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 2c7d_1_N 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 0.000 177.583 177.584 -0.001 0.000 1.274 3 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 3 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 4 K N 0.662 121.066 120.400 0.005 0.000 2.202 4 K HA 0.486 4.808 4.320 0.003 0.000 0.264 4 K C -0.549 176.073 176.600 0.038 0.000 1.010 4 K CA -0.121 56.172 56.287 0.010 0.000 0.940 4 K CB 1.248 33.756 32.500 0.014 0.000 0.983 4 K HN 0.714 nan 8.250 nan 0.000 0.475 5 D N -0.245 120.192 120.400 0.061 0.000 2.450 5 D HA 0.520 5.161 4.640 0.003 0.000 0.238 5 D C -1.499 174.898 176.300 0.160 0.000 1.020 5 D CA -0.719 53.356 54.000 0.126 0.000 1.010 5 D CB 1.560 42.473 40.800 0.189 0.000 1.342 5 D HN 0.199 nan 8.370 nan 0.000 0.530 6 V N -1.480 118.538 119.914 0.174 0.000 2.925 6 V HA 0.756 4.877 4.120 0.003 0.000 0.311 6 V C -1.376 174.782 176.094 0.106 0.000 1.104 6 V CA -0.795 61.587 62.300 0.137 0.000 0.954 6 V CB 1.915 33.767 31.823 0.047 0.000 1.022 6 V HN 0.526 nan 8.190 nan 0.000 0.427 7 K N 3.470 123.859 120.400 -0.017 0.000 2.507 7 K HA 0.647 4.968 4.320 0.003 0.000 0.251 7 K C -1.781 174.733 176.600 -0.142 0.000 0.943 7 K CA -0.290 55.942 56.287 -0.092 0.000 0.794 7 K CB 2.435 34.694 32.500 -0.403 0.000 1.188 7 K HN 0.632 nan 8.250 nan 0.000 0.428 8 F N 0.620 120.538 119.950 -0.053 0.000 2.450 8 F HA 0.542 5.070 4.527 0.002 0.000 0.328 8 F C 1.458 177.232 175.800 -0.044 0.000 1.068 8 F CA 0.699 58.681 58.000 -0.031 0.000 1.007 8 F CB 1.467 40.457 39.000 -0.017 0.000 1.251 8 F HN 0.834 nan 8.300 nan 0.000 0.492 9 G N 1.711 110.616 108.800 0.174 0.000 2.509 9 G HA2 -0.437 3.525 3.960 0.003 0.000 0.259 9 G HA3 -0.437 3.525 3.960 0.003 0.000 0.259 9 G C 0.777 175.701 174.900 0.039 0.000 1.169 9 G CA 0.601 45.761 45.100 0.101 0.000 0.953 9 G HN 0.858 nan 8.290 nan 0.000 0.563 10 N N 0.666 119.380 118.700 0.023 0.000 2.000 10 N HA -0.085 4.656 4.740 0.003 0.000 0.198 10 N C 1.782 177.284 175.510 -0.013 0.000 1.057 10 N CA 2.922 55.974 53.050 0.004 0.000 0.858 10 N CB -0.477 38.011 38.487 0.001 0.000 1.057 10 N HN 0.621 nan 8.380 nan 0.000 0.423 11 D N -0.632 119.750 120.400 -0.030 0.000 2.219 11 D HA 0.022 4.663 4.640 0.003 0.000 0.205 11 D C 1.806 178.050 176.300 -0.094 0.000 0.970 11 D CA 1.077 55.041 54.000 -0.060 0.000 0.851 11 D CB -0.214 40.540 40.800 -0.076 0.000 0.943 11 D HN 0.490 nan 8.370 nan 0.000 0.488 12 A N 0.886 123.647 122.820 -0.097 0.000 1.877 12 A HA -0.173 4.148 4.320 0.003 0.000 0.216 12 A C 2.105 179.669 177.584 -0.033 0.000 1.186 12 A CA 1.165 53.141 52.037 -0.101 0.000 0.620 12 A CB -0.376 18.572 19.000 -0.088 0.000 0.822 12 A HN 0.068 nan 8.150 nan 0.000 0.443 13 R N -0.696 119.796 120.500 -0.014 0.000 2.120 13 R HA -0.073 4.268 4.340 0.003 0.000 0.234 13 R C 2.004 178.305 176.300 0.002 0.000 1.123 13 R CA 1.333 57.434 56.100 0.001 0.000 0.975 13 R CB -0.481 29.823 30.300 0.007 0.000 0.866 13 R HN 0.405 nan 8.270 nan 0.000 0.446 14 V N 1.434 121.344 119.914 -0.006 0.000 2.343 14 V HA -0.252 3.870 4.120 0.003 0.000 0.247 14 V C 2.260 178.357 176.094 0.005 0.000 1.051 14 V CA 1.613 63.911 62.300 -0.003 0.000 1.036 14 V CB -0.349 31.468 31.823 -0.011 0.000 0.654 14 V HN 0.227 nan 8.190 nan 0.000 0.451 15 K N -0.512 119.889 120.400 0.002 0.000 2.057 15 K HA -0.147 4.174 4.320 0.003 0.000 0.207 15 K C 2.125 178.760 176.600 0.059 0.000 1.049 15 K CA 1.732 58.043 56.287 0.040 0.000 0.931 15 K CB -0.510 32.023 32.500 0.055 0.000 0.714 15 K HN 0.448 nan 8.250 nan 0.000 0.440 16 M N 0.659 120.288 119.600 0.048 0.000 2.065 16 M HA -0.224 4.258 4.480 0.003 0.000 0.259 16 M C 2.156 178.474 176.300 0.030 0.000 1.069 16 M CA 1.438 56.763 55.300 0.041 0.000 1.110 16 M CB -0.164 32.454 32.600 0.030 0.000 1.328 16 M HN 0.071 nan 8.290 nan 0.000 0.405 17 L N 0.580 121.817 121.223 0.023 0.000 1.989 17 L HA -0.214 4.127 4.340 0.003 0.000 0.211 17 L C 2.334 179.217 176.870 0.021 0.000 1.071 17 L CA 1.955 56.806 54.840 0.019 0.000 0.749 17 L CB -0.825 41.242 42.059 0.015 0.000 0.890 17 L HN 0.270 nan 8.230 nan 0.000 0.431 18 R N -0.613 119.901 120.500 0.023 0.000 2.112 18 R HA -0.199 4.143 4.340 0.003 0.000 0.242 18 R C 2.175 178.490 176.300 0.026 0.000 1.137 18 R CA 1.557 57.672 56.100 0.024 0.000 0.944 18 R CB -1.197 29.120 30.300 0.029 0.000 0.857 18 R HN 0.626 nan 8.270 nan 0.000 0.435 19 G N 0.108 108.928 108.800 0.033 0.000 2.418 19 G HA2 -0.220 3.742 3.960 0.003 0.000 0.217 19 G HA3 -0.220 3.742 3.960 0.003 0.000 0.217 19 G C 1.470 176.383 174.900 0.022 0.000 1.158 19 G CA 0.792 45.910 45.100 0.029 0.000 0.771 19 G HN 0.155 nan 8.290 nan 0.000 0.545 20 V N 1.403 121.330 119.914 0.021 0.000 2.261 20 V HA -0.241 3.881 4.120 0.003 0.000 0.246 20 V C 2.595 178.699 176.094 0.017 0.000 1.047 20 V CA 2.366 64.676 62.300 0.018 0.000 1.015 20 V CB -0.784 31.049 31.823 0.018 0.000 0.642 20 V HN 0.442 nan 8.190 nan 0.000 0.446 21 N N -0.184 118.526 118.700 0.017 0.000 2.084 21 N HA -0.149 4.593 4.740 0.003 0.000 0.190 21 N C 1.675 177.194 175.510 0.015 0.000 1.030 21 N CA 1.332 54.391 53.050 0.015 0.000 0.849 21 N CB -0.313 38.183 38.487 0.015 0.000 1.012 21 N HN 0.267 nan 8.380 nan 0.000 0.423 22 V N 1.421 121.344 119.914 0.016 0.000 2.469 22 V HA -0.173 3.949 4.120 0.003 0.000 0.251 22 V C 2.012 178.114 176.094 0.013 0.000 1.064 22 V CA 1.180 63.488 62.300 0.015 0.000 1.066 22 V CB -0.444 31.389 31.823 0.016 0.000 0.667 22 V HN 0.393 nan 8.190 nan 0.000 0.461 23 L N 0.130 121.361 121.223 0.013 0.000 2.056 23 L HA 0.099 4.441 4.340 0.003 0.000 0.202 23 L C 2.485 179.363 176.870 0.013 0.000 1.086 23 L CA 2.473 57.321 54.840 0.012 0.000 0.758 23 L CB -1.270 40.796 42.059 0.012 0.000 0.912 23 L HN 0.284 nan 8.230 nan 0.000 0.446 24 A N -0.529 122.300 122.820 0.014 0.000 1.898 24 A HA -0.183 4.138 4.320 0.003 0.000 0.216 24 A C 1.865 179.458 177.584 0.014 0.000 1.181 24 A CA 1.616 53.662 52.037 0.015 0.000 0.620 24 A CB -0.571 18.439 19.000 0.016 0.000 0.819 24 A HN 0.593 nan 8.150 nan 0.000 0.442 25 D N -0.228 120.180 120.400 0.013 0.000 2.317 25 D HA 0.101 4.742 4.640 0.003 0.000 0.211 25 D C 2.070 178.376 176.300 0.011 0.000 0.966 25 D CA 0.963 54.970 54.000 0.012 0.000 0.876 25 D CB 0.070 40.877 40.800 0.012 0.000 0.927 25 D HN 0.460 nan 8.370 nan 0.000 0.519 26 A N 0.870 123.696 122.820 0.011 0.000 1.854 26 A HA -0.080 4.241 4.320 0.003 0.000 0.214 26 A C 2.464 180.053 177.584 0.009 0.000 1.192 26 A CA 0.606 52.648 52.037 0.009 0.000 0.611 26 A CB -0.783 18.223 19.000 0.009 0.000 0.832 26 A HN 0.074 nan 8.150 nan 0.000 0.442 27 V N 0.568 120.488 119.914 0.010 0.000 2.453 27 V HA -0.320 3.802 4.120 0.003 0.000 0.252 27 V C 2.455 178.555 176.094 0.011 0.000 1.068 27 V CA 2.403 64.709 62.300 0.011 0.000 1.070 27 V CB -0.735 31.096 31.823 0.013 0.000 0.664 27 V HN 0.630 nan 8.190 nan 0.000 0.461 28 K N 0.086 120.492 120.400 0.011 0.000 2.293 28 K HA -0.196 4.125 4.320 0.003 0.000 0.204 28 K C 1.853 178.458 176.600 0.009 0.000 1.045 28 K CA 1.683 57.976 56.287 0.011 0.000 0.933 28 K CB -0.227 32.280 32.500 0.011 0.000 0.736 28 K HN 0.622 nan 8.250 nan 0.000 0.463 29 V N -1.627 118.292 119.914 0.008 0.000 3.141 29 V HA -0.117 4.005 4.120 0.003 0.000 0.265 29 V C 1.828 177.925 176.094 0.005 0.000 1.126 29 V CA 1.897 64.201 62.300 0.006 0.000 1.141 29 V CB -0.797 31.029 31.823 0.005 0.000 0.743 29 V HN 0.409 nan 8.190 nan 0.000 0.492 30 T N -2.246 112.311 114.554 0.005 0.000 3.057 30 T HA 0.228 4.580 4.350 0.003 0.000 0.254 30 T C 0.581 175.282 174.700 0.002 0.000 1.094 30 T CA 0.081 62.183 62.100 0.003 0.000 1.088 30 T CB -0.093 68.777 68.868 0.004 0.000 0.934 30 T HN 0.371 nan 8.240 nan 0.000 0.497 31 L N 2.331 123.557 121.223 0.004 0.000 2.349 31 L HA 0.616 4.958 4.340 0.003 0.000 0.275 31 L C 0.716 177.586 176.870 0.001 0.000 1.115 31 L CA 1.429 56.271 54.840 0.003 0.000 0.820 31 L CB 0.121 42.184 42.059 0.007 0.000 1.135 31 L HN 0.711 nan 8.230 nan 0.000 0.445 32 G N 4.364 113.161 108.800 -0.004 0.000 2.710 32 G HA2 -0.140 3.821 3.960 0.003 0.000 0.668 32 G HA3 -0.140 3.821 3.960 0.003 0.000 0.668 32 G C -2.338 172.553 174.900 -0.015 0.000 1.320 32 G CA -0.300 44.794 45.100 -0.010 0.000 0.860 32 G HN 0.551 nan 8.290 nan 0.000 0.538 33 P HA -0.003 nan 4.420 nan 0.000 0.216 33 P C 1.262 178.548 177.300 -0.023 0.000 1.153 33 P CA 1.478 64.559 63.100 -0.030 0.000 0.844 33 P CB 0.026 31.698 31.700 -0.048 0.000 0.787 34 K N -0.017 120.371 120.400 -0.019 0.000 2.487 34 K HA 0.162 4.484 4.320 0.003 0.000 0.192 34 K C 1.255 177.852 176.600 -0.005 0.000 1.027 34 K CA -0.071 56.209 56.287 -0.011 0.000 1.054 34 K CB -0.209 32.288 32.500 -0.005 0.000 0.824 34 K HN 0.126 nan 8.250 nan 0.000 0.510 35 G N 1.273 110.070 108.800 -0.005 0.000 2.415 35 G HA2 0.241 4.202 3.960 0.003 0.000 0.269 35 G HA3 0.241 4.202 3.960 0.003 0.000 0.269 35 G C -0.641 174.256 174.900 -0.004 0.000 1.209 35 G CA -0.516 44.583 45.100 -0.002 0.000 0.835 35 