.003 0.000 0.896 39 V CB 1.637 33.458 31.823 -0.003 0.000 0.986 39 V HN 0.497 nan 8.190 nan 0.000 0.447 40 L N 3.133 124.353 121.223 -0.004 0.000 2.341 40 L HA 0.545 4.886 4.340 0.001 0.000 0.278 40 L C 0.043 176.909 176.870 -0.006 0.000 1.005 40 L CA -0.173 54.663 54.840 -0.006 0.000 0.818 40 L CB 1.326 43.382 42.059 -0.004 0.000 1.259 40 L HN 0.705 nan 8.230 nan 0.000 0.418 41 D N 2.530 122.924 120.400 -0.011 0.000 2.325 41 D HA 0.361 5.001 4.640 0.001 0.000 0.262 41 D C -0.456 175.835 176.300 -0.014 0.000 1.263 41 D CA 0.234 54.226 54.000 -0.014 0.000 1.020 41 D CB 0.855 41.642 40.800 -0.022 0.000 1.117 41 D HN 0.462 nan 8.370 nan 0.000 0.545 42 K N -1.339 119.047 120.400 -0.024 0.000 2.580 42 K HA 0.186 4.507 4.320 0.001 0.000 0.258 42 K C 0.296 176.852 176.600 -0.074 0.000 0.936 42 K CA -0.373 55.899 56.287 -0.026 0.000 0.852 42 K CB 1.347 33.854 32.500 0.012 0.000 1.329 42 K HN 0.277 nan 8.250 nan 0.000 0.430 43 S N 1.987 117.604 115.700 -0.137 0.000 2.370 43 S HA -0.042 4.429 4.470 0.001 0.000 0.226 43 S C 0.240 174.512 174.600 -0.547 0.000 1.033 43 S CA 1.136 59.125 58.200 -0.352 0.000 1.011 43 S CB -0.171 62.782 63.200 -0.412 0.000 0.852 43 S HN 0.403 nan 8.310 nan 0.000 0.457 44 F N 0.073 120.022 119.950 -0.003 0.000 2.551 44 F HA 0.613 5.141 4.527 0.002 0.000 0.316 44 F C 0.892 176.691 175.800 -0.003 0.000 1.089 44 F CA -0.178 57.821 58.000 -0.002 0.000 0.915 44 F CB 1.882 40.881 39.000 -0.002 0.000 1.186 44 F HN 0.326 nan 8.300 nan 0.000 0.456 45 G N 1.173 110.088 108.800 0.192 0.000 2.568 45 G HA2 0.160 4.120 3.960 0.001 0.000 0.222 45 G HA3 0.160 4.120 3.960 0.001 0.000 0.222 45 G C -0.845 174.092 174.900 0.061 0.000 1.321 45 G CA -0.579 44.583 45.100 0.105 0.000 0.893 45 G HN 1.170 nan 8.290 nan 0.000 0.569 46 A N 1.639 124.485 122.820 0.043 0.000 2.322 46 A HA 0.800 5.120 4.320 0.001 0.000 0.269 46 A C -1.049 176.547 177.584 0.020 0.000 1.094 46 A CA -0.169 51.883 52.037 0.026 0.000 0.807 46 A CB 0.281 19.293 19.000 0.021 0.000 1.047 46 A HN 0.891 nan 8.150 nan 0.000 0.487 47 P HA 0.282 nan 4.420 nan 0.000 0.272 47 P C -0.556 176.748 177.300 0.007 0.000 1.240 47 P CA 0.081 63.184 63.100 0.006 0.000 0.791 47 P CB 0.641 32.342 31.700 0.002 0.000 0.978 48 T N 1.383 115.939 114.554 0.004 0.000 2.841 48 T HA 0.519 4.870 4.350 0.001 0.000 0.285 48 T C 0.131 174.831 174.700 0.001 0.000 0.991 48 T CA -0.368 61.734 62.100 0.004 0.000 0.966 48 T CB 0.509 69.380 68.868 0.004 0.000 0.962 48 T HN 0.199 nan 8.240 nan 0.000 0.438 49 I N 2.490 123.061 120.570 0.001 0.000 2.331 49 I HA 0.498 4.668 4.170 0.001 0.000 0.292 49 I C 0.556 176.673 176.117 -0.000 0.000 0.998 49 I CA -0.460 60.840 61.300 -0.000 0.000 1.267 49 I CB 1.568 39.568 38.000 0.000 0.000 1.386 49 I HN 0.467 nan 8.210 nan 0.000 0.476 50 T N 4.322 118.876 114.554 -0.001 0.000 2.907 50 T HA 0.384 4.735 4.350 0.001 0.000 0.292 50 T C 0.409 175.108 174.700 -0.002 0.000 1.043 50 T CA -0.599 61.500 62.100 -0.002 0.000 1.003 50 T CB 1.602 70.469 68.868 -0.002 0.000 1.084 50 T HN 0.637 nan 8.240 nan 0.000 0.483 51 K N 1.140 121.538 120.400 -0.002 0.000 2.353 51 K HA 0.178 4.498 4.320 0.001 0.000 0.195 51 K C -0.226 176.372 176.600 -0.003 0.000 1.031 51 K CA -0.143 56.143 56.287 -0.003 0.000 1.079 51 K CB 0.383 32.881 32.500 -0.003 0.000 0.857 51 K HN 0.519 nan 8.250 nan 0.000 0.535 52 D N -0.381 120.017 120.400 -0.003 0.000 2.225 52 D HA 0.096 4.737 4.640 0.001 0.000 0.248 52 D C 1.092 177.389 176.300 -0.005 0.000 1.096 52 D CA -0.284 53.714 54.000 -0.004 0.000 0.863 52 D CB 1.560 42.358 40.800 -0.003 0.000 1.156 52 D HN 0.071 nan 8.370 nan 0.000 0.450 53 G N 2.196 110.993 108.800 -0.006 0.000 2.448 53 G HA2 -0.150 3.811 3.960 0.001 0.000 0.218 53 G HA3 -0.150 3.811 3.960 0.001 0.000 0.218 53 G C 1.382 176.276 174.900 -0.011 0.000 1.135 53 G CA 0.579 45.675 45.100 -0.007 0.000 0.784 53 G HN 0.467 nan 8.290 nan 0.000 0.543 54 V N 1.104 121.011 119.914 -0.011 0.000 2.358 54 V HA -0.161 3.959 4.120 0.001 0.000 0.246 54 V C 3.062 179.148 176.094 -0.013 0.000 1.047 54 V CA 2.091 64.382 62.300 -0.015 0.000 1.035 54 V CB -0.535 31.280 31.823 -0.014 0.000 0.658 54 V HN 0.344 nan 8.190 nan 0.000 0.452 55 S N 0.164 115.858 115.700 -0.010 0.000 2.353 55 S HA -0.194 4.276 4.470 0.001 0.000 0.222 55 S C 2.058 176.653 174.600 -0.009 0.000 1.035 55 S CA 1.685 59.880 58.200 -0.008 0.000 1.025 55 S CB -0.365 62.832 63.200 -0.005 0.000 0.902 55 S HN 0.364 nan 8.310 nan 0.000 0.440 56 V N 2.072 121.981 119.914 -0.008 0.000 2.287 56 V HA -0.234 3.886 4.120 0.001 0.000 0.248 56 V C 2.662 178.749 176.094 -0.010 0.000 1.053 56 V CA 1.779 64.074 62.300 -0.008 0.000 1.027 56 V CB -1.279 30.540 31.823 -0.007 0.000 0.646 56 V HN 0.551 nan 8.190 nan 0.000 0.447 57 A N -0.315 122.498 122.820 -0.013 0.000 1.883 57 A HA -0.271 4.050 4.320 0.001 0.000 0.217 57 A C 2.429 180.003 177.584 -0.017 0.000 1.186 57 A CA 2.105 54.132 52.037 -0.016 0.000 0.624 57 A CB -0.614 18.374 19.000 -0.021 0.000 0.822 57 A HN 0.448 nan 8.150 nan 0.000 0.444 58 R N -0.939 119.551 120.500 -0.017 0.000 2.120 58 R HA -0.158 4.183 4.340 0.001 0.000 0.234 58 R C 1.881 178.172 176.300 -0.015 0.000 1.123 58 R CA 1.745 57.834 56.100 -0.018 0.000 0.975 58 R CB -0.077 30.212 30.300 -0.017 0.000 0.866 58 R HN 0.505 nan 8.270 nan 0.000 0.446 59 E N -0.115 120.077 120.200 -0.013 0.000 2.400 59 E HA 0.070 4.421 4.350 0.001 0.000 0.195 59 E C -0.004 176.589 176.600 -0.012 0.000 1.012 59 E CA 0.023 56.416 56.400 -0.012 0.000 0.875 59 E CB 0.234 29.929 29.700 -0.010 0.000 0.859 59 E HN 0.103 nan 8.360 nan 0.000 0.498 60 I N 2.283 122.846 120.570 -0.011 0.000 2.618 60 I HA 0.089 4.260 4.170 0.001 0.000 0.284 60 I C 0.216 176.327 176.117 -0.011 0.000 1.146 60 I CA 0.709 62.003 61.300 -0.010 0.000 1.425 60 I CB 0.367 38.361 38.000 -0.009 0.000 1.383 60 I HN 0.184 nan 8.210 nan 0.000 0.562 61 E N 7.731 127.925 120.200 -0.010 0.000 2.651 61 E HA 0.205 4.555 4.350 0.001 0.000 0.360 61 E C -1.977 174.618 176.600 -0.009 0.000 0.932 61 E CA -0.405 55.988 56.400 -0.011 0.000 0.761 61 E CB 0.751 30.442 29.700 -0.014 0.000 1.462 61 E HN 0.458 nan 8.360 nan 0.000 0.392 62 L N 2.986 124.206 121.223 -0.005 0.000 2.439 62 L HA 0.356 4.696 4.340 0.001 0.000 0.259 62 L C 1.865 178.735 176.870 -0.000 0.000 1.129 62 L CA -0.358 54.482 54.840 0.000 0.000 0.803 62 L CB 0.875 42.940 42.059 0.009 0.000 1.161 62 L HN 0.680 nan 8.230 nan 0.000 0.462 63 E N 0.514 120.716 120.200 0.003 0.000 2.072 63 E HA -0.184 4.166 4.350 0.001 0.000 0.191 63 E C 0.472 177.079 176.600 0.012 0.000 0.985 63 E CA 0.663 57.065 56.400 0.003 0.000 0.801 63 E CB 0.251 29.953 29.700 0.004 0.000 0.750 63 E HN 0.640 nan 8.360 nan 0.000 0.452 64 D N 0.223 120.640 120.400 0.029 0.000 2.348 64 D HA -0.034 4.606 4.640 0.001 0.000 0.253 64 D C 0.661 176.994 176.300 0.055 0.000 1.161 64 D CA -0.036 54.000 54.000 0.060 0.000 0.876 64 D CB 1.404 42.256 40.800 0.087 0.000 1.160 64 D HN -0.073 nan 8.370 nan 0.000 0.459 65 K N 3.086 123.498 120.400 0.021 0.000 2.032 65 K HA -0.165 4.156 4.320 0.001 0.000 0.209 65 K C 1.646 178.207 176.600 -0.065 0.000 1.048 65 K CA 1.627 57.863 56.287 -0.084 0.000 0.927 65 K CB -0.241 32.125 32.500 -0.222 0.000 0.712 65 K HN 0.450 nan 8.250 nan 0.000 0.441 66 F N 0.759 120.691 119.950 -0.031 0.000 2.186 66 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 66 F C 1.993 177.777 175.800 -0.028 0.000 1.090 66 F CA 1.241 59.220 58.000 -0.035 0.000 1.307 66 F CB -0.086 38.890 39.000 -0.040 0.000 1.019 66 F HN 0.141 nan 8.300 nan 0.000 0.489 67 E N -0.454 119.851 120.200 0.175 0.000 2.170 67 E HA -0.139 4.212 4.350 0.001 0.000 0.191 67 E C 1.744 178.373 176.600 0.049 0.000 0.981 67 E CA 0.567 57.020 56.400 0.088 0.000 0.830 67 E CB -0.223 29.515 29.700 0.064 0.000 0.775 67 E HN 0.198 nan 8.360 nan 0.000 0.470 68 N N 1.218 119.939 118.700 0.037 0.000 2.166 68 N HA -0.132 4.608 4.740 0.001 0.000 0.186 68 N C 1.718 177.229 175.510 0.002 0.000 1.019 68 N CA 1.140 54.195 53.050 0.010 0.000 0.856 68 N CB -0.009 38.475 38.487 -0.004 0.000 0.993 68 N HN 0.107 nan 8.380 nan 0.000 0.426 69 M N -0.467 119.134 119.600 0.003 0.000 2.073 69 M HA -0.145 4.336 4.480 0.001 0.000 0.258 69 M C 2.128 178.435 176.300 0.010 0.000 1.070 69 M CA 2.019 57.318 55.300 -0.002 0.000 1.103 69 M CB -0.897 31.702 32.600 -0.001 0.000 1.321 69 M HN 0.287 nan 8.290 nan 0.000 0.405 70 G N -0.502 108.314 108.800 0.027 0.000 2.418 70 G HA2 -0.126 3.834 3.960 0.001 0.000 0.217 70 G HA3 -0.126 3.834 3.960 0.001 0.000 0.217 70 G C 1.584 176.490 174.900 0.010 0.000 1.158 70 G CA 1.049 46.162 45.100 0.022 0.000 0.771 70 G HN 0.570 nan 8.290 nan 0.000 0.545 71 A N 0.073 122.898 122.820 0.008 0.000 1.883 71 A HA -0.111 4.209 4.320 0.001 0.000 0.217 71 A C 2.413 179.992 177.584 -0.008 0.000 1.186 71 A CA 2.025 54.062 52.037 -0.000 0.000 0.624 71 A CB -0.392 18.608 19.000 0.000 0.000 0.822 71 A HN 0.325 nan 8.150 nan 0.000 0.444 72 Q N -0.764 119.030 119.800 -0.010 0.000 2.084 72 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 72 Q C 2.196 178.185 176.000 -0.018 0.000 0.978 72 Q CA 1.699 57.493 55.803 -0.016 0.000 0.844 72 Q CB -0.481 28.246 28.738 -0.019 0.000 0.898 72 Q HN 0.794 nan 8.270 nan 0.000 0.426 73 M N -0.327 119.266 119.600 -0.012 0.000 2.080 73 M HA -0.174 4.307 4.480 0.001 0.000 0.260 73 M C 2.311 178.601 176.300 -0.017 0.000 1.068 73 M CA 1.276 56.569 55.300 -0.010 0.000 1.109 73 M CB -0.449 32.151 32.600 0.001 0.000 1.342 73 M HN -0.044 nan 8.290 nan 0.000 0.405 74 V N 0.368 120.274 119.914 -0.014 0.000 2.343 74 V HA -0.268 3.852 4.120 0.001 0.000 0.247 74 V C 2.213 178.285 176.094 -0.036 0.000 1.051 74 V CA 1.798 64.087 62.300 -0.019 0.000 1.036 74 V CB -0.672 31.145 31.823 -0.009 0.000 0.654 74 V HN 0.434 nan 8.190 nan 0.000 0.451 75 K N -0.466 119.914 120.400 -0.033 0.000 2.032 75 K HA -0.198 4.122 4.320 0.001 0.000 0.209 75 K C 2.318 178.883 176.600 -0.058 0.000 1.048 75 K CA 1.501 57.763 56.287 -0.042 0.000 0.927 75 K CB -0.228 32.253 32.500 -0.032 0.000 0.712 75 K HN 0.358 nan 8.250 nan 0.000 0.441 76 E N 0.569 120.736 120.200 -0.054 0.000 2.038 76 E HA -0.185 4.166 4.350 0.001 0.000 0.195 76 E C 2.104 178.641 176.600 -0.106 0.000 1.000 76 E CA 1.380 57.741 56.400 -0.065 0.000 0.803 76 E CB -0.113 29.560 29.700 -0.045 0.000 0.750 76 E HN 0.056 nan 8.360 nan 0.000 0.448 77 V N 1.145 120.991 119.914 -0.114 0.000 2.358 77 V HA -0.215 3.905 4.120 0.001 0.000 0.246 77 V C 2.447 178.356 176.094 -0.308 0.000 1.047 77 V CA 1.673 63.849 62.300 -0.206 0.000 1.035 77 V CB -0.787 30.967 31.823 -0.114 0.000 0.658 77 V HN 0.267 nan 8.190 nan 0.000 0.452 78 A N -0.831 121.879 122.820 -0.183 0.000 1.930 78 A HA -0.204 4.116 4.320 0.001 0.000 0.217 78 A C 2.536 180.025 177.584 -0.157 0.000 1.175 78 A CA 2.078 54.020 52.037 -0.158 0.000 0.627 78 A CB -0.677 18.273 19.000 -0.083 0.000 0.815 78 A HN 0.449 nan 8.150 nan 0.000 0.443 79 S N -0.473 115.147 115.700 -0.134 0.000 2.348 79 S HA -0.167 4.304 4.470 0.001 0.000 0.221 79 S C 2.027 176.538 174.600 -0.147 0.000 1.033 79 S CA 1.770 59.903 58.200 -0.113 0.000 1.010 79 S CB -0.276 62.873 63.200 -0.084 0.000 0.891 79 S HN 0.603 nan 8.310 nan 0.000 0.442 80 K N 0.756 121.036 120.400 -0.201 0.000 2.209 80 K HA -0.008 4.312 4.320 0.001 0.000 0.204 80 K C 2.244 178.676 176.600 -0.281 0.000 1.048 80 K CA 0.939 57.099 56.287 -0.212 0.000 0.940 80 K CB -0.286 32.094 32.500 -0.201 0.000 0.729 80 K HN 0.415 nan 8.250 nan 0.000 0.451 81 A N 2.021 124.560 122.820 -0.469 0.000 1.858 81 A HA -0.220 4.100 4.320 0.001 0.000 0.216 81 A C 1.956 179.497 177.584 -0.071 0.000 1.190 81 A CA 1.701 53.569 52.037 -0.283 0.000 0.617 81 A CB -0.706 18.112 19.000 -0.304 0.000 0.827 81 A HN 0.372 nan 8.150 nan 0.000 0.443 82 N N -0.664 117.985 118.700 -0.086 0.000 2.453 82 N HA -0.138 4.603 4.740 0.001 0.000 0.183 82 N C 0.321 175.803 175.510 -0.047 0.000 1.041 82 N CA 1.309 54.332 53.050 -0.046 0.000 0.900 82 N CB -0.091 38.367 38.487 -0.048 0.000 0.961 82 N HN 0.403 nan 8.380 nan 0.000 0.443 83 D N -0.174 120.190 120.400 -0.061 0.000 2.355 83 D HA 0.112 4.753 4.640 0.001 0.000 0.206 83 D C 1.615 177.890 176.300 -0.043 0.000 1.010 83 D CA 0.231 54.195 54.000 -0.060 0.000 0.875 83 D CB 0.141 40.903 40.800 -0.064 0.000 0.966 83 D HN 0.288 nan 8.370 nan 0.000 0.512 84 A N 0.788 123.600 122.820 -0.014 0.000 1.898 84 A HA 0.257 4.577 4.320 0.001 0.000 0.214 84 A C 1.990 179.590 177.584 0.027 0.000 1.183 84 A CA 1.561 53.612 52.037 0.022 0.000 0.622 84 A CB -0.035 19.014 19.000 0.082 0.000 0.824 84 A HN 0.183 nan 8.150 nan 0.000 0.444 85 A N -2.916 119.925 122.820 0.034 0.000 2.469 85 A HA 0.483 4.803 4.320 0.001 0.000 0.245 85 A C 1.648 179.249 177.584 0.028 0.000 1.221 85 A CA 0.977 53.038 52.037 0.040 0.000 0.946 85 A CB -0.183 18.856 19.000 0.066 0.000 1.049 85 A HN 1.793 nan 8.150 nan 0.000 0.529 86 G N -0.828 107.976 108.800 0.007 0.000 2.358 86 G HA2 -0.250 3.711 3.960 0.001 0.000 0.224 86 G HA3 -0.250 3.711 3.960 0.001 0.000 0.224 86 G C 0.230 175.138 174.900 0.013 0.000 1.073 86 G CA 0.508 45.611 45.100 0.005 0.000 0.635 86 G HN 0.618 nan 8.290 nan 0.000 0.509 87 D N -1.251 119.160 120.400 0.019 0.000 2.846 87 D HA 0.482 5.123 4.640 0.001 0.000 0.273 87 D C 1.374 177.682 176.300 0.013 0.000 1.145 87 D CA 0.341 54.352 54.000 0.018 0.000 1.091 87 D CB 0.881 41.696 40.800 0.025 0.000 1.364 87 D HN 1.287 nan 8.370 nan 0.000 0.613 88 G N -0.180 108.627 108.800 0.013 0.000 2.189 88 G HA2 -0.339 3.621 3.960 0.001 0.000 0.267 88 G HA3 -0.339 3.621 3.960 0.001 0.000 0.267 88 G C 1.030 175.936 174.900 0.010 0.000 0.975 88 G CA 1.507 46.616 45.100 0.015 0.000 0.644 88 G HN 0.506 nan 8.290 nan 0.000 0.537 89 T N 0.793 115.346 114.554 -0.001 0.000 2.565 89 T HA -0.256 4.094 4.350 0.001 0.000 0.265 89 T C 2.400 177.096 174.700 -0.007 0.000 1.082 89 T CA 2.580 64.673 62.100 -0.012 0.000 1.173 89 T CB -0.864 67.993 68.868 -0.018 0.000 0.864 89 T HN 0.511 nan 8.240 nan 0.000 0.425 90 T N 1.774 116.327 114.554 -0.002 0.000 2.833 90 T HA -0.110 4.240 4.350 0.001 0.000 0.269 90 T C 2.255 176.959 174.700 0.008 0.000 1.054 90 T CA 1.593 63.693 62.100 0.000 0.000 1.135 90 T CB -0.777 68.092 68.868 0.001 0.000 0.869 90 T HN 0.494 nan 8.240 nan 0.000 0.466 91 T N 2.077 116.639 114.554 0.013 0.000 2.720 91 T HA -0.083 4.267 4.350 0.001 0.000 0.268 91 T C 2.432 177.148 174.700 0.027 0.000 1.037 91 T CA 1.201 63.313 62.100 0.020 0.000 1.144 91 T CB -0.566 68.316 68.868 0.024 0.000 0.864 91 T HN 0.471 nan 8.240 nan 0.000 0.444 92 A N 1.526 124.364 122.820 0.030 0.000 1.877 92 A HA -0.140 4.180 4.320 0.001 0.000 0.216 92 A C 2.582 180.184 177.584 0.031 0.000 1.186 92 A CA 2.147 54.209 52.037 0.043 0.000 0.620 92 A CB -1.277 17.746 19.000 0.039 0.000 0.822 92 A HN 0.503 nan 8.150 nan 0.000 0.443 93 T N -0.496 114.066 114.554 0.013 0.000 2.777 93 T HA -0.088 4.262 4.350 0.001 0.000 0.266 93 T C 1.853 176.561 174.700 0.013 0.000 1.040 93 T CA 1.434 63.539 62.100 0.009 0.000 1.141 93 T CB -0.417 68.450 68.868 -0.001 0.000 0.868 93 T HN 0.136 nan 8.240 nan 0.000 0.444 94 V N 1.494 121.417 119.914 0.014 0.000 2.343 94 V HA -0.095 4.026 4.120 0.001 0.000 0.247 94 V C 2.482 178.588 176.094 0.019 0.000 1.051 94 V CA 1.405 63.714 62.300 0.015 0.000 1.036 94 V CB -0.644 31.188 31.823 0.015 0.000 0.654 94 V HN 0.430 nan 8.190 nan 0.000 0.451 95 L N -0.127 121.111 121.223 0.025 0.000 2.083 95 L HA -0.142 4.198 4.340 0.001 0.000 0.209 95 L C 2.732 179.619 176.870 0.029 0.000 1.083 95 L CA 1.455 56.312 54.840 0.028 0.000 0.752 95 L CB -0.800 41.280 42.059 0.035 0.000 0.899 95 L HN 0.361 nan 8.230 nan 0.000 0.433 96 A N -0.147 122.692 122.820 0.031 0.000 1.865 96 A HA -0.321 4.000 4.320 0.001 0.000 0.217 96 A C 2.260 179.858 177.584 0.022 0.000 1.191 96 A CA 2.091 54.146 52.037 0.031 0.000 0.623 96 A CB -0.718 18.301 19.000 0.031 0.000 0.826 96 A HN 0.500 nan 8.150 nan 0.000 0.444 97 Q N -0.512 119.298 119.800 0.018 0.000 2.061 97 Q HA -0.152 4.188 4.340 0.001 0.000 0.204 97 Q C 2.093 178.102 176.000 0.014 0.000 0.984 97 Q CA 2.069 57.881 55.803 0.014 0.000 0.846 97 Q CB -0.407 28.338 28.738 0.011 0.000 0.902 97 Q HN 0.584 nan 8.270 nan 0.000 0.421 98 A N 0.303 123.133 122.820 0.015 0.000 1.969 98 A HA -0.112 4.209 4.320 0.001 0.000 0.218 98 A C 1.931 179.524 177.584 0.015 0.000 1.169 98 A CA 1.292 53.338 52.037 0.015 0.000 0.635 98 A CB -0.485 18.524 19.000 0.016 0.000 0.810 98 A HN 0.513 nan 8.150 nan 0.000 0.445 99 I N -0.879 119.701 120.570 0.017 0.000 2.277 99 I HA -0.134 4.036 4.170 0.001 0.000 0.243 99 I C 2.236 178.362 176.117 0.015 0.000 1.094 99 I CA 0.941 62.250 61.300 0.016 0.000 1.393 99 I CB -0.302 37.709 38.000 0.019 0.000 1.078 99 I HN 0.225 nan 8.210 nan 0.000 0.417 100 I N 0.595 121.174 120.570 0.016 0.000 2.202 100 I HA -0.242 3.929 4.170 0.001 0.000 0.242 100 I C 2.353 178.477 176.117 0.011 0.000 1.091 100 I CA 1.560 62.869 61.300 0.014 0.000 1.368 100 I CB -0.460 37.549 38.000 0.015 0.000 1.058 100 I HN 0.192 nan 8.210 nan 0.000 0.410 101 T N -0.019 114.541 114.554 0.010 