G HN 0.162 nan 8.290 nan 0.000 0.534 36 R N 1.281 121.780 120.500 -0.002 0.000 2.589 36 R HA 0.263 4.605 4.340 0.003 0.000 0.293 36 R C -0.554 175.744 176.300 -0.003 0.000 0.963 36 R CA -0.886 55.212 56.100 -0.003 0.000 0.905 36 R CB 1.410 31.708 30.300 -0.002 0.000 1.144 36 R HN 0.512 nan 8.270 nan 0.000 0.459 37 N N 0.166 118.863 118.700 -0.004 0.000 2.415 37 N HA 0.179 4.921 4.740 0.003 0.000 0.248 37 N C -0.784 174.723 175.510 -0.005 0.000 1.271 37 N CA -0.019 53.028 53.050 -0.005 0.000 0.913 37 N CB 0.741 39.224 38.487 -0.006 0.000 1.129 37 N HN 0.152 nan 8.380 nan 0.000 0.444 38 V N 0.829 120.740 119.914 -0.005 0.000 2.769 38 V HA 0.447 4.569 4.120 0.003 0.000 0.312 38 V C -0.316 175.773 176.094 -0.009 0.000 1.061 38 V CA -0.847 61.450 62.300 -0.005 0.000 0.931 38 V CB 2.095 33.917 31.823 -0.002 0.000 1.010 38 V HN 0.299 nan 8.190 nan 0.000 0.433 39 V N 5.279 125.186 119.914 -0.011 0.000 2.483 39 V HA 0.557 4.678 4.120 0.003 0.000 0.295 39 V C -0.432 175.651 176.094 -0.019 0.000 1.035 39 V CA -0.485 61.805 62.300 -0.017 0.000 0.896 39 V CB 1.590 33.402 31.823 -0.019 0.000 0.986 39 V HN 0.623 nan 8.190 nan 0.000 0.447 40 L N 3.437 124.644 121.223 -0.027 0.000 2.404 40 L HA 0.467 4.808 4.340 0.003 0.000 0.272 40 L C -0.833 176.005 176.870 -0.054 0.000 0.980 40 L CA -0.492 54.331 54.840 -0.029 0.000 0.836 40 L CB 1.983 44.030 42.059 -0.020 0.000 1.238 40 L HN 0.528 nan 8.230 nan 0.000 0.408 41 D N 3.795 124.160 120.400 -0.058 0.000 2.453 41 D HA 0.061 4.702 4.640 0.003 0.000 0.223 41 D C 0.191 176.401 176.300 -0.150 0.000 1.183 41 D CA -0.130 53.813 54.000 -0.095 0.000 0.933 41 D CB 0.648 41.406 40.800 -0.069 0.000 1.038 41 D HN 0.280 nan 8.370 nan 0.000 0.513 42 K N 1.871 122.118 120.400 -0.255 0.000 2.686 42 K HA -0.006 4.315 4.320 0.003 0.000 0.244 42 K C 1.456 177.515 176.600 -0.901 0.000 1.262 42 K CA -0.061 55.878 56.287 -0.580 0.000 1.199 42 K CB -0.114 32.051 32.500 -0.558 0.000 1.428 42 K HN 0.341 nan 8.250 nan 0.000 0.247 43 S N 0.376 115.797 115.700 -0.464 0.000 2.442 43 S HA -0.188 4.284 4.470 0.003 0.000 0.236 43 S C 1.742 176.219 174.600 -0.205 0.000 1.007 43 S CA 0.571 58.617 58.200 -0.258 0.000 0.965 43 S CB -0.606 62.541 63.200 -0.088 0.000 0.773 43 S HN 0.606 nan 8.310 nan 0.000 0.504 44 F N 1.490 121.438 119.950 -0.003 0.000 2.250 44 F HA 0.296 4.825 4.527 0.002 0.000 0.301 44 F C 1.845 177.643 175.800 -0.003 0.000 1.077 44 F CA 0.404 58.402 58.000 -0.003 0.000 1.348 44 F CB -1.027 37.971 39.000 -0.004 0.000 1.040 44 F HN 0.291 nan 8.300 nan 0.000 0.509 45 G N -0.197 108.407 108.800 -0.328 0.000 2.495 45 G HA2 0.628 4.590 3.960 0.003 0.000 0.219 45 G HA3 0.628 4.590 3.960 0.003 0.000 0.219 45 G C -0.393 174.398 174.900 -0.180 0.000 1.875 45 G CA 0.224 45.228 45.100 -0.160 0.000 0.757 45 G HN 0.691 nan 8.290 nan 0.000 0.682 46 A N -1.125 121.549 122.820 -0.243 0.000 2.586 46 A HA 0.728 5.049 4.320 0.003 0.000 0.291 46 A C -3.117 174.360 177.584 -0.178 0.000 1.062 46 A CA -0.835 51.103 52.037 -0.165 0.000 0.666 46 A CB 0.528 19.470 19.000 -0.096 0.000 1.281 46 A HN 0.203 nan 8.150 nan 0.000 0.421 47 P HA 0.369 nan 4.420 nan 0.000 0.268 47 P C -0.291 176.959 177.300 -0.084 0.000 1.208 47 P CA 0.498 63.536 63.100 -0.102 0.000 0.777 47 P CB 0.555 32.214 31.700 -0.069 0.000 0.875 48 T N 1.818 116.329 114.554 -0.070 0.000 2.907 48 T HA 0.684 5.036 4.350 0.003 0.000 0.292 48 T C -0.298 174.382 174.700 -0.033 0.000 1.043 48 T CA -0.209 61.862 62.100 -0.048 0.000 1.003 48 T CB 0.775 69.614 68.868 -0.047 0.000 1.084 48 T HN 0.080 nan 8.240 nan 0.000 0.483 49 I N 1.130 121.686 120.570 -0.024 0.000 2.689 49 I HA 0.750 4.922 4.170 0.003 0.000 0.299 49 I C 0.062 176.172 176.117 -0.011 0.000 1.059 49 I CA -0.398 60.892 61.300 -0.017 0.000 1.055 49 I CB 2.519 40.509 38.000 -0.016 0.000 1.243 49 I HN 0.607 nan 8.210 nan 0.000 0.425 50 T N 2.319 116.868 114.554 -0.008 0.000 2.802 50 T HA 0.369 4.721 4.350 0.003 0.000 0.311 50 T C -0.333 174.366 174.700 -0.003 0.000 1.405 50 T CA -0.544 61.554 62.100 -0.004 0.000 1.016 50 T CB 1.527 70.395 68.868 -0.001 0.000 1.352 50 T HN 0.717 nan 8.240 nan 0.000 0.498 51 K N 0.677 121.077 120.400 -0.001 0.000 2.374 51 K HA 0.225 4.547 4.320 0.003 0.000 0.202 51 K C -0.300 176.302 176.600 0.004 0.000 1.040 51 K CA -0.144 56.143 56.287 0.000 0.000 1.085 51 K CB 0.353 32.852 32.500 -0.002 0.000 0.873 51 K HN 0.589 nan 8.250 nan 0.000 0.539 52 D N -0.990 119.413 120.400 0.006 0.000 2.264 52 D HA 0.115 4.756 4.640 0.003 0.000 0.250 52 D C 1.116 177.422 176.300 0.011 0.000 1.113 52 D CA -0.130 53.876 54.000 0.010 0.000 0.871 52 D CB 1.599 42.406 40.800 0.012 0.000 1.167 52 D HN 0.112 nan 8.370 nan 0.000 0.447 53 G N 2.391 111.199 108.800 0.013 0.000 2.432 53 G HA2 -0.203 3.759 3.960 0.003 0.000 0.219 53 G HA3 -0.203 3.759 3.960 0.003 0.000 0.219 53 G C 1.390 176.299 174.900 0.015 0.000 1.135 53 G CA 0.618 45.727 45.100 0.014 0.000 0.767 53 G HN 0.469 nan 8.290 nan 0.000 0.550 54 V N 0.572 120.496 119.914 0.017 0.000 2.453 54 V HA -0.097 4.025 4.120 0.003 0.000 0.247 54 V C 2.962 179.064 176.094 0.013 0.000 1.048 54 V CA 2.444 64.754 62.300 0.016 0.000 1.049 54 V CB -0.175 31.658 31.823 0.017 0.000 0.672 54 V HN 0.354 nan 8.190 nan 0.000 0.457 55 S N -0.218 115.490 115.700 0.013 0.000 2.368 55 S HA -0.173 4.299 4.470 0.003 0.000 0.225 55 S C 1.901 176.508 174.600 0.011 0.000 1.030 55 S CA 1.627 59.834 58.200 0.012 0.000 0.999 55 S CB -0.234 62.972 63.200 0.010 0.000 0.844 55 S HN 0.471 nan 8.310 nan 0.000 0.459 56 V N 2.063 121.983 119.914 0.009 0.000 2.332 56 V HA -0.225 3.896 4.120 0.003 0.000 0.248 56 V C 2.648 178.748 176.094 0.010 0.000 1.055 56 V CA 1.772 64.077 62.300 0.008 0.000 1.038 56 V CB -1.222 30.605 31.823 0.007 0.000 0.651 56 V HN 0.549 nan 8.190 nan 0.000 0.450 57 A N -0.254 122.573 122.820 0.011 0.000 1.898 57 A HA -0.221 4.101 4.320 0.003 0.000 0.216 57 A C 2.356 179.946 177.584 0.012 0.000 1.181 57 A CA 1.769 53.813 52.037 0.011 0.000 0.620 57 A CB -0.517 18.489 19.000 0.011 0.000 0.819 57 A HN 0.486 nan 8.150 nan 0.000 0.442 58 R N -0.228 120.280 120.500 0.013 0.000 2.105 58 R HA -0.116 4.226 4.340 0.003 0.000 0.239 58 R C 1.320 177.633 176.300 0.022 0.000 1.135 58 R CA 1.426 57.535 56.100 0.015 0.000 0.967 58 R CB -0.137 30.174 30.300 0.017 0.000 0.861 58 R HN 0.454 nan 8.270 nan 0.000 0.442 59 E N 0.201 120.417 120.200 0.025 0.000 2.502 59 E HA 0.005 4.356 4.350 0.003 0.000 0.194 59 E C 0.111 176.727 176.600 0.026 0.000 1.062 59 E CA 0.298 56.718 56.400 0.034 0.000 0.867 59 E CB 0.204 29.922 29.700 0.031 0.000 0.888 59 E HN 0.204 nan 8.360 nan 0.000 0.510 60 I N 1.655 122.235 120.570 0.018 0.000 2.371 60 I HA 0.221 4.393 4.170 0.003 0.000 0.290 60 I C 0.303 176.426 176.117 0.009 0.000 1.028 60 I CA -0.239 61.069 61.300 0.013 0.000 1.345 60 I CB 0.482 38.489 38.000 0.010 0.000 1.407 60 I HN -0.057 nan 8.210 nan 0.000 0.501 61 E N 6.427 126.632 120.200 0.008 0.000 2.307 61 E HA 0.331 4.683 4.350 0.003 0.000 0.280 61 E C -1.033 175.567 176.600 -0.001 0.000 0.900 61 E CA -0.573 55.827 56.400 -0.000 0.000 0.790 61 E CB 1.816 31.515 29.700 -0.001 0.000 1.261 61 E HN 0.300 nan 8.360 nan 0.000 0.405 62 L N 2.670 123.890 121.223 -0.006 0.000 2.699 62 L HA 0.369 4.711 4.340 0.003 0.000 0.146 62 L C 1.182 178.047 176.870 -0.008 0.000 1.639 62 L CA 0.851 55.690 54.840 -0.003 0.000 2.637 62 L CB -0.295 41.765 42.059 0.001 0.000 2.909 62 L HN 0.937 nan 8.230 nan 0.000 0.694 63 E N -1.955 118.239 120.200 -0.010 0.000 1.845 63 E HA -0.056 4.296 4.350 0.003 0.000 0.211 63 E C -0.078 176.515 176.600 -0.012 0.000 1.033 63 E CA -0.159 56.233 56.400 -0.014 0.000 1.310 63 E CB 0.304 30.002 29.700 -0.003 0.000 4.050 63 E HN 0.578 nan 8.360 nan 0.000 0.920 64 D N 1.703 122.109 120.400 0.010 0.000 2.434 64 D HA -0.032 4.610 4.640 0.003 0.000 0.252 64 D C 0.735 177.019 176.300 -0.027 0.000 1.185 64 D CA 0.310 54.330 54.000 0.032 0.000 0.886 64 D CB 0.928 41.779 40.800 0.085 0.000 1.148 64 D HN 0.072 nan 8.370 nan 0.000 0.483 65 K N 3.537 123.848 120.400 -0.147 0.000 2.116 65 K HA -0.073 4.248 4.320 0.003 0.000 0.203 65 K C 1.851 178.263 176.600 -0.313 0.000 1.052 65 K CA 0.815 56.914 56.287 -0.313 0.000 0.952 65 K CB -0.208 31.962 32.500 -0.550 0.000 0.729 65 K HN 0.491 nan 8.250 nan 0.000 0.446 66 F N 1.835 121.775 119.950 -0.016 0.000 2.206 66 F HA -0.044 4.484 4.527 0.002 0.000 0.298 66 F C 2.196 177.986 175.800 -0.016 0.000 1.090 66 F CA 0.932 58.920 58.000 -0.020 0.000 1.323 66 F CB -0.404 38.584 39.000 -0.019 0.000 1.028 66 F HN 0.084 nan 8.300 nan 0.000 0.492 67 E N -0.001 120.292 120.200 0.155 0.000 2.107 67 E HA -0.197 4.154 4.350 0.003 0.000 0.191 67 E C 1.759 178.380 176.600 0.034 0.000 0.982 67 E CA 0.969 57.417 56.400 0.081 0.000 0.809 67 E CB -0.300 29.444 29.700 0.072 0.000 0.756 67 E HN 0.295 nan 8.360 nan 0.000 0.459 68 N N 0.771 119.472 118.700 0.003 0.000 2.149 68 N HA -0.153 4.589 4.740 0.003 0.000 0.188 68 N C 1.704 177.202 175.510 -0.020 0.000 1.019 68 N CA 1.239 54.277 53.050 -0.019 0.000 0.857 68 N CB 0.028 38.485 38.487 -0.049 0.000 0.997 68 N HN 0.089 nan 8.380 nan 0.000 0.426 69 M N -0.890 118.697 119.600 -0.022 0.000 2.108 69 M HA -0.074 4.408 4.480 0.003 0.000 0.261 69 M C 2.172 178.474 176.300 0.003 0.000 1.066 69 M CA 1.701 56.993 55.300 -0.014 0.000 1.107 69 M CB -0.615 31.982 32.600 -0.005 0.000 1.356 69 M HN 0.304 nan 8.290 nan 0.000 0.406 70 G N -0.076 108.735 108.800 0.018 0.000 2.421 70 G HA2 -0.133 3.829 3.960 0.003 0.000 0.216 70 G HA3 -0.133 3.829 3.960 0.003 0.000 0.216 70 G C 1.631 176.537 174.900 0.011 0.000 1.171 70 G CA 0.966 46.078 45.100 0.018 0.000 0.775 70 G HN 0.539 nan 8.290 nan 0.000 0.543 71 A N -0.017 122.809 122.820 0.010 0.000 1.940 71 A HA -0.091 4.230 4.320 0.003 0.000 0.219 71 A C 2.384 179.968 177.584 0.001 0.000 1.176 71 A CA 1.943 53.984 52.037 0.007 0.000 0.631 71 A CB -0.377 18.627 19.000 0.006 0.000 0.814 71 A HN 0.336 nan 8.150 nan 0.000 0.446 72 Q N -0.748 119.049 119.800 -0.005 0.000 2.084 72 Q HA -0.153 4.188 4.340 0.003 0.000 0.202 72 Q C 2.212 178.207 176.000 -0.009 0.000 0.978 72 Q CA 1.669 57.466 55.803 -0.010 0.000 0.844 72 Q CB -0.399 28.329 28.738 -0.017 0.000 0.898 72 Q HN 0.789 nan 8.270 nan 0.000 0.426 73 M N 0.071 119.667 119.600 -0.006 0.000 2.077 73 M HA -0.144 4.338 4.480 0.003 0.000 0.261 73 M C 2.284 178.583 176.300 -0.002 0.000 1.070 73 M CA 1.490 56.787 55.300 -0.006 0.000 1.125 73 M CB -0.411 32.188 32.600 -0.002 0.000 1.339 73 M HN 0.095 nan 8.290 nan 0.000 0.409 74 V N -1.655 118.262 119.914 0.005 0.000 2.970 74 V HA -0.134 3.988 4.120 0.003 0.000 0.260 74 V C 2.100 178.199 176.094 0.009 0.000 1.100 74 V CA 1.411 63.717 62.300 0.010 0.000 1.122 74 V CB -1.181 30.651 31.823 0.014 0.000 0.721 74 V HN 0.446 nan 8.190 nan 0.000 0.483 75 K N 1.127 121.530 120.400 0.004 0.000 2.002 75 K HA -0.263 4.059 4.320 0.003 0.000 0.209 75 K C 2.305 178.904 176.600 -0.002 0.000 1.048 75 K CA 2.189 58.477 56.287 0.003 0.000 0.930 75 K CB -0.196 32.304 32.500 0.000 0.000 0.714 75 K HN 0.609 nan 8.250 nan 0.000 0.438 76 E N 0.118 120.312 120.200 -0.010 0.000 2.106 76 E HA -0.132 4.220 4.350 0.003 0.000 0.192 76 E C 1.894 178.476 176.600 -0.030 0.000 0.984 76 E CA 0.662 57.048 56.400 -0.022 0.000 0.806 76 E CB 0.124 29.807 29.700 -0.029 0.000 0.750 76 E HN 0.189 nan 8.360 nan 0.000 0.458 77 V N 0.466 120.368 119.914 -0.020 0.000 2.490 77 V HA -0.224 3.897 4.120 0.003 0.000 0.250 77 V C 2.048 178.151 176.094 0.014 0.000 1.061 77 V CA 1.978 64.269 62.300 -0.016 0.000 1.064 77 V CB -0.272 31.558 31.823 0.012 0.000 0.670 77 V HN 0.455 nan 8.190 nan 0.000 0.461 78 A N -1.721 121.112 122.820 0.021 0.000 2.016 78 A HA -0.110 4.212 4.320 0.003 0.000 0.217 78 A C 2.458 180.057 177.584 0.025 0.000 1.162 78 A CA 1.716 53.774 52.037 0.035 0.000 0.662 78 A CB -0.549 18.467 19.000 0.028 0.000 0.812 78 A HN 0.509 nan 8.150 nan 0.000 0.450 79 S N -0.636 115.066 115.700 0.003 0.000 2.383 79 S HA -0.099 4.373 4.470 0.003 0.000 0.227 79 S C 2.126 176.714 174.600 -0.020 0.000 1.026 79 S CA 1.163 59.359 58.200 -0.007 0.000 0.981 79 S CB -0.215 62.975 63.200 -0.017 0.000 0.818 79 S HN 0.420 nan 8.310 nan 0.000 0.472 80 K N 1.407 121.771 120.400 -0.060 0.000 2.281 80 K HA 0.029 4.351 4.320 0.003 0.000 0.203 80 K C 1.781 178.368 176.600 -0.021 0.000 1.046 80 K CA 1.044 57.244 56.287 -0.146 0.000 0.938 80 K CB -0.506 31.794 32.500 -0.334 0.000 0.737 80 K HN 0.387 nan 8.250 nan 0.000 0.458 81 A N 0.942 123.822 122.820 0.100 0.000 1.844 81 A HA -0.085 4.237 4.320 0.003 0.000 0.212 81 A C 2.060 179.702 177.584 0.097 0.000 1.221 81 A CA 1.181 53.322 52.037 0.175 0.000 0.607 81 A CB -0.683 18.411 19.000 0.156 0.000 0.878 81 A HN 0.384 nan 8.150 nan 0.000 0.451 82 N N -0.033 118.702 118.700 0.059 0.000 2.223 82 N HA -0.150 4.592 4.740 0.003 0.000 0.185 82 N C 0.255 175.785 175.510 0.033 0.000 1.016 82 N CA 1.486 54.562 53.050 0.044 0.000 0.863 82 N CB -0.140 38.366 38.487 0.032 0.000 0.983 82 N HN 0.385 nan 8.380 nan 0.000 0.429 83 D N -0.617 119.795 120.400 0.021 0.000 2.339 83 D HA 0.109 4.751 4.640 0.003 0.000 0.217 83 D C 0.902 177.204 176.300 0.003 0.000 1.050 83 D CA 0.138 54.141 54.000 0.005 0.000 0.856 83 D CB 0.644 41.440 40.800 -0.007 0.000 0.922 83 D HN 0.345 nan 8.370 nan 0.000 0.518 84 A N -0.168 122.669 122.820 0.028 0.000 2.141 84 A HA 0.576 4.897 4.320 0.003 0.000 0.201 84 A C 1.615 179.235 177.584 0.060 0.000 1.344 84 A CA 0.671 52.732 52.037 0.041 0.000 0.971 84 A CB 0.724 19.766 19.000 0.070 0.000 1.035 84 A HN 0.125 nan 8.150 nan 0.000 0.480 85 A N -2.524 120.342 122.820 0.077 0.000 2.530 85 A HA 0.494 4.815 4.320 0.003 0.000 0.214 85 A C 1.762 179.389 177.584 0.073 0.000 1.352 85 A CA 1.225 53.308 52.037 0.076 0.000 1.035 85 A CB -0.213 18.838 19.000 0.085 0.000 1.296 85 A HN 1.927 nan 8.150 nan 0.000 0.563 86 G N 0.405 109.246 108.800 0.068 0.000 4.655 86 G HA2 -0.350 3.612 3.960 0.003 0.000 0.220 86 G HA3 -0.350 3.612 3.960 0.003 0.000 0.220 86 G C 0.332 175.262 174.900 0.051 0.000 1.403 86 G CA 0.634 45.772 45.100 0.064 0.000 0.931 86 G HN 0.717 nan 8.290 nan 0.000 0.654 87 D N 1.375 121.802 120.400 0.045 0.000 2.377 87 D HA 0.485 5.126 4.640 0.003 0.000 0.245 87 D C 1.530 177.850 176.300 0.033 0.000 1.196 87 D CA 1.585 55.604 54.000 0.031 0.000 0.962 87 D CB 0.339 41.152 40.800 0.021 0.000 1.127 87 D HN 1.721 nan 8.370 nan 0.000 0.471 88 G N 0.155 108.969 108.800 0.023 0.000 2.148 88 G HA2 -0.330 3.632 3.960 0.003 0.000 0.254 88 G HA3 -0.330 3.632 3.960 0.003 0.000 0.254 88 G C 1.104 176.024 174.900 0.032 0.000 0.981 88 G CA 1.528 46.641 45.100 0.021 0.000 0.670 88 G HN 0.703 nan 8.290 nan 0.000 0.528 89 T N -2.252 112.323 114.554 0.035 0.000 2.622 89 T HA -0.168 4.183 4.350 0.003 0.000 0.266 89 T C 2.242 176.961 174.700 0.032 0.000 1.047 89 T CA 2.648 64.772 62.100 0.039 0.000 1.159 89 T CB -0.887 68.000 68.868 0.033 0.000 0.863 89 T HN 0.416 nan 8.240 nan 0.000 0.422 90 T N 1.780 116.348 114.554 0.023 0.000 2.833 90 T HA -0.072 4.279 4.350 0.003 0.000 0.269 90 T C 2.249 176.961 174.700 0.020 0.000 1.054 90 T CA 1.714 63.825 62.100 0.020 0.000 1.135 90 T CB -0.918 67.959 68.868 0.014 0.000 0.869 90 T HN 0.579 nan 8.240 nan 0.000 0.466 91 T N 2.204 116.769 114.554 0.019 0.000 2.708 91 T HA -0.022 4.329 4.350 0.003 0.000 0.266 91 T C 2.480 177.192 174.700 0.021 0.000 1.037 91 T CA 1.120 63.230 62.100 0.016 0.000 1.146 91 T CB -0.608 68.266 68.868 0.011 0.000 0.865 91 T HN 0.444 nan 8.240 nan 0.000 0.435 92 A N 1.551 124.389 122.820 0.031 0.000 1.940 92 A HA -0.146 4.176 4.320 0.003 0.000 0.219 92 A C 2.554 180.163 177.584 0.042 0.000 1.176 92 A CA 2.105 54.170 52.037 0.045 0.000 0.631 92 A CB -1.273 17.773 19.000 0.077 0.000 0.814 92 A HN 0.500 nan 8.150 nan 0.000 0.446 93 T N -0.620 113.955 114.554 0.035 0.000 2.777 93 T HA -0.080 4.272 4.350 0.003 0.000 0.266 93 T C 1.846 176.560 174.700 0.024 0.000 1.040 93 T CA 1.318 63.435 62.100 0.029 0.000 1.141 93 T CB -0.387 68.496 68.868 0.025 0.000 0.868 93 T HN 0.137 nan 8.240 nan 0.000 0.444 94 V N 1.585 121.512 119.914 0.021 0.000 2.332 94 V HA -0.134 3.987 4.120 0.003 0.000 0.248 94 V C 2.447 178.552 176.094 0.019 0.000 1.055 94 V CA 1.517 63.828 62.300 0.018 0.000 1.038 94 V CB -0.605 31.228 31.823 0.016 0.000 0.651 94 V HN 0.447 nan 8.190 nan 0.000 0.450 95 L N -0.364 120.872 121.223 0.021 0.000 2.056 95 L HA -0.105 4.236 4.340 0.003 0.000 0.207 95 L C 2.722 179.606 176.870 0.024 0.000 1.078 95 L CA 1.424 56.277 54.840 0.021 0.000 0.749 95 L CB -0.817 41.254 42.059 0.020 0.000 0.901 95 L HN 0.350 nan 8.230 nan 0.000 0.433 96 A N 0.838 123.675 122.820 0.028 0.000 1.858 96 A HA -0.285 4.036 4.320 0.003 0.000 0.216 96 A C 2.207 179.805 177.584 0.023 0.000 1.190 96 A CA 1.978 54.032 52.037 0.028 0.000 0.617 96 A CB -0.640 18.379 19.000 0.032 0.000 0.827 96 A HN 0.570 nan 8.150 nan 0.000 0.443 97 Q N 0.096 119.908 119.800 0.020 0.000 2.124 97 Q HA 0.056 4.398 4.340 0.003 0.000 0.202 97 Q C 1.879 177.889 176.000 0.016 0.000 0.977 97 Q CA 2.225 58.038 55.803 0.018 0.000 0.850 97 Q CB -0.917 27.831 28.738 0.016 0.000 0.901 97 Q HN 0.489 nan 8.270 nan 0.000 0.429 98 A N 1.082 123.912 122.820 0.016 0.000 1.855 98 A HA -0.059 4.262 4.320 0.003 0.000 0.215 98 A C 2.253 179.846 177.584 0.016 0.000 1.191 98 A CA 1.528 53.574 52.037 0.015 0.000 0.613 98 A CB -0.746 18.263 19.000 0.015 0.000 0.829 98 A HN 0.416 nan 8.150 nan 0.000 0.442 99 I N -0.356 120.224 120.570 0.017 0.000 2.315 99 I HA -0.226 3.946 4.170 0.003 0.000 0.248 99 I C 2.268 178.395 176.117 0.017 0.000 1.117 99 I CA 1.124 62.434 61.300 0.018 0.000 1.404 99 I CB -0.328 37.684 38.000 0.020 0.000 1.071 99 I HN 0.299 nan 8.210 nan 0.000 0.419 100 I N 0.324 120.905 120.570 0.018 0.000 2.179 100 I HA -0.260 3.912 4.170 0.003 0.000 0.242 100 I C 2.556 178.682 176.117 0.015 0.000 1.088 100 I CA 1.573 62.883 61.300 0.017 0.000 1.357 100 I CB -0.598 37.412 38.000 0.018 0.000 