0.000 3.035 101 T HA -0.061 4.290 4.350 0.001 0.000 0.268 101 T C 1.650 176.354 174.700 0.006 0.000 1.109 101 T CA 0.859 62.963 62.100 0.007 0.000 1.119 101 T CB -0.056 68.816 68.868 0.006 0.000 0.900 101 T HN 0.303 nan 8.240 nan 0.000 0.503 102 E N 0.581 120.785 120.200 0.008 0.000 2.166 102 E HA 0.121 4.472 4.350 0.001 0.000 0.192 102 E C 2.529 179.133 176.600 0.007 0.000 0.967 102 E CA 0.539 56.943 56.400 0.007 0.000 0.840 102 E CB -0.364 29.340 29.700 0.008 0.000 0.795 102 E HN 0.500 nan 8.360 nan 0.000 0.470 103 G N 1.052 109.858 108.800 0.008 0.000 2.403 103 G HA2 -0.148 3.812 3.960 0.001 0.000 0.216 103 G HA3 -0.148 3.812 3.960 0.001 0.000 0.216 103 G C 1.553 176.458 174.900 0.008 0.000 1.154 103 G CA 0.262 45.367 45.100 0.009 0.000 0.784 103 G HN 0.075 nan 8.290 nan 0.000 0.538 104 L N 0.537 121.765 121.223 0.008 0.000 2.179 104 L HA 0.172 4.513 4.340 0.001 0.000 0.208 104 L C 2.584 179.457 176.870 0.004 0.000 1.096 104 L CA 1.299 56.143 54.840 0.006 0.000 0.779 104 L CB -0.413 41.649 42.059 0.006 0.000 0.922 104 L HN 0.177 nan 8.230 nan 0.000 0.443 105 K N -0.115 120.287 120.400 0.004 0.000 2.103 105 K HA -0.214 4.106 4.320 0.001 0.000 0.207 105 K C 2.021 178.623 176.600 0.003 0.000 1.048 105 K CA 1.437 57.725 56.287 0.002 0.000 0.930 105 K CB -0.020 32.481 32.500 0.003 0.000 0.716 105 K HN 0.290 nan 8.250 nan 0.000 0.444 106 A N 0.702 123.525 122.820 0.004 0.000 1.841 106 A HA -0.114 4.206 4.320 0.001 0.000 0.214 106 A C 2.207 179.793 177.584 0.004 0.000 1.195 106 A CA 1.504 53.543 52.037 0.004 0.000 0.611 106 A CB -0.907 18.096 19.000 0.005 0.000 0.835 106 A HN 0.206 nan 8.150 nan 0.000 0.443 107 V N 0.051 119.968 119.914 0.006 0.000 2.594 107 V HA -0.189 3.932 4.120 0.001 0.000 0.253 107 V C 2.784 178.881 176.094 0.006 0.000 1.069 107 V CA 1.913 64.217 62.300 0.007 0.000 1.082 107 V CB -0.705 31.124 31.823 0.009 0.000 0.680 107 V HN 0.603 nan 8.190 nan 0.000 0.469 108 A N -0.246 122.576 122.820 0.004 0.000 2.019 108 A HA 0.026 4.347 4.320 0.001 0.000 0.219 108 A C 2.089 179.674 177.584 0.002 0.000 1.164 108 A CA 1.487 53.525 52.037 0.002 0.000 0.644 108 A CB -0.582 18.418 19.000 0.000 0.000 0.805 108 A HN 0.773 nan 8.150 nan 0.000 0.449 109 A N -1.220 121.601 122.820 0.002 0.000 2.268 109 A HA 0.423 4.744 4.320 0.001 0.000 0.221 109 A C 1.643 179.228 177.584 0.002 0.000 1.287 109 A CA 0.989 53.027 52.037 0.001 0.000 0.902 109 A CB -1.425 17.576 19.000 0.001 0.000 0.877 109 A HN 1.846 nan 8.150 nan 0.000 0.487 110 G N -1.314 107.487 108.800 0.002 0.000 2.162 110 G HA2 -0.292 3.669 3.960 0.001 0.000 0.260 110 G HA3 -0.292 3.669 3.960 0.001 0.000 0.260 110 G C 0.266 175.168 174.900 0.003 0.000 0.976 110 G CA 0.494 45.596 45.100 0.002 0.000 0.655 110 G HN 0.479 nan 8.290 nan 0.000 0.533 111 M N 0.313 119.915 119.600 0.004 0.000 2.245 111 M HA 0.198 4.678 4.480 0.001 0.000 0.330 111 M C 0.818 177.121 176.300 0.005 0.000 1.098 111 M CA -0.435 54.868 55.300 0.004 0.000 1.172 111 M CB 0.287 32.889 32.600 0.004 0.000 1.467 111 M HN 0.177 nan 8.290 nan 0.000 0.454 112 N N 2.626 121.329 118.700 0.005 0.000 2.452 112 N HA 0.125 4.865 4.740 0.001 0.000 0.266 112 N C -2.087 173.428 175.510 0.007 0.000 1.175 112 N CA -1.700 51.354 53.050 0.006 0.000 0.945 112 N CB 0.855 39.344 38.487 0.005 0.000 1.063 112 N HN 0.228 nan 8.380 nan 0.000 0.472 113 P HA -0.134 nan 4.420 nan 0.000 0.216 113 P C 1.191 178.497 177.300 0.010 0.000 1.150 113 P CA 1.241 64.348 63.100 0.011 0.000 0.843 113 P CB 0.218 31.927 31.700 0.015 0.000 0.787 114 M N -0.956 118.649 119.600 0.009 0.000 2.193 114 M HA -0.075 4.405 4.480 0.001 0.000 0.265 114 M C 1.539 177.843 176.300 0.006 0.000 1.071 114 M CA 1.620 56.925 55.300 0.008 0.000 1.140 114 M CB -1.076 31.529 32.600 0.007 0.000 1.369 114 M HN -0.209 nan 8.290 nan 0.000 0.423 115 D N -0.192 120.211 120.400 0.005 0.000 2.178 115 D HA -0.123 4.517 4.640 0.001 0.000 0.201 115 D C 2.079 178.382 176.300 0.005 0.000 0.980 115 D CA 1.151 55.154 54.000 0.004 0.000 0.842 115 D CB -0.172 40.630 40.800 0.004 0.000 0.948 115 D HN 0.327 nan 8.370 nan 0.000 0.472 116 L N 0.760 121.986 121.223 0.006 0.000 1.989 116 L HA -0.208 4.132 4.340 0.001 0.000 0.211 116 L C 2.584 179.458 176.870 0.006 0.000 1.071 116 L CA 1.338 56.182 54.840 0.006 0.000 0.749 116 L CB -0.385 41.679 42.059 0.008 0.000 0.890 116 L HN -0.022 nan 8.230 nan 0.000 0.431 117 K N 0.418 120.822 120.400 0.007 0.000 2.032 117 K HA -0.241 4.080 4.320 0.001 0.000 0.209 117 K C 2.307 178.909 176.600 0.004 0.000 1.048 117 K CA 1.452 57.742 56.287 0.006 0.000 0.927 117 K CB -0.147 32.357 32.500 0.007 0.000 0.712 117 K HN 0.048 nan 8.250 nan 0.000 0.441 118 R N -0.572 119.930 120.500 0.003 0.000 2.261 118 R HA -0.120 4.220 4.340 0.001 0.000 0.236 118 R C 1.853 178.154 176.300 0.002 0.000 1.141 118 R CA 1.511 57.612 56.100 0.002 0.000 1.001 118 R CB -0.154 30.148 30.300 0.002 0.000 0.866 118 R HN 0.466 nan 8.270 nan 0.000 0.468 119 G N -0.351 108.451 108.800 0.003 0.000 2.641 119 G HA2 -0.031 3.929 3.960 0.001 0.000 0.207 119 G HA3 -0.031 3.929 3.960 0.001 0.000 0.207 119 G C 1.318 176.219 174.900 0.003 0.000 1.137 119 G CA -0.145 44.956 45.100 0.003 0.000 0.824 119 G HN 0.147 nan 8.290 nan 0.000 0.547 120 I N 1.665 122.237 120.570 0.004 0.000 2.151 120 I HA -0.190 3.980 4.170 0.001 0.000 0.243 120 I C 2.264 178.381 176.117 0.001 0.000 1.080 120 I CA 1.381 62.684 61.300 0.004 0.000 1.339 120 I CB -0.127 37.877 38.000 0.006 0.000 1.039 120 I HN 0.042 nan 8.210 nan 0.000 0.409 121 D N 0.831 121.231 120.400 -0.001 0.000 2.104 121 D HA -0.239 4.401 4.640 0.001 0.000 0.194 121 D C 2.078 178.375 176.300 -0.004 0.000 0.994 121 D CA 1.319 55.316 54.000 -0.004 0.000 0.830 121 D CB -0.333 40.464 40.800 -0.005 0.000 0.959 121 D HN 0.291 nan 8.370 nan 0.000 0.452 122 K N 0.377 120.776 120.400 -0.002 0.000 2.152 122 K HA -0.102 4.218 4.320 0.001 0.000 0.206 122 K C 1.904 178.504 176.600 -0.000 0.000 1.048 122 K CA 1.205 57.491 56.287 -0.001 0.000 0.933 122 K CB 0.048 32.548 32.500 -0.000 0.000 0.721 122 K HN 0.060 nan 8.250 nan 0.000 0.447 123 A N 0.170 122.991 122.820 0.001 0.000 1.878 123 A HA -0.033 4.287 4.320 0.001 0.000 0.213 123 A C 2.167 179.752 177.584 0.001 0.000 1.192 123 A CA 0.924 52.963 52.037 0.002 0.000 0.619 123 A CB -0.393 18.609 19.000 0.004 0.000 0.837 123 A HN 0.123 nan 8.150 nan 0.000 0.446 124 V N -0.088 119.826 119.914 -0.001 0.000 2.295 124 V HA -0.216 3.905 4.120 0.001 0.000 0.246 124 V C 2.772 178.861 176.094 -0.007 0.000 1.049 124 V CA 2.542 64.840 62.300 -0.004 0.000 1.024 124 V CB -1.155 30.664 31.823 -0.007 0.000 0.648 124 V HN 0.588 nan 8.190 nan 0.000 0.447 125 T N 0.324 114.873 114.554 -0.010 0.000 2.746 125 T HA -0.149 4.202 4.350 0.001 0.000 0.267 125 T C 2.047 176.743 174.700 -0.006 0.000 1.039 125 T CA 1.557 63.650 62.100 -0.011 0.000 1.142 125 T CB -0.439 68.422 68.868 -0.012 0.000 0.866 125 T HN 0.560 nan 8.240 nan 0.000 0.444 126 A N 1.528 124.347 122.820 -0.003 0.000 1.908 126 A HA 0.100 4.421 4.320 0.001 0.000 0.218 126 A C 2.651 180.236 177.584 0.002 0.000 1.181 126 A CA 1.901 53.938 52.037 -0.000 0.000 0.627 126 A CB -1.127 17.874 19.000 0.001 0.000 0.818 126 A HN 0.512 nan 8.150 nan 0.000 0.445 127 A N -0.704 122.118 122.820 0.003 0.000 1.933 127 A HA 0.002 4.322 4.320 0.001 0.000 0.218 127 A C 2.164 179.751 177.584 0.005 0.000 1.175 127 A CA 1.764 53.805 52.037 0.006 0.000 0.628 127 A CB -0.807 18.198 19.000 0.008 0.000 0.814 127 A HN 0.418 nan 8.150 nan 0.000 0.444 128 V N -0.277 119.637 119.914 -0.000 0.000 2.667 128 V HA -0.161 3.960 4.120 0.001 0.000 0.252 128 V C 2.463 178.556 176.094 -0.001 0.000 1.065 128 V CA 2.162 64.460 62.300 -0.003 0.000 1.083 128 V CB -0.479 31.337 31.823 -0.012 0.000 0.692 128 V HN 0.644 nan 8.190 nan 0.000 0.468 129 E N 0.160 120.360 120.200 -0.001 0.000 2.158 129 E HA -0.135 4.216 4.350 0.001 0.000 0.191 129 E C 2.230 178.832 176.600 0.004 0.000 0.982 129 E CA 0.776 57.176 56.400 0.001 0.000 0.823 129 E CB -0.082 29.618 29.700 -0.000 0.000 0.766 129 E HN 0.482 nan 8.360 nan 0.000 0.468 130 E N 0.046 120.250 120.200 0.006 0.000 2.110 130 E HA -0.162 4.188 4.350 0.001 0.000 0.193 130 E C 2.012 178.620 176.600 0.012 0.000 0.988 130 E CA 0.526 56.932 56.400 0.010 0.000 0.804 130 E CB -0.255 29.452 29.700 0.012 0.000 0.745 130 E HN 0.234 nan 8.360 nan 0.000 0.458 131 L N 1.681 122.911 121.223 0.011 0.000 2.191 131 L HA -0.161 4.180 4.340 0.001 0.000 0.212 131 L C 1.827 178.704 176.870 0.012 0.000 1.103 131 L CA 1.603 56.451 54.840 0.012 0.000 0.769 131 L CB -0.184 41.882 42.059 0.011 0.000 0.908 131 L HN -0.048 nan 8.230 nan 0.000 0.438 132 K N -1.067 119.338 120.400 0.009 0.000 2.362 132 K HA -0.018 4.302 4.320 0.001 0.000 0.200 132 K C 1.772 178.378 176.600 0.011 0.000 1.046 132 K CA 0.890 57.182 56.287 0.009 0.000 0.952 132 K CB -0.116 32.388 32.500 0.006 0.000 0.753 132 K HN 0.451 nan 8.250 nan 0.000 0.466 133 A N 0.481 123.308 122.820 0.012 0.000 2.035 133 A HA 0.053 4.374 4.320 0.001 0.000 0.208 133 A C 1.826 179.420 177.584 0.017 0.000 1.206 133 A CA 0.021 52.066 52.037 0.014 0.000 0.773 133 A CB -0.053 18.955 19.000 0.013 0.000 0.878 133 A HN 0.161 nan 8.150 nan 0.000 0.469 134 L N 0.066 121.300 121.223 0.019 0.000 2.217 134 L HA 0.151 4.491 4.340 0.001 0.000 0.211 134 L C 1.276 178.160 176.870 0.023 0.000 1.107 134 L CA 1.070 55.924 54.840 0.024 0.000 0.783 134 L CB -0.442 41.632 42.059 0.026 0.000 0.919 134 L HN 0.246 nan 8.230 nan 0.000 0.442 135 S N -1.177 114.535 115.700 0.019 0.000 2.585 135 S HA 0.353 4.823 4.470 0.001 0.000 0.273 135 S C -0.307 174.303 174.600 0.018 0.000 1.339 135 S CA -0.631 57.580 58.200 0.018 0.000 1.028 135 S CB 0.595 63.805 63.200 0.016 0.000 0.906 135 S HN 0.029 nan 8.310 nan 0.000 0.528 136 V N 6.602 126.527 119.914 0.017 0.000 2.459 136 V HA 0.421 4.542 4.120 0.001 0.000 0.295 136 V C -2.086 174.017 176.094 0.014 0.000 1.029 136 V CA -1.848 60.462 62.300 0.016 0.000 0.874 136 V CB 1.316 33.149 31.823 0.016 0.000 0.985 136 V HN 0.759 nan 8.190 nan 0.000 0.438 137 P HA 0.196 nan 4.420 nan 0.000 0.272 137 P C -0.755 176.552 177.300 0.011 0.000 1.254 137 P CA -0.274 62.834 63.100 0.013 0.000 0.795 137 P CB 0.501 32.208 31.700 0.012 0.000 1.022 138 C N 0.148 119.455 119.300 0.011 0.000 2.609 138 C HA 0.684 5.144 4.460 0.001 0.000 0.313 138 C C 0.864 175.860 174.990 0.009 0.000 1.175 138 C CA 0.591 59.615 59.018 0.010 0.000 1.434 138 C CB 0.437 28.183 27.740 0.010 0.000 2.005 138 C HN 0.683 nan 8.230 nan 0.000 0.471 139 S N 2.096 117.800 115.700 0.007 0.000 3.294 139 S HA 0.100 4.571 4.470 0.001 0.000 0.195 139 S C -0.405 174.198 174.600 0.005 0.000 0.943 139 S CA 0.692 58.896 58.200 0.007 0.000 1.266 139 S CB -0.902 62.303 63.200 0.008 0.000 1.152 139 S HN 0.983 nan 8.310 nan 0.000 0.386 140 D N 1.701 122.103 120.400 0.004 0.000 2.368 140 D HA 0.390 5.030 4.640 0.001 0.000 0.240 140 D C 0.985 177.285 176.300 0.001 0.000 1.169 140 D CA 0.336 54.337 54.000 0.003 0.000 0.906 140 D CB 0.698 41.500 40.800 0.003 0.000 1.187 140 D HN 0.080 nan 8.370 nan 0.000 0.435 141 S N 0.021 115.721 115.700 0.000 0.000 2.419 141 S HA -0.178 4.292 4.470 0.001 0.000 0.233 141 S C 1.573 176.172 174.600 -0.002 0.000 1.016 141 S CA 0.861 59.060 58.200 -0.002 0.000 0.974 141 S CB -0.317 62.881 63.200 -0.002 0.000 0.786 141 S HN 0.596 nan 8.310 nan 0.000 0.492 142 K N 1.702 122.102 120.400 -0.001 0.000 2.001 142 K HA -0.001 4.319 4.320 0.001 0.000 0.208 142 K C 2.319 178.919 176.600 -0.001 0.000 1.048 142 K CA 1.096 57.382 56.287 -0.001 0.000 0.932 142 K CB -0.400 32.100 32.500 0.000 0.000 0.715 142 K HN 0.266 nan 8.250 nan 0.000 0.437 143 A N 1.831 124.651 122.820 0.001 0.000 1.908 143 A HA -0.171 4.150 4.320 0.001 0.000 0.218 143 A C 2.073 179.657 177.584 -0.000 0.000 1.181 143 A CA 1.506 53.544 52.037 0.001 0.000 0.627 143 A CB -0.609 18.393 19.000 0.004 0.000 0.818 143 A HN 0.327 nan 8.150 nan 0.000 0.445 144 I N -0.050 120.520 120.570 -0.001 0.000 2.127 144 I HA -0.288 3.883 4.170 0.001 0.000 0.241 144 I C 2.980 179.094 176.117 -0.006 0.000 1.075 144 I CA 1.727 63.025 61.300 -0.003 0.000 1.334 144 I CB -1.652 36.345 38.000 -0.004 0.000 1.040 144 I HN 0.380 nan 8.210 nan 0.000 0.405 145 A N -0.112 122.704 122.820 -0.006 0.000 1.972 145 A HA -0.264 4.057 4.320 0.001 0.000 0.219 145 A C 2.343 179.923 177.584 -0.008 0.000 1.169 145 A CA 1.830 53.862 52.037 -0.008 0.000 0.635 145 A CB -0.685 18.310 19.000 -0.007 0.000 0.810 145 A HN 0.564 nan 8.150 nan 0.000 0.446 146 Q N -0.715 119.081 119.800 -0.007 0.000 1.990 146 Q HA -0.120 4.221 4.340 0.001 0.000 0.200 146 Q C 2.034 178.029 176.000 -0.008 0.000 0.980 146 Q CA 1.997 57.796 55.803 -0.007 0.000 0.832 146 Q CB -0.335 28.400 28.738 -0.006 0.000 0.897 146 Q HN 0.379 nan 8.270 nan 0.000 0.427 147 V N 0.279 120.191 119.914 -0.005 0.000 2.490 147 V HA -0.126 3.995 4.120 0.001 0.000 0.250 147 V C 1.923 178.014 176.094 -0.004 0.000 1.061 147 V CA 2.180 64.478 62.300 -0.003 0.000 1.064 147 V CB -0.591 31.233 31.823 0.002 0.000 0.670 147 V HN 0.622 nan 8.190 nan 0.000 0.461 148 G N -0.656 108.140 108.800 -0.006 0.000 2.403 148 G HA2 -0.227 3.734 3.960 0.001 0.000 0.216 148 G HA3 -0.227 3.734 3.960 0.001 0.000 0.216 148 G C 1.682 176.576 174.900 -0.010 0.000 1.154 148 G CA 1.422 46.516 45.100 -0.009 0.000 0.784 148 G HN 0.602 nan 8.290 nan 0.000 0.538 149 T N -0.154 114.394 114.554 -0.011 0.000 2.812 149 T HA 0.064 4.415 4.350 0.001 0.000 0.264 149 T C 2.396 177.089 174.700 -0.013 0.000 1.042 149 T CA 0.835 62.928 62.100 -0.012 0.000 1.140 149 T CB -0.236 68.624 68.868 -0.013 0.000 0.870 149 T HN 0.203 nan 8.240 nan 0.000 0.445 150 I N 1.660 122.222 120.570 -0.013 0.000 2.142 150 I HA -0.167 4.003 4.170 0.001 0.000 0.240 150 I C 3.028 179.139 176.117 -0.011 0.000 1.078 150 I CA 1.522 62.813 61.300 -0.015 0.000 1.343 150 I CB -0.475 37.515 38.000 -0.015 0.000 1.046 150 I HN 0.304 nan 8.210 nan 0.000 0.405 151 S N 0.411 116.108 115.700 -0.006 0.000 2.447 151 S HA -0.018 4.452 4.470 0.001 0.000 0.233 151 S C 1.781 176.381 174.600 -0.000 0.000 1.006 151 S CA 0.954 59.154 58.200 -0.000 0.000 0.957 151 S CB -0.208 62.996 63.200 0.007 0.000 0.773 151 S HN 0.438 nan 8.310 nan 0.000 0.507 152 A N 1.393 124.211 122.820 -0.004 0.000 2.310 152 A HA 0.276 4.596 4.320 0.001 0.000 0.230 152 A C 0.969 178.548 177.584 -0.008 0.000 1.294 152 A CA 0.438 52.473 52.037 -0.005 0.000 0.898 152 A CB -0.977 18.018 19.000 -0.007 0.000 0.917 152 A HN 0.771 nan 8.150 nan 0.000 0.491 153 N N -1.351 117.344 118.700 -0.010 0.000 2.909 153 N HA -0.261 4.480 4.740 0.001 0.000 0.242 153 N C 0.033 175.532 175.510 -0.018 0.000 0.975 153 N CA 0.906 53.948 53.050 -0.014 0.000 0.921 153 N CB -1.028 37.452 38.487 -0.012 0.000 1.112 153 N HN 0.555 nan 8.380 nan 0.000 0.581 154 S N -0.839 114.850 115.700 -0.018 0.000 2.761 154 S HA -0.125 4.346 4.470 0.001 0.000 0.267 154 S C -0.614 173.976 174.600 -0.016 0.000 1.401 154 S CA 0.465 58.653 58.200 -0.020 0.000 0.984 154 S CB -1.108 62.077 63.200 -0.025 0.000 1.243 154 S HN 0.579 nan 8.310 nan 0.000 0.727 155 D N 1.965 122.357 120.400 -0.014 0.000 2.348 155 D HA 0.137 4.778 4.640 0.001 0.000 0.259 155 D C 1.061 177.353 176.300 -0.012 0.000 1.296 155 D CA 0.245 54.238 54.000 -0.012 0.000 0.931 155 D CB 0.423 41.217 40.800 -0.010 0.000 1.067 155 D HN 0.519 nan 8.370 nan 0.000 0.503 156 E N 1.205 121.397 120.200 -0.012 0.000 2.333 156 E HA -0.145 4.205 4.350 0.001 0.000 0.198 156 E C 1.835 178.428 176.600 -0.011 0.000 1.007 156 E CA 1.031 57.424 56.400 -0.012 0.000 0.845 156 E CB 0.313 30.006 29.700 -0.012 0.000 0.766 156 E HN 0.614 nan 8.360 nan 0.000 0.507 157 T N -2.080 112.468 114.554 -0.011 0.000 2.814 157 T HA -0.048 4.303 4.350 0.001 0.000 0.254 157 T C 2.113 176.806 174.700 -0.012 0.000 1.037 157 T CA 0.637 62.731 62.100 -0.011 0.000 1.143 157 T CB -0.558 68.304 68.868 -0.010 0.000 0.866 157 T HN -0.042 nan 8.240 nan 0.000 0.431 158 V N 2.212 122.118 119.914 -0.012 0.000 2.287 158 V HA -0.034 4.086 4.120 0.001 0.000 0.248 158 V C 3.109 179.194 176.094 -0.016 0.000 1.053 158 V CA 2.121 64.412 62.300 -0.014 0.000 1.027 158 V CB -1.479 30.337 31.823 -0.012 0.000 0.646 158 V HN 0.729 nan 8.190 nan 0.000 0.447 159 G N -0.880 107.912 108.800 -0.014 0.000 2.422 159 G HA2 -0.262 3.699 3.960 0.001 0.000 0.218 159 G HA3 -0.262 3.699 3.960 0.001 0.000 0.218 159 G C 1.635 176.526 174.900 -0.014 0.000 1.140 159 G CA 0.905 45.997 45.100 -0.014 0.000 0.775 159 G HN 0.504 nan 8.290 nan 0.000 0.545 160 K N -0.432 119.960 120.400 -0.013 0.000 2.057 160 K HA 0.015 4.335 4.320 0.001 0.000 0.206 160 K C 2.400 178.992 176.600 -0.014 0.000 1.050 160 K CA 0.630 56.909 56.287 -0.012 0.000 0.935 160 K CB -0.218 32.275 32.500 -0.011 0.000 0.715 160 K HN 0.167 nan 8.250 nan 0.000 0.439 161 L N 1.402 122.616 121.223 -0.015 0.000 2.013 161 L HA -0.201 4.140 4.340 0.001 0.000 0.212 161 L C 2.137 178.994 176.870 -0.022 0.000 1.073 161 L CA 1.645 56.475 54.840 -0.018 0.000 0.753 161 L CB -0.427 41.621 42.059 -0.018 0.000 0.890 161 L HN 0.253 nan 8.230 nan 0.000 0.432 162 I N -1.404 119.152 120.570 -0.025 0.000 2.163 162 I HA -0.272 3.898 4.170 0.001 0.000 0.240 162 I C 2.560 178.663 176.117 -0.023 0.000 1.081 162 I CA 1.162 62.444 61.300 -0.030 0.000 1.353 162 I CB -0.553 37.427 38.000 -0.034 0.000 1.054 162 I HN 0.212 nan 8.210 nan 0.000 0.407 163 A N 0.367 123.176 122.820 -0.018 0.000 1.877 163 A HA -0.203 4.118 4.320 0.001 0.000 0.216 163 A C 2.138 179.715 177.584 -0.013 0.000 1.186 163 A CA 1.576 53.605 52.037 -0.014 0.000 0.620 163 A CB -0.576 18.417 19.000 -0.011 0.000 0.822 163 A HN 0.448 nan 8.150 nan 0.000 0.443 164 E N -0.393 119.800 120.200 -0.013 0.000 2.511 164 E HA 0.092 4.443 4.350 0.001 0.000 0.196 164 E C 1.903 178.496 176.600 -0.012 0.000 1.066 164 E CA 0.426 56.819 56.400 -0.011 0.000 0.871 164 E CB -0.090 29.604 29.700 -0.010 0.000 0.863 164 E HN 0.641 nan 8.360 nan 0.000 0.520 165 A N 0.991 123.801 122.820 -0.016 0.000 1.871 165 A HA -0.040 4.280 4.320 0.001 0.000 0.211 165 A C 2.128 179.703 177.584 -0.015 0.000 1.207 165 A CA 0.508 52.534 52.037 -0.017 0.000 0.620 165 A CB -0.205 18.781 19.000 -0.023 0.000 0.860 165 A HN 0.082 nan 8.150 nan 0.000 0.450 166 M N -0.555 119.036 119.600 -0.016 0.000 2.159 166 M HA -0.173 4.307 4.480 0.001 0.000 0.263 166 M C 1.831 178.126 176.300 -0.008 0.000 1.063 166 M CA 2.095 57.388 55.300 -0.012 0.000 1.110 166 M CB -0.565 32.027 32.600 -0.013 0.000 1.374 166 M HN 0.547 nan 8.290 nan 0.000 0.411 167 D N 0.307 120.703 120.400 -0.008 0.000 2.178 167 D HA -0.126 4.515 4.640 0.001 0.000 0.202 167 D C 1.856 178.153 176.300 -0.005 0.000 0.974 167 D CA 1.223 55.219 54.000 -0.006 0.000 0.841 167 D CB 0.286 41.083 40.800 -0.006 0.000 0.953 167 D HN 0.249 nan 8.370 nan 0.000 0.478 168 K N -0.448 119.948 120.400 -0.007 0.000 2.005 168 K HA -0.003 4.317 4.320 0.001 0.000 0.206 168 K C 1.908 178.505 176.600 -0.005 0.000 1.044 168 K CA 0.750 57.033 56.287 -0.006 0.000 0.942 168 K CB -0.224 32.272 32.500 -0.007 0.000 0.727 168 K HN 0.008 nan 8.250 nan 0.000 0.439 169 V N 0.248 120.158 119.914 -0.007 0.000 3.406 169 V HA 0.138 4.258 4.120 0.001 0.000 0.263 169 V C 0.255 176.347 176.094 -0.004 0.000 1.172 169 V CA 1.059 63.356 62.300 -0.006 0.000 1.140 169 V CB -0.139 31.680 31.823 -0.007 0.000 0.784 169 V HN 0.627 nan 8.190 nan 0.000 0.467 170 G N -0.064 108.733 108.800 -0.004 0.000 2.663 170 G HA2 -0.170 3.790 3.960 0.001 0.000 0.686 170 G HA3 -0.170 3.790 3.960 0.001 0.000 0.686 170 G C -0.029 174.870 174.900 -0.002 0.000 1.246 170 G CA 0.044 45.142 45.100 -0.002 0.000 0.795 170 G HN 0.275 nan 8.290 nan 0.000 0.627 171 K N 0.316 120.716 120.400 0.000 0.000 2.044 171 K HA 0.032 4.353 4.320 0.001 0.000 0.204 171 K C 1.955 178.557 176.600 0.004 0.000 1.049 171 K CA 1.789 58.077 56.287 0.001 0.000 0.945 171 K CB 0.013 32.515 32.500 0.004 0.000 0.724 171 K HN 0.524 nan 8.250 nan 0.000 0.440 172 E N 0.677 120.881 120.200 0.007 0.000 2.511 172 E HA 0.022 4.372 4.350 0.001 0.000 0.196 172 E C 0.657 177.262 176.600 0.009 0.000 1.066 172 E CA 0.120 56.526 56.400 0.011 0.000 0.871 172 E CB 0.167 29.875 29.700 0.014 0.000 0.863 172 E HN 0.305 nan 8.360 nan 0.000 0.520 173 G N -0.100 108.702 108.800 0.003 0.000 2.588 173 G HA2 0.283 4.244 3.960 0.001 0.000 0.278 173 G HA3 0.283 4.244 3.960 0.001 0.000 0.278 173 G C -0.432 174.466 174.900 -0.003 0.000 1.307 173 G CA -0.654 44.447 45.100 0.001 0.000 1.016 173 G HN 0.045 nan 8.290 nan 0.000 0.503 174 V N 0.678 120.589 119.914 -0.004 0.000 2.334 174 V HA 0.306 4.426 4.120 0.001 0.000 0.267 174 V C -0.419 175.664 176.094 -0.018 0.000 1.040 174 V CA -0.226 62.068 62.300 -0.010 0.000 0.866 174 V CB 0.505 32.326 31.823 -0.004 0.000 1.019 174 V HN 0.392 nan 8.190 nan 0.000 0.468 175 I N 5.169 125.721 120.570 -0.029 0.000 2.404 175 I HA 0.659 4.829 4.170 0.001 0.000 0.293 175 I C 0.463 176.552 176.117 -0.047 0.000 0.992 175 I CA 0.178 61.455 61.300 -0.038 0.000 1.149 175 I CB 2.234 40.206 38.000 -0.047 0.000 1.315 175 I HN 0.752 nan 8.210 nan 0.000 0.446 176 T N 2.610 117.139 114.554 -0.041 0.000 2.887 176 T HA 0.875 5.225 4.350 0.001 0.000 0.292 176 T C -0.785 173.892 174.700 -0.037 0.000 1.087 176 T CA -0.812 61.264 62.100 -0.040 0.000 1.009 176 T CB 1.664 70.514 68.868 -0.029 0.000 1.203 176 T HN 0.180 nan 8.240 nan 0.000 0.518 177 V N 1.170 121.065 119.914 -0.032 0.000 2.604 177 V HA 0.600 4.720 4.120 0.001 0.000 0.305 177 V C -0.455 175.629 176.094 -0.017 0.000 1.043 177 V CA -0.802 61.483 62.300 -0.026 0.000 0.888 177 V CB 1.636 33.443 31.823 -0.026 0.000 0.995 177 V HN 0.984 nan 8.190 nan 0.000 0.429 178 E N 1.873 122.064 120.200 -0.015 0.000 2.248 178 E HA 0.264 4.614 4.350 0.001 0.000 0.267 178 E C -1.150 175.444 176.600 -0.011 0.000 0.877 178 E CA -0.671 55.721 56.400 -0.012 0.000 0.759 178 E CB 2.481 32.173 29.700 -0.013 0.000 1.182 178 E HN 0.611 nan 8.360 nan 0.000 0.418 179 D N 3.057 123.452 120.400 -0.009 0.000 2.688 179 D HA 0.104 4.744 4.640 0.001 0.000 0.228 179 D C 0.276 176.571 176.300 -0.009 0.000 1.116 179 D CA 0.093 54.088 54.000 -0.008 0.000 1.023 179 D CB -0.004 40.792 40.800 -0.007 0.000 1.100 179 D HN 0.606 nan 8.370 nan 0.000 0.487 180 G N 0.148 108.942 108.800 -0.009 0.000 2.468 180 G HA2 0.159 4.120 3.960 0.001 0.000 0.264 180 G HA3 0.159 4.120 3.960 0.001 0.000 0.264 180 G C 0.889 175.784 174.900 -0.008 0.000 1.460 180 G CA 0.663 45.758 45.100 -0.009 0.000 1.060 180 G HN 0.355 nan 8.290 nan 0.000 0.543 181 T N -4.168 110.382 114.554 -0.008 0.000 3.252 181 T HA 0.351 4.701 4.350 0.001 0.000 0.295 181 T C 0.955 175.651 174.700 -0.007 0.000 0.897 181 T CA 0.667 62.763 62.100 -0.007 0.000 0.905 181 T CB -0.041 68.823 68.868 -0.008 0.000 1.202 181 T HN 0.893 nan 8.240 nan 0.000 0.592 182 G N 1.395 110.191 108.800 -0.007 0.000 2.599 182 G HA2 0.497 4.458 3.960 0.001 0.000 0.264 182 G HA3 0.497 4.458 3.960 0.001 0.000 0.264 182 G C 0.651 175.547 174.900 -0.006 0.000 1.200 182 G CA -0.424 44.672 45.100 -0.007 0.000 0.896 182 G HN 0.211 nan 8.290 nan 0.000 0.536 183 L N -1.058 120.162 121.223 -0.006 0.000 2.162 183 L HA 0.223 4.564 4.340 0.001 0.000 0.205 183 L C 1.543 178.409 176.870 -0.006 0.000 1.086 183 L CA 1.374 56.210 54.840 -0.006 0.000 0.778 183 L CB -0.445 41.611 42.059 -0.005 0.000 0.928 183 L HN 0.556 nan 8.230 nan 0.000 0.446 184 Q N -0.162 119.634 119.800 -0.006 0.000 2.195 184 Q HA 0.270 4.611 4.340 0.001 0.000 0.250 184 Q C -0.877 175.119 176.000 -0.007 0.000 0.988 184 Q CA -0.785 55.014 55.803 -0.007 0.000 0.911 184 Q CB 1.193 29.927 28.738 -0.006 0.000 1.258 184 Q HN 0.258 nan 8.270 nan 0.000 0.475 185 D N 0.330 120.725 120.400 -0.008 0.000 2.411 185 D HA 0.210 4.850 4.640 0.001 0.000 0.251 185 D C -0.411 175.884 176.300 -0.009 0.000 1.201 185 D CA -0.215 53.779 54.000 -0.009 0.000 0.996 185 D CB 0.823 41.617 40.800 -0.010 0.000 1.101 185 D HN 0.212 nan 8.370 nan 0.000 0.504 186 E N -0.215 119.979 120.200 -0.010 0.000 2.369 186 E HA 0.486 4.837 4.350 0.001 0.000 0.270 186 E C -0.983 175.611 176.600 -0.011 0.000 0.909 186 E CA -0.861 55.534 56.400 -0.009 0.000 0.775 186 E CB 2.374 32.069 29.700 -0.009 0.000 1.270 186 E HN 0.219 nan 8.360 nan 0.000 0.445 187 L N 2.771 123.988 121.223 -0.010 0.000 2.551 187 L HA 0.240 4.580 4.340 0.001 0.000 0.248 187 L C -1.048 175.816 176.870 -0.010 0.000 1.509 187 L CA -0.307 54.526 54.840 -0.011 0.000 0.842 187 L CB 0.239 42.291 42.059 -0.012 0.000 1.087 187 L HN 0.471 nan 8.230 nan 0.000 0.512 188 D N 0.955 121.349 120.400 -0.010 0.000 2.451 188 D HA 0.509 5.149 4.640 0.001 0.000 0.259 188 D C -0.094 176.201 176.300 -0.008 0.000 1.201 188 D CA -0.210 53.785 54.000 -0.008 0.000 1.028 188 D CB 2.267 43.062 40.800 -0.008 0.000 1.095 188 D HN 0.173 nan 8.370 nan 0.000 0.539 189 V N -3.072 116.838 119.914 -0.007 0.000 3.007 189 V HA 0.852 4.973 4.120 0.001 0.000 0.311 189 V C -0.551 175.541 176.094 -0.004 0.000 1.120 189 V CA -0.794 61.503 62.300 -0.006 0.000 0.980 189 V CB 1.876 33.696 31.823 -0.005 0.000 1.033 189 V HN 0.429 nan 8.190 nan 0.000 0.429 190 V N 0.945 120.857 119.914 -0.003 0.000 3.236 190 V HA 0.506 4.627 4.120 0.001 0.000 0.287 190 V C -0.768 175.327 176.094 0.002 0.000 1.491 190 V CA -0.396 61.904 62.300 -0.001 0.000 1.037 190 V CB 2.390 34.212 31.823 -0.001 0.000 1.160 190 V HN 1.200 nan 8.190 nan 0.000 0.453 191 E N 1.800 122.002 120.200 0.004 0.000 2.436 191 E HA 0.583 4.933 4.350 0.001 0.000 0.262 191 E C 0.388 176.995 176.600 0.011 0.000 1.063 191 E CA 1.508 57.912 56.400 0.008 0.000 0.944 191 E CB 0.921 30.626 29.700 0.008 0.000 0.950 191 E HN 1.289 nan 8.360 nan 0.000 0.444 192 G N 0.480 109.291 108.800 0.018 0.000 2.333 192 G HA2 0.357 4.317 3.960 0.001 0.000 0.288 192 G HA3 0.357 4.317 3.960 0.001 0.000 0.288 192 G C -1.606 173.318 174.900 0.039 0.000 1.286 192 G CA -0.664 44.451 45.100 0.026 0.000 0.865 192 G HN 0.468 nan 8.290 nan 0.000 0.506 193 M N 0.690 120.322 119.600 0.054 0.000 2.294 193 M HA 0.519 5.000 4.480 0.001 0.000 0.280 193 M C -1.586 174.769 176.300 0.091 0.000 1.085 193 M CA -0.542 54.815 55.300 0.095 0.000 0.969 193 M CB 2.115 34.802 32.600 0.145 0.000 1.770 193 M HN 0.776 nan 8.290 nan 0.000 0.485 194 Q N 4.334 124.181 119.800 0.078 0.000 2.306 194 Q HA 0.830 5.171 4.340 0.001 0.000 0.265 194 Q C -1.922 174.159 176.000 0.136 0.000 1.022 194 Q CA -0.607 55.193 55.803 -0.006 0.000 0.853 194 Q CB 1.858 30.585 28.738 -0.020 0.000 1.327 194 Q HN 0.622 nan 8.270 nan 0.000 0.449 195 F N -0.758 119.204 119.950 0.019 0.000 2.693 195 F HA 0.377 4.905 4.527 0.001 0.000 0.309 195 F C -1.113 174.704 175.800 0.027 0.000 1.129 195 F CA -1.197 56.817 58.000 0.023 0.000 0.948 195 F CB 1.004 40.017 39.000 0.022 0.000 1.315 195 F HN 0.426 nan 8.300 nan 0.000 0.447 196 D N 0.897 121.445 120.400 0.246 0.000 2.856 196 D HA 0.234 4.874 4.640 0.001 0.000 0.242 196 D C -0.485 175.891 176.300 0.126 0.000 1.226 196 D CA 0.226 54.300 54.000 0.124 0.000 0.855 196 D CB -0.048 40.822 40.800 0.118 0.000 1.065 196 D HN 0.234 nan 8.370 nan 0.000 0.462 197 R N 0.054 120.638 120.500 0.139 0.000 2.562 197 R HA 0.671 5.012 4.340 0.001 0.000 0.298 197 R C 0.406 176.694 176.300 -0.021 0.000 0.961 197 R CA -0.564 55.605 56.100 0.115 0.000 0.881 197 R CB 1.689 32.170 30.300 0.301 0.000 1.159 197 R HN 0.142 nan 8.270 nan 0.000 0.450 198 G N 1.072 109.826 108.800 -0.078 0.000 2.557 198 G HA2 0.300 4.261 3.960 0.001 0.000 0.302 198 G HA3 0.300 4.261 3.960 0.001 0.000 0.302 198 G C -0.941 173.892 174.900 -0.112 0.000 1.311 198 G CA -0.615 44.355 45.100 -0.217 0.000 1.030 198 G HN 0.568 nan 8.290 nan 0.000 0.509 199 Y N -1.102 119.258 120.300 0.100 0.000 2.610 199 Y HA 0.330 4.880 4.550 0.001 0.000 0.332 199 Y C 1.084 177.093 175.900 0.182 0.000 1.201 199 Y CA -1.254 56.966 58.100 0.200 0.000 1.465 199 Y CB 0.568 39.167 38.460 0.232 0.000 1.283 199 Y HN 0.210 nan 8.280 nan 0.000 0.563 200 L N 2.169 123.679 121.223 0.478 0.000 2.591 200 L HA 0.277 4.618 4.340 0.001 0.000 0.228 200 L C 0.184 177.107 176.870 0.089 0.000 1.133 200 L CA 0.488 55.510 54.840 0.302 0.000 0.880 200 L CB -0.771 41.493 42.059 0.341 0.000 1.033 200 L HN 0.746 nan 8.230 nan 0.000 0.450 201 S N -2.101 113.470 115.700 -0.214 0.000 2.535 201 S HA 0.457 4.927 4.470 0.001 0.000 0.272 201 S C -2.333 171.933 174.600 -0.557 0.000 1.149 201 S CA -0.764 57.063 58.200 -0.622 0.000 0.888 201 S CB 1.599 64.005 63.200 -1.323 0.000 1.110 201 S HN -0.131 nan 8.310 nan 0.000 0.463 202 P HA -0.017 nan 4.420 nan 0.000 0.219 202 P C 0.422 177.358 177.300 -0.606 0.000 1.146 202 P CA 1.129 63.900 63.100 -0.547 0.000 0.808 202 P CB -0.112 31.244 31.700 -0.573 0.000 0.779 203 Y N -2.633 117.452 120.300 -0.358 0.000 2.632 203 Y HA -0.029 4.521 4.550 0.001 0.000 0.301 203 Y C 1.390 177.277 175.900 -0.021 0.000 1.172 203 Y CA 0.089 58.070 58.100 -0.199 0.000 1.328 203 Y CB -0.706 37.660 38.460 -0.156 0.000 1.016 203 Y HN -0.064 nan 8.280 nan 0.000 0.529 204 F N -0.938 118.988 119.950 -0.040 0.000 2.746 204 F HA 0.175 4.702 4.527 0.001 0.000 0.297 204 F C 0.923 176.619 175.800 -0.173 0.000 1.113 204 F CA -0.825 57.135 58.000 -0.067 0.000 1.367 204 F CB -0.674 38.312 39.000 -0.024 0.000 1.111 204 F HN -0.090 nan 8.300 nan 0.000 0.590 205 I N 3.020 123.485 120.570 -0.175 0.000 2.382 205 I HA -0.059 4.112 4.170 0.001 0.000 0.297 205 I C 1.177 177.228 176.117 -0.111 0.000 1.172 205 I CA -0.112 61.019 61.300 -0.282 0.000 1.825 205 I CB -0.550 37.158 38.000 -0.486 0.000 1.509 205 I HN 0.076 nan 8.210 nan 0.000 0.842 206 N N 3.210 121.886 118.700 -0.040 0.000 2.512 206 N HA -0.140 4.600 4.740 0.001 0.000 0.183 206 N C 0.360 175.861 175.510 -0.016 0.000 1.073 206 N CA 0.885 53.928 53.050 -0.013 0.000 0.911 206 N CB 0.135 38.626 38.487 0.007 0.000 0.964 206 N HN 0.194 nan 8.380 nan 0.000 0.447 207 K N 1.490 121.878 120.400 -0.021 0.000 2.385 207 K HA 0.268 4.589 4.320 0.001 0.000 0.229 207 K C -1.854 174.733 176.600 -0.022 0.000 1.089 207 K CA -2.012 54.269 56.287 -0.011 0.000 1.060 207 K CB 1.594 34.099 32.500 0.007 0.000 1.698 207 K HN 0.150 nan 8.250 nan 0.000 0.469 208 P HA -0.143 nan 4.420 nan 0.000 0.215 208 P C 0.884 178.167 177.300 -0.028 0.000 1.157 208 P CA 1.155 64.225 63.100 -0.050 0.000 0.863 208 P CB 0.546 32.217 31.700 -0.047 0.000 0.787 209 E N -0.315 119.877 120.200 -0.013 0.000 2.077 209 E HA -0.094 4.256 4.350 0.001 0.000 0.193 209 E C 2.126 178.730 176.600 0.007 0.000 0.989 209 E CA 1.339 57.737 56.400 -0.005 0.000 0.800 209 E CB -1.357 28.343 29.700 -0.001 0.000 0.746 209 E HN 0.243 nan 8.360 nan 0.000 0.452 210 T N -0.348 114.216 114.554 0.017 0.000 2.803 210 T HA -0.074 4.277 4.350 0.001 0.000 0.269 210 T C 1.221 175.950 174.700 0.048 0.000 1.052 210 T CA 1.449 63.572 62.100 0.039 0.000 1.136 210 T CB -0.357 68.539 68.868 0.047 0.000 0.864 210 T HN 0.464 nan 8.240 nan 0.000 0.467 211 G N 1.049 109.873 108.800 0.040 0.000 2.248 211 G HA2 0.147 4.108 3.960 0.001 0.000 0.252 211 G HA3 0.147 4.108 3.960 0.001 0.000 0.252 211 G C -0.080 174.926 174.900 0.177 0.000 1.085 211 G CA -0.074 45.075 45.100 0.082 0.000 0.845 211 G HN 0.954 nan 8.290 nan 0.000 0.494 212 A N -1.440 121.441 122.820 0.102 0.000 2.593 212 A HA 0.959 5.280 4.320 0.001 0.000 0.290 212 A C -0.419 177.192 177.584 0.046 0.000 1.126 212 A CA -0.174 51.950 52.037 0.145 0.000 0.695 212 A CB 1.872 20.945 19.000 0.122 0.000 1.290 212 A HN 1.448 nan 8.150 nan 0.000 0.414 213 V N 0.675 120.643 119.914 0.091 0.000 2.581 213 V HA 0.606 4.727 4.120 0.001 0.000 0.303 213 V C -0.297 175.824 176.094 0.044 0.000 1.041 213 V CA -0.457 61.875 62.300 0.053 0.000 0.907 213 V CB 1.366 33.242 31.823 0.088 0.000 0.994 213 V HN 0.897 nan 8.190 nan 0.000 0.442 214 E N 3.999 124.211 120.200 0.019 0.000 2.293 214 E HA 0.771 5.122 4.350 0.001 0.000 0.270 214 E C -1.601 174.995 176.600 -0.007 0.000 0.879 214 E CA -0.732 55.672 56.400 0.007 0.000 0.756 214 E CB 2.973 32.675 29.700 0.004 0.000 1.208 214 E HN 0.472 nan 8.360 nan 0.000 0.428 215 L N 2.090 123.303 121.223 -0.016 0.000 2.472 215 L HA 0.366 4.706 4.340 0.001 0.000 0.260 215 L C -1.017 175.831 176.870 -0.036 0.000 0.963 215 L CA -1.004 53.817 54.840 -0.031 0.000 0.829 215 L CB 2.175 44.209 42.059 -0.040 0.000 1.348 215 L HN 0.480 nan 8.230 nan 0.000 0.408 216 E N 1.223 121.395 120.200 -0.047 0.000 2.145 216 E HA 0.302 4.653 4.350 0.001 0.000 0.270 216 E C 0.189 176.743 176.600 -0.076 0.000 0.906 216 E CA -0.407 55.963 56.400 -0.050 0.000 0.761 216 E CB 1.598 31.274 29.700 -0.041 0.000 1.116 216 E HN 0.659 nan 8.360 nan 0.000 0.408 217 S N 0.999 116.652 115.700 -0.078 0.000 3.641 217 S HA -0.138 4.333 4.470 0.001 0.000 0.346 217 S C -1.904 172.573 174.600 -0.206 0.000 1.074 217 S CA 0.532 58.663 58.200 -0.115 0.000 1.026 217 S CB -2.030 61.104 63.200 -0.110 0.000 0.908 217 S HN 0.580 nan 8.310 nan 0.000 0.479 218 P HA 0.543 nan 4.420 nan 0.000 0.278 218 P C 0.188 177.379 177.300 -0.181 0.000 1.266 218 P CA -0.846 62.114 63.100 -0.233 0.000 0.807 218 P CB 0.416 32.050 31.700 -0.110 0.000 1.094 219 F N -0.179 119.763 119.950 -0.014 0.000 2.382 219 F HA 0.415 4.943 4.527 0.001 0.000 0.331 219 F C 0.962 176.754 175.800 -0.013 0.000 1.121 219 F CA -0.542 57.451 58.000 -0.011 0.000 1.183 219 F CB 0.618 39.611 39.000 -0.012 0.000 1.207 219 F HN -0.015 nan 8.300 nan 0.000 0.555 220 I N 3.822 124.516 120.570 0.207 0.000 2.582 220 I HA 0.378 4.549 4.170 0.001 0.000 0.292 220 I C -1.358 174.803 176.117 0.073 0.000 1.066 220 I CA -0.852 60.512 61.300 0.108 0.000 1.053 220 I CB 2.340 40.395 38.000 0.091 0.000 1.241 220 I HN 0.326 nan 8.210 nan 0.000 0.421 221 L N 7.066 128.319 121.223 0.048 0.000 2.455 221 L HA 0.625 4.965 4.340 0.001 0.000 0.264 221 L C -1.886 174.999 176.870 0.026 0.000 0.968 221 L CA -0.518 54.337 54.840 0.025 0.000 0.827 221 L CB 2.274 44.340 42.059 0.011 0.000 1.317 221 L HN 0.566 nan 8.230 nan 0.000 0.407 222 L N 4.462 125.695 121.223 0.017 0.000 2.356 222 L HA 0.747 5.088 4.340 0.001 0.000 0.277 222 L C -0.067 176.808 176.870 0.009 0.000 0.996 222 L CA -0.549 54.300 54.840 0.015 0.000 0.822 222 L CB 1.800 43.864 42.059 0.008 