1.051 100 I HN 0.209 nan 8.210 nan 0.000 0.409 101 T N 0.077 114.640 114.554 0.014 0.000 2.708 101 T HA -0.135 4.217 4.350 0.003 0.000 0.266 101 T C 1.780 176.487 174.700 0.012 0.000 1.037 101 T CA 1.176 63.283 62.100 0.013 0.000 1.146 101 T CB -0.164 68.711 68.868 0.012 0.000 0.865 101 T HN 0.268 nan 8.240 nan 0.000 0.435 102 E N 0.601 120.808 120.200 0.012 0.000 2.285 102 E HA 0.049 4.401 4.350 0.003 0.000 0.194 102 E C 2.426 179.033 176.600 0.012 0.000 0.997 102 E CA 0.648 57.055 56.400 0.011 0.000 0.845 102 E CB -0.495 29.212 29.700 0.011 0.000 0.782 102 E HN 0.577 nan 8.360 nan 0.000 0.491 103 G N 0.876 109.684 108.800 0.013 0.000 2.411 103 G HA2 -0.119 3.842 3.960 0.003 0.000 0.213 103 G HA3 -0.119 3.842 3.960 0.003 0.000 0.213 103 G C 1.717 176.625 174.900 0.013 0.000 1.166 103 G CA -0.011 45.097 45.100 0.013 0.000 0.802 103 G HN 0.140 nan 8.290 nan 0.000 0.533 104 L N 0.290 121.521 121.223 0.013 0.000 2.083 104 L HA -0.056 4.286 4.340 0.003 0.000 0.209 104 L C 2.795 179.672 176.870 0.011 0.000 1.083 104 L CA 1.379 56.226 54.840 0.012 0.000 0.752 104 L CB -0.275 41.791 42.059 0.012 0.000 0.899 104 L HN 0.211 nan 8.230 nan 0.000 0.433 105 K N 0.435 120.842 120.400 0.010 0.000 2.063 105 K HA -0.221 4.100 4.320 0.003 0.000 0.208 105 K C 2.109 178.715 176.600 0.009 0.000 1.048 105 K CA 1.484 57.776 56.287 0.009 0.000 0.928 105 K CB -0.075 32.430 32.500 0.009 0.000 0.713 105 K HN 0.292 nan 8.250 nan 0.000 0.442 106 A N 0.548 123.374 122.820 0.010 0.000 1.930 106 A HA -0.084 4.238 4.320 0.003 0.000 0.217 106 A C 2.200 179.790 177.584 0.010 0.000 1.175 106 A CA 1.407 53.450 52.037 0.009 0.000 0.627 106 A CB -0.495 18.511 19.000 0.010 0.000 0.815 106 A HN 0.174 nan 8.150 nan 0.000 0.443 107 V N -0.105 119.816 119.914 0.011 0.000 2.407 107 V HA -0.258 3.864 4.120 0.003 0.000 0.248 107 V C 2.976 179.076 176.094 0.011 0.000 1.055 107 V CA 1.907 64.214 62.300 0.012 0.000 1.049 107 V CB -1.111 30.721 31.823 0.014 0.000 0.662 107 V HN 0.602 nan 8.190 nan 0.000 0.455 108 A N -0.252 122.574 122.820 0.010 0.000 2.067 108 A HA 0.080 4.402 4.320 0.003 0.000 0.219 108 A C 2.236 179.824 177.584 0.007 0.000 1.158 108 A CA 1.456 53.498 52.037 0.008 0.000 0.661 108 A CB -0.459 18.546 19.000 0.008 0.000 0.801 108 A HN 0.567 nan 8.150 nan 0.000 0.452 109 A N -1.777 121.047 122.820 0.007 0.000 2.206 109 A HA 0.400 4.721 4.320 0.003 0.000 0.211 109 A C 1.756 179.344 177.584 0.006 0.000 1.158 109 A CA 1.254 53.295 52.037 0.006 0.000 0.761 109 A CB -0.744 18.259 19.000 0.006 0.000 0.801 109 A HN 1.782 nan 8.150 nan 0.000 0.473 110 G N -2.339 106.465 108.800 0.007 0.000 2.159 110 G HA2 -0.205 3.757 3.960 0.003 0.000 0.227 110 G HA3 -0.205 3.757 3.960 0.003 0.000 0.227 110 G C 0.015 174.920 174.900 0.008 0.000 0.986 110 G CA 0.246 45.350 45.100 0.007 0.000 0.651 110 G HN 0.308 nan 8.290 nan 0.000 0.523 111 M N 1.050 120.655 119.600 0.008 0.000 2.242 111 M HA 0.369 4.851 4.480 0.003 0.000 0.344 111 M C 0.695 177.002 176.300 0.010 0.000 1.140 111 M CA -0.753 54.553 55.300 0.009 0.000 1.160 111 M CB 0.415 33.020 32.600 0.009 0.000 1.491 111 M HN 0.212 nan 8.290 nan 0.000 0.459 112 N N 3.237 121.943 118.700 0.010 0.000 2.414 112 N HA 0.021 4.763 4.740 0.003 0.000 0.268 112 N C -2.035 173.482 175.510 0.012 0.000 1.286 112 N CA -1.213 51.844 53.050 0.011 0.000 0.896 112 N CB 0.542 39.035 38.487 0.010 0.000 1.093 112 N HN 0.289 nan 8.380 nan 0.000 0.480 113 P HA -0.144 nan 4.420 nan 0.000 0.218 113 P C 1.243 178.552 177.300 0.015 0.000 1.146 113 P CA 1.143 64.252 63.100 0.015 0.000 0.813 113 P CB 0.172 31.882 31.700 0.017 0.000 0.778 114 M N -1.026 118.583 119.600 0.014 0.000 2.236 114 M HA -0.064 4.418 4.480 0.003 0.000 0.266 114 M C 1.372 177.679 176.300 0.013 0.000 1.070 114 M CA 1.631 56.940 55.300 0.014 0.000 1.137 114 M CB -0.822 31.786 32.600 0.013 0.000 1.378 114 M HN -0.240 nan 8.290 nan 0.000 0.426 115 D N -0.454 119.953 120.400 0.012 0.000 2.194 115 D HA -0.038 4.603 4.640 0.003 0.000 0.204 115 D C 2.050 178.357 176.300 0.011 0.000 0.964 115 D CA 0.946 54.953 54.000 0.011 0.000 0.846 115 D CB -0.088 40.717 40.800 0.010 0.000 0.962 115 D HN 0.327 nan 8.370 nan 0.000 0.490 116 L N 0.822 122.052 121.223 0.012 0.000 2.042 116 L HA -0.207 4.135 4.340 0.003 0.000 0.210 116 L C 2.542 179.420 176.870 0.013 0.000 1.076 116 L CA 1.264 56.112 54.840 0.012 0.000 0.749 116 L CB -0.315 41.751 42.059 0.012 0.000 0.893 116 L HN -0.018 nan 8.230 nan 0.000 0.432 117 K N 0.312 120.720 120.400 0.014 0.000 2.002 117 K HA -0.199 4.122 4.320 0.003 0.000 0.209 117 K C 2.277 178.886 176.600 0.015 0.000 1.048 117 K CA 1.441 57.737 56.287 0.015 0.000 0.930 117 K CB -0.019 32.490 32.500 0.016 0.000 0.714 117 K HN 0.176 nan 8.250 nan 0.000 0.438 118 R N -0.568 119.940 120.500 0.013 0.000 2.127 118 R HA -0.122 4.220 4.340 0.003 0.000 0.238 118 R C 2.367 178.674 176.300 0.011 0.000 1.134 118 R CA 1.334 57.441 56.100 0.012 0.000 0.975 118 R CB -0.370 29.936 30.300 0.011 0.000 0.865 118 R HN 0.384 nan 8.270 nan 0.000 0.447 119 G N 0.803 109.610 108.800 0.011 0.000 2.396 119 G HA2 -0.162 3.799 3.960 0.003 0.000 0.214 119 G HA3 -0.162 3.799 3.960 0.003 0.000 0.214 119 G C 1.429 176.336 174.900 0.011 0.000 1.166 119 G CA 0.250 45.356 45.100 0.010 0.000 0.793 119 G HN 0.121 nan 8.290 nan 0.000 0.533 120 I N 1.147 121.725 120.570 0.013 0.000 2.127 120 I HA -0.190 3.981 4.170 0.003 0.000 0.241 120 I C 2.400 178.526 176.117 0.014 0.000 1.075 120 I CA 1.600 62.908 61.300 0.014 0.000 1.334 120 I CB -0.263 37.747 38.000 0.016 0.000 1.040 120 I HN 0.066 nan 8.210 nan 0.000 0.405 121 D N 0.571 120.980 120.400 0.015 0.000 2.123 121 D HA -0.219 4.423 4.640 0.003 0.000 0.196 121 D C 2.131 178.438 176.300 0.012 0.000 0.992 121 D CA 1.176 55.185 54.000 0.016 0.000 0.833 121 D CB -0.155 40.656 40.800 0.018 0.000 0.954 121 D HN 0.195 nan 8.370 nan 0.000 0.455 122 K N 0.229 120.636 120.400 0.011 0.000 2.097 122 K HA -0.104 4.217 4.320 0.003 0.000 0.206 122 K C 1.948 178.553 176.600 0.008 0.000 1.049 122 K CA 1.225 57.518 56.287 0.009 0.000 0.933 122 K CB -0.053 32.452 32.500 0.008 0.000 0.717 122 K HN 0.098 nan 8.250 nan 0.000 0.442 123 A N 0.470 123.295 122.820 0.008 0.000 1.930 123 A HA -0.078 4.244 4.320 0.003 0.000 0.217 123 A C 2.192 179.779 177.584 0.005 0.000 1.175 123 A CA 1.304 53.346 52.037 0.007 0.000 0.627 123 A CB -0.498 18.507 19.000 0.008 0.000 0.815 123 A HN 0.156 nan 8.150 nan 0.000 0.443 124 V N 0.036 119.954 119.914 0.006 0.000 2.287 124 V HA -0.264 3.858 4.120 0.003 0.000 0.248 124 V C 2.783 178.877 176.094 0.000 0.000 1.053 124 V CA 2.582 64.884 62.300 0.003 0.000 1.027 124 V CB -1.313 30.515 31.823 0.007 0.000 0.646 124 V HN 0.629 nan 8.190 nan 0.000 0.447 125 T N 0.463 115.019 114.554 0.003 0.000 2.684 125 T HA -0.211 4.140 4.350 0.003 0.000 0.267 125 T C 2.067 176.767 174.700 0.001 0.000 1.036 125 T CA 1.749 63.850 62.100 0.002 0.000 1.148 125 T CB -0.542 68.329 68.868 0.005 0.000 0.863 125 T HN 0.583 nan 8.240 nan 0.000 0.436 126 A N 1.566 124.387 122.820 0.002 0.000 1.883 126 A HA 0.102 4.424 4.320 0.003 0.000 0.217 126 A C 2.678 180.262 177.584 0.001 0.000 1.186 126 A CA 1.991 54.029 52.037 0.002 0.000 0.624 126 A CB -1.202 17.800 19.000 0.004 0.000 0.822 126 A HN 0.528 nan 8.150 nan 0.000 0.444 127 A N -0.696 122.124 122.820 -0.000 0.000 1.902 127 A HA -0.004 4.318 4.320 0.003 0.000 0.217 127 A C 2.212 179.792 177.584 -0.007 0.000 1.181 127 A CA 1.737 53.772 52.037 -0.003 0.000 0.623 127 A CB -0.950 18.048 19.000 -0.003 0.000 0.818 127 A HN 0.410 nan 8.150 nan 0.000 0.443 128 V N 0.254 120.161 119.914 -0.011 0.000 2.392 128 V HA -0.218 3.903 4.120 0.003 0.000 0.249 128 V C 2.553 178.641 176.094 -0.011 0.000 1.059 128 V CA 2.171 64.462 62.300 -0.016 0.000 1.051 128 V CB -0.598 31.214 31.823 -0.018 0.000 0.658 128 V HN 0.532 nan 8.190 nan 0.000 0.455 129 E N -0.351 119.845 120.200 -0.005 0.000 2.076 129 E HA -0.132 4.220 4.350 0.003 0.000 0.190 129 E C 2.216 178.815 176.600 -0.001 0.000 0.979 129 E CA 0.714 57.113 56.400 -0.003 0.000 0.807 129 E CB -0.103 29.597 29.700 -0.000 0.000 0.761 129 E HN 0.653 nan 8.360 nan 0.000 0.454 130 E N 0.583 120.782 120.200 -0.000 0.000 2.274 130 E HA -0.048 4.303 4.350 0.003 0.000 0.194 130 E C 2.041 178.641 176.600 0.000 0.000 0.996 130 E CA 0.133 56.534 56.400 0.002 0.000 0.840 130 E CB 0.023 29.725 29.700 0.004 0.000 0.772 130 E HN 0.211 nan 8.360 nan 0.000 0.491 131 L N 0.487 121.707 121.223 -0.004 0.000 2.549 131 L HA -0.163 4.179 4.340 0.003 0.000 0.229 131 L C 1.885 178.751 176.870 -0.007 0.000 1.158 131 L CA 0.833 55.669 54.840 -0.007 0.000 0.842 131 L CB -0.021 42.030 42.059 -0.015 0.000 0.952 131 L HN -0.039 nan 8.230 nan 0.000 0.452 132 K N -0.388 120.009 120.400 -0.005 0.000 2.214 132 K HA 0.158 4.480 4.320 0.003 0.000 0.201 132 K C 2.137 178.737 176.600 0.000 0.000 1.049 132 K CA 0.882 57.167 56.287 -0.003 0.000 0.978 132 K CB -0.257 32.241 32.500 -0.003 0.000 0.842 132 K HN 