0.000 1.256 222 L HN 0.754 nan 8.230 nan 0.000 0.413 223 A N 1.137 123.964 122.820 0.012 0.000 2.318 223 A HA 0.353 4.674 4.320 0.001 0.000 0.324 223 A C 0.132 177.720 177.584 0.006 0.000 1.170 223 A CA -0.470 51.573 52.037 0.011 0.000 0.810 223 A CB 1.171 20.183 19.000 0.020 0.000 1.198 223 A HN 0.831 nan 8.150 nan 0.000 0.484 224 D N 1.343 121.744 120.400 0.002 0.000 2.363 224 D HA 0.026 4.666 4.640 0.001 0.000 0.226 224 D C 0.644 176.948 176.300 0.007 0.000 1.020 224 D CA 1.061 55.060 54.000 -0.001 0.000 0.892 224 D CB 0.031 40.829 40.800 -0.004 0.000 0.900 224 D HN 0.658 nan 8.370 nan 0.000 0.531 225 K N -1.364 119.044 120.400 0.013 0.000 2.372 225 K HA 0.515 4.836 4.320 0.001 0.000 0.251 225 K C -0.733 175.881 176.600 0.024 0.000 1.055 225 K CA -1.187 55.111 56.287 0.018 0.000 0.879 225 K CB 0.899 33.408 32.500 0.015 0.000 1.384 225 K HN -0.384 nan 8.250 nan 0.000 0.465 226 K N 0.869 121.285 120.400 0.026 0.000 2.382 226 K HA 0.197 4.518 4.320 0.001 0.000 0.275 226 K C -0.348 176.269 176.600 0.029 0.000 1.009 226 K CA -0.119 56.186 56.287 0.030 0.000 0.970 226 K CB 0.235 32.752 32.500 0.028 0.000 0.934 226 K HN 0.444 nan 8.250 nan 0.000 0.479 227 I N 3.100 123.691 120.570 0.035 0.000 2.330 227 I HA 0.052 4.223 4.170 0.001 0.000 0.286 227 I C 1.004 177.142 176.117 0.034 0.000 1.025 227 I CA -0.021 61.299 61.300 0.034 0.000 1.197 227 I CB 0.744 38.768 38.000 0.040 0.000 1.358 227 I HN 0.722 nan 8.210 nan 0.000 0.467 228 S N 4.407 120.124 115.700 0.028 0.000 2.439 228 S HA 0.075 4.545 4.470 0.001 0.000 0.224 228 S C 0.774 175.389 174.600 0.026 0.000 1.029 228 S CA 0.084 58.299 58.200 0.026 0.000 0.946 228 S CB 0.292 63.504 63.200 0.021 0.000 0.797 228 S HN 0.722 nan 8.310 nan 0.000 0.504 229 N N 0.372 119.086 118.700 0.025 0.000 2.277 229 N HA 0.234 4.975 4.740 0.001 0.000 0.286 229 N C 0.074 175.599 175.510 0.024 0.000 1.140 229 N CA -0.475 52.589 53.050 0.023 0.000 0.799 229 N CB 1.803 40.300 38.487 0.018 0.000 1.596 229 N HN 0.096 nan 8.380 nan 0.000 0.473 230 I N 1.117 121.702 120.570 0.025 0.000 3.241 230 I HA 0.028 4.199 4.170 0.001 0.000 0.280 230 I C 2.195 178.323 176.117 0.019 0.000 1.320 230 I CA 0.592 61.908 61.300 0.026 0.000 1.413 230 I CB -0.641 37.376 38.000 0.028 0.000 1.060 230 I HN 0.513 nan 8.210 nan 0.000 0.500 231 R N 1.832 122.341 120.500 0.015 0.000 2.139 231 R HA -0.203 4.138 4.340 0.001 0.000 0.243 231 R C 1.566 177.871 176.300 0.009 0.000 1.145 231 R CA 1.629 57.735 56.100 0.011 0.000 0.976 231 R CB -0.267 30.039 30.300 0.009 0.000 0.866 231 R HN 0.490 nan 8.270 nan 0.000 0.449 232 E N -0.151 120.056 120.200 0.012 0.000 2.347 232 E HA -0.121 4.229 4.350 0.001 0.000 0.196 232 E C 1.570 178.176 176.600 0.010 0.000 1.008 232 E CA 0.823 57.229 56.400 0.011 0.000 0.852 232 E CB -0.008 29.700 29.700 0.014 0.000 0.783 232 E HN 0.306 nan 8.360 nan 0.000 0.505 233 M N -0.536 119.072 119.600 0.013 0.000 2.492 233 M HA 0.095 4.575 4.480 0.001 0.000 0.255 233 M C 1.945 178.249 176.300 0.005 0.000 1.139 233 M CA 0.231 55.538 55.300 0.012 0.000 1.096 233 M CB -0.020 32.594 32.600 0.022 0.000 1.360 233 M HN -0.017 nan 8.290 nan 0.000 0.480 234 L N 0.826 122.052 121.223 0.004 0.000 1.997 234 L HA -0.231 4.109 4.340 0.001 0.000 0.216 234 L C -0.308 176.559 176.870 -0.005 0.000 1.074 234 L CA 1.752 56.593 54.840 0.002 0.000 0.763 234 L CB -2.266 39.793 42.059 0.001 0.000 0.890 234 L HN 0.233 nan 8.230 nan 0.000 0.434 235 P HA -0.105 nan 4.420 nan 0.000 0.215 235 P C 1.826 179.109 177.300 -0.029 0.000 1.157 235 P CA 1.849 64.937 63.100 -0.020 0.000 0.859 235 P CB -0.224 31.462 31.700 -0.023 0.000 0.786 236 V N -2.064 117.831 119.914 -0.032 0.000 2.427 236 V HA -0.182 3.938 4.120 0.001 0.000 0.248 236 V C 2.558 178.636 176.094 -0.027 0.000 1.051 236 V CA 1.407 63.679 62.300 -0.046 0.000 1.048 236 V CB -2.040 29.756 31.823 -0.046 0.000 0.666 236 V HN -0.083 nan 8.190 nan 0.000 0.456 237 L N 0.859 122.077 121.223 -0.007 0.000 2.017 237 L HA -0.140 4.201 4.340 0.001 0.000 0.208 237 L C 2.649 179.523 176.870 0.007 0.000 1.073 237 L CA 2.583 57.427 54.840 0.007 0.000 0.745 237 L CB -0.821 41.245 42.059 0.012 0.000 0.894 237 L HN 0.504 nan 8.230 nan 0.000 0.432 238 E N -0.961 119.238 120.200 -0.001 0.000 2.150 238 E HA -0.198 4.153 4.350 0.001 0.000 0.193 238 E C 2.046 178.644 176.600 -0.004 0.000 0.985 238 E CA 0.898 57.298 56.400 -0.000 0.000 0.814 238 E CB -0.070 29.628 29.700 -0.004 0.000 0.752 238 E HN 0.635 nan 8.360 nan 0.000 0.466 239 A N 0.801 123.608 122.820 -0.021 0.000 1.855 239 A HA -0.158 4.162 4.320 0.001 0.000 0.215 239 A C 2.412 179.987 177.584 -0.016 0.000 1.191 239 A CA 1.837 53.850 52.037 -0.039 0.000 0.613 239 A CB -0.946 18.002 19.000 -0.087 0.000 0.829 239 A HN 0.293 nan 8.150 nan 0.000 0.442 240 V N -2.459 117.456 119.914 0.001 0.000 2.667 240 V HA 0.039 4.160 4.120 0.001 0.000 0.252 240 V C 2.463 178.626 176.094 0.116 0.000 1.065 240 V CA 1.620 63.983 62.300 0.105 0.000 1.083 240 V CB -1.401 30.516 31.823 0.156 0.000 0.692 240 V HN 0.520 nan 8.190 nan 0.000 0.468 241 A N 1.045 123.902 122.820 0.063 0.000 1.877 241 A HA -0.169 4.151 4.320 0.001 0.000 0.216 241 A C 2.336 179.949 177.584 0.048 0.000 1.186 241 A CA 2.226 54.292 52.037 0.049 0.000 0.620 241 A CB -0.536 18.482 19.000 0.030 0.000 0.822 241 A HN 0.610 nan 8.150 nan 0.000 0.443 242 K N -0.552 119.872 120.400 0.041 0.000 2.296 242 K HA 0.163 4.484 4.320 0.001 0.000 0.200 242 K C 1.978 178.611 176.600 0.055 0.000 1.048 242 K CA 0.731 57.040 56.287 0.036 0.000 0.966 242 K CB -0.122 32.391 32.500 0.020 0.000 0.754 242 K HN 0.419 nan 8.250 nan 0.000 0.466 243 A N 0.872 123.745 122.820 0.089 0.000 2.119 243 A HA 0.136 4.457 4.320 0.001 0.000 0.216 243 A C 1.288 178.968 177.584 0.159 0.000 1.152 243 A CA 0.901 53.029 52.037 0.151 0.000 0.708 243 A CB -0.280 18.859 19.000 0.231 0.000 0.805 243 A HN 0.369 nan 8.150 nan 0.000 0.460 244 G N -0.594 108.278 108.800 0.119 0.000 2.248 244 G HA2 -0.183 3.777 3.960 0.001 0.000 0.252 244 G HA3 -0.183 3.777 3.960 0.001 0.000 0.252 244 G C -0.198 174.718 174.900 0.026 0.000 1.085 244 G CA 0.411 45.547 45.100 0.060 0.000 0.845 244 G HN 0.589 nan 8.290 nan 0.000 0.494 245 K N -0.456 119.978 120.400 0.057 0.000 2.512 245 K HA 0.528 4.849 4.320 0.001 0.000 0.263 245 K C -2.764 173.850 176.600 0.023 0.000 0.966 245 K CA -2.178 54.080 56.287 -0.047 0.000 0.851 245 K CB 2.537 34.833 32.500 -0.341 0.000 1.395 245 K HN -0.026 nan 8.250 nan 0.000 0.440 246 P HA 0.016 nan 4.420 nan 0.000 0.269 246 P C -1.109 176.212 177.300 0.036 0.000 1.217 246 P CA -0.382 62.711 63.100 -0.010 0.000 0.783 246 P CB 0.459 32.131 31.700 -0.047 0.000 0.898 247 L N 3.074 124.314 121.223 0.029 0.000 2.439 247 L HA 0.385 4.725 4.340 0.001 0.000 0.270 247 L C -1.635 175.221 176.870 -0.023 0.000 0.972 247 L CA -0.760 54.121 54.840 0.068 0.000 0.836 247 L CB 1.583 43.697 42.059 0.093 0.000 1.255 247 L HN 0.270 nan 8.230 nan 0.000 0.404 248 L N 6.779 127.998 121.223 -0.007 0.000 2.255 248 L HA 0.460 4.800 4.340 0.001 0.000 0.289 248 L C -0.389 176.480 176.870 -0.002 0.000 1.046 248 L CA -0.282 54.532 54.840 -0.044 0.000 0.816 248 L CB 1.152 43.201 42.059 -0.016 0.000 1.197 248 L HN 0.576 nan 8.230 nan 0.000 0.427 249 I N 6.114 126.674 120.570 -0.018 0.000 2.395 249 I HA 0.296 4.466 4.170 0.001 0.000 0.289 249 I C 0.157 176.307 176.117 0.055 0.000 1.023 249 I CA -0.292 61.022 61.300 0.023 0.000 1.350 249 I CB 1.258 39.274 38.000 0.027 0.000 1.409 249 I HN 0.437 nan 8.210 nan 0.000 0.507 250 I N 5.807 126.415 120.570 0.064 0.000 2.378 250 I HA 0.695 4.866 4.170 0.001 0.000 0.291 250 I C 0.089 176.238 176.117 0.054 0.000 0.992 250 I CA -0.308 61.040 61.300 0.079 0.000 1.154 250 I CB 1.708 39.759 38.000 0.084 0.000 1.315 250 I HN 0.664 nan 8.210 nan 0.000 0.448 251 A N 4.704 127.560 122.820 0.059 0.000 2.564 251 A HA 0.496 4.817 4.320 0.001 0.000 0.288 251 A C 0.496 178.105 177.584 0.042 0.000 1.164 251 A CA -0.545 51.519 52.037 0.045 0.000 0.712 251 A CB 1.297 20.329 19.000 0.053 0.000 1.303 251 A HN 0.750 nan 8.150 nan 0.000 0.418 252 E N -0.285 119.936 120.200 0.035 0.000 2.077 252 E HA -0.094 4.256 4.350 0.001 0.000 0.193 252 E C -0.319 176.312 176.600 0.051 0.000 0.989 252 E CA 1.547 57.971 56.400 0.039 0.000 0.800 252 E CB 0.152 29.873 29.700 0.036 0.000 0.746 252 E HN 0.568 nan 8.360 nan 0.000 0.452 253 D N -1.966 118.466 120.400 0.053 0.000 2.710 253 D HA 0.172 4.813 4.640 0.001 0.000 0.276 253 D C -1.807 174.530 176.300 0.061 0.000 1.267 253 D CA -0.471 53.565 54.000 0.060 0.000 0.772 253 D CB 2.046 42.876 40.800 0.051 0.000 1.299 253 D HN -0.226 nan 8.370 nan 0.000 0.421 254 V N 1.939 121.895 119.914 0.070 0.000 2.444 254 V HA 0.422 4.543 4.120 0.001 0.000 0.294 254 V C 0.188 176.318 176.094 0.060 0.000 1.022 254 V CA -0.667 61.675 62.300 0.070 0.000 0.850 254 V CB 1.578 33.456 31.823 0.093 0.000 0.992 254 V HN 0.379 nan 8.190 nan 0.000 0.426 255 E N 2.704 122.933 120.200 0.048 0.000 2.267 255 E HA 0.423 4.773 4.350 0.001 0.000 0.258 255 E C 1.329 177.952 176.600 0.038 0.000 1.074 255 E CA -0.192 56.231 56.400 0.039 0.000 0.915 255 E CB 1.224 30.943 29.700 0.031 0.000 1.186 255 E HN 0.679 nan 8.360 nan 0.000 0.439 256 G N 0.441 109.260 108.800 0.031 0.000 2.442 256 G HA2 -0.333 3.627 3.960 0.001 0.000 0.219 256 G HA3 -0.333 3.627 3.960 0.001 0.000 0.219 256 G C 1.313 176.231 174.900 0.030 0.000 1.141 256 G CA 1.084 46.202 45.100 0.029 0.000 0.763 256 G HN 0.623 nan 8.290 nan 0.000 0.554 257 E N 0.161 120.378 120.200 0.027 0.000 2.076 257 E HA 0.091 4.442 4.350 0.001 0.000 0.190 257 E C 2.828 179.446 176.600 0.031 0.000 0.979 257 E CA 0.762 57.177 56.400 0.025 0.000 0.807 257 E CB -0.184 29.529 29.700 0.020 0.000 0.761 257 E HN 0.323 nan 8.360 nan 0.000 0.454 258 A N 1.339 124.181 122.820 0.036 0.000 1.877 258 A HA -0.169 4.151 4.320 0.001 0.000 0.216 258 A C 2.196 179.816 177.584 0.059 0.000 1.186 258 A CA 1.238 53.302 52.037 0.045 0.000 0.620 258 A CB -0.773 18.255 19.000 0.047 0.000 0.822 258 A HN 0.412 nan 8.150 nan 0.000 0.443 259 L N -0.680 120.580 121.223 0.062 0.000 2.017 259 L HA -0.130 4.210 4.340 0.001 0.000 0.208 259 L C 2.847 179.755 176.870 0.064 0.000 1.073 259 L CA 1.620 56.505 54.840 0.075 0.000 0.745 259 L CB -0.394 41.705 42.059 0.068 0.000 0.894 259 L HN 0.386 nan 8.230 nan 0.000 0.432 260 A N -0.427 122.421 122.820 0.046 0.000 1.883 260 A HA -0.265 4.056 4.320 0.001 0.000 0.217 260 A C 2.347 179.949 177.584 0.029 0.000 1.186 260 A CA 2.571 54.628 52.037 0.034 0.000 0.624 260 A CB -1.339 17.676 19.000 0.025 0.000 0.822 260 A HN 0.629 nan 8.150 nan 0.000 0.444 261 T N -1.349 113.224 114.554 0.031 0.000 2.821 261 T HA -0.036 4.314 4.350 0.001 0.000 0.267 261 T C 1.818 176.540 174.700 0.037 0.000 1.046 261 T CA 1.384 63.500 62.100 0.026 0.000 1.139 261 T CB -0.530 68.353 68.868 0.025 0.000 0.871 261 T HN 0.296 nan 8.240 nan 0.000 0.454 262 L N 0.580 121.841 121.223 0.063 0.000 2.093 262 L HA -0.007 4.333 4.340 0.001 0.000 0.208 262 L C 2.935 179.866 176.870 0.101 0.000 1.085 262 L CA 0.644 55.543 54.840 0.099 0.000 0.755 262 L CB -0.630 41.517 42.059 0.147 0.000 0.904 262 L HN 0.156 nan 8.230 nan 0.000 0.435 263 V N -0.572 119.385 119.914 0.073 0.000 2.343 263 V HA -0.253 3.867 4.120 0.001 0.000 0.247 263 V C 2.435 178.484 176.094 -0.076 0.000 1.051 263 V CA 1.533 63.846 62.300 0.021 0.000 1.036 263 V CB -0.182 31.670 31.823 0.049 0.000 0.654 263 V HN 0.193 nan 8.190 nan 0.000 0.451 264 V N 0.434 120.320 119.914 -0.047 0.000 2.407 264 V HA -0.236 3.885 4.120 0.001 0.000 0.248 264 V C 2.276 178.333 176.094 -0.062 0.000 1.055 264 V CA 2.079 64.339 62.300 -0.068 0.000 1.049 264 V CB -0.803 31.000 31.823 -0.033 0.000 0.662 264 V HN 0.599 nan 8.190 nan 0.000 0.455 265 N N -0.036 118.651 118.700 -0.020 0.000 2.512 265 N HA -0.105 4.635 4.740 0.001 0.000 0.183 265 N C 1.725 177.230 175.510 -0.008 0.000 1.073 265 N CA 1.702 54.750 53.050 -0.005 0.000 0.911 265 N CB 0.269 38.771 38.487 0.024 0.000 0.964 265 N HN 0.762 nan 8.380 nan 0.000 0.447 266 T N -2.136 112.397 114.554 -0.035 0.000 3.087 266 T HA 0.112 4.463 4.350 0.001 0.000 0.237 266 T C 1.284 175.857 174.700 -0.212 0.000 0.990 266 T CA -0.300 61.776 62.100 -0.041 0.000 1.160 266 T CB -0.300 68.629 68.868 0.103 0.000 0.923 266 T HN 0.157 nan 8.240 nan 0.000 0.442 267 M N 2.041 121.346 119.600 -0.491 0.000 2.522 267 M HA 0.431 4.912 4.480 0.001 0.000 0.333 267 M C 0.498 176.614 176.300 -0.307 0.000 1.632 267 M CA -0.038 54.838 55.300 -0.706 0.000 1.293 267 M CB -0.161 31.682 32.600 -1.262 0.000 1.857 267 M HN 0.359 nan 8.290 nan 0.000 0.456 268 R N 2.159 122.549 120.500 -0.182 0.000 3.863 268 R HA -0.161 4.179 4.340 0.001 0.000 0.313 268 R C 0.208 176.464 176.300 -0.075 0.000 1.202 268 R CA 0.737 56.781 56.100 -0.093 0.000 0.852 268 R CB -1.760 28.494 30.300 -0.076 0.000 1.292 268 R HN 1.108 nan 8.270 nan 0.000 0.519 269 G N -0.317 108.435 108.800 -0.080 0.000 3.137 269 G HA2 0.516 4.477 3.960 0.001 0.000 0.163 269 G HA3 0.516 4.477 3.960 0.001 0.000 0.163 269 G C 0.928 175.814 174.900 -0.025 0.000 1.602 269 G CA 0.210 45.279 45.100 -0.052 0.000 1.067 269 G HN 0.138 nan 8.290 nan 0.000 0.568 270 I N -1.526 119.038 120.570 -0.010 0.000 3.626 270 I HA 0.179 4.350 4.170 0.001 0.000 0.256 270 I C -0.184 175.941 176.117 0.013 0.000 1.105 270 I CA 0.031 61.332 61.300 0.001 0.000 1.656 270 I CB 0.266 38.267 38.000 0.002 0.000 1.672 270 I HN -0.029 nan 8.210 nan 0.000 0.421 271 V N 2.414 122.340 119.914 0.021 0.000 2.498 271 V HA 0.118 4.238 4.120 0.001 0.000 0.279 271 V C 0.530 176.648 176.094 0.040 0.000 1.048 271 V CA -0.310 62.008 62.300 0.029 0.000 0.967 271 V CB 1.098 32.939 31.823 0.030 0.000 0.988 271 V HN 0.262 nan 8.190 nan 0.000 0.473 272 K N 3.412 123.834 120.400 0.035 0.000 3.025 272 K HA 0.128 4.449 4.320 0.001 0.000 0.260 272 K C 0.116 176.723 176.600 0.011 0.000 1.023 272 K CA -0.192 56.115 56.287 0.034 0.000 1.194 272 K CB -0.518 31.995 32.500 0.022 0.000 1.094 272 K HN 0.730 nan 8.250 nan 0.000 0.460 273 V N -1.601 118.321 119.914 0.014 0.000 2.963 273 V HA 0.559 4.680 4.120 0.001 0.000 0.306 273 V C 0.215 176.144 176.094 -0.275 0.000 1.077 273 V CA -0.595 61.670 62.300 -0.058 0.000 1.124 273 V CB 1.163 32.986 31.823 0.000 0.000 0.987 273 V HN 0.222 nan 8.190 nan 0.000 0.487 274 A N 2.779 125.278 122.820 -0.535 0.000 2.527 274 A HA 1.070 5.390 4.320 0.001 0.000 0.293 274 A C -0.289 176.826 177.584 -0.782 0.000 1.117 274 A CA -0.401 50.845 52.037 -1.318 0.000 0.723 274 A CB 1.827 20.345 19.000 -0.803 0.000 1.313 274 A HN 2.524 nan 8.150 nan 0.000 0.411 275 A N -0.452 121.943 122.820 -0.708 0.000 2.604 275 A HA 0.832 5.153 4.320 0.001 0.000 0.295 275 A C -0.666 177.028 177.584 0.183 0.000 1.067 275 A CA 0.069 52.086 52.037 -0.034 0.000 0.683 275 A CB 0.977 20.072 19.000 0.159 0.000 1.281 275 A HN 2.407 nan 8.150 nan 0.000 0.407 276 V N -1.643 118.370 119.914 0.164 0.000 3.182 276 V HA 0.757 4.877 4.120 0.001 0.000 0.308 276 V C -0.767 175.433 176.094 0.177 0.000 1.240 276 V CA -1.203 61.214 62.300 0.194 0.000 1.063 276 V CB 1.620 33.559 31.823 0.195 0.000 1.076 276 V HN 0.943 nan 8.190 nan 0.000 0.446 277 K N 0.970 121.479 120.400 0.181 0.000 2.139 277 K HA 0.846 5.167 4.320 0.001 0.000 0.243 277 K C -0.079 176.609 176.600 0.148 0.000 0.983 277 K CA -0.167 56.206 56.287 0.143 0.000 0.890 277 K CB 1.870 34.439 32.500 0.115 0.000 1.090 277 K HN 1.118 nan 8.250 nan 0.000 0.445 278 A N 2.286 125.134 122.820 0.046 0.000 2.351 278 A HA 0.359 4.680 4.320 0.001 0.000 0.257 278 A C -2.126 175.374 177.584 -0.140 0.000 1.087 278 A CA -1.182 50.799 52.037 -0.093 0.000 0.798 278 A CB -0.340 18.615 19.000 -0.075 0.000 1.033 278 A HN 0.463 nan 8.150 nan 0.000 0.488 279 P HA 0.497 nan 4.420 nan 0.000 0.279 279 P C 0.518 177.743 177.300 -0.125 0.000 1.252 279 P CA 1.155 64.097 63.100 -0.263 0.000 0.811 279 P CB 0.941 32.316 31.700 -0.543 0.000 1.035 280 G N 1.005 109.799 108.800 -0.010 0.000 2.741 280 G HA2 0.019 3.980 3.960 0.001 0.000 0.222 280 G HA3 0.019 3.980 3.960 0.001 0.000 0.222 280 G C -1.038 173.937 174.900 0.125 0.000 1.364 280 G CA -0.157 44.922 45.100 -0.035 0.000 0.866 280 G HN 0.758 nan 8.290 nan 0.000 0.555 281 F N -2.705 117.265 119.950 0.033 0.000 2.650 281 F HA 0.706 5.234 4.527 0.001 0.000 0.310 281 F C 0.924 176.739 175.800 0.024 0.000 1.112 281 F CA 0.153 58.168 58.000 0.025 0.000 0.986 281 F CB 0.995 40.012 39.000 0.028 0.000 1.285 281 F HN 2.442 nan 8.300 nan 0.000 0.440 282 G N 2.471 111.384 108.800 0.189 0.000 2.583 282 G HA2 -0.403 3.558 3.960 0.001 0.000 0.292 282 G HA3 -0.403 3.558 3.960 0.001 0.000 0.292 282 G C 0.311 175.216 174.900 0.009 0.000 1.203 282 G CA 0.930 46.090 45.100 0.100 0.000 0.987 282 G HN 0.923 nan 8.290 nan 0.000 0.554 283 D N 0.572 120.966 120.400 -0.010 0.000 2.182 283 D HA 0.001 4.642 4.640 0.001 0.000 0.201 283 D C 2.483 178.741 176.300 -0.070 0.000 0.986 283 D CA 1.481 55.462 54.000 -0.031 0.000 0.847 283 D CB -0.090 40.697 40.800 -0.021 0.000 0.942 283 D HN 0.318 nan 8.370 nan 0.000 0.467 284 R N 