0.085 nan 8.250 nan 0.000 0.474 133 A N 0.332 123.153 122.820 0.002 0.000 2.019 133 A HA -0.086 4.235 4.320 0.003 0.000 0.219 133 A C 1.345 178.933 177.584 0.006 0.000 1.164 133 A CA 1.397 53.436 52.037 0.004 0.000 0.644 133 A CB -0.305 18.698 19.000 0.005 0.000 0.805 133 A HN 0.153 nan 8.150 nan 0.000 0.449 134 L N -0.383 120.844 121.223 0.006 0.000 2.700 134 L HA 0.243 4.584 4.340 0.003 0.000 0.234 134 L C 1.015 177.889 176.870 0.006 0.000 1.156 134 L CA 0.323 55.169 54.840 0.009 0.000 0.946 134 L CB -0.018 42.048 42.059 0.012 0.000 1.216 134 L HN 0.206 nan 8.230 nan 0.000 0.493 135 S N -0.059 115.643 115.700 0.003 0.000 2.580 135 S HA 0.360 4.831 4.470 0.003 0.000 0.274 135 S C 0.531 175.132 174.600 0.003 0.000 1.329 135 S CA -0.546 57.654 58.200 0.001 0.000 1.036 135 S CB 0.964 64.163 63.200 -0.002 0.000 0.919 135 S HN 0.116 nan 8.310 nan 0.000 0.515 136 V N 3.418 123.333 119.914 0.002 0.000 2.737 136 V HA 0.444 4.566 4.120 0.003 0.000 0.320 136 V C -1.941 174.154 176.094 0.000 0.000 1.174 136 V CA -1.662 60.640 62.300 0.002 0.000 1.355 136 V CB -1.096 30.729 31.823 0.004 0.000 1.558 136 V HN 0.709 nan 8.190 nan 0.000 0.618 137 P HA -0.309 nan 4.420 nan 0.000 0.296 137 P C 0.176 177.475 177.300 -0.003 0.000 1.914 137 P CA 1.298 64.397 63.100 -0.002 0.000 1.724 137 P CB 0.001 31.700 31.700 -0.001 0.000 0.309 138 C N -1.885 117.413 119.300 -0.003 0.000 3.096 138 C HA 0.542 5.003 4.460 0.003 0.000 0.391 138 C C -0.127 174.860 174.990 -0.005 0.000 1.085 138 C CA 0.659 59.674 59.018 -0.005 0.000 1.289 138 C CB -0.544 27.192 27.740 -0.006 0.000 1.685 138 C HN 0.570 nan 8.230 nan 0.000 0.515 139 S N 4.482 120.179 115.700 -0.005 0.000 2.586 139 S HA 0.335 4.807 4.470 0.003 0.000 0.218 139 S C -1.200 173.397 174.600 -0.005 0.000 0.761 139 S CA 0.182 58.379 58.200 -0.004 0.000 0.999 139 S CB -0.353 62.845 63.200 -0.003 0.000 1.634 139 S HN 1.037 nan 8.310 nan 0.000 0.482 140 D N -0.700 119.697 120.400 -0.006 0.000 2.722 140 D HA 0.159 4.801 4.640 0.003 0.000 0.231 140 D C 0.085 176.379 176.300 -0.009 0.000 1.218 140 D CA -0.455 53.541 54.000 -0.007 0.000 0.753 140 D CB 0.829 41.626 40.800 -0.006 0.000 1.471 140 D HN -0.046 nan 8.370 nan 0.000 0.455 141 S N 0.620 116.314 115.700 -0.009 0.000 2.423 141 S HA -0.147 4.325 4.470 0.003 0.000 0.231 141 S C 1.632 176.224 174.600 -0.012 0.000 1.014 141 S CA 1.052 59.246 58.200 -0.011 0.000 0.965 141 S CB -0.047 63.146 63.200 -0.011 0.000 0.785 141 S HN 0.550 nan 8.310 nan 0.000 0.495 142 K N 1.769 122.162 120.400 -0.011 0.000 2.002 142 K HA -0.061 4.261 4.320 0.003 0.000 0.209 142 K C 2.273 178.866 176.600 -0.013 0.000 1.048 142 K CA 1.287 57.566 56.287 -0.012 0.000 0.930 142 K CB -0.386 32.108 32.500 -0.010 0.000 0.714 142 K HN 0.306 nan 8.250 nan 0.000 0.438 143 A N 1.491 124.304 122.820 -0.011 0.000 1.930 143 A HA -0.108 4.214 4.320 0.003 0.000 0.217 143 A C 2.028 179.604 177.584 -0.013 0.000 1.175 143 A CA 1.094 53.124 52.037 -0.011 0.000 0.627 143 A CB -0.436 18.558 19.000 -0.009 0.000 0.815 143 A HN 0.301 nan 8.150 nan 0.000 0.443 144 I N 0.186 120.747 120.570 -0.014 0.000 2.127 144 I HA -0.263 3.909 4.170 0.003 0.000 0.241 144 I C 2.924 179.029 176.117 -0.019 0.000 1.075 144 I CA 1.604 62.893 61.300 -0.017 0.000 1.334 144 I CB -1.661 36.328 38.000 -0.018 0.000 1.040 144 I HN 0.361 nan 8.210 nan 0.000 0.405 145 A N -0.030 122.779 122.820 -0.019 0.000 1.972 145 A HA -0.260 4.061 4.320 0.003 0.000 0.219 145 A C 2.279 179.851 177.584 -0.020 0.000 1.169 145 A CA 1.812 53.837 52.037 -0.020 0.000 0.635 145 A CB -0.592 18.397 19.000 -0.019 0.000 0.810 145 A HN 0.479 nan 8.150 nan 0.000 0.446 146 Q N -0.027 119.762 119.800 -0.019 0.000 2.020 146 Q HA -0.121 4.220 4.340 0.003 0.000 0.202 146 Q C 1.840 177.829 176.000 -0.019 0.000 0.982 146 Q CA 2.509 58.300 55.803 -0.019 0.000 0.838 146 Q CB -0.491 28.237 28.738 -0.017 0.000 0.899 146 Q HN 0.331 nan 8.270 nan 0.000 0.423 147 V N 0.071 119.974 119.914 -0.017 0.000 2.453 147 V HA -0.094 4.028 4.120 0.003 0.000 0.247 147 V C 2.176 178.259 176.094 -0.019 0.000 1.048 147 V CA 1.651 63.942 62.300 -0.016 0.000 1.049 147 V CB -1.130 30.685 31.823 -0.014 0.000 0.672 147 V HN 0.595 nan 8.190 nan 0.000 0.457 148 G N 0.267 109.054 108.800 -0.022 0.000 2.509 148 G HA2 -0.182 3.780 3.960 0.003 0.000 0.218 148 G HA3 -0.182 3.780 3.960 0.003 0.000 0.218 148 G C 1.603 176.490 174.900 -0.023 0.000 1.124 148 G CA 1.514 46.599 45.100 -0.026 0.000 0.776 148 G HN 0.601 nan 8.290 nan 0.000 0.547 149 T N -1.895 112.646 114.554 -0.021 0.000 3.034 149 T HA 0.239 4.590 4.350 0.003 0.000 0.248 149 T C 2.319 177.007 174.700 -0.019 0.000 1.040 149 T CA -0.028 62.059 62.100 -0.021 0.000 1.107 149 T CB -0.035 68.819 68.868 -0.023 0.000 0.932 149 T HN 0.171 nan 8.240 nan 0.000 0.474 150 I N 1.823 122.382 120.570 -0.018 0.000 2.233 150 I HA -0.068 4.104 4.170 0.003 0.000 0.243 150 I C 2.829 178.940 176.117 -0.010 0.000 1.093 150 I CA 1.170 62.460 61.300 -0.016 0.000 1.380 150 I CB -0.276 37.715 38.000 -0.016 0.000 1.067 150 I HN 0.289 nan 8.210 nan 0.000 0.413 151 S N 0.422 116.116 115.700 -0.009 0.000 2.547 151 S HA 0.032 4.503 4.470 0.003 0.000 0.235 151 S C 1.647 176.245 174.600 -0.004 0.000 0.980 151 S CA 0.969 59.167 58.200 -0.003 0.000 0.941 151 S CB -0.100 63.099 63.200 -0.001 0.000 0.763 151 S HN 0.438 nan 8.310 nan 0.000 0.532 152 A N 1.040 123.855 122.820 -0.009 0.000 2.387 152 A HA 0.369 4.691 4.320 0.003 0.000 0.234 152 A C 0.839 178.417 177.584 -0.010 0.000 1.253 152 A CA -0.100 51.931 52.037 -0.010 0.000 0.894 152 A CB -0.426 18.565 19.000 -0.015 0.000 0.963 152 A HN 0.603 nan 8.150 nan 0.000 0.508 153 N N -0.324 118.370 118.700 -0.010 0.000 2.721 153 N HA -0.231 4.511 4.740 0.003 0.000 0.249 153 N C 0.074 175.575 175.510 -0.015 0.000 1.072 153 N CA 1.052 54.095 53.050 -0.011 0.000 0.710 153 N CB -0.787 37.696 38.487 -0.006 0.000 0.993 153 N HN 0.458 nan 8.380 nan 0.000 0.547 154 S N -1.667 114.022 115.700 -0.019 0.000 2.163 154 S HA -0.140 4.331 4.470 0.003 0.000 0.255 154 S C -0.419 174.169 174.600 -0.020 0.000 1.361 154 S CA 0.431 58.618 58.200 -0.022 0.000 1.162 154 S CB -0.745 62.440 63.200 -0.025 0.000 1.460 154 S HN 0.591 nan 8.310 nan 0.000 0.653 155 D N 2.337 122.727 120.400 -0.018 0.000 2.385 155 D HA 0.153 4.795 4.640 0.003 0.000 0.260 155 D C 1.119 177.408 176.300 -0.019 0.000 1.326 155 D CA 0.283 54.273 54.000 -0.017 0.000 1.023 155 D CB 0.304 41.095 40.800 -0.015 0.000 1.083 155 D HN 0.523 nan 8.370 nan 0.000 0.517 156 E N 1.041 121.229 120.200 -0.020 0.000 2.219 156 E HA -0.207 4.145 4.350 0.003 0.000 0.198 156 E C 1.817 178.406 176.600 -0.019 0.000 0.998 156 E CA 1.560 57.948 56.400 -0.020 0.000 0.818 156 E CB 0.158 29.846 29.700 -0.020 0.000 0.741 156 E HN 0.616 nan 8.360 nan 0.000 0.477 157 T N -1.751 112.792 114.554 -0.018 0.000 2.894 157 T HA -0.035 4.317 4.350 0.003 0.000 0.258 157 T C 2.127 176.816 174.700 -0.019 0.000 1.043 157 T CA 0.632 62.722 62.100 -0.017 0.000 1.141 157 T CB -0.456 68.403 68.868 -0.015 0.000 0.873 157 T HN -0.033 nan 8.240 nan 0.000 0.449 158 V N 2.192 122.095 119.914 -0.019 0.000 2.332 158 V HA -0.050 4.072 4.120 0.003 0.000 0.248 158 V C 3.079 179.157 176.094 -0.026 0.000 1.055 158 V CA 2.025 64.311 62.300 -0.023 0.000 1.038 158 V CB -1.524 30.286 31.823 -0.021 0.000 0.651 158 V HN 0.702 nan 8.190 nan 0.000 0.450 159 G N -0.576 108.210 108.800 -0.024 0.000 2.433 159 G HA2 -0.310 3.652 3.960 0.003 0.000 0.216 159 G HA3 -0.310 3.652 3.960 0.003 0.000 0.216 159 G C 1.630 176.516 174.900 -0.023 0.000 1.186 159 G CA 1.070 46.155 45.100 -0.024 0.000 0.779 159 G HN 0.489 nan 8.290 nan 0.000 0.543 160 K N -0.466 119.922 120.400 -0.021 0.000 2.044 160 K HA -0.097 4.225 4.320 0.003 0.000 0.210 160 K C 2.468 179.056 176.600 -0.021 0.000 1.049 160 K CA 1.184 57.459 56.287 -0.020 0.000 0.927 160 K CB -0.230 32.259 32.500 -0.018 0.000 0.713 160 K HN 0.206 nan 8.250 nan 0.000 0.443 161 L N 1.175 122.385 121.223 -0.022 0.000 2.027 161 L HA -0.099 4.242 4.340 0.003 0.000 0.206 161 L C 2.216 179.069 176.870 -0.029 0.000 1.074 161 L CA 1.441 56.267 54.840 -0.024 0.000 0.745 161 L CB -0.496 41.549 42.059 -0.023 0.000 0.898 161 L HN 0.238 nan 8.230 nan 0.000 0.433 162 I N -0.841 119.709 120.570 -0.034 0.000 2.179 162 I HA -0.324 3.848 4.170 0.003 0.000 0.242 162 I C 2.578 178.675 176.117 -0.033 0.000 1.088 162 I CA 1.229 62.505 61.300 -0.041 0.000 1.357 162 I CB -0.510 37.461 38.000 -0.049 0.000 1.051 162 I HN 0.230 nan 8.210 nan 0.000 0.409 163 A N 0.371 123.174 122.820 -0.028 0.000 1.877 163 A HA -0.234 4.088 4.320 0.003 0.000 0.216 163 A C 2.240 179.812 177.584 -0.020 0.000 1.186 163 A CA 1.725 53.748 52.037 -0.023 0.000 0.620 163 A CB -0.628 18.359 19.000 -0.020 0.000 0.822 163 A HN 0.427 nan 8.150 nan 0.000 0.443 164 E N -0.417 119.771 120.200 -0.019 0.000 2.153 164 E HA -0.110 4.241 4.350 0.003 0.000 0.194 164 E C 2.319 178.909 176.600 -0.018 0.000 0.988 164 E CA 0.801 57.191 56.400 -0.017 0.000 0.811 164 E CB -0.256 29.435 29.700 -0.016 0.000 0.746 164 E HN 0.625 nan 8.360 nan 0.000 0.466 165 A N 1.242 124.050 122.820 -0.021 0.000 1.858 165 A HA -0.195 4.126 4.320 0.003 0.000 0.216 165 A C 2.171 179.743 177.584 -0.020 0.000 1.190 165 A CA 1.426 53.450 52.037 -0.021 0.000 0.617 165 A CB -0.453 18.530 19.000 -0.028 0.000 0.827 165 A HN 0.131 nan 8.150 nan 0.000 0.443 166 M N -0.850 118.737 119.600 -0.022 0.000 2.175 166 M HA -0.128 4.353 4.480 0.003 0.000 0.264 166 M C 1.882 178.173 176.300 -0.014 0.000 1.063 166 M CA 1.690 56.978 55.300 -0.019 0.000 1.119 166 M CB -0.450 32.137 32.600 -0.021 0.000 1.377 166 M HN 0.498 nan 8.290 nan 0.000 0.415 167 D N 0.585 120.977 120.400 -0.014 0.000 2.183 167 D HA -0.110 4.532 4.640 0.003 0.000 0.203 167 D C 1.739 178.033 176.300 -0.010 0.000 0.969 167 D CA 1.057 55.050 54.000 -0.012 0.000 0.842 167 D CB 0.229 41.022 40.800 -0.012 0.000 0.957 167 D HN 0.338 nan 8.370 nan 0.000 0.484 168 K N 0.088 120.481 120.400 -0.011 0.000 2.007 168 K HA -0.053 4.268 4.320 0.003 0.000 0.206 168 K C 2.057 178.652 176.600 -0.008 0.000 1.047 168 K CA 0.563 56.844 56.287 -0.009 0.000 0.937 168 K CB 0.031 32.525 32.500 -0.010 0.000 0.718 168 K HN -0.031 nan 8.250 nan 0.000 0.438 169 V N 0.115 120.024 119.914 -0.009 0.000 2.878 169 V HA 0.098 4.219 4.120 0.003 0.000 0.250 169 V C 0.468 176.559 176.094 -0.006 0.000 1.075 169 V CA 1.238 63.534 62.300 -0.007 0.000 1.096 169 V CB -0.013 31.805 31.823 -0.008 0.000 0.724 169 V HN 0.636 nan 8.190 nan 0.000 0.467 170 G N -0.268 108.528 108.800 -0.007 0.000 2.662 170 G HA2 -0.177 3.785 3.960 0.003 0.000 0.686 170 G HA3 -0.177 3.785 3.960 0.003 0.000 0.686 170 G C 0.058 174.955 174.900 -0.006 0.000 1.271 170 G CA 0.040 45.136 45.100 -0.006 0.000 0.816 170 G HN 0.250 nan 8.290 nan 0.000 0.608 171 K N -0.073 120.324 120.400 -0.005 0.000 2.209 171 K HA -0.048 4.273 4.320 0.003 0.000 0.204 171 K C 1.922 178.520 176.600 -0.003 0.000 1.048 171 K CA 1.781 58.065 56.287 -0.005 0.000 0.940 171 K CB 0.070 32.568 32.500 -0.004 0.000 0.729 171 K HN 0.413 nan 8.250 nan 0.000 0.451 172 E N -0.109 120.091 120.200 -0.001 0.000 2.472 172 E HA 0.073 4.425 4.350 0.003 0.000 0.196 172 E C 0.339 176.941 176.600 0.003 0.000 1.033 172 E CA -0.084 56.317 56.400 0.001 0.000 0.886 172 E CB 0.663 30.364 29.700 0.001 0.000 0.944 172 E HN 0.280 nan 8.360 nan 0.000 0.492 173 G N -0.018 108.783 108.800 0.000 0.000 2.507 173 G HA2 0.350 4.312 3.960 0.003 0.000 0.271 173 G HA3 0.350 4.312 3.960 0.003 0.000 0.271 173 G C -0.118 174.782 174.900 -0.001 0.000 1.189 173 G CA -0.551 44.549 45.100 0.001 0.000 0.859 173 G HN -0.003 nan 8.290 nan 0.000 0.542 174 V N 0.822 120.736 119.914 0.001 0.000 2.834 174 V HA 0.409 4.530 4.120 0.003 0.000 0.301 174 V C 0.027 176.116 176.094 -0.009 0.000 1.066 174 V CA -0.084 62.215 62.300 -0.001 0.000 1.052 174 V CB 1.235 33.060 31.823 0.003 0.000 1.021 174 V HN 0.514 nan 8.190 nan 0.000 0.480 175 I N 2.671 123.232 120.570 -0.015 0.000 2.619 175 I HA 0.622 4.793 4.170 0.003 0.000 0.292 175 I C 0.127 176.230 176.117 -0.024 0.000 1.100 175 I CA 0.053 61.338 61.300 -0.025 0.000 1.043 175 I CB 2.256 40.231 38.000 -0.042 0.000 1.239 175 I HN 0.864 nan 8.210 nan 0.000 0.420 176 T N 2.551 117.093 114.554 -0.020 0.000 2.693 176 T HA 0.934 5.286 4.350 0.003 0.000 0.278 176 T C -1.046 173.644 174.700 -0.018 0.000 0.994 176 T CA -0.684 61.408 62.100 -0.013 0.000 1.033 176 T CB 1.689 70.558 68.868 0.002 0.000 1.342 176 T HN 0.298 nan 8.240 nan 0.000 0.538 177 V N 0.353 120.262 119.914 -0.008 0.000 2.888 177 V HA 0.698 4.820 4.120 0.003 0.000 0.309 177 V C -0.988 175.105 176.094 -0.001 0.000 1.114 177 V CA -0.909 61.386 62.300 -0.009 0.000 0.940 177 V CB 1.784 33.601 31.823 -0.010 0.000 1.021 177 V HN 1.061 nan 8.190 nan 0.000 0.426 178 E N 0.992 121.190 120.200 -0.003 0.000 2.343 178 E HA 0.542 4.893 4.350 0.003 0.000 0.270 178 E C -1.644 174.955 176.600 -0.001 0.000 0.895 178 E CA -0.879 55.520 56.400 -0.001 0.000 0.767 178 E CB 2.410 32.107 29.700 -0.004 0.000 1.248 178 E HN 0.790 nan 8.360 nan 0.000 0.440 179 D N 0.081 120.481 120.400 0.000 0.000 2.329 179 D HA 0.416 5.058 4.640 0.003 0.000 0.246 179 D C -0.214 176.085 176.300 -0.002 0.000 1.111 179 D CA -0.104 53.896 54.000 0.000 0.000 0.941 179 D CB 0.987 41.788 40.800 0.003 0.000 1.169 179 D HN 0.394 nan 8.370 nan 0.000 0.441 180 G N -1.088 107.710 108.800 -0.002 0.000 2.368 180 G HA2 0.391 4.352 3.960 0.003 0.000 0.320 180 G HA3 0.391 4.352 3.960 0.003 0.000 0.320 180 G C 0.726 175.625 174.900 -0.003 0.000 1.158 180 G CA -0.689 44.409 45.100 -0.003 0.000 0.912 180 G HN 0.495 nan 8.290 nan 0.000 0.456 181 T N -0.655 113.897 114.554 -0.004 0.000 3.129 181 T HA 0.494 4.845 4.350 0.003 0.000 0.251 181 T C 1.103 175.801 174.700 -0.004 0.000 1.117 181 T CA 0.514 62.612 62.100 -0.003 0.000 1.034 181 T CB 0.161 69.027 68.868 -0.004 0.000 0.968 181 T HN 1.271 nan 8.240 nan 0.000 0.526 182 G N 0.508 109.306 108.800 -0.004 0.000 2.335 182 G HA2 0.369 4.330 3.960 0.003 0.000 0.291 182 G HA3 0.369 4.330 3.960 0.003 0.000 0.291 182 G C -0.373 174.524 174.900 -0.005 0.000 1.261 182 G CA -0.300 44.797 45.100 -0.005 0.000 0.871 182 G HN 0.113 nan 8.290 nan 0.000 0.491 183 L N 0.039 121.258 121.223 -0.006 0.000 2.291 183 L HA 0.321 4.662 4.340 0.003 0.000 0.214 183 L C 0.876 177.742 176.870 -0.007 0.000 1.120 183 L CA 1.362 56.198 54.840 -0.006 0.000 0.799 183 L CB -0.397 41.658 42.059 -0.006 0.000 0.925 183 L HN 0.432 nan 8.230 nan 0.000 0.446 184 Q N 0.749 120.545 119.800 -0.007 0.000 2.222 184 Q HA 0.260 4.602 4.340 0.003 0.000 0.252 184 Q C -0.768 175.227 176.000 -0.008 0.000 0.926 184 Q CA -0.408 55.390 55.803 -0.007 0.000 0.899 184 Q CB 1.077 29.811 28.738 -0.007 0.000 1.250 184 Q HN 0.213 nan 8.270 nan 0.000 0.441 185 D N 1.177 121.572 120.400 -0.009 0.000 2.312 185 D HA 0.301 4.943 4.640 0.003 0.000 0.248 185 D C -0.342 175.953 176.300 -0.009 0.000 1.086 185 D CA -0.053 53.941 54.000 -0.009 0.000 0.948 185 D CB 1.538 42.332 40.800 -0.011 0.000 1.162 185 D HN 0.400 nan 8.370 nan 0.000 0.446 186 E N 0.433 120.627 120.200 -0.010 0.000 2.408 186 E HA 0.546 4.898 4.350 0.003 0.000 0.275 186 E C -1.612 174.982 176.600 -0.011 0.000 0.935 186 E CA -0.703 55.691 56.400 -0.010 0.000 0.775 186 E CB 2.245 31.940 29.700 -0.009 0.000 1.277 186 E HN 0.202 nan 8.360 nan 0.000 0.455 187 L N 3.345 124.562 121.223 -0.011 0.000 2.568 187 L HA 0.365 4.707 4.340 0.003 0.000 0.262 187 L C -1.484 175.380 176.870 -0.011 0.000 0.980 187 L CA -0.543 54.290 54.840 -0.012 0.000 0.882 187 L CB 1.134 43.185 42.059 -0.013 0.000 1.198 187 L HN 0.527 nan 8.230 nan 0.000 0.425 188 D N 2.912 123.305 120.400 -0.010 0.000 2.294 188 D HA 0.539 5.181 4.640 0.003 0.000 0.250 188 D C -0.403 175.892 176.300 -0.009 0.000 1.058 188 D CA -0.095 53.900 54.000 -0.009 0.000 0.950 188 D CB 2.726 43.521 40.800 -0.009 0.000 1.158 188 D HN 0.265 nan 8.370 nan 0.000 0.453 189 V N -1.455 118.454 119.914 -0.008 0.000 2.680 189 V HA 0.865 4.987 4.120 0.003 0.000 0.309 189 V C -0.248 175.843 176.094 -0.006 0.000 1.052 189 V CA -0.670 61.626 62.300 -0.007 0.000 0.908 189 V CB 1.714 33.533 31.823 -0.006 0.000 1.001 189 V HN 0.379 nan 8.190 nan 0.000 0.431 190 V N 1.275 121.187 119.914 -0.004 0.000 3.301 190 V HA 0.478 4.600 4.120 0.003 0.000 0.291 190 V C -0.928 175.166 176.094 0.000 0.000 1.549 190 V CA -0.551 61.748 62.300 -0.003 0.000 1.061 190 V CB 2.421 34.241 31.823 -0.005 0.000 1.154 190 V HN 1.134 nan 8.190 nan 0.000 0.466 191 E N 1.168 121.369 120.200 0.001 0.000 2.410 191 E HA 0.614 4.966 4.350 0.003 0.000 0.255 191 E C 0.254 176.861 176.600 0.011 0.000 1.194 191 E CA 0.600 57.004 56.400 0.006 0.000 0.955 191 E CB 0.833 30.536 29.700 0.006 0.000 0.988 191 E HN 1.392 nan 8.360 nan 0.000 0.461 192 G N -0.771 108.041 108.800 0.020 0.000 2.333 192 G HA2 0.368 4.329 3.960 0.003 0.000 0.288 192 G HA3 0.368 4.329 3.960 0.003 0.000 0.288 192 G C -1.520 173.410 174.900 0.050 0.000 1.286 192 G CA -0.410 44.709 45.100 0.031 0.000 0.865 192 G HN 0.445 nan 8.290 nan 0.000 0.506 193 M N 0.666 120.311 119.600 0.074 0.000 2.319 193 M HA 0.473 4.955 4.480 0.003 0.000 0.265 193 M C -1.666 174.725 176.300 0.151 0.000 1.038 193 M CA -0.513 54.858 55.300 0.119 0.000 0.946 193 M CB 2.016 34.705 32.600 0.149 0.000 1.984 193 M HN 0.763 nan 8.290 nan 0.000 0.482 194 Q N 4.750 124.622 119.800 0.119 0.000 2.282 194 Q HA 0.779 5.121 4.340 0.003 0.000 0.260 194 Q C -1.978 174.122 176.000 0.166 0.000 0.964 194 Q CA -0.569 55.255 55.803 0.036 0.000 0.880 194 Q CB 1.578 30.317 28.738 0.001 0.000 1.286 194 Q HN 0.627 nan 8.270 nan 0.000 0.445 195 F N -0.332 119.628 119.950 0.015 0.000 2.641 195 F HA 0.387 4.915 4.527 0.003 0.000 0.308 195 F C -1.138 174.669 175.800 0.012 0.000 1.105 195 F CA -1.276 56.734 58.000 0.016 0.000 0.964 195 F CB 1.007 40.020 39.000 0.022 0.000 1.294 195 F HN 0.380 nan 8.300 nan 0.000 0.442 196 D N 1.898 122.417 120.400 0.198 0.000 