0.627 121.050 120.500 -0.129 0.000 2.139 284 R HA -0.114 4.227 4.340 0.001 0.000 0.243 284 R C 2.048 178.273 176.300 -0.126 0.000 1.145 284 R CA 1.149 57.150 56.100 -0.165 0.000 0.976 284 R CB -0.511 29.610 30.300 -0.298 0.000 0.866 284 R HN 0.415 nan 8.270 nan 0.000 0.449 285 R N 0.677 121.121 120.500 -0.094 0.000 2.096 285 R HA -0.073 4.268 4.340 0.001 0.000 0.235 285 R C 1.337 177.597 176.300 -0.066 0.000 1.127 285 R CA 1.187 57.242 56.100 -0.076 0.000 0.968 285 R CB -0.253 30.022 30.300 -0.041 0.000 0.861 285 R HN -0.008 nan 8.270 nan 0.000 0.440 286 K N 1.169 121.538 120.400 -0.052 0.000 2.020 286 K HA -0.122 4.199 4.320 0.001 0.000 0.212 286 K C 2.262 178.833 176.600 -0.048 0.000 1.050 286 K CA 1.796 58.058 56.287 -0.042 0.000 0.929 286 K CB -0.572 31.908 32.500 -0.033 0.000 0.714 286 K HN 0.362 nan 8.250 nan 0.000 0.443 287 A N 1.686 124.471 122.820 -0.059 0.000 1.855 287 A HA -0.104 4.216 4.320 0.001 0.000 0.215 287 A C 2.335 179.877 177.584 -0.069 0.000 1.191 287 A CA 1.520 53.521 52.037 -0.060 0.000 0.613 287 A CB -0.392 18.569 19.000 -0.067 0.000 0.829 287 A HN 0.145 nan 8.150 nan 0.000 0.442 288 M N -1.309 118.235 119.600 -0.093 0.000 2.159 288 M HA -0.101 4.380 4.480 0.001 0.000 0.263 288 M C 2.217 178.449 176.300 -0.112 0.000 1.063 288 M CA 1.240 56.470 55.300 -0.117 0.000 1.110 288 M CB -0.856 31.644 32.600 -0.167 0.000 1.374 288 M HN 0.428 nan 8.290 nan 0.000 0.411 289 L N 0.310 121.474 121.223 -0.097 0.000 2.141 289 L HA -0.175 4.165 4.340 0.001 0.000 0.209 289 L C 2.461 179.304 176.870 -0.046 0.000 1.094 289 L CA 1.681 56.477 54.840 -0.075 0.000 0.763 289 L CB -0.566 41.457 42.059 -0.060 0.000 0.908 289 L HN 0.263 nan 8.230 nan 0.000 0.437 290 Q N -0.647 119.128 119.800 -0.041 0.000 2.119 290 Q HA -0.187 4.154 4.340 0.001 0.000 0.201 290 Q C 1.733 177.719 176.000 -0.023 0.000 0.972 290 Q CA 1.733 57.520 55.803 -0.027 0.000 0.847 290 Q CB -0.026 28.696 28.738 -0.027 0.000 0.903 290 Q HN 0.502 nan 8.270 nan 0.000 0.433 291 D N -0.085 120.297 120.400 -0.031 0.000 2.097 291 D HA -0.156 4.484 4.640 0.001 0.000 0.195 291 D C 1.828 178.124 176.300 -0.006 0.000 0.989 291 D CA 1.269 55.256 54.000 -0.021 0.000 0.827 291 D CB -0.163 40.620 40.800 -0.029 0.000 0.966 291 D HN 0.364 nan 8.370 nan 0.000 0.456 292 I N 1.415 121.978 120.570 -0.011 0.000 2.226 292 I HA -0.251 3.920 4.170 0.001 0.000 0.245 292 I C 2.563 178.692 176.117 0.020 0.000 1.100 292 I CA 0.996 62.305 61.300 0.015 0.000 1.374 292 I CB -0.231 37.773 38.000 0.006 0.000 1.057 292 I HN -0.084 nan 8.210 nan 0.000 0.413 293 A N 0.487 123.311 122.820 0.006 0.000 1.908 293 A HA -0.212 4.108 4.320 0.001 0.000 0.218 293 A C 2.392 179.982 177.584 0.011 0.000 1.181 293 A CA 2.542 54.584 52.037 0.008 0.000 0.627 293 A CB -1.124 17.875 19.000 -0.001 0.000 0.818 293 A HN 0.406 nan 8.150 nan 0.000 0.445 294 T N -0.068 114.489 114.554 0.006 0.000 2.777 294 T HA -0.101 4.250 4.350 0.001 0.000 0.266 294 T C 1.821 176.529 174.700 0.013 0.000 1.040 294 T CA 1.424 63.528 62.100 0.006 0.000 1.141 294 T CB -0.315 68.553 68.868 0.001 0.000 0.868 294 T HN 0.306 nan 8.240 nan 0.000 0.444 295 L N 1.917 123.150 121.223 0.018 0.000 2.056 295 L HA -0.020 4.321 4.340 0.001 0.000 0.207 295 L C 2.553 179.442 176.870 0.031 0.000 1.078 295 L CA 2.078 56.933 54.840 0.025 0.000 0.749 295 L CB -1.087 40.991 42.059 0.032 0.000 0.901 295 L HN 0.408 nan 8.230 nan 0.000 0.433 296 T N -4.225 110.350 114.554 0.036 0.000 3.067 296 T HA 0.273 4.623 4.350 0.001 0.000 0.257 296 T C 1.497 176.223 174.700 0.043 0.000 1.105 296 T CA 0.406 62.533 62.100 0.044 0.000 1.104 296 T CB -0.238 68.663 68.868 0.055 0.000 0.925 296 T HN 0.636 nan 8.240 nan 0.000 0.498 297 G N 0.839 109.658 108.800 0.032 0.000 2.136 297 G HA2 -0.039 3.922 3.960 0.001 0.000 0.242 297 G HA3 -0.039 3.922 3.960 0.001 0.000 0.242 297 G C 0.391 175.306 174.900 0.024 0.000 0.989 297 G CA -0.111 45.005 45.100 0.028 0.000 0.682 297 G HN 1.008 nan 8.290 nan 0.000 0.522 298 G N -1.164 107.651 108.800 0.024 0.000 2.547 298 G HA2 0.638 4.599 3.960 0.001 0.000 0.291 298 G HA3 0.638 4.599 3.960 0.001 0.000 0.291 298 G C 0.028 174.930 174.900 0.004 0.000 1.211 298 G CA 0.468 45.577 45.100 0.016 0.000 0.950 298 G HN 0.531 nan 8.290 nan 0.000 0.504 299 T N -0.411 114.141 114.554 -0.003 0.000 2.929 299 T HA 0.477 4.828 4.350 0.001 0.000 0.284 299 T C 0.233 174.930 174.700 -0.006 0.000 1.014 299 T CA -0.337 61.759 62.100 -0.007 0.000 1.051 299 T CB 1.561 70.421 68.868 -0.012 0.000 1.028 299 T HN 0.792 nan 8.240 nan 0.000 0.485 300 V N 0.908 120.818 119.914 -0.008 0.000 2.407 300 V HA 0.727 4.848 4.120 0.001 0.000 0.278 300 V C -0.693 175.396 176.094 -0.008 0.000 1.037 300 V CA -0.787 61.508 62.300 -0.009 0.000 0.900 300 V CB 0.348 32.163 31.823 -0.012 0.000 0.983 300 V HN 0.658 nan 8.190 nan 0.000 0.459 301 I N 4.661 125.227 120.570 -0.006 0.000 2.441 301 I HA 0.791 4.962 4.170 0.001 0.000 0.295 301 I C 0.172 176.287 176.117 -0.003 0.000 0.994 301 I CA 0.373 61.669 61.300 -0.005 0.000 1.144 301 I CB 2.118 40.115 38.000 -0.005 0.000 1.314 301 I HN 0.943 nan 8.210 nan 0.000 0.445 302 S N 3.640 119.338 115.700 -0.003 0.000 2.556 302 S HA 0.209 4.679 4.470 0.001 0.000 0.280 302 S C 0.225 174.825 174.600 -0.001 0.000 1.141 302 S CA -0.973 57.226 58.200 -0.001 0.000 0.883 302 S CB 1.573 64.771 63.200 -0.003 0.000 1.103 302 S HN 0.667 nan 8.310 nan 0.000 0.453 303 E N 1.256 121.456 120.200 0.001 0.000 2.472 303 E HA -0.114 4.236 4.350 0.001 0.000 0.200 303 E C 0.472 177.073 176.600 0.001 0.000 1.046 303 E CA 0.750 57.151 56.400 0.001 0.000 0.871 303 E CB -0.154 29.548 29.700 0.003 0.000 0.806 303 E HN 0.788 nan 8.360 nan 0.000 0.533 304 E N 0.388 120.588 120.200 0.000 0.000 2.482 304 E HA 0.060 4.410 4.350 0.001 0.000 0.196 304 E C 1.631 178.229 176.600 -0.002 0.000 1.047 304 E CA 0.313 56.712 56.400 -0.001 0.000 0.869 304 E CB 0.086 29.785 29.700 -0.001 0.000 0.836 304 E HN 0.411 nan 8.360 nan 0.000 0.520 305 I N -1.334 119.234 120.570 -0.003 0.000 4.032 305 I HA 0.167 4.338 4.170 0.001 0.000 0.313 305 I C 1.234 177.349 176.117 -0.004 0.000 1.272 305 I CA 0.359 61.657 61.300 -0.004 0.000 1.307 305 I CB 1.011 39.008 38.000 -0.005 0.000 1.155 305 I HN 0.102 nan 8.210 nan 0.000 0.431 306 G N 2.408 111.206 108.800 -0.003 0.000 2.155 306 G HA2 -0.113 3.847 3.960 0.001 0.000 0.135 306 G HA3 -0.113 3.847 3.960 0.001 0.000 0.135 306 G C -0.018 174.880 174.900 -0.003 0.000 1.023 306 G CA 0.029 45.127 45.100 -0.002 0.000 0.688 306 G HN 0.306 nan 8.290 nan 0.000 0.499 307 M N -1.943 117.655 119.600 -0.003 0.000 2.569 307 M HA 0.908 5.389 4.480 0.001 0.000 0.279 307 M C -1.123 175.176 176.300 -0.002 0.000 1.253 307 M CA -1.027 54.270 55.300 -0.004 0.000 0.867 307 M CB 1.841 34.438 32.600 -0.006 0.000 1.727 307 M HN -0.035 nan 8.290 nan 0.000 0.467 308 E N 0.591 120.790 120.200 -0.003 0.000 2.408 308 E HA 0.455 4.805 4.350 0.001 0.000 0.275 308 E C -0.360 176.239 176.600 -0.003 0.000 0.935 308 E CA -0.801 55.599 56.400 -0.001 0.000 0.775 308 E CB 3.011 32.711 29.700 0.001 0.000 1.277 308 E HN 0.747 nan 8.360 nan 0.000 0.455 309 L N 1.046 122.268 121.223 -0.001 0.000 2.395 309 L HA -0.042 4.298 4.340 0.001 0.000 0.218 309 L C 2.216 179.083 176.870 -0.005 0.000 1.130 309 L CA 0.753 55.591 54.840 -0.003 0.000 0.826 309 L CB -0.142 41.917 42.059 0.001 0.000 0.941 309 L HN 0.699 nan 8.230 nan 0.000 0.451 310 E N 0.987 121.186 120.200 -0.002 0.000 2.284 310 E HA -0.272 4.079 4.350 0.001 0.000 0.200 310 E C 1.407 178.002 176.600 -0.008 0.000 1.008 310 E CA 1.358 57.756 56.400 -0.004 0.000 0.829 310 E CB 0.252 29.952 29.700 -0.001 0.000 0.744 310 E HN 0.318 nan 8.360 nan 0.000 0.491 311 K N -0.078 120.317 120.400 -0.009 0.000 2.367 311 K HA 0.254 4.575 4.320 0.001 0.000 0.194 311 K C 0.076 176.665 176.600 -0.017 0.000 1.027 311 K CA 0.464 56.744 56.287 -0.012 0.000 1.075 311 K CB 0.808 33.303 32.500 -0.010 0.000 0.845 311 K HN 0.115 nan 8.250 nan 0.000 0.529 312 A N 1.067 123.876 122.820 -0.019 0.000 2.511 312 A HA 0.298 4.619 4.320 0.001 0.000 0.242 312 A C 0.053 177.615 177.584 -0.038 0.000 1.069 312 A CA 0.338 52.358 52.037 -0.027 0.000 0.763 312 A CB 0.067 19.052 19.000 -0.026 0.000 1.001 312 A HN 0.179 nan 8.150 nan 0.000 0.498 313 T N 2.038 116.564 114.554 -0.047 0.000 2.926 313 T HA 0.405 4.755 4.350 0.001 0.000 0.289 313 T C 1.222 175.871 174.700 -0.085 0.000 1.054 313 T CA -0.580 61.486 62.100 -0.057 0.000 1.015 313 T CB 1.003 69.846 68.868 -0.043 0.000 1.167 313 T HN 0.343 nan 8.240 nan 0.000 0.526 314 L N 1.296 122.458 121.223 -0.101 0.000 2.137 314 L HA -0.151 4.189 4.340 0.001 0.000 0.213 314 L C 2.476 179.248 176.870 -0.164 0.000 1.085 314 L CA 1.819 56.565 54.840 -0.157 0.000 0.760 314 L CB -0.837 41.145 42.059 -0.130 0.000 0.893 314 L HN 0.834 nan 8.230 nan 0.000 0.434 315 E N -1.882 118.257 120.200 -0.101 0.000 2.435 315 E HA -0.131 4.220 4.350 0.001 0.000 0.195 315 E C 0.996 177.558 176.600 -0.064 0.000 1.029 315 E CA 0.683 57.038 56.400 -0.074 0.000 0.865 315 E CB -0.236 29.438 29.700 -0.045 0.000 0.833 315 E HN 0.448 nan 8.360 nan 0.000 0.510 316 D N 0.755 121.113 120.400 -0.069 0.000 2.347 316 D HA 0.007 4.647 4.640 0.001 0.000 0.215 316 D C 0.111 176.382 176.300 -0.048 0.000 0.976 316 D CA 0.332 54.303 54.000 -0.049 0.000 0.884 316 D CB 0.150 40.924 40.800 -0.043 0.000 0.915 316 D HN 0.163 nan 8.370 nan 0.000 0.526 317 L N 0.644 121.815 121.223 -0.086 0.000 2.426 317 L HA 0.302 4.642 4.340 0.001 0.000 0.271 317 L C 1.316 178.192 176.870 0.009 0.000 1.169 317 L CA 0.184 54.982 54.840 -0.070 0.000 0.836 317 L CB 0.950 42.860 42.059 -0.248 0.000 1.112 317 L HN -0.175 nan 8.230 nan 0.000 0.465 318 G N 1.824 110.662 108.800 0.064 0.000 2.601 318 G HA2 0.724 4.684 3.960 0.001 0.000 0.317 318 G HA3 0.724 4.684 3.960 0.001 0.000 0.317 318 G C -1.105 173.887 174.900 0.153 0.000 1.246 318 G CA -0.410 44.745 45.100 0.090 0.000 1.012 318 G HN 0.512 nan 8.290 nan 0.000 0.494 319 Q N -1.499 118.371 119.800 0.116 0.000 2.456 319 Q HA 0.613 4.954 4.340 0.001 0.000 0.284 319 Q C -1.081 174.949 176.000 0.050 0.000 1.061 319 Q CA -0.949 54.910 55.803 0.092 0.000 0.799 319 Q CB 2.701 31.491 28.738 0.086 0.000 1.445 319 Q HN 0.782 nan 8.270 nan 0.000 0.411 320 A N 0.801 123.637 122.820 0.027 0.000 2.374 320 A HA 0.430 4.750 4.320 0.001 0.000 0.317 320 A C 0.044 177.625 177.584 -0.005 0.000 1.094 320 A CA -0.589 51.457 52.037 0.015 0.000 0.765 320 A CB 1.173 20.185 19.000 0.019 0.000 1.268 320 A HN 0.767 nan 8.150 nan 0.000 0.438 321 K N 0.141 120.538 120.400 -0.005 0.000 2.097 321 K HA -0.055 4.266 4.320 0.001 0.000 0.206 321 K C 0.598 177.185 176.600 -0.021 0.000 1.049 321 K CA 1.241 57.519 56.287 -0.015 0.000 0.933 321 K CB 0.055 32.549 32.500 -0.010 0.000 0.717 321 K HN 0.607 nan 8.250 nan 0.000 0.442 322 R N -0.318 120.173 120.500 -0.015 0.000 2.771 322 R HA 0.454 4.795 4.340 0.001 0.000 0.274 322 R C -1.817 174.475 176.300 -0.013 0.000 0.987 322 R CA -0.578 55.512 56.100 -0.018 0.000 0.908 322 R CB 2.752 33.042 30.300 -0.017 0.000 1.213 322 R HN -0.130 nan 8.270 nan 0.000 0.468 323 V N 3.163 123.068 119.914 -0.016 0.000 2.808 323 V HA 0.733 4.853 4.120 0.001 0.000 0.308 323 V C -1.411 174.674 176.094 -0.015 0.000 1.099 323 V CA -0.480 61.812 62.300 -0.015 0.000 0.920 323 V CB 2.136 33.954 31.823 -0.008 0.000 1.014 323 V HN 0.585 nan 8.190 nan 0.000 0.425 324 V N 4.622 124.524 119.914 -0.021 0.000 2.841 324 V HA 0.845 4.966 4.120 0.001 0.000 0.310 324 V C -1.250 174.837 176.094 -0.010 0.000 1.090 324 V CA -0.687 61.610 62.300 -0.005 0.000 0.930 324 V CB 1.882 33.705 31.823 -0.001 0.000 1.014 324 V HN 0.780 nan 8.190 nan 0.000 0.425 325 I N 4.735 125.330 120.570 0.042 0.000 2.607 325 I HA 0.558 4.729 4.170 0.001 0.000 0.290 325 I C -0.207 176.010 176.117 0.166 0.000 1.129 325 I CA -0.254 61.087 61.300 0.069 0.000 1.042 325 I CB 2.131 40.205 38.000 0.122 0.000 1.242 325 I HN 0.981 nan 8.210 nan 0.000 0.421 326 N N 5.198 123.960 118.700 0.103 0.000 2.776 326 N HA 0.302 5.043 4.740 0.001 0.000 0.319 326 N C 0.851 176.256 175.510 -0.175 0.000 1.316 326 N CA -0.632 52.499 53.050 0.135 0.000 0.890 326 N CB 0.604 39.145 38.487 0.090 0.000 1.165 326 N HN 0.576 nan 8.380 nan 0.000 0.596 327 K N -0.856 119.393 120.400 -0.251 0.000 2.173 327 K HA -0.204 4.116 4.320 0.001 0.000 0.207 327 K C -0.585 175.764 176.600 -0.418 0.000 1.046 327 K CA 2.487 58.459 56.287 -0.525 0.000 0.929 327 K CB -0.250 32.131 32.500 -0.198 0.000 0.720 327 K HN 0.771 nan 8.250 nan 0.000 0.453 328 D N -2.045 118.214 120.400 -0.234 0.000 2.848 328 D HA 0.110 4.751 4.640 0.001 0.000 0.303 328 D C -0.899 175.357 176.300 -0.073 0.000 1.665 328 D CA -0.445 53.476 54.000 -0.133 0.000 0.807 328 D CB 0.405 41.147 40.800 -0.096 0.000 1.288 328 D HN -0.087 nan 8.370 nan 0.000 0.441 329 T N -0.414 114.084 114.554 -0.093 0.000 3.087 329 T HA 0.528 4.878 4.350 0.001 0.000 0.351 329 T C -1.245 173.349 174.700 -0.177 0.000 1.520 329 T CA -0.389 61.646 62.100 -0.107 0.000 1.111 329 T CB 2.160 70.999 68.868 -0.048 0.000 1.353 329 T HN -0.088 nan 8.240 nan 0.000 0.481 330 T N 1.915 116.243 114.554 -0.377 0.000 2.887 330 T HA 0.827 5.178 4.350 0.001 0.000 0.288 330 T C -0.754 173.636 174.700 -0.516 0.000 1.021 330 T CA -0.557 61.253 62.100 -0.484 0.000 1.000 330 T CB 1.921 70.323 68.868 -0.778 0.000 1.034 330 T HN 0.653 nan 8.240 nan 0.000 0.467 331 T N 2.206 116.586 114.554 -0.290 0.000 3.041 331 T HA 0.614 4.965 4.350 0.001 0.000 0.321 331 T C -1.389 173.261 174.700 -0.085 0.000 1.184 331 T CA -0.762 61.230 62.100 -0.180 0.000 1.050 331 T CB 0.424 69.227 68.868 -0.109 0.000 1.159 331 T HN 0.593 nan 8.240 nan 0.000 0.469 332 I N 2.989 123.542 120.570 -0.028 0.000 2.377 332 I HA 0.702 4.872 4.170 0.001 0.000 0.293 332 I C -0.783 175.339 176.117 0.010 0.000 0.987 332 I CA -1.112 60.193 61.300 0.008 0.000 1.185 332 I CB 1.548 39.578 38.000 0.049 0.000 1.341 332 I HN 0.503 nan 8.210 nan 0.000 0.455 333 I N 4.473 125.046 120.570 0.004 0.000 2.418 333 I HA 0.279 4.449 4.170 0.001 0.000 0.287 333 I C -0.601 175.518 176.117 0.004 0.000 1.008 333 I CA -0.501 60.800 61.300 0.001 0.000 1.104 333 I CB 1.488 39.484 38.000 -0.007 0.000 1.264 333 I HN 0.712 nan 8.210 nan 0.000 0.438 334 D N 5.369 125.773 120.400 0.007 0.000 3.205 334 D HA -0.130 4.511 4.640 0.001 0.000 0.227 334 D C 0.391 176.698 176.300 0.011 0.000 1.171 334 D CA 0.915 54.920 54.000 0.007 0.000 0.929 334 D CB -0.107 40.695 40.800 0.002 0.000 0.900 334 D HN 0.846 nan 8.370 nan 0.000 0.404 335 G N 1.116 109.927 108.800 0.018 0.000 2.484 335 G HA2 0.278 4.239 3.960 0.001 0.000 0.235 335 G HA3 0.278 4.239 3.960 0.001 0.000 0.235 335 G C 1.345 176.258 174.900 0.021 0.000 1.282 335 G CA -0.181 44.933 45.100 0.024 0.000 0.857 335 G HN 0.410 nan 8.290 nan 0.000 0.571 336 V N 2.453 122.383 119.914 0.027 0.000 3.646 336 V HA 0.134 4.255 4.120 0.001 0.000 0.277 336 V C 1.908 178.019 176.094 0.029 0.000 1.274 336 V CA 0.428 62.744 62.300 0.027 0.000 1.164 336 V CB -0.683 31.160 31.823 0.034 0.000 0.926 336 V HN 0.822 nan 8.190 nan 0.000 0.442 337 G N 0.928 109.744 108.800 0.027 0.000 2.340 337 G HA2 0.155 4.116 3.960 0.001 0.000 0.245 337 G HA3 0.155 4.116 3.960 0.001 0.000 0.245 337 G C 0.085 174.994 174.900 0.016 0.000 1.294 337 G CA -0.243 44.869 45.100 0.021 0.000 0.896 337 G HN 0.275 nan 8.290 nan 0.000 0.522 338 E N 1.674 121.882 120.200 0.014 0.000 2.437 338 E HA -0.019 4.331 4.350 0.001 0.000 0.263 338 E C 1.236 177.841 176.600 0.008 0.000 1.030 338 E CA -0.233 56.173 56.400 0.011 0.000 0.934 338 E CB 0.803 30.509 29.700 0.009 0.000 0.943 338 E HN 0.546 nan 8.360 nan 0.000 0.444 339 E N 1.508 121.712 120.200 0.007 0.000 2.209 339 E HA -0.181 4.170 4.350 0.001 0.000 0.196 339 E C 1.668 178.270 176.600 0.004 0.000 0.993 339 E CA 1.142 57.545 56.400 0.005 0.000 0.819 339 E CB -0.134 29.569 29.700 0.004 0.000 0.745 339 E HN 0.563 nan 8.360 nan 0.000 0.477 340 A N 1.181 124.003 122.820 0.004 0.000 2.024 340 A HA -0.080 4.240 4.320 0.001 0.000 0.220 340 A C 2.335 179.921 177.584 0.002 0.000 1.164 340 A CA 1.863 53.902 52.037 0.003 0.000 0.643 340 A CB -0.289 18.712 19.000 0.003 0.000 0.806 340 A HN 0.270 nan 8.150 nan 0.000 0.451 341 A N -0.496 122.326 122.820 0.004 0.000 1.943 341 A HA 0.187 4.508 4.320 0.001 0.000 0.213 341 A C 2.060 179.646 177.584 0.004 0.000 1.181 341 A CA 0.994 53.033 52.037 0.003 0.000 0.653 341 A CB -0.368 18.635 19.000 0.005 0.000 0.833 341 A HN 0.436 nan 8.150 nan 0.000 0.451 342 I N -0.319 120.254 120.570 0.005 0.000 2.133 342 I HA -0.227 3.944 4.170 0.001 0.000 0.238 342 I C 2.577 178.695 176.117 0.003 0.000 1.074 342 I CA 1.070 62.373 61.300 0.005 0.000 1.342 342 I CB -0.341 37.664 38.000 0.008 0.000 1.053 342 I HN 0.275 nan 8.210 nan 0.000 0.404 343 Q N 0.741 120.542 119.800 0.002 0.000 2.124 343 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 343 Q C 2.300 178.299 176.000 -0.001 0.000 0.977 343 Q CA 1.714 57.517 55.803 0.001 0.000 0.850 343 Q CB -0.891 27.847 28.738 0.001 0.000 0.901 343 Q HN 0.620 nan 8.270 nan 