2.885 196 D HA 0.292 4.934 4.640 0.003 0.000 0.234 196 D C -0.712 175.658 176.300 0.116 0.000 1.129 196 D CA 0.253 54.306 54.000 0.089 0.000 0.991 196 D CB -0.112 40.734 40.800 0.076 0.000 1.137 196 D HN 0.331 nan 8.370 nan 0.000 0.459 197 R N 0.223 120.787 120.500 0.107 0.000 2.532 197 R HA 0.616 4.958 4.340 0.003 0.000 0.297 197 R C 0.467 176.739 176.300 -0.047 0.000 0.984 197 R CA -0.651 55.507 56.100 0.096 0.000 0.884 197 R CB 1.947 32.420 30.300 0.288 0.000 1.182 197 R HN 0.197 nan 8.270 nan 0.000 0.442 198 G N 1.090 109.831 108.800 -0.097 0.000 2.532 198 G HA2 0.286 4.248 3.960 0.003 0.000 0.291 198 G HA3 0.286 4.248 3.960 0.003 0.000 0.291 198 G C -0.756 174.089 174.900 -0.091 0.000 1.349 198 G CA -0.521 44.443 45.100 -0.227 0.000 1.038 198 G HN 0.534 nan 8.290 nan 0.000 0.518 199 Y N -1.210 119.140 120.300 0.083 0.000 2.550 199 Y HA 0.285 4.837 4.550 0.003 0.000 0.343 199 Y C 1.372 177.361 175.900 0.148 0.000 1.245 199 Y CA -0.966 57.238 58.100 0.172 0.000 1.462 199 Y CB 0.251 38.847 38.460 0.225 0.000 1.340 199 Y HN 0.193 nan 8.280 nan 0.000 0.604 200 L N 0.998 122.491 121.223 0.450 0.000 2.291 200 L HA 0.009 4.351 4.340 0.003 0.000 0.214 200 L C 0.887 177.856 176.870 0.166 0.000 1.120 200 L CA 1.336 56.344 54.840 0.281 0.000 0.799 200 L CB -0.182 42.044 42.059 0.278 0.000 0.925 200 L HN 0.758 nan 8.230 nan 0.000 0.446 201 S N -2.127 113.591 115.700 0.029 0.000 2.543 201 S HA 0.367 4.838 4.470 0.003 0.000 0.271 201 S C -2.231 172.012 174.600 -0.595 0.000 1.148 201 S CA -1.042 57.010 58.200 -0.247 0.000 0.914 201 S CB 1.794 64.689 63.200 -0.507 0.000 1.096 201 S HN -0.266 nan 8.310 nan 0.000 0.471 202 P HA -0.017 nan 4.420 nan 0.000 0.223 202 P C 0.384 177.288 177.300 -0.660 0.000 1.144 202 P CA 0.965 63.543 63.100 -0.871 0.000 0.783 202 P CB -0.111 31.289 31.700 -0.499 0.000 0.771 203 Y N -2.503 117.503 120.300 -0.490 0.000 2.632 203 Y HA -0.042 4.510 4.550 0.003 0.000 0.301 203 Y C 1.540 177.320 175.900 -0.199 0.000 1.172 203 Y CA 0.577 58.481 58.100 -0.325 0.000 1.328 203 Y CB -0.920 37.364 38.460 -0.293 0.000 1.016 203 Y HN -0.068 nan 8.280 nan 0.000 0.529 204 F N -0.503 119.390 119.950 -0.095 0.000 2.710 204 F HA 0.076 4.605 4.527 0.003 0.000 0.298 204 F C 0.960 176.695 175.800 -0.107 0.000 1.137 204 F CA -0.703 57.252 58.000 -0.074 0.000 1.444 204 F CB -0.867 38.103 39.000 -0.049 0.000 1.111 204 F HN -0.151 nan 8.300 nan 0.000 0.580 205 I N 2.721 123.260 120.570 -0.052 0.000 2.662 205 I HA -0.120 4.052 4.170 0.003 0.000 0.285 205 I C 1.104 177.210 176.117 -0.019 0.000 1.161 205 I CA 0.136 61.397 61.300 -0.065 0.000 1.415 205 I CB 0.398 38.296 38.000 -0.170 0.000 1.385 205 I HN 0.133 nan 8.210 nan 0.000 0.552 206 N N 5.575 124.282 118.700 0.013 0.000 2.250 206 N HA -0.005 4.737 4.740 0.003 0.000 0.190 206 N C 0.063 175.580 175.510 0.010 0.000 1.116 206 N CA 0.198 53.256 53.050 0.014 0.000 0.881 206 N CB 0.390 38.893 38.487 0.026 0.000 1.006 206 N HN 0.284 nan 8.380 nan 0.000 0.491 207 K N 1.946 122.354 120.400 0.013 0.000 2.432 207 K HA 0.295 4.616 4.320 0.003 0.000 0.226 207 K C -1.899 174.704 176.600 0.006 0.000 1.057 207 K CA -1.691 54.606 56.287 0.016 0.000 1.034 207 K CB 2.113 34.632 32.500 0.031 0.000 1.561 207 K HN 0.114 nan 8.250 nan 0.000 0.492 208 P HA -0.068 nan 4.420 nan 0.000 0.220 208 P C 0.251 177.546 177.300 -0.007 0.000 1.152 208 P CA 0.774 63.858 63.100 -0.025 0.000 0.812 208 P CB 0.472 32.148 31.700 -0.040 0.000 0.792 209 E N -0.193 120.010 120.200 0.004 0.000 2.405 209 E HA 0.040 4.392 4.350 0.003 0.000 0.194 209 E C 0.598 177.211 176.600 0.022 0.000 1.149 209 E CA 0.577 56.984 56.400 0.012 0.000 0.933 209 E CB -0.422 29.286 29.700 0.013 0.000 1.028 209 E HN 0.307 nan 8.360 nan 0.000 0.487 210 T N -1.798 112.771 114.554 0.024 0.000 3.606 210 T HA 0.318 4.670 4.350 0.003 0.000 0.215 210 T C 0.786 175.501 174.700 0.026 0.000 0.899 210 T CA 0.207 62.330 62.100 0.039 0.000 1.057 210 T CB 0.848 69.751 68.868 0.058 0.000 1.109 210 T HN 0.177 nan 8.240 nan 0.000 0.341 211 G N 1.487 110.305 108.800 0.030 0.000 2.245 211 G HA2 0.430 4.392 3.960 0.003 0.000 0.116 211 G HA3 0.430 4.392 3.960 0.003 0.000 0.116 211 G C -0.279 174.692 174.900 0.119 0.000 1.054 211 G CA 0.031 45.161 45.100 0.051 0.000 0.728 211 G HN 0.942 nan 8.290 nan 0.000 0.483 212 A N -0.789 122.088 122.820 0.096 0.000 2.515 212 A HA 0.950 5.272 4.320 0.003 0.000 0.296 212 A C -0.502 177.145 177.584 0.104 0.000 1.094 212 A CA -0.599 51.516 52.037 0.129 0.000 0.718 212 A CB 2.122 21.174 19.000 0.087 0.000 1.307 212 A HN 1.279 nan 8.150 nan 0.000 0.408 213 V N 1.254 121.250 119.914 0.135 0.000 2.435 213 V HA 0.469 4.590 4.120 0.003 0.000 0.290 213 V C -0.235 175.900 176.094 0.068 0.000 1.030 213 V CA -0.388 61.973 62.300 0.103 0.000 0.881 213 V CB 1.256 33.167 31.823 0.146 0.000 0.983 213 V HN 0.898 nan 8.190 nan 0.000 0.445 214 E N 4.849 125.076 120.200 0.044 0.000 2.210 214 E HA 0.718 5.070 4.350 0.003 0.000 0.266 214 E C -1.449 175.161 176.600 0.016 0.000 0.883 214 E CA -0.676 55.740 56.400 0.028 0.000 0.761 214 E CB 2.756 32.470 29.700 0.024 0.000 1.156 214 E HN 0.480 nan 8.360 nan 0.000 0.412 215 L N 2.653 123.880 121.223 0.007 0.000 2.438 215 L HA 0.362 4.704 4.340 0.003 0.000 0.270 215 L C -0.682 176.185 176.870 -0.005 0.000 0.972 215 L CA -0.909 53.930 54.840 -0.001 0.000 0.831 215 L CB 1.915 43.968 42.059 -0.010 0.000 1.273 215 L HN 0.378 nan 8.230 nan 0.000 0.405 216 E N 1.448 121.643 120.200 -0.007 0.000 2.179 216 E HA 0.309 4.660 4.350 0.003 0.000 0.275 216 E C 0.554 177.138 176.600 -0.026 0.000 0.945 216 E CA -0.065 56.327 56.400 -0.014 0.000 0.792 216 E CB 1.753 31.447 29.700 -0.010 0.000 1.125 216 E HN 0.676 nan 8.360 nan 0.000 0.397 217 S N 0.107 115.781 115.700 -0.043 0.000 3.445 217 S HA -0.134 4.338 4.470 0.003 0.000 0.319 217 S C -1.886 172.645 174.600 -0.115 0.000 1.209 217 S CA 0.438 58.590 58.200 -0.080 0.000 0.934 217 S CB -2.058 61.096 63.200 -0.076 0.000 0.999 217 S HN 0.478 nan 8.310 nan 0.000 0.582 218 P HA 0.365 nan 4.420 nan 0.000 0.269 218 P C 0.199 177.450 177.300 -0.083 0.000 1.215 218 P CA -0.210 62.871 63.100 -0.033 0.000 0.780 218 P CB 0.241 31.946 31.700 0.008 0.000 0.898 219 F N 1.349 121.297 119.950 -0.003 0.000 2.389 219 F HA 0.345 4.874 4.527 0.003 0.000 0.337 219 F C 1.044 176.843 175.800 -0.000 0.000 1.112 219 F CA -0.191 57.808 58.000 -0.001 0.000 1.192 219 F CB 0.618 39.616 39.000 -0.003 0.000 1.185 219 F HN 0.070 nan 8.300 nan 0.000 0.552 220 I N 4.563 125.277 120.570 0.240 0.000 2.447 220 I HA 0.190 4.362 4.170 0.003 0.000 0.287 220 I C -1.202 174.980 176.117 0.108 0.000 1.023 220 I CA -0.747 60.633 61.300 0.133 0.000 1.083 220 I CB 1.738 39.800 38.000 0.103 0.000 1.245 220 I HN 0.271 nan 8.210 nan 0.000 0.434 221 L N 7.863 129.127 121.223 0.068 0.000 2.265 221 L HA 0.459 4.801 4.340 0.003 0.000 0.288 221 L C -0.801 176.091 176.870 0.036 0.000 1.058 221 L CA -0.208 54.655 54.840 0.038 0.000 0.809 221 L CB 0.950 43.020 42.059 0.017 0.000 1.179 221 L HN 0.595 nan 8.230 nan 0.000 0.429 222 L N 6.383 127.622 121.223 0.027 0.000 2.360 222 L HA 0.415 4.757 4.340 0.003 0.000 0.265 222 L C 0.408 177.282 176.870 0.008 0.000 1.066 222 L CA -0.350 54.499 54.840 0.016 0.000 0.929 222 L CB 1.079 43.146 42.059 0.013 0.000 1.306 222 L HN 0.700 nan 8.230 nan 0.000 0.434 223 A N 0.842 123.668 122.820 0.010 0.000 2.309 223 A HA 0.184 4.506 4.320 0.003 0.000 0.290 223 A C 0.528 178.114 177.584 0.003 0.000 1.206 223 A CA -0.432 51.610 52.037 0.008 0.000 0.850 223 A CB 0.431 19.440 19.000 0.014 0.000 1.118 223 A HN 0.655 nan 8.150 nan 0.000 0.523 224 D N 1.513 121.912 120.400 -0.001 0.000 2.346 224 D HA 0.069 4.711 4.640 0.003 0.000 0.248 224 D C 0.535 176.835 176.300 0.000 0.000 1.173 224 D CA 0.667 54.664 54.000 -0.005 0.000 0.878 224 D CB -0.250 40.545 40.800 -0.008 0.000 0.919 224 D HN 0.698 nan 8.370 nan 0.000 0.513 225 K N -1.784 118.620 120.400 0.007 0.000 2.507 225 K HA 0.459 4.781 4.320 0.003 0.000 0.284 225 K C -1.139 175.474 176.600 0.022 0.000 1.038 225 K CA -1.135 55.159 56.287 0.013 0.000 0.903 225 K CB 0.826 33.332 32.500 0.010 0.000 1.531 225 K HN -0.362 nan 8.250 nan 0.000 0.430 226 K N 1.335 121.749 120.400 0.025 0.000 2.297 226 K HA 0.301 4.623 4.320 0.003 0.000 0.286 226 K C -0.396 176.221 176.600 0.027 0.000 1.053 226 K CA -0.407 55.898 56.287 0.030 0.000 0.940 226 K CB 0.514 33.032 32.500 0.031 0.000 1.019 226 K HN 0.399 nan 8.250 nan 0.000 0.475 227 I N 3.665 124.255 120.570 0.032 0.000 2.363 227 I HA -0.040 4.132 4.170 0.003 0.000 0.292 227 I C 1.280 177.414 176.117 0.028 0.000 1.075 227 I CA 0.380 61.697 61.300 0.029 0.000 1.333 227 I CB 0.376 38.397 38.000 0.035 0.000 1.415 227 I HN 0.752 nan 8.210 nan 0.000 0.502 228 S N 5.088 120.801 115.700 0.022 0.000 2.414 228 S HA 0.028 4.500 4.470 0.003 0.000 0.227 228 S C 0.881 175.492 174.600 0.018 0.000 1.022 228 S CA 0.298 58.509 58.200 0.019 0.000 0.958 228 S CB 0.237 63.446 63.200 0.014 0.000 