0.000 0.429 344 G N 0.958 109.758 108.800 -0.001 0.000 2.418 344 G HA2 -0.304 3.656 3.960 0.001 0.000 0.217 344 G HA3 -0.304 3.656 3.960 0.001 0.000 0.217 344 G C 1.707 176.605 174.900 -0.003 0.000 1.158 344 G CA 0.894 45.993 45.100 -0.002 0.000 0.771 344 G HN 0.245 nan 8.290 nan 0.000 0.545 345 R N 0.187 120.685 120.500 -0.003 0.000 2.092 345 R HA 0.038 4.379 4.340 0.001 0.000 0.231 345 R C 2.660 178.956 176.300 -0.006 0.000 1.119 345 R CA 1.128 57.225 56.100 -0.005 0.000 0.970 345 R CB -0.910 29.388 30.300 -0.003 0.000 0.864 345 R HN 0.216 nan 8.270 nan 0.000 0.440 346 V N 0.751 120.663 119.914 -0.004 0.000 2.287 346 V HA -0.281 3.840 4.120 0.001 0.000 0.248 346 V C 2.325 178.415 176.094 -0.007 0.000 1.053 346 V CA 2.081 64.378 62.300 -0.005 0.000 1.027 346 V CB -0.989 30.832 31.823 -0.003 0.000 0.646 346 V HN 0.525 nan 8.190 nan 0.000 0.447 347 A N -0.932 121.885 122.820 -0.006 0.000 1.877 347 A HA -0.291 4.029 4.320 0.001 0.000 0.216 347 A C 2.164 179.744 177.584 -0.008 0.000 1.186 347 A CA 1.947 53.980 52.037 -0.006 0.000 0.620 347 A CB -0.541 18.456 19.000 -0.005 0.000 0.822 347 A HN 0.620 nan 8.150 nan 0.000 0.443 348 Q N -0.604 119.191 119.800 -0.008 0.000 2.152 348 Q HA -0.160 4.181 4.340 0.001 0.000 0.206 348 Q C 1.967 177.959 176.000 -0.013 0.000 0.985 348 Q CA 1.682 57.479 55.803 -0.010 0.000 0.863 348 Q CB -0.369 28.363 28.738 -0.010 0.000 0.904 348 Q HN 0.758 nan 8.270 nan 0.000 0.422 349 I N 0.270 120.832 120.570 -0.014 0.000 2.315 349 I HA -0.247 3.923 4.170 0.001 0.000 0.248 349 I C 2.101 178.208 176.117 -0.017 0.000 1.117 349 I CA 0.614 61.903 61.300 -0.018 0.000 1.404 349 I CB -0.142 37.847 38.000 -0.019 0.000 1.071 349 I HN 0.130 nan 8.210 nan 0.000 0.419 350 R N 0.584 121.076 120.500 -0.013 0.000 2.091 350 R HA -0.232 4.109 4.340 0.001 0.000 0.238 350 R C 1.971 178.264 176.300 -0.012 0.000 1.136 350 R CA 1.277 57.370 56.100 -0.012 0.000 0.959 350 R CB -1.104 29.191 30.300 -0.009 0.000 0.856 350 R HN 0.485 nan 8.270 nan 0.000 0.437 351 Q N 0.628 120.422 119.800 -0.011 0.000 2.515 351 Q HA -0.072 4.269 4.340 0.001 0.000 0.212 351 Q C 0.928 176.921 176.000 -0.012 0.000 0.970 351 Q CA 0.696 56.493 55.803 -0.010 0.000 0.941 351 Q CB 0.249 28.982 28.738 -0.009 0.000 0.998 351 Q HN 0.436 nan 8.270 nan 0.000 0.518 352 Q N -1.290 118.501 119.800 -0.015 0.000 2.246 352 Q HA 0.167 4.508 4.340 0.001 0.000 0.222 352 Q C 1.333 177.321 176.000 -0.019 0.000 0.851 352 Q CA -0.107 55.685 55.803 -0.018 0.000 0.945 352 Q CB 0.720 29.444 28.738 -0.023 0.000 1.122 352 Q HN 0.372 nan 8.270 nan 0.000 0.508 353 I N 1.629 122.188 120.570 -0.018 0.000 2.500 353 I HA -0.220 3.951 4.170 0.001 0.000 0.252 353 I C 2.250 178.359 176.117 -0.013 0.000 1.142 353 I CA 1.112 62.402 61.300 -0.018 0.000 1.451 353 I CB -0.088 37.902 38.000 -0.017 0.000 1.093 353 I HN 0.285 nan 8.210 nan 0.000 0.430 354 E N 1.116 121.310 120.200 -0.011 0.000 2.267 354 E HA -0.272 4.078 4.350 0.001 0.000 0.197 354 E C 1.590 178.186 176.600 -0.007 0.000 0.998 354 E CA 1.184 57.579 56.400 -0.008 0.000 0.830 354 E CB -0.209 29.486 29.700 -0.007 0.000 0.751 354 E HN 0.423 nan 8.360 nan 0.000 0.491 355 E N 1.089 121.284 120.200 -0.008 0.000 2.038 355 E HA -0.120 4.231 4.350 0.001 0.000 0.195 355 E C 1.635 178.233 176.600 -0.004 0.000 1.000 355 E CA 1.828 58.225 56.400 -0.006 0.000 0.803 355 E CB -0.424 29.271 29.700 -0.008 0.000 0.750 355 E HN 0.464 nan 8.360 nan 0.000 0.448 356 A N -0.728 122.089 122.820 -0.006 0.000 3.790 356 A HA -0.313 4.008 4.320 0.001 0.000 0.269 356 A C 1.627 179.212 177.584 0.002 0.000 1.009 356 A CA 2.024 54.059 52.037 -0.003 0.000 1.029 356 A CB -2.720 16.279 19.000 -0.002 0.000 1.060 356 A HN 0.426 nan 8.150 nan 0.000 0.818 357 T N -2.090 112.466 114.554 0.004 0.000 3.427 357 T HA 0.440 4.791 4.350 0.001 0.000 0.256 357 T C 0.399 175.109 174.700 0.018 0.000 1.172 357 T CA 1.159 63.265 62.100 0.010 0.000 1.018 357 T CB -0.401 68.472 68.868 0.008 0.000 0.981 357 T HN 1.824 nan 8.240 nan 0.000 0.555 358 S N -0.934 114.779 115.700 0.022 0.000 2.548 358 S HA 0.317 4.788 4.470 0.001 0.000 0.278 358 S C -0.526 174.102 174.600 0.046 0.000 1.150 358 S CA -0.698 57.526 58.200 0.042 0.000 0.907 358 S CB 1.488 64.719 63.200 0.053 0.000 1.108 358 S HN 0.113 nan 8.310 nan 0.000 0.459 359 D N 1.671 122.112 120.400 0.069 0.000 2.097 359 D HA -0.003 4.637 4.640 0.001 0.000 0.197 359 D C 1.303 177.653 176.300 0.084 0.000 0.984 359 D CA 1.333 55.374 54.000 0.069 0.000 0.826 359 D CB -0.110 40.740 40.800 0.083 0.000 0.973 359 D HN 0.616 nan 8.370 nan 0.000 0.460 360 Y N 1.422 121.730 120.300 0.013 0.000 2.242 360 Y HA -0.134 4.417 4.550 0.001 0.000 0.291 360 Y C 1.223 177.114 175.900 -0.014 0.000 1.137 360 Y CA 1.517 59.627 58.100 0.015 0.000 1.181 360 Y CB -0.134 38.350 38.460 0.041 0.000 0.989 360 Y HN -0.067 nan 8.280 nan 0.000 0.527 361 D N -1.023 119.369 120.400 -0.014 0.000 2.183 361 D HA -0.078 4.563 4.640 0.001 0.000 0.203 361 D C 2.118 178.357 176.300 -0.100 0.000 0.969 361 D CA 0.828 54.776 54.000 -0.087 0.000 0.842 361 D CB -0.119 40.671 40.800 -0.017 0.000 0.957 361 D HN 0.202 nan 8.370 nan 0.000 0.484 362 R N 0.584 121.048 120.500 -0.061 0.000 2.083 362 R HA -0.167 4.173 4.340 0.001 0.000 0.237 362 R C 2.161 178.407 176.300 -0.089 0.000 1.137 362 R CA 1.284 57.351 56.100 -0.056 0.000 0.951 362 R CB -0.120 30.165 30.300 -0.025 0.000 0.851 362 R HN 0.298 nan 8.270 nan 0.000 0.434 363 E N 0.686 120.807 120.200 -0.131 0.000 2.051 363 E HA -0.225 4.126 4.350 0.001 0.000 0.192 363 E C 1.616 178.097 176.600 -0.198 0.000 0.991 363 E CA 1.396 57.700 56.400 -0.161 0.000 0.799 363 E CB 0.177 29.758 29.700 -0.199 0.000 0.748 363 E HN 0.038 nan 8.360 nan 0.000 0.449 364 K N 0.188 120.416 120.400 -0.287 0.000 2.211 364 K HA -0.052 4.269 4.320 0.001 0.000 0.203 364 K C 1.956 178.471 176.600 -0.142 0.000 1.050 364 K CA 0.579 56.722 56.287 -0.239 0.000 0.945 364 K CB -0.020 32.295 32.500 -0.308 0.000 0.732 364 K HN 0.168 nan 8.250 nan 0.000 0.451 365 L N -0.035 121.120 121.223 -0.115 0.000 2.072 365 L HA -0.183 4.157 4.340 0.001 0.000 0.205 365 L C 2.477 179.311 176.870 -0.059 0.000 1.079 365 L CA 1.001 55.796 54.840 -0.075 0.000 0.752 365 L CB -0.298 41.725 42.059 -0.060 0.000 0.906 365 L HN 0.165 nan 8.230 nan 0.000 0.436 366 Q N 0.650 120.413 119.800 -0.061 0.000 2.096 366 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 366 Q C 1.945 177.920 176.000 -0.041 0.000 0.982 366 Q CA 1.800 57.576 55.803 -0.045 0.000 0.850 366 Q CB -0.092 28.620 28.738 -0.043 0.000 0.901 366 Q HN 0.430 nan 8.270 nan 0.000 0.422 367 E N -0.276 119.891 120.200 -0.055 0.000 2.058 367 E HA -0.203 4.148 4.350 0.001 0.000 0.194 367 E C 2.116 178.699 176.600 -0.028 0.000 0.997 367 E CA 1.202 57.579 56.400 -0.038 0.000 0.801 367 E CB -0.133 29.537 29.700 -0.050 0.000 0.746 367 E HN 0.334 nan 8.360 nan 0.000 0.450 368 R N 0.281 120.757 120.500 -0.040 0.000 2.193 368 R HA -0.101 4.240 4.340 0.001 0.000 0.229 368 R C 2.253 178.541 176.300 -0.019 0.000 1.110 368 R CA 0.619 56.701 56.100 -0.030 0.000 0.988 368 R CB -0.053 30.222 30.300 -0.043 0.000 0.871 368 R HN 0.059 nan 8.270 nan 0.000 0.458 369 V N 0.269 120.171 119.914 -0.020 0.000 2.302 369 V HA -0.133 3.987 4.120 0.001 0.000 0.243 369 V C 2.311 178.401 176.094 -0.007 0.000 1.036 369 V CA 1.897 64.189 62.300 -0.013 0.000 1.020 369 V CB -0.488 31.326 31.823 -0.015 0.000 0.657 369 V HN 0.369 nan 8.190 nan 0.000 0.453 370 A N -0.152 122.664 122.820 -0.007 0.000 1.855 370 A HA -0.127 4.194 4.320 0.001 0.000 0.215 370 A C 1.821 179.409 177.584 0.007 0.000 1.191 370 A CA 1.174 53.211 52.037 -0.001 0.000 0.613 370 A CB -0.371 18.627 19.000 -0.003 0.000 0.829 370 A HN 0.400 nan 8.150 nan 0.000 0.442 371 K N -0.575 119.833 120.400 0.013 0.000 2.914 371 K HA 0.166 4.486 4.320 0.001 0.000 0.246 371 K C 0.257 176.875 176.600 0.030 0.000 0.949 371 K CA 0.337 56.642 56.287 0.030 0.000 1.136 371 K CB -0.145 32.384 32.500 0.048 0.000 0.976 371 K HN 0.461 nan 8.250 nan 0.000 0.473 372 L N -1.905 119.328 121.223 0.017 0.000 2.024 372 L HA 0.198 4.539 4.340 0.001 0.000 0.137 372 L C 1.499 178.374 176.870 0.009 0.000 1.357 372 L CA 0.796 55.645 54.840 0.015 0.000 1.059 372 L CB -0.660 41.405 42.059 0.009 0.000 2.165 372 L HN -0.068 nan 8.230 nan 0.000 0.478 373 A N -0.281 122.542 122.820 0.004 0.000 1.970 373 A HA 0.247 4.567 4.320 0.001 0.000 0.216 373 A C 1.914 179.499 177.584 0.002 0.000 1.170 373 A CA 1.479 53.517 52.037 0.002 0.000 0.645 373 A CB -1.067 17.932 19.000 -0.001 0.000 0.816 373 A HN 0.558 nan 8.150 nan 0.000 0.447 374 G N -1.783 107.018 108.800 0.002 0.000 2.441 374 G HA2 0.334 4.294 3.960 0.001 0.000 0.212 374 G HA3 0.334 4.294 3.960 0.001 0.000 0.212 374 G C 1.424 176.325 174.900 0.003 0.000 1.164 374 G CA 1.073 46.173 45.100 0.001 0.000 0.811 374 G HN 1.516 nan 8.290 nan 0.000 0.535 375 G N -1.054 107.750 108.800 0.007 0.000 5.306 375 G HA2 -0.249 3.711 3.960 0.001 0.000 0.318 375 G HA3 -0.249 3.711 3.960 0.001 0.000 0.318 375 G C 0.100 175.004 174.900 0.007 0.000 1.413 375 G CA 0.719 45.825 45.100 0.011 0.000 0.981 375 G HN 1.309 nan 8.290 nan 0.000 0.788 376 V N 0.596 120.511 119.914 0.002 0.000 2.891 376 V HA 0.750 4.870 4.120 0.001 0.000 0.304 376 V C 0.145 176.235 176.094 -0.007 0.000 1.171 376 V CA -0.230 62.068 62.300 -0.004 0.000 0.943 376 V CB 1.594 33.414 31.823 -0.005 0.000 1.037 376 V HN 1.904 nan 8.190 nan 0.000 0.427 377 A N 3.503 126.316 122.820 -0.011 0.000 2.305 377 A HA 0.885 5.205 4.320 0.001 0.000 0.322 377 A C -0.398 177.176 177.584 -0.017 0.000 1.187 377 A CA -0.559 51.470 52.037 -0.013 0.000 0.825 377 A CB 1.352 20.343 19.000 -0.014 0.000 1.164 377 A HN 1.586 nan 8.150 nan 0.000 0.498 378 V N 1.154 121.059 119.914 -0.015 0.000 2.378 378 V HA 0.551 4.672 4.120 0.001 0.000 0.288 378 V C -0.350 175.734 176.094 -0.017 0.000 1.016 378 V CA -0.438 61.852 62.300 -0.016 0.000 0.840 378 V CB 0.824 32.639 31.823 -0.013 0.000 0.994 378 V HN 0.631 nan 8.190 nan 0.000 0.431 379 I N 4.496 125.054 120.570 -0.020 0.000 2.241 379 I HA 0.279 4.449 4.170 0.001 0.000 0.294 379 I C 0.588 176.695 176.117 -0.017 0.000 1.145 379 I CA -0.093 61.195 61.300 -0.019 0.000 1.261 379 I CB 0.363 38.348 38.000 -0.025 0.000 1.475 379 I HN 0.610 nan 8.210 nan 0.000 0.533 380 K N 5.182 125.574 120.400 -0.014 0.000 2.228 380 K HA 0.238 4.558 4.320 0.001 0.000 0.284 380 K C -0.347 176.246 176.600 -0.011 0.000 1.088 380 K CA -0.295 55.985 56.287 -0.012 0.000 0.941 380 K CB 0.550 33.043 32.500 -0.011 0.000 1.158 380 K HN 0.333 nan 8.250 nan 0.000 0.438 381 V N 2.414 122.321 119.914 -0.011 0.000 2.655 381 V HA 0.205 4.325 4.120 0.001 0.000 0.300 381 V C 0.977 177.066 176.094 -0.009 0.000 1.044 381 V CA -0.228 62.066 62.300 -0.010 0.000 1.095 381 V CB 1.133 32.950 31.823 -0.010 0.000 0.952 381 V HN 0.880 nan 8.190 nan 0.000 0.485 382 G N 2.163 110.958 108.800 -0.008 0.000 2.574 382 G HA2 0.903 4.863 3.960 0.001 0.000 0.299 382 G HA3 0.903 4.863 3.960 0.001 0.000 0.299 382 G C -0.838 174.058 174.900 -0.007 0.000 1.298 382 G CA -0.045 45.050 45.100 -0.007 0.000 0.952 382 G HN 1.237 nan 8.290 nan 0.000 0.477 383 A N -0.788 122.028 122.820 -0.006 0.000 2.467 383 A HA 0.799 5.119 4.320 0.001 0.000 0.301 383 A C 0.731 178.312 177.584 -0.005 0.000 1.126 383 A CA 0.470 52.504 52.037 -0.006 0.000 0.632 383 A CB 0.288 19.285 19.000 -0.005 0.000 1.331 383 A HN 2.014 nan 8.150 nan 0.000 0.482 384 A N -0.983 121.834 122.820 -0.005 0.000 2.119 384 A HA 0.505 4.825 4.320 0.001 0.000 0.216 384 A C 1.000 178.581 177.584 -0.004 0.000 1.152 384 A CA 2.115 54.150 52.037 -0.004 0.000 0.708 384 A CB -0.288 18.710 19.000 -0.004 0.000 0.805 384 A HN 1.905 nan 8.150 nan 0.000 0.460 385 T N -2.932 111.620 114.554 -0.004 0.000 2.786 385 T HA 0.245 4.595 4.350 0.001 0.000 0.316 385 T C 0.464 175.161 174.700 -0.004 0.000 1.503 385 T CA -0.081 62.017 62.100 -0.004 0.000 1.019 385 T CB 1.268 70.134 68.868 -0.004 0.000 1.415 385 T HN 0.228 nan 8.240 nan 0.000 0.496 386 E N 0.757 120.955 120.200 -0.004 0.000 2.070 386 E HA -0.118 4.233 4.350 0.001 0.000 0.197 386 E C 1.736 178.334 176.600 -0.004 0.000 1.004 386 E CA 1.908 58.305 56.400 -0.004 0.000 0.805 386 E CB -0.021 29.676 29.700 -0.005 0.000 0.744 386 E HN 0.460 nan 8.360 nan 0.000 0.451 387 V N 0.911 120.823 119.914 -0.003 0.000 2.591 387 V HA -0.167 3.954 4.120 0.001 0.000 0.249 387 V C 2.346 178.439 176.094 -0.002 0.000 1.053 387 V CA 1.827 64.125 62.300 -0.002 0.000 1.068 387 V CB -0.402 31.419 31.823 -0.002 0.000 0.689 387 V HN 0.310 nan 8.190 nan 0.000 0.462 388 E N -0.070 120.128 120.200 -0.003 0.000 2.072 388 E HA -0.230 4.121 4.350 0.001 0.000 0.191 388 E C 2.279 178.877 176.600 -0.003 0.000 0.985 388 E CA 1.253 57.651 56.400 -0.003 0.000 0.801 388 E CB -0.131 29.567 29.700 -0.004 0.000 0.750 388 E HN 0.462 nan 8.360 nan 0.000 0.452 389 M N 0.851 120.449 119.600 -0.004 0.000 2.108 389 M HA -0.220 4.261 4.480 0.001 0.000 0.261 389 M C 1.818 178.115 176.300 -0.004 0.000 1.066 389 M CA 1.708 57.005 55.300 -0.005 0.000 1.107 389 M CB -0.180 32.417 32.600 -0.005 0.000 1.356 389 M HN -0.015 nan 8.290 nan 0.000 0.406 390 K N -0.409 119.989 120.400 -0.003 0.000 2.147 390 K HA -0.164 4.157 4.320 0.001 0.000 0.205 390 K C 2.034 178.634 176.600 0.000 0.000 1.049 390 K CA 1.095 57.381 56.287 -0.001 0.000 0.936 390 K CB -0.144 32.356 32.500 -0.001 0.000 0.722 390 K HN 0.357 nan 8.250 nan 0.000 0.446 391 E N 1.499 121.699 120.200 -0.001 0.000 2.046 391 E HA -0.169 4.182 4.350 0.001 0.000 0.190 391 E C 1.893 178.493 176.600 -0.000 0.000 0.982 391 E CA 1.155 57.555 56.400 0.000 0.000 0.800 391 E CB 0.148 29.848 29.700 -0.001 0.000 0.756 391 E HN 0.141 nan 8.360 nan 0.000 0.449 392 K N 1.022 121.420 120.400 -0.002 0.000 2.032 392 K HA -0.196 4.125 4.320 0.001 0.000 0.209 392 K C 2.329 178.927 176.600 -0.004 0.000 1.048 392 K CA 1.648 57.933 56.287 -0.004 0.000 0.927 392 K CB -0.122 32.375 32.500 -0.005 0.000 0.712 392 K HN -0.088 nan 8.250 nan 0.000 0.441 393 K N 0.247 120.645 120.400 -0.003 0.000 2.032 393 K HA -0.183 4.137 4.320 0.001 0.000 0.209 393 K C 2.009 178.610 176.600 0.002 0.000 1.048 393 K CA 1.463 57.748 56.287 -0.003 0.000 0.927 393 K CB -0.277 32.222 32.500 -0.002 0.000 0.712 393 K HN 0.240 nan 8.250 nan 0.000 0.441 394 A N 1.569 124.393 122.820 0.006 0.000 1.917 394 A HA -0.237 4.084 4.320 0.001 0.000 0.219 394 A C 2.192 179.786 177.584 0.016 0.000 1.182 394 A CA 1.962 54.008 52.037 0.013 0.000 0.633 394 A CB -0.609 18.398 19.000 0.011 0.000 0.819 394 A HN 0.455 nan 8.150 nan 0.000 0.448 395 R N -0.673 119.832 120.500 0.008 0.000 2.090 395 R HA -0.045 4.296 4.340 0.001 0.000 0.228 395 R C 1.933 178.234 176.300 0.002 0.000 1.110 395 R CA 1.400 57.504 56.100 0.007 0.000 0.973 395 R CB -0.358 29.943 30.300 0.001 0.000 0.869 395 R HN 0.304 nan 8.270 nan 0.000 0.440 396 V N 1.451 121.361 119.914 -0.006 0.000 2.332 396 V HA -0.275 3.846 4.120 0.001 0.000 0.248 396 V C 1.923 177.998 176.094 -0.031 0.000 1.055 396 V CA 2.208 64.496 62.300 -0.019 0.000 1.038 396 V CB -0.508 31.302 31.823 -0.023 0.000 0.651 396 V HN 0.439 nan 8.190 nan 0.000 0.450 397 E N 0.131 120.323 120.200 -0.014 0.000 2.038 397 E HA -0.243 4.108 4.350 0.001 0.000 0.195 397 E C 1.989 178.610 176.600 0.036 0.000 1.000 397 E CA 1.677 58.073 56.400 -0.007 0.000 0.803 397 E CB -0.260 29.476 29.700 0.060 0.000 0.750 397 E HN 0.641 nan 8.360 nan 0.000 0.448 398 D N 0.426 120.870 120.400 0.073 0.000 2.117 398 D HA -0.105 4.535 4.640 0.001 0.000 0.198 398 D C 1.904 178.247 176.300 0.071 0.000 0.982 398 D CA 1.329 55.393 54.000 0.107 0.000 0.828 398 D CB -0.331 40.506 40.800 0.062 0.000 0.967 398 D HN 0.186 nan 8.370 nan 0.000 0.464 399 A N 0.905 123.738 122.820 0.022 0.000 2.015 399 A HA -0.048 4.272 4.320 0.001 0.000 0.219 399 A C 2.220 179.793 177.584 -0.018 0.000 1.163 399 A CA 0.518 52.558 52.037 0.005 0.000 0.646 399 A CB -0.654 18.343 19.000 -0.005 0.000 0.806 399 A HN 0.233 nan 8.150 nan 0.000 0.448 400 L N -1.233 119.948 121.223 -0.071 0.000 2.005 400 L HA -0.179 4.162 4.340 0.001 0.000 0.207 400 L C 2.654 179.446 176.870 -0.130 0.000 1.072 400 L CA 1.608 56.364 54.840 -0.139 0.000 0.744 400 L CB -0.509 41.407 42.059 -0.239 0.000 0.895 400 L HN 0.471 nan 8.230 nan 0.000 0.433 401 H N -0.219 118.852 119.070 0.001 0.000 2.352 401 H HA -0.128 4.428 4.556 0.001 0.000 0.299 401 H C 2.199 177.529 175.328 0.004 0.000 1.097 401 H CA 1.454 57.503 56.048 0.002 0.000 1.311 401 H CB -0.343 29.420 29.762 0.003 0.000 1.377 401 H HN 0.520 nan 8.280 nan 0.000 0.504 402 A N 0.444 123.335 122.820 0.117 0.000 1.933 402 A HA -0.148 4.173 4.320 0.001 0.000 0.218 402 A C 2.622 180.230 177.584 0.040 0.000 1.175 402 A CA 1.951 54.027 52.037 0.066 0.000 0.628 402 A CB -0.775 18.253 19.000 0.047 0.000 0.814 402 A HN 0.400 nan 8.150 nan 0.000 0.444 403 T N -0.261 114.307 114.554 0.023 0.000 2.708 403 T HA -0.138 4.213 4.350 0.001 0.000 0.266 403 T C 2.066 176.776 174.700 0.017 0.000 1.037 403 T CA 1.501 63.607 62.100 0.010 0.000 1.146 403 T CB -0.240 68.623 68.868 -0.007 0.000 0.865 403 T HN 0.517 nan 8.240 nan 0.000 0.435 404 R N 1.031 121.545 120.500 0.023 0.000 2.091 404 R HA -0.024 4.317 4.340 0.001 0.000 0.238 404 R C 2.838 179.162 176.300 0.041 0.000 1.136 404 R CA 1.370 57.490 56.100 0.033 0.000 0.959 404 R CB -0.567 29.762 30.300 0.049 0.000 0.856 404 R HN 0.371 nan 8.270 nan 0.000 0.437 405 A N 1.303 124.154 122.820 0.051 0.000 1.908 405 A HA -0.138 4.182 4.320 0.001 0.000 0.218 405 A C 2.385 179.989 177.584 0.033 0.000 1.181 405 A CA 1.764 53.828 52.037 0.044 0.000 0.627 405 A CB -0.601 18.428 19.000 0.049 0.000 0.818 405 A HN 0.418 nan 8.150 nan 0.000 0.445 406 A N -0.645 122.192 122.820 0.028 0.000 1.898 406 A HA 0.017 4.338 4.320 0.001 0.000 0.216 406 A C 2.207 179.802 177.584 0.019 0.000 1.181 406 A CA 1.694 53.744 52.037 0.021 0.000 0.620 406 A CB -0.912 18.099 19.000 0.017 0.000 0.819 406 A HN 0.396 nan 8.150 nan 0.000 0.442 407 V N 0.348 120.273 119.914 0.019 0.000 2.407 407 V HA -0.238 3.883 4.120 0.001 0.000 0.248 407 V C 2.089 178.195 176.094 0.020 0.000 1.055 407 V CA 2.136 64.446 62.300 0.017 0.000 1.049 407 V CB -0.759 31.073 31.823 0.015 0.000 0.662 407 V HN 0.624 nan 8.190 nan 0.000 0.455 408 E N -0.962 119.253 120.200 0.024 0.000 2.502 408 E HA -0.036 4.314 4.350 0.001 0.000 0.194 408 E C 1.315 177.929 176.600 0.023 0.000 1.062 408 E CA 0.333 56.748 56.400 0.025 0.000 0.867 408 E CB 0.225 29.943 29.700 0.030 0.000 0.888 408 E HN 0.632 nan 8.360 nan 0.000 0.510 409 E N -1.306 118.907 120.200 0.021 0.000 2.436 409 E HA 0.115 4.465 4.350 0.001 0.000 0.167 409 E C 0.076 176.686 176.600 0.017 0.000 0.898 409 E CA 0.250 56.661 56.400 0.019 0.000 1.354 409 E CB 0.910 30.621 29.700 0.020 0.000 1.442 409 E HN 0.233 nan 8.360 nan 0.000 0.671 410 G N 0.443 109.254 108.800 0.017 0.000 2.610 410 G HA2 -0.098 3.863 3.960 0.001 0.000 0.304 410 G HA3 -0.098 3.863 3.960 0.001 0.000 0.304 410 G C -0.684 174.225 174.900 0.016 0.000 1.309 410 G CA -0.502 44.607 45.100 0.016 0.000 0.906 410 G HN 0.741 nan 8.290 nan 0.000 0.521 411 V N -2.937 116.986 119.914 0.015 0.000 3.007 411 V HA 0.991 5.112 4.120 0.001 0.000 0.311 411 V C 0.402 176.505 176.094 0.015 0.000 1.120 411 V CA 0.063 62.371 62.300 0.014 0.000 0.980 411 V CB 1.283 33.112 31.823 0.011 0.000 1.033 411 V HN 2.486 nan 8.190 nan 0.000 0.429 412 V N -0.662 119.261 119.914 0.015 0.000 3.181 412 V HA 0.988 5.109 4.120 0.001 0.000 0.308 412 V C 0.477 176.579 176.094 0.013 0.000 1.214 412 V CA -0.753 61.557 62.300 0.017 0.000 1.053 412 V CB 1.408 33.243 31.823 0.021 0.000 1.069 412 V HN 2.145 nan 8.190 nan 0.000 0.441 413 A N 0.839 123.669 122.820 0.016 0.000 2.507 413 A HA 0.492 4.812 4.320 0.001 0.000 0.281 413 A C 1.368 178.957 177.584 0.008 0.000 1.154 413 A CA 0.589 52.631 52.037 0.009 0.000 0.828 413 A CB -0.661 18.351 19.000 0.020 0.000 1.069 413 A HN 1.837 nan 8.150 nan 0.000 0.522 414 G N 2.331 111.129 108.800 -0.002 0.000 2.683 414 G HA2 0.187 4.147 3.960 0.001 0.000 0.213 414 G HA3 0.187 4.147 3.960 0.001 0.000 0.213 414 G C 1.007 175.907 174.900 -0.000 0.000 1.142 414 G CA 0.638 45.738 45.100 0.001 0.000 0.793 414 G HN 1.061 nan 8.290 nan 0.000 0.534 415 G N 0.142 108.937 108.800 -0.008 0.000 3.356 415 G HA2 0.396 4.356 3.960 0.001 0.000 0.239 415 G HA3 0.396 4.356 3.960 0.001 0.000 0.239 415 G C 1.347 176.260 174.900 0.021 0.000 1.252 415 G CA 0.300 45.398 45.100 -0.003 0.000 1.611 415 G HN 1.143 nan 8.290 nan 0.000 0.580 416 G N -0.948 107.866 108.800 0.024 0.000 2.302 416 G HA2 -0.416 3.545 3.960 0.001 0.000 0.263 416 G HA3 -0.416 3.545 3.960 0.001 0.000 0.263 416 G C 1.482 176.406 174.900 0.040 0.000 0.995 416 G CA 0.734 45.853 45.100 0.032 0.000 0.622 416 G HN 0.631 nan 8.290 nan 0.000 0.538 417 V N 1.137 121.077 119.914 0.043 0.000 2.324 417 V HA -0.131 3.990 4.120 0.001 0.000 0.250 417 V C 3.291 179.416 176.094 0.052 0.000 1.060 417 V CA 3.146 65.480 62.300 0.056 0.000 1.042 417 V CB -1.156 30.698 31.823 0.051 0.000 0.650 417 V HN 1.048 nan 8.190 nan 0.000 0.450 418 A N -0.273 122.571 122.820 0.040 0.000 1.902 418 A HA -0.123 4.197 4.320 0.001 0.000 0.217 418 A C 2.138 179.743 177.584 0.036 0.000 1.181 418 A CA 1.563 53.622 52.037 0.037 0.000 0.623 418 A CB -0.429 18.589 19.000 0.030 0.000 0.818 418 A HN 0.404 nan 8.150 nan 0.000 0.443 419 L N -0.005 121.238 121.223 0.033 0.000 2.027 419 L HA -0.143 4.197 4.340 0.001 0.000 0.206 419 L C 2.549 179.439 176.870 0.033 0.000 1.074 419 L CA 1.363 56.221 54.840 0.031 0.000 0.745 419 L CB -1.361 40.715 42.059 0.029 0.000 0.898 419 L HN 0.324 nan 8.230 nan 0.000 0.433 420 I N -0.107 120.487 120.570 0.040 0.000 2.194 420 I HA -0.317 3.854 4.170 0.001 0.000 0.246 420 I C 2.774 178.918 176.117 0.045 0.000 1.093 420 I CA 1.257 62.584 61.300 0.044 0.000 1.355 420 I CB -0.819 37.215 38.000 0.057 0.000 1.046 420 I HN 0.305 nan 8.210 nan 0.000 0.413 421 R N 1.703 122.232 120.500 0.049 0.000 2.070 421 R HA -0.135 4.206 4.340 0.001 0.000 0.233 421 R C 2.307 178.628 176.300 0.036 0.000 1.137 421 R CA 2.180 58.309 56.100 0.049 0.000 0.945 421 R CB -0.866 29.467 30.300 0.055 0.000 0.845 421 R HN 0.341 nan 8.270 nan 0.000 0.430 422 V N -1.279 118.654 119.914 0.031 0.000 2.594 422 V HA -0.035 4.086 4.120 0.001 0.000 0.253 422 V C 2.123 178.229 176.094 0.021 0.000 1.069 422 V CA 1.653 63.968 62.300 0.024 0.000 1.082 422 V CB -1.198 30.637 31.823 0.020 0.000 0.680 422 V HN 0.369 nan 8.190 nan 0.000 0.469 423 A N 1.944 124.778 122.820 0.023 0.000 1.855 423 A HA -0.141 4.180 4.320 0.001 0.000 0.215 423 A C 2.613 180.210 177.584 0.020 0.000 1.191 423 A CA 2.460 54.509 52.037 0.020 0.000 0.613 423 A CB -1.193 17.820 19.000 0.022 0.000 0.829 423 A HN 0.968 nan 8.150 nan 0.000 0.442 424 S N -0.015 115.699 115.700 0.025 0.000 2.440 424 S HA -0.154 4.316 4.470 0.001 0.000 0.238 424 S C 1.542 176.154 174.600 0.019 0.000 1.010 424 S CA 1.592 59.807 58.200 0.024 0.000 0.972 424 S CB -0.356 62.863 63.200 0.032 0.000 0.774 424 S HN 0.617 nan 8.310 nan 0.000 0.501 425 K N 0.366 120.777 120.400 0.019 0.000 2.379 425 K HA 0.233 4.554 4.320 0.001 0.000 0.194 425 K C 0.461 177.068 176.600 0.011 0.000 1.031 425 K CA 0.549 56.845 56.287 0.015 0.000 1.037 425 K CB 0.152 32.662 32.500 0.016 0.000 0.824 425 K HN 0.550 nan 8.250 nan 0.000 0.516 426 L N -5.492 115.738 121.223 0.011 0.000 3.759 426 L HA 0.457 4.798 4.340 0.001 0.000 0.355 426 L C 1.085 177.960 176.870 0.008 0.000 1.271 426 L CA -0.106 54.739 54.840 0.009 0.000 1.142 426 L CB -0.265 41.799 42.059 0.008 0.000 1.474 426 L HN -0.195 nan 8.230 nan 0.000 0.624 427 A N -0.068 122.757 122.820 0.009 0.000 2.225 427 A HA -0.170 4.150 4.320 0.001 0.000 0.215 427 A C 1.711 179.299 177.584 0.007 0.000 1.164 427 A CA 1.679 53.721 52.037 0.009 0.000 0.710 427 A CB -0.685 18.322 19.000 0.010 0.000 0.780 427 A HN 0.529 nan 8.150 nan 0.000 0.473 428 D N -1.141 119.263 120.400 0.006 0.000 2.363 428 D HA 0.051 4.691 4.640 0.001 0.000 0.226 428 D C 0.562 176.865 176.300 0.004 0.000 1.020 428 D CA -0.236 53.767 54.000 0.004 0.000 0.892 428 D CB -0.311 40.491 40.800 0.004 0.000 0.900 428 D HN 0.310 nan 8.370 nan 0.000 0.531 429 L N 1.332 122.558 121.223 0.004 0.000 2.559 429 L HA 0.086 4.426 4.340 0.001 0.000 0.282 429 L C -0.187 176.685 176.870 0.003 0.000 1.232 429 L CA 0.620 55.462 54.840 0.004 0.000 0.885 429 L CB 0.293 42.354 42.059 0.004 0.000 1.131 429 L HN -0.110 nan 8.230 nan 0.000 0.498 430 R N 3.716 124.217 120.500 0.002 0.000 2.732 430 R HA 0.658 4.998 4.340 0.001 0.000 0.278 430 R C -0.058 176.244 176.300 0.002 0.000 0.976 430 R CA -0.286 55.816 56.100 0.002 0.000 0.963 430 R CB 1.426 31.727 30.300 0.002 0.000 1.150 430 R HN 0.876 nan 8.270 nan 0.000 0.478 431 G N 0.357 109.158 108.800 0.002 0.000 2.488 431 G HA2 0.294 4.254 3.960 0.001 0.000 0.318 431 G HA3 0.294 4.254 3.960 0.001 0.000 0.318 431 G C 0.081 174.982 174.900 0.001 0.000 1.188 431 G CA -0.325 44.776 45.100 0.002 0.000 0.944 431 G HN 0.357 nan 8.290 nan 0.000 0.495 432 Q N -0.531 119.269 119.800 0.001 0.000 2.096 432 Q HA 0.035 4.375 4.340 0.001 0.000 0.197 432 Q C 1.318 177.319 176.000 0.001 0.000 0.964 432 Q CA 0.624 56.427 55.803 0.001 0.000 0.838 432 Q CB 0.087 28.826 28.738 0.001 0.000 0.906 432 Q HN 0.602 nan 8.270 nan 0.000 0.444 433 N N 0.277 118.977 118.700 0.001 0.000 2.477 433 N HA -0.020 4.721 4.740 0.001 0.000 0.284 433 N C 0.564 176.075 175.510 0.002 0.000 1.182 433 N CA 0.074 53.125 53.050 0.001 0.000 0.949 433 N CB 1.330 39.818 38.487 0.002 0.000 1.204 433 N HN 0.214 nan 8.380 nan 0.000 0.526 434 E N 1.456 121.657 120.200 0.002 0.000 2.015 434 E HA -0.199 4.151 4.350 0.001 0.000 0.191 434 E C 0.462 177.063 176.600 0.002 0.000 0.991 434 E CA 1.533 57.934 56.400 0.002 0.000 0.802 434 E CB -0.457 29.244 29.700 0.001 0.000 0.759 434 E HN 0.599 nan 8.360 nan 0.000 0.447 435 D N 1.051 121.453 120.400 0.003 0.000 2.149 435 D HA -0.208 4.432 4.640 0.001 0.000 0.198 435 D C 2.105 178.407 176.300 0.004 0.000 0.990 435 D CA 1.486 55.487 54.000 0.003 0.000 0.839 435 D CB -0.184 40.618 40.800 0.003 0.000 0.948 435 D HN 0.283 nan 8.370 nan 0.000 0.460 436 Q N 0.262 120.064 119.800 0.003 0.000 2.079 436 Q HA -0.156 4.184 4.340 0.001 0.000 0.200 436 Q C 1.743 177.745 176.000 0.003 0.000 0.974 436 Q CA 0.950 56.755 55.803 0.003 0.000 0.840 436 Q CB 0.102 28.842 28.738 0.003 0.000 0.898 436 Q HN 0.278 nan 8.270 nan 0.000 0.430 437 N N -0.276 118.425 118.700 0.003 0.000 2.166 437 N HA -0.132 4.608 4.740 0.001 0.000 0.186 437 N C 1.866 177.378 175.510 0.004 0.000 1.019 437 N CA 1.267 54.319 53.050 0.003 0.000 0.856 437 N CB 0.017 38.506 38.487 0.003 0.000 0.993 437 N HN 0.106 nan 8.380 nan 0.000 0.426 438 V N 1.042 120.958 119.914 0.004 0.000 2.295 438 V HA -0.176 3.944 4.120 0.001 0.000 0.246 438 V C 2.524 178.621 176.094 0.005 0.000 1.049 438 V CA 2.067 64.369 62.300 0.004 0.000 1.024 438 V CB -1.191 30.634 31.823 0.004 0.000 0.648 438 V HN 0.330 nan 8.190 nan 0.000 0.447 439 G N -0.229 108.574 108.800 0.005 0.000 2.418 439 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 439 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 439 G C 1.585 176.489 174.900 0.006 0.000 1.158 439 G CA 1.060 46.163 45.100 0.006 0.000 0.771 439 G HN 0.484 nan 8.290 nan 0.000 0.545 440 I N 0.153 120.727 120.570 0.005 0.000 2.127 440 I HA -0.153 4.018 4.170 0.001 0.000 0.241 440 I C 2.704 178.825 176.117 0.006 0.000 1.075 440 I CA 1.530 62.833 61.300 0.005 0.000 1.334 440 I CB -0.112 37.891 38.000 0.004 0.000 1.040 440 I HN 0.073 nan 8.210 nan 0.000 0.405 441 K N 0.536 120.939 120.400 0.006 0.000 2.148 441 K HA -0.093 4.227 4.320 0.001 0.000 0.204 441 K C 1.864 178.469 176.600 0.007 0.000 1.050 441 K CA 0.972 57.263 56.287 0.006 0.000 0.942 441 K CB -0.217 32.286 32.500 0.006 0.000 0.724 441 K HN 0.087 nan 8.250 nan 0.000 0.446 442 V N 0.600 120.518 119.914 0.007 0.000 2.261 442 V HA -0.271 3.850 4.120 0.001 0.000 0.246 442 V C 2.243 178.343 176.094 0.010 0.000 1.047 442 V CA 2.055 64.360 62.300 0.008 0.000 1.015 442 V CB -0.788 31.040 31.823 0.008 0.000 0.642 442 V HN 0.468 nan 8.190 nan 0.000 0.446 443 A N -0.408 122.418 122.820 0.010 0.000 1.908 443 A HA -0.184 4.136 4.320 0.001 0.000 0.218 443 A C 2.215 179.806 177.584 0.012 0.000 1.181 443 A CA 1.964 54.007 52.037 0.011 0.000 0.627 443 A CB -0.567 18.438 19.000 0.009 0.000 0.818 443 A HN 0.502 nan 8.150 nan 0.000 0.445 444 L N -1.294 119.935 121.223 0.011 0.000 1.994 444 L HA -0.181 4.160 4.340 0.001 0.000 0.208 444 L C 2.811 179.689 176.870 0.013 0.000 1.071 444 L CA 1.918 56.766 54.840 0.012 0.000 0.745 444 L CB -0.463 41.602 42.059 0.011 0.000 0.892 444 L HN 0.446 nan 8.230 nan 0.000 0.431 445 R N 0.240 120.747 120.500 0.012 0.000 2.120 445 R HA -0.168 4.173 4.340 0.001 0.000 0.234 445 R C 2.287 178.595 176.300 0.014 0.000 1.123 445 R CA 1.280 57.388 56.100 0.013 0.000 0.975 445 R CB -0.237 30.069 30.300 0.010 0.000 0.866 445 R HN 0.358 nan 8.270 nan 0.000 0.446 446 A N 0.798 123.626 122.820 0.014 0.000 1.978 446 A HA -0.182 4.139 4.320 0.001 0.000 0.220 446 A C 2.095 179.690 177.584 0.018 0.000 1.170 446 A CA 1.634 53.680 52.037 0.016 0.000 0.636 446 A CB -0.452 18.557 19.000 0.016 0.000 0.810 446 A HN 0.393 nan 8.150 nan 0.000 0.448 447 M N -0.552 119.059 119.600 0.019 0.000 2.446 447 M HA -0.141 4.339 4.480 0.001 0.000 0.263 447 M C 1.538 177.852 176.300 0.024 0.000 1.066 447 M CA 1.178 56.491 55.300 0.022 0.000 1.087 447 M CB -0.379 32.234 32.600 0.022 0.000 1.406 447 M HN 0.481 nan 8.290 nan 0.000 0.459 448 E N 0.514 120.727 120.200 0.022 0.000 2.285 448 E HA -0.037 4.313 4.350 0.001 0.000 0.194 448 E C 2.165 178.779 176.600 0.022 0.000 0.997 448 E CA 0.753 57.167 56.400 0.023 0.000 0.845 448 E CB -0.032 29.680 29.700 0.020 0.000 0.782 448 E HN 0.524 nan 8.360 nan 0.000 0.491 449 A N 2.306 125.138 122.820 0.020 0.000 1.902 449 A HA -0.102 4.218 4.320 0.001 0.000 0.217 449 A C -0.312 177.284 177.584 0.020 0.000 1.181 449 A CA 1.057 53.105 52.037 0.018 0.000 0.623 449 A CB -1.306 17.704 19.000 0.016 0.000 0.818 449 A HN 0.126 nan 8.150 nan 0.000 0.443 450 P HA -0.164 nan 4.420 nan 0.000 0.214 450 P C 1.730 179.046 177.300 0.027 0.000 1.163 450 P CA 1.036 64.150 63.100 0.023 0.000 0.883 450 P CB -0.105 31.609 31.700 0.024 0.000 0.788 451 L N -0.262 120.980 121.223 0.033 0.000 1.994 451 L HA -0.128 4.212 4.340 0.001 0.000 0.208 451 L C 2.372 179.262 176.870 0.034 0.000 1.071 451 L CA 1.897 56.762 54.840 0.042 0.000 0.745 451 L CB -0.982 41.106 42.059 0.049 0.000 0.892 451 L HN -0.227 nan 8.230 nan 0.000 0.431 452 R N -1.005 119.509 120.500 0.024 0.000 2.105 452 R HA -0.224 4.116 4.340 0.001 0.000 0.239 452 R C 2.332 178.640 176.300 0.014 0.000 1.135 452 R CA 1.662 57.770 56.100 0.014 0.000 0.967 452 R CB -0.380 29.927 30.300 0.012 0.000 0.861 452 R HN 0.430 nan 8.270 nan 0.000 0.442 453 Q N 0.826 120.636 119.800 0.017 0.000 2.137 453 Q HA -0.003 4.337 4.340 0.001 0.000 0.198 453 Q C 1.809 177.821 176.000 0.020 0.000 0.960 453 Q CA 1.221 57.033 55.803 0.015 0.000 0.847 453 Q CB 0.003 28.749 28.738 0.014 0.000 0.915 453 Q HN 0.319 nan 8.270 nan 0.000 0.448 454 I N -0.737 119.849 120.570 0.027 0.000 2.163 454 I HA -0.280 3.891 4.170 0.001 0.000 0.243 454 I C 1.944 178.091 176.117 0.049 0.000 1.085 454 I CA 0.996 62.316 61.300 0.034 0.000 1.347 454 I CB -0.259 37.765 38.000 0.039 0.000 1.044 454 I HN 0.052 nan 8.210 nan 0.000 0.408 455 V N 0.490 120.436 119.914 0.053 0.000 2.407 455 V HA -0.260 3.860 4.120 0.001 0.000 0.248 455 V C 2.321 178.430 176.094 0.025 0.000 1.055 455 V CA 1.531 63.859 62.300 0.047 0.000 1.049 455 V CB -0.493 31.324 31.823 -0.009 0.000 0.662 455 V HN 0.359 nan 8.190 nan 0.000 0.455 456 L N 0.708 121.940 121.223 0.016 0.000 2.093 456 L HA -0.078 4.263 4.340 0.001 0.000 0.208 456 L C 2.161 179.040 176.870 0.015 0.000 1.085 456 L CA 1.788 56.635 54.840 0.011 0.000 0.755 456 L CB -0.916 41.147 42.059 0.007 0.000 0.904 456 L HN 0.295 nan 8.230 nan 0.000 0.435 457 N N -0.876 117.835 118.700 0.017 0.000 2.120 457 N HA -0.179 4.561 4.740 0.001 0.000 0.188 457 N C 1.803 177.324 175.510 0.018 0.000 1.024 457 N CA 1.828 54.887 53.050 0.015 0.000 0.852 457 N CB -0.848 37.647 38.487 0.013 0.000 1.003 457 N HN 0.407 nan 8.380 nan 0.000 0.424 458 C N -0.786 118.532 119.300 0.030 0.000 2.500 458 C HA 0.253 4.714 4.460 0.001 0.000 0.273 458 C C 1.710 176.720 174.990 0.034 0.000 1.428 458 C CA 0.531 59.570 59.018 0.036 0.000 1.766 458 C CB -1.060 26.718 27.740 0.063 0.000 1.817 458 C HN 0.675 nan 8.230 nan 0.000 0.543 459 G N 0.418 109.233 108.800 0.026 0.000 2.159 459 G HA2 -0.143 3.817 3.960 0.001 0.000 0.227 459 G HA3 -0.143 3.817 3.960 0.001 0.000 0.227 459 G C -0.211 174.697 174.900 0.013 0.000 0.986 459 G CA -0.044 45.066 45.100 0.017 0.000 0.651 459 G HN 0.494 nan 8.290 nan 0.000 0.523 460 E N 0.496 120.703 120.200 0.010 0.000 2.254 460 E HA 0.376 4.726 4.350 0.001 0.000 0.261 460 E C 0.155 176.738 176.600 -0.027 0.000 1.051 460 E CA -0.683 55.709 56.400 -0.012 0.000 0.902 460 E CB 0.688 30.368 29.700 -0.033 0.000 1.168 460 E HN 0.464 nan 8.360 nan 0.000 0.423 461 E N 1.775 121.953 120.200 -0.037 0.000 2.220 461 E HA 0.050 4.401 4.350 0.001 0.000 0.272 461 E C -1.639 174.934 176.600 -0.045 0.000 1.099 461 E CA -1.475 54.906 56.400 -0.032 0.000 0.907 461 E CB 0.610 30.296 29.700 -0.024 0.000 1.022 461 E HN 0.137 nan 8.360 nan 0.000 0.428 462 P HA -0.198 nan 4.420 nan 0.000 0.220 462 P C 1.385 178.672 177.300 -0.023 0.000 1.148 462 P CA 1.059 64.142 63.100 -0.028 0.000 0.803 462 P CB 0.242 31.935 31.700 -0.011 0.000 0.782 463 S N -0.870 114.820 115.700 -0.018 0.000 2.353 463 S HA -0.155 4.315 4.470 0.001 0.000 0.222 463 S C 2.000 176.592 174.600 -0.014 0.000 1.035 463 S CA 1.752 59.945 58.200 -0.011 0.000 1.025 463 S CB -1.809 61.386 63.200 -0.009 0.000 0.902 463 S HN -0.020 nan 8.310 nan 0.000 0.440 464 V N 1.877 121.777 119.914 -0.023 0.000 2.295 464 V HA -0.109 4.012 4.120 0.001 0.000 0.246 464 V C 2.661 178.745 176.094 -0.016 0.000 1.049 464 V CA 1.639 63.926 62.300 -0.021 0.000 1.024 464 V CB -0.874 30.933 31.823 -0.026 0.000 0.648 464 V HN 0.463 nan 8.190 nan 0.000 0.447 465 V N 0.313 120.194 119.914 -0.055 0.000 2.548 465 V HA -0.138 3.983 4.120 0.001 0.000 0.249 465 V C 2.698 178.802 176.094 0.017 0.000 1.055 465 V CA 1.564 63.825 62.300 -0.064 0.000 1.065 465 V CB -1.100 30.546 31.823 -0.295 0.000 0.681 465 V HN 0.521 nan 8.190 nan 0.000 0.462 466 A N 0.923 123.747 122.820 0.007 0.000 1.883 466 A HA -0.311 4.010 4.320 0.001 0.000 0.217 466 A C 2.093 179.701 177.584 0.040 0.000 1.186 466 A CA 2.484 54.538 52.037 0.029 0.000 0.624 466 A CB -0.870 18.140 19.000 0.016 0.000 0.822 466 A HN 0.613 nan 8.150 nan 0.000 0.444 467 N N -0.369 118.347 118.700 0.026 0.000 2.120 467 N HA -0.159 4.582 4.740 0.001 0.000 0.188 467 N C 1.852 177.381 175.510 0.031 0.000 1.024 467 N CA 2.749 55.812 53.050 0.022 0.000 0.852 467 N CB -0.403 38.088 38.487 0.006 0.000 1.003 467 N HN 0.554 nan 8.380 nan 0.000 0.424 468 T N -2.106 112.473 114.554 0.041 0.000 2.674 468 T HA -0.089 4.261 4.350 0.001 0.000 0.265 468 T C 2.020 176.796 174.700 0.126 0.000 1.039 468 T CA 1.567 63.689 62.100 0.035 0.000 1.150 468 T CB -0.993 67.855 68.868 -0.033 0.000 0.864 468 T HN -0.022 nan 8.240 nan 0.000 0.427 469 V N 1.972 122.004 119.914 0.197 0.000 2.407 469 V HA -0.152 3.968 4.120 0.001 0.000 0.248 469 V C 2.814 178.991 176.094 0.139 0.000 1.055 469 V CA 1.805 64.233 62.300 0.214 0.000 1.049 469 V CB -0.707 31.231 31.823 0.192 0.000 0.662 469 V HN 0.498 nan 8.190 nan 0.000 0.455 470 K N 0.287 120.742 120.400 0.091 0.000 2.063 470 K HA -0.155 4.165 4.320 0.001 0.000 0.208 470 K C 2.153 178.783 176.600 0.051 0.000 1.048 470 K CA 1.588 57.912 56.287 0.061 0.000 0.928 470 K CB -0.589 31.936 32.500 0.041 0.000 0.713 470 K HN 0.576 nan 8.250 nan 0.000 0.442 471 G N 0.545 109.372 108.800 0.045 0.000 2.511 471 G HA2 -0.036 3.924 3.960 0.001 0.000 0.217 471 G HA3 -0.036 3.924 3.960 0.001 0.000 0.217 471 G C 0.749 175.655 174.900 0.010 0.000 1.133 471 G CA 0.495 45.605 45.100 0.017 0.000 0.792 471 G HN 0.368 nan 8.290 nan 0.000 0.539 472 G N -0.906 107.921 108.800 0.046 0.000 2.516 472 G HA2 0.441 4.402 3.960 0.001 0.000 0.276 472 G HA3 0.441 4.402 3.960 0.001 0.000 0.276 472 G C -1.058 173.862 174.900 0.034 0.000 1.390 472 G CA -0.071 45.044 45.100 0.024 0.000 1.050 472 G HN 0.162 nan 8.290 nan 0.000 0.519 473 D N -3.325 117.094 120.400 0.032 0.000 2.596 473 D HA 0.521 5.162 4.640 0.001 0.000 0.262 473 D C 0.694 177.042 176.300 0.079 0.000 1.210 473 D CA 0.968 54.993 54.000 0.043 0.000 0.873 473 D CB 1.456 42.261 40.800 0.009 0.000 1.408 473 D HN 1.155 nan 8.370 nan 0.000 0.441 474 G N 1.251 110.092 108.800 0.068 0.000 2.578 474 G HA2 -0.296 3.665 3.960 0.001 0.000 0.275 474 G HA3 -0.296 3.665 3.960 0.001 0.000 0.275 474 G C 0.465 175.427 174.900 0.104 0.000 1.271 474 G CA 0.175 45.322 45.100 0.078 0.000 0.941 474 G HN 0.597 nan 8.290 nan 0.000 0.564 475 N N 0.146 118.908 118.700 0.103 0.000 2.421 475 N HA 0.054 4.794 4.740 0.001 0.000 0.201 475 N C 0.255 175.838 175.510 0.122 0.000 1.198 475 N CA 0.299 53.404 53.050 0.092 0.000 0.838 475 N CB 0.034 38.555 38.487 0.058 0.000 1.011 475 N HN 0.461 nan 8.380 nan 0.000 0.463 476 Y N 0.751 121.082 120.300 0.051 0.000 2.359 476 Y HA 0.380 4.931 4.550 0.001 0.000 0.330 476 Y C 0.955 176.920 175.900 0.108 0.000 1.143 476 Y CA 0.406 58.551 58.100 0.074 0.000 1.318 476 Y CB 0.551 39.053 38.460 0.069 0.000 1.234 476 Y HN 0.099 nan 8.280 nan 0.000 0.522 477 G N 3.357 112.017 108.800 -0.234 0.000 2.435 477 G HA2 0.062 4.023 3.960 0.001 0.000 0.296 477 G HA3 0.062 4.023 3.960 0.001 0.000 0.296 477 G C -2.389 172.473 174.900 -0.063 0.000 1.240 477 G CA -0.997 44.111 45.100 0.014 0.000 0.872 477 G HN 0.495 nan 8.290 nan 0.000 0.480 478 Y N 2.156 122.337 120.300 -0.198 0.000 2.383 478 Y HA 0.552 5.103 4.550 0.001 0.000 0.344 478 Y C 0.386 176.085 175.900 -0.335 0.000 0.986 478 Y CA -1.362 56.427 58.100 -0.519 0.000 1.175 478 Y CB 0.967 39.101 38.460 -0.543 0.000 1.152 478 Y HN 0.407 nan 8.280 nan 0.000 0.511 479 N N 5.101 123.329 118.700 -0.787 0.000 2.421 479 N HA 0.068 4.809 4.740 0.001 0.000 0.260 479 N C 0.405 175.300 175.510 -1.025 0.000 1.173 479 N CA 0.556 53.203 53.050 -0.672 0.000 0.960 479 N CB 0.770 38.997 38.487 -0.433 0.000 1.273 479 N HN 0.832 nan 8.380 nan 0.000 0.497 480 A N 2.917 125.272 122.820 -0.775 0.000 2.239 480 A HA 0.152 4.473 4.320 0.001 0.000 0.209 480 A C 1.749 179.173 177.584 -0.266 0.000 1.171 480 A CA 1.048 52.783 52.037 -0.504 0.000 0.768 480 A CB -0.181 18.754 19.000 -0.109 0.000 0.790 480 A HN 0.684 nan 8.150 nan 0.000 0.478 481 A N -0.433 122.231 122.820 -0.259 0.000 1.887 481 A HA 0.078 4.399 4.320 0.001 0.000 0.210 481 A C 2.298 179.791 177.584 -0.151 0.000 1.221 481 A CA 1.750 53.692 52.037 -0.158 0.000 0.635 481 A CB -0.892 18.032 19.000 -0.127 0.000 0.881 481 A HN 0.653 nan 8.150 nan 0.000 0.456 482 T N -2.713 111.729 114.554 -0.186 0.000 3.067 482 T HA 0.160 4.510 4.350 0.001 0.000 0.261 482 T C 0.215 174.824 174.700 -0.151 0.000 1.110 482 T CA 0.920 62.935 62.100 -0.143 0.000 1.113 482 T CB -0.356 68.437 68.868 -0.125 0.000 0.917 482 T HN 0.576 nan 8.240 nan 0.000 0.499 483 E N 0.601 120.640 120.200 -0.270 0.000 2.386 483 E HA -0.115 4.236 4.350 0.001 0.000 0.263 483 E C -0.572 175.949 176.600 -0.132 0.000 1.080 483 E CA 0.263 56.533 56.400 -0.215 0.000 0.761 483 E CB -1.740 27.959 29.700 -0.000 0.000 1.311 483 E HN 0.765 nan 8.360 nan 0.000 0.396 484 E N -0.872 119.113 120.200 -0.358 0.000 2.445 484 E HA 0.619 4.970 4.350 0.001 0.000 0.273 484 E C -1.118 175.303 176.600 -0.298 0.000 0.961 484 E CA -0.839 55.471 56.400 -0.150 0.000 0.807 484 E CB 1.411 31.047 29.700 -0.106 0.000 1.362 484 E HN 0.078 nan 8.360 nan 0.000 0.453 485 Y N -0.520 119.774 120.300 -0.011 0.000 2.446 485 Y HA 0.730 5.281 4.550 0.001 0.000 0.345 485 Y C 0.548 176.293 175.900 -0.258 0.000 0.984 485 Y CA -0.193 57.843 58.100 -0.107 0.000 1.058 485 Y CB 2.461 40.949 38.460 0.047 0.000 1.220 485 Y HN 0.648 nan 8.280 nan 0.000 0.455 486 G N 1.262 109.782 108.800 -0.466 0.000 2.341 486 G HA2 0.063 4.023 3.960 0.001 0.000 0.299 486 G HA3 0.063 4.023 3.960 0.001 0.000 0.299 486 G C -1.808 172.794 174.900 -0.497 0.000 1.274 486 G CA -1.237 43.608 45.100 -0.425 0.000 0.853 486 G HN 0.444 nan 8.290 nan 0.000 0.493 487 N N 1.023 119.661 118.700 -0.103 0.000 2.427 487 N HA 0.102 4.842 4.740 0.001 0.000 0.269 487 N C 1.724 177.194 175.510 -0.066 0.000 1.235 487 N CA -0.236 52.805 53.050 -0.014 0.000 0.934 487 N CB 0.551 39.078 38.487 0.066 0.000 1.121 487 N HN 0.351 nan 8.380 nan 0.000 0.480 488 M N 3.550 123.106 119.600 -0.074 0.000 2.358 488 M HA -0.097 4.383 4.480 0.001 0.000 0.264 488 M C 1.435 177.708 176.300 -0.045 0.000 1.064 488 M CA 0.956 56.210 55.300 -0.077 0.000 1.093 488 M CB -0.429 32.135 32.600 -0.060 0.000 1.401 488 M HN 0.617 nan 8.290 nan 0.000 0.440 489 I N -0.098 120.460 120.570 -0.019 0.000 2.333 489 I HA -0.247 3.924 4.170 0.001 0.000 0.246 489 I C 1.821 177.930 176.117 -0.013 0.000 1.106 489 I CA 0.928 62.222 61.300 -0.010 0.000 1.411 489 I CB -0.402 37.601 38.000 0.005 0.000 1.082 489 I HN 0.179 nan 8.210 nan 0.000 0.420 490 D N 0.811 121.205 120.400 -0.010 0.000 2.117 490 D HA -0.134 4.506 4.640 0.001 0.000 0.198 490 D C 2.168 178.452 176.300 -0.026 0.000 0.982 490 D CA 1.348 55.342 54.000 -0.011 0.000 0.828 490 D CB -0.170 40.630 40.800 0.001 0.000 0.967 490 D HN 0.276 nan 8.370 nan 0.000 0.464 491 M N -0.487 119.086 119.600 -0.045 0.000 2.632 491 M HA 0.042 4.522 4.480 0.001 0.000 0.256 491 M C 1.095 177.356 176.300 -0.066 0.000 1.080 491 M CA 0.835 56.095 55.300 -0.067 0.000 1.084 491 M CB 0.136 32.674 32.600 -0.104 0.000 1.439 491 M HN 0.150 nan 8.290 nan 0.000 0.509 492 G N 1.048 109.819 108.800 -0.050 0.000 2.148 492 G HA2 -0.210 3.751 3.960 0.001 0.000 0.254 492 G HA3 -0.210 3.751 3.960 0.001 0.000 0.254 492 G C 0.114 174.984 174.900 -0.049 0.000 0.981 492 G CA -0.249 44.826 45.100 -0.042 0.000 0.670 492 G HN 0.413 nan 8.290 nan 0.000 0.528 493 I N 1.487 122.020 120.570 -0.062 0.000 2.410 493 I HA 0.391 4.562 4.170 0.001 0.000 0.288 493 I C 0.611 176.703 176.117 -0.042 0.000 1.106 493 I CA -0.567 60.695 61.300 -0.064 0.000 1.389 493 I CB -0.917 37.023 38.000 -0.101 0.000 1.561 493 I HN 0.290 nan 8.210 nan 0.000 0.605 494 L N 0.202 121.409 121.223 -0.027 0.000 2.322 494 L HA 0.879 5.219 4.340 0.001 0.000 0.269 494 L C -0.684 176.183 176.870 -0.006 0.000 1.012 494 L CA -0.621 54.212 54.840 -0.013 0.000 0.815 494 L CB 1.535 43.589 42.059 -0.008 0.000 1.295 494 L HN 0.019 nan 8.230 nan 0.000 0.438 495 D N -0.017 120.384 120.400 0.002 0.000 2.787 495 D HA 0.594 5.235 4.640 0.001 0.000 0.246 495 D C -2.826 173.482 176.300 0.013 0.000 1.150 495 D CA -1.727 52.278 54.000 0.009 0.000 0.864 495 D CB 2.425 43.231 40.800 0.011 0.000 1.481 495 D HN 0.427 nan 8.370 nan 0.000 0.509 496 P HA 0.097 nan 4.420 nan 0.000 0.267 496 P C 0.576 177.889 177.300 0.023 0.000 1.209 496 P CA -0.149 62.963 63.100 0.020 0.000 0.763 496 P CB 0.788 32.502 31.700 0.023 0.000 0.816 497 T N 2.450 117.016 114.554 0.021 0.000 2.778 497 T HA -0.209 4.141 4.350 0.001 0.000 0.269 497 T C 1.618 176.332 174.700 0.024 0.000 1.050 497 T CA 1.330 63.443 62.100 0.021 0.000 1.137 497 T CB -0.286 68.593 68.868 0.018 0.000 0.860 497 T HN 0.472 nan 8.240 nan 0.000 0.468 498 K N 0.695 121.111 120.400 0.027 0.000 2.152 498 K HA -0.113 4.208 4.320 0.001 0.000 0.206 498 K C 2.208 178.835 176.600 0.044 0.000 1.048 498 K CA 1.427 57.733 56.287 0.032 0.000 0.933 498 K CB -0.099 32.421 32.500 0.033 0.000 0.721 498 K HN 0.428 nan 8.250 nan 0.000 0.447 499 V N -3.125 116.816 119.914 0.044 0.000 2.825 499 V HA -0.032 4.088 4.120 0.001 0.000 0.246 499 V C 1.772 177.898 176.094 0.053 0.000 1.068 499 V CA 1.235 63.568 62.300 0.054 0.000 1.088 499 V CB -0.282 31.566 31.823 0.043 0.000 0.733 499 V HN 0.119 nan 8.190 nan 0.000 0.468 500 T N 0.748 115.325 114.554 0.039 0.000 2.674 500 T HA -0.196 4.155 4.350 0.001 0.000 0.265 500 T C 1.972 176.693 174.700 0.035 0.000 1.039 500 T CA 2.186 64.307 62.100 0.035 0.000 1.150 500 T CB -0.392 68.492 68.868 0.027 0.000 0.864 500 T HN 0.519 nan 8.240 nan 0.000 0.427 501 R N 1.034 121.550 120.500 0.027 0.000 2.083 501 R HA -0.110 4.230 4.340 0.001 0.000 0.237 501 R C 2.639 178.947 176.300 0.013 0.000 1.137 501 R CA 1.809 57.916 56.100 0.013 0.000 0.951 501 R CB -0.446 29.856 30.300 0.003 0.000 0.851 501 R HN 0.282 nan 8.270 nan 0.000 0.434 502 S N 0.474 116.200 115.700 0.043 0.000 2.370 502 S HA -0.156 4.314 4.470 0.001 0.000 0.226 502 S C 2.010 176.727 174.600 0.195 0.000 1.033 502 S CA 1.212 59.471 58.200 0.099 0.000 1.011 502 S CB -0.297 63.024 63.200 0.203 0.000 0.852 502 S HN 0.584 nan 8.310 nan 0.000 0.457 503 A N 1.299 124.208 122.820 0.148 0.000 1.908 503 A HA -0.054 4.267 4.320 0.001 0.000 0.218 503 A C 2.148 179.793 177.584 0.101 0.000 1.181 503 A CA 1.276 53.391 52.037 0.130 0.000 0.627 503 A CB -0.750 18.296 19.000 0.076 0.000 0.818 503 A HN 0.462 nan 8.150 nan 0.000 0.445 504 L N -0.960 120.299 121.223 0.059 0.000 2.027 504 L HA -0.230 4.110 4.340 0.001 0.000 0.206 504 L C 2.896 179.777 176.870 0.019 0.000 1.074 504 L CA 1.704 56.565 54.840 0.035 0.000 0.745 504 L CB -0.358 41.713 42.059 0.019 0.000 0.898 504 L HN 0.510 nan 8.230 nan 0.000 0.433 505 Q N -1.470 118.317 119.800 -0.022 0.000 2.123 505 Q HA -0.209 4.131 4.340 0.001 0.000 0.199 505 Q C 2.038 177.977 176.000 -0.101 0.000 0.966 505 Q CA 1.528 57.274 55.803 -0.096 0.000 0.845 505 Q CB -0.116 28.511 28.738 -0.185 0.000 0.907 505 Q HN 0.481 nan 8.270 nan 0.000 0.439 506 Y N 0.405 120.707 120.300 0.003 0.000 2.200 506 Y HA -0.179 4.371 4.550 0.001 0.000 0.290 506 Y C 2.406 178.308 175.900 0.004 0.000 1.137 506 Y CA 1.000 59.102 58.100 0.003 0.000 1.163 506 Y CB -0.631 37.830 38.460 0.001 0.000 0.988 506 Y HN 0.128 nan 8.280 nan 0.000 0.518 507 A N 0.143 123.057 122.820 0.156 0.000 1.883 507 A HA -0.196 4.124 4.320 0.001 0.000 0.217 507 A C 2.486 180.106 177.584 0.060 0.000 1.186 507 A CA 2.144 54.234 52.037 0.088 0.000 0.624 507 A CB -1.334 17.705 19.000 0.065 0.000 0.822 507 A HN 0.404 nan 8.150 nan 0.000 0.444 508 A N -1.010 121.834 122.820 0.041 0.000 1.908 508 A HA -0.120 4.201 4.320 0.001 0.000 0.218 508 A C 2.484 180.082 177.584 0.024 0.000 1.181 508 A CA 2.265 54.315 52.037 0.022 0.000 0.627 508 A CB -0.982 18.020 19.000 0.003 0.000 0.818 508 A HN 0.553 nan 8.150 nan 0.000 0.445 509 S N -0.445 115.273 115.700 0.031 0.000 2.348 509 S HA -0.159 4.312 4.470 0.001 0.000 0.221 509 S C 2.065 176.699 174.600 0.057 0.000 1.033 509 S CA 2.150 60.374 58.200 0.040 0.000 1.010 509 S CB -0.777 62.455 63.200 0.053 0.000 0.891 509 S HN 0.969 nan 8.310 nan 0.000 0.442 510 V N 0.422 120.382 119.914 0.076 0.000 2.626 510 V HA 0.107 4.228 4.120 0.001 0.000 0.252 510 V C 2.434 178.552 176.094 0.040 0.000 1.067 510 V CA 1.536 63.872 62.300 0.059 0.000 1.081 510 V CB -1.642 30.215 31.823 0.058 0.000 0.686 510 V HN 0.494 nan 8.190 nan 0.000 0.468 511 A N 1.621 124.463 122.820 0.037 0.000 1.873 511 A HA 0.066 4.387 4.320 0.001 0.000 0.215 511 A C 2.436 180.034 177.584 0.023 0.000 1.186 511 A CA 1.964 54.017 52.037 0.027 0.000 0.616 511 A CB -1.576 17.439 19.000 0.024 0.000 0.823 511 A HN 0.685 nan 8.150 nan 0.000 0.442 512 G N -0.364 108.450 108.800 0.023 0.000 2.442 512 G HA2 -0.128 3.833 3.960 0.001 0.000 0.219 512 G HA3 -0.128 3.833 3.960 0.001 0.000 0.219 512 G C 1.433 176.346 174.900 0.021 0.000 1.141 512 G CA 1.267 46.378 45.100 0.019 0.000 0.763 512 G HN 0.339 nan 8.290 nan 0.000 0.554 513 L N 0.243 121.482 121.223 0.026 0.000 1.976 513 L HA 0.040 4.381 4.340 0.001 0.000 0.209 513 L C 3.082 179.968 176.870 0.026 0.000 1.071 513 L CA 1.622 56.479 54.840 0.027 0.000 0.746 513 L CB -0.495 41.584 42.059 0.032 0.000 0.890 513 L HN 0.190 nan 8.230 nan 0.000 0.432 514 M N -1.569 118.046 119.600 0.025 0.000 2.374 514 M HA -0.177 4.304 4.480 0.001 0.000 0.264 514 M C 2.181 178.494 176.300 0.020 0.000 1.067 514 M CA 1.411 56.724 55.300 0.022 0.000 1.103 514 M CB -0.310 32.302 32.600 0.021 0.000 1.402 514 M HN 0.238 nan 8.290 nan 0.000 0.444 515 I N -0.198 120.384 120.570 0.020 0.000 2.286 515 I HA -0.221 3.949 4.170 0.001 0.000 0.245 515 I C 2.458 178.587 176.117 0.020 0.000 1.104 515 I CA 1.706 63.016 61.300 0.018 0.000 1.397 515 I CB -0.310 37.699 38.000 0.016 0.000 1.072 515 I HN 0.376 nan 8.210 nan 0.000 0.417 516 T N -3.857 110.710 114.554 0.022 0.000 3.022 516 T HA 0.105 4.456 4.350 0.001 0.000 0.250 516 T C 0.851 175.568 174.700 0.030 0.000 1.060 516 T CA -0.078 62.036 62.100 0.023 0.000 1.013 516 T CB -0.350 68.531 68.868 0.020 0.000 0.982 516 T HN -0.013 nan 8.240 nan 0.000 0.508 517 T N 3.189 117.761 114.554 0.031 0.000 2.761 517 T HA 0.233 4.583 4.350 0.001 0.000 0.296 517 T C 0.580 175.308 174.700 0.046 0.000 0.934 517 T CA -0.345 61.777 62.100 0.037 0.000 1.091 517 T CB 1.129 70.016 68.868 0.032 0.000 0.896 517 T HN 0.183 nan 8.240 nan 0.000 0.515 518 E N 0.739 120.977 120.200 0.064 0.000 2.498 518 E HA 0.169 4.519 4.350 0.001 0.000 0.203 518 E C 0.173 176.854 176.600 0.135 0.000 1.013 518 E CA 0.043 56.501 56.400 0.096 0.000 0.927 518 E CB 0.594 30.356 29.700 0.103 0.000 1.012 518 E HN 0.527 nan 8.360 nan 0.000 0.482 519 C N 0.808 120.157 119.300 0.082 0.000 2.811 519 C HA 0.568 5.028 4.460 0.001 0.000 0.352 519 C C -1.369 173.604 174.990 -0.028 0.000 1.098 519 C CA -0.636 58.392 59.018 0.017 0.000 1.295 519 C CB 0.338 28.140 27.740 0.103 0.000 1.758 519 C HN 0.109 nan 8.230 nan 0.000 0.488 520 M N 6.050 125.604 119.600 -0.076 0.000 2.134 520 M HA 0.414 4.894 4.480 0.001 0.000 0.310 520 M C -0.712 175.576 176.300 -0.019 0.000 0.966 520 M CA -0.502 54.807 55.300 0.014 0.000 0.922 520 M CB 1.750 34.456 32.600 0.178 0.000 1.537 520 M HN 0.396 nan 8.290 nan 0.000 0.424 521 V N 2.138 122.014 119.914 -0.063 0.000 2.432 521 V HA 0.390 4.511 4.120 0.001 0.000 0.275 521 V C 0.253 176.244 176.094 -0.172 0.000 1.043 521 V CA -0.207 62.035 62.300 -0.095 0.000 0.925 521 V CB 1.503 33.286 31.823 -0.067 0.000 0.985 521 V HN 0.841 nan 8.190 nan 0.000 0.466 522 T N 3.649 118.040 114.554 -0.272 0.000 2.856 522 T HA 0.303 4.654 4.350 0.001 0.000 0.283 522 T C -0.496 174.049 174.700 -0.259 0.000 1.008 522 T CA -0.514 61.320 62.100 -0.443 0.000 0.997 522 T CB 1.368 69.599 68.868 -1.062 0.000 0.992 522 T HN 0.822 nan 8.240 nan 0.000 0.454 523 D N 2.050 122.323 120.400 -0.212 0.000 2.451 523 D HA 0.348 4.988 4.640 0.001 0.000 0.259 523 D C 0.410 176.619 176.300 -0.152 0.000 1.201 523 D CA -0.360 53.555 54.000 -0.142 0.000 1.028 523 D CB 0.859 41.599 40.800 -0.100 0.000 1.095 523 D HN 0.461 nan 8.370 nan 0.000 0.539 524 L N 0.188 121.353 121.223 -0.095 0.000 2.473 524 L HA 0.513 4.854 4.340 0.001 0.000 0.268 524 L C -1.491 175.335 176.870 -0.073 0.000 1.215 524 L CA -0.381 54.415 54.840 -0.073 0.000 0.823 524 L CB 0.219 42.253 42.059 -0.041 0.000 1.099 524 L HN 0.465 nan 8.230 nan 0.000 0.483 525 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