0.797 228 S HN 0.775 nan 8.310 nan 0.000 0.493 229 N N -0.486 118.225 118.700 0.018 0.000 3.227 229 N HA 0.205 4.946 4.740 0.003 0.000 0.241 229 N C -0.270 175.251 175.510 0.018 0.000 1.480 229 N CA -0.097 52.963 53.050 0.018 0.000 0.886 229 N CB 1.127 39.621 38.487 0.012 0.000 1.406 229 N HN 0.106 nan 8.380 nan 0.000 0.514 230 I N -0.058 120.523 120.570 0.018 0.000 3.176 230 I HA 0.108 4.280 4.170 0.003 0.000 0.275 230 I C 2.267 178.390 176.117 0.009 0.000 1.298 230 I CA 0.742 62.052 61.300 0.017 0.000 1.445 230 I CB -0.667 37.345 38.000 0.020 0.000 1.075 230 I HN 0.480 nan 8.210 nan 0.000 0.482 231 R N 1.942 122.446 120.500 0.007 0.000 2.115 231 R HA -0.277 4.064 4.340 0.003 0.000 0.239 231 R C 2.003 178.303 176.300 -0.001 0.000 1.133 231 R CA 2.460 58.561 56.100 0.002 0.000 0.935 231 R CB -0.443 29.859 30.300 0.002 0.000 0.853 231 R HN 0.414 nan 8.270 nan 0.000 0.433 232 E N -0.017 120.184 120.200 0.001 0.000 2.233 232 E HA -0.216 4.135 4.350 0.003 0.000 0.199 232 E C 1.827 178.423 176.600 -0.006 0.000 1.004 232 E CA 1.932 58.331 56.400 -0.002 0.000 0.819 232 E CB -0.152 29.550 29.700 0.002 0.000 0.738 232 E HN 0.285 nan 8.360 nan 0.000 0.478 233 M N -0.781 118.816 119.600 -0.004 0.000 2.476 233 M HA 0.079 4.561 4.480 0.003 0.000 0.262 233 M C 1.416 177.705 176.300 -0.019 0.000 1.111 233 M CA 0.502 55.795 55.300 -0.011 0.000 1.127 233 M CB 0.241 32.840 32.600 -0.003 0.000 1.376 233 M HN 0.076 nan 8.290 nan 0.000 0.465 234 L N 0.519 121.733 121.223 -0.015 0.000 1.971 234 L HA -0.222 4.120 4.340 0.003 0.000 0.215 234 L C -0.496 176.358 176.870 -0.026 0.000 1.072 234 L CA 1.716 56.546 54.840 -0.016 0.000 0.758 234 L CB -2.256 39.797 42.059 -0.011 0.000 0.889 234 L HN 0.238 nan 8.230 nan 0.000 0.433 235 P HA -0.104 nan 4.420 nan 0.000 0.215 235 P C 1.806 179.071 177.300 -0.058 0.000 1.157 235 P CA 1.807 64.884 63.100 -0.038 0.000 0.859 235 P CB -0.211 31.469 31.700 -0.034 0.000 0.786 236 V N -2.081 117.791 119.914 -0.071 0.000 2.427 236 V HA -0.176 3.946 4.120 0.003 0.000 0.248 236 V C 2.539 178.561 176.094 -0.120 0.000 1.051 236 V CA 1.413 63.645 62.300 -0.113 0.000 1.048 236 V CB -2.052 29.700 31.823 -0.119 0.000 0.666 236 V HN -0.077 nan 8.190 nan 0.000 0.456 237 L N 0.948 122.125 121.223 -0.076 0.000 2.017 237 L HA -0.120 4.222 4.340 0.003 0.000 0.208 237 L C 2.633 179.474 176.870 -0.048 0.000 1.073 237 L CA 2.533 57.339 54.840 -0.056 0.000 0.745 237 L CB -0.916 41.124 42.059 -0.030 0.000 0.894 237 L HN 0.532 nan 8.230 nan 0.000 0.432 238 E N -0.769 119.406 120.200 -0.041 0.000 2.077 238 E HA -0.245 4.106 4.350 0.003 0.000 0.193 238 E C 2.033 178.609 176.600 -0.040 0.000 0.989 238 E CA 1.152 57.534 56.400 -0.031 0.000 0.800 238 E CB -0.108 29.577 29.700 -0.025 0.000 0.746 238 E HN 0.633 nan 8.360 nan 0.000 0.452 239 A N 0.789 123.570 122.820 -0.065 0.000 1.873 239 A HA -0.145 4.177 4.320 0.003 0.000 0.215 239 A C 2.430 179.961 177.584 -0.088 0.000 1.186 239 A CA 1.781 53.771 52.037 -0.078 0.000 0.616 239 A CB -0.919 18.018 19.000 -0.106 0.000 0.823 239 A HN 0.305 nan 8.150 nan 0.000 0.442 240 V N -2.317 117.513 119.914 -0.141 0.000 2.515 240 V HA -0.023 4.098 4.120 0.003 0.000 0.250 240 V C 2.492 178.599 176.094 0.022 0.000 1.058 240 V CA 1.752 63.988 62.300 -0.106 0.000 1.064 240 V CB -1.474 30.234 31.823 -0.193 0.000 0.675 240 V HN 0.505 nan 8.190 nan 0.000 0.461 241 A N 0.847 123.669 122.820 0.002 0.000 1.877 241 A HA -0.159 4.163 4.320 0.003 0.000 0.216 241 A C 2.331 179.928 177.584 0.023 0.000 1.186 241 A CA 2.121 54.169 52.037 0.019 0.000 0.620 241 A CB -0.579 18.425 19.000 0.007 0.000 0.822 241 A HN 0.595 nan 8.150 nan 0.000 0.443 242 K N -0.301 120.105 120.400 0.011 0.000 2.211 242 K HA 0.040 4.361 4.320 0.003 0.000 0.203 242 K C 2.001 178.617 176.600 0.027 0.000 1.050 242 K CA 0.846 57.141 56.287 0.014 0.000 0.945 242 K CB -0.234 32.267 32.500 0.003 0.000 0.732 242 K HN 0.437 nan 8.250 nan 0.000 0.451 243 A N 0.561 123.406 122.820 0.041 0.000 2.168 243 A HA 0.065 4.386 4.320 0.003 0.000 0.215 243 A C 1.490 179.124 177.584 0.084 0.000 1.152 243 A CA 1.188 53.270 52.037 0.075 0.000 0.716 243 A CB -0.393 18.681 19.000 0.123 0.000 0.794 243 A HN 0.431 nan 8.150 nan 0.000 0.465 244 G N -1.434 107.409 108.800 0.071 0.000 2.144 244 G HA2 -0.194 3.768 3.960 0.003 0.000 0.218 244 G HA3 -0.194 3.768 3.960 0.003 0.000 0.218 244 G C 0.060 175.001 174.900 0.068 0.000 0.988 244 G CA 0.344 45.478 45.100 0.057 0.000 0.659 244 G HN 0.542 nan 8.290 nan 0.000 0.522 245 K N 0.937 121.403 120.400 0.111 0.000 2.208 245 K HA 0.578 4.899 4.320 0.003 0.000 0.247 245 K C -2.210 174.457 176.600 0.111 0.000 0.953 245 K CA -1.903 54.458 56.287 0.122 0.000 0.837 245 K CB 2.422 35.056 32.500 0.223 0.000 1.131 245 K HN 0.073 nan 8.250 nan 0.000 0.431 246 P HA 0.162 nan 4.420 nan 0.000 0.276 246 P C -1.131 176.221 177.300 0.087 0.000 1.252 246 P CA -0.526 62.606 63.100 0.052 0.000 0.802 246 P CB 0.807 32.518 31.700 0.018 0.000 1.035 247 L N 2.024 123.272 121.223 0.043 0.000 2.410 247 L HA 0.422 4.763 4.340 0.003 0.000 0.270 247 L C -1.426 175.439 176.870 -0.009 0.000 0.983 247 L CA -0.974 53.897 54.840 0.052 0.000 0.822 247 L CB 1.821 43.898 42.059 0.030 0.000 1.285 247 L HN 0.295 nan 8.230 nan 0.000 0.409 248 L N 6.629 127.861 121.223 0.016 0.000 2.298 248 L HA 0.497 4.838 4.340 0.003 0.000 0.284 248 L C -0.577 176.305 176.870 0.019 0.000 1.013 248 L CA -0.420 54.415 54.840 -0.009 0.000 0.824 248 L CB 1.557 43.627 42.059 0.018 0.000 1.221 248 L HN 0.575 nan 8.230 nan 0.000 0.418 249 I N 6.276 126.846 120.570 0.001 0.000 2.325 249 I HA 0.310 4.482 4.170 0.003 0.000 0.291 249 I C 0.056 176.211 176.117 0.063 0.000 1.019 249 I CA -0.182 61.136 61.300 0.029 0.000 1.302 249 I CB 1.110 39.124 38.000 0.023 0.000 1.401 249 I HN 0.428 nan 8.210 nan 0.000 0.485 250 I N 6.287 126.897 120.570 0.067 0.000 2.389 250 I HA 0.717 4.889 4.170 0.003 0.000 0.288 250 I C 0.023 176.169 176.117 0.047 0.000 0.999 250 I CA -0.316 61.030 61.300 0.076 0.000 1.129 250 I CB 1.666 39.708 38.000 0.071 0.000 1.288 250 I HN 0.652 nan 8.210 nan 0.000 0.444 251 A N 4.641 127.492 122.820 0.052 0.000 2.593 251 A HA 0.478 4.800 4.320 0.003 0.000 0.290 251 A C 0.444 178.054 177.584 0.042 0.000 1.126 251 A CA -0.568 51.493 52.037 0.040 0.000 0.695 251 A CB 1.358 20.385 19.000 0.046 0.000 1.290 251 A HN 0.752 nan 8.150 nan 0.000 0.414 252 E N -0.076 120.145 120.200 0.035 0.000 2.118 252 E HA -0.120 4.231 4.350 0.003 0.000 0.195 252 E C -0.180 176.456 176.600 0.060 0.000 0.992 252 E CA 1.527 57.954 56.400 0.046 0.000 0.804 252 E CB 0.166 29.891 29.700 0.041 0.000 0.741 252 E HN 0.583 nan 8.360 nan 0.000 0.458 253 D N -1.908 118.525 120.400 0.056 0.000 2.738 253 D HA 0.242 4.884 4.640 0.003 0.000 0.308 253 D C -1.731 174.605 176.300 0.060 0.000 1.311 253 D CA -0.463 53.574 54.000 0.062 0.000 0.799 253 D CB 2.236 43.070 40.800 0.056 0.000 1.332 253 D HN -0.231 nan 8.370 nan 0.000 0.441 254 V N 1.364 121.317 119.914 0.066 0.000 2.668 254 V HA 0.297 4.419 4.120 0.003 0.000 0.304 254 V C -0.145 175.982 176.094 0.056 0.000 1.071 254 V CA -0.773 61.566 62.300 0.065 0.000 0.894 254 V CB 1.810 33.686 31.823 0.089 0.000 1.008 254 V HN 0.486 nan 8.190 nan 0.000 0.425 255 E N 2.407 122.633 120.200 0.044 0.000 2.404 255 E HA 0.369 4.721 4.350 0.003 0.000 0.261 255 E C 1.400 178.019 176.600 0.033 0.000 1.074 255 E CA 0.971 57.392 56.400 0.034 0.000 0.917 255 E CB 1.430 31.145 29.700 0.026 0.000 0.965 255 E HN 0.743 nan 8.360 nan 0.000 0.433 256 G N 2.583 111.397 108.800 0.023 0.000 2.450 256 G HA2 -0.310 3.652 3.960 0.003 0.000 0.220 256 G HA3 -0.310 3.652 3.960 0.003 0.000 0.220 256 G C 1.253 176.158 174.900 0.009 0.000 1.130 256 G CA 0.956 46.065 45.100 0.014 0.000 0.760 256 G HN 0.675 nan 8.290 nan 0.000 0.557 257 E N 0.118 120.324 120.200 0.010 0.000 2.158 257 E HA 0.138 4.490 4.350 0.003 0.000 0.191 257 E C 2.735 179.346 176.600 0.018 0.000 0.982 257 E CA 0.675 57.080 56.400 0.007 0.000 0.823 257 E CB -0.139 29.564 29.700 0.004 0.000 0.766 257 E HN 0.333 nan 8.360 nan 0.000 0.468 258 A N 1.412 124.250 122.820 0.030 0.000 1.898 258 A HA -0.150 4.172 4.320 0.003 0.000 0.216 258 A C 2.172 179.797 177.584 0.069 0.000 1.181 258 A CA 1.039 53.103 52.037 0.045 0.000 0.620 258 A CB -0.744 18.285 19.000 0.048 0.000 0.819 258 A HN 0.420 nan 8.150 nan 0.000 0.442 259 L N -0.556 120.709 121.223 0.069 0.000 1.989 259 L HA -0.217 4.125 4.340 0.003 0.000 0.211 259 L C 2.860 179.751 176.870 0.034 0.000 1.071 259 L CA 1.785 56.672 54.840 0.079 0.000 0.749 259 L CB -0.420 41.672 42.059 0.054 0.000 0.890 259 L HN 0.402 nan 8.230 nan 0.000 0.431 260 A N -0.459 122.360 122.820 -0.002 0.000 1.877 260 A HA -0.252 4.070 4.320 0.003 0.000 0.216 260 A C 2.338 179.911 177.584 -0.019 0.000 1.186 260 A CA 2.531 54.545 52.037 -0.038 0.000 0.620 260 A CB -1.301 17.674 19.000 -0.042 0.000 0.822 260 A HN 0.645 nan 8.150 nan 0.000 0.443 261 T N -1.140 113.419 114.554 0.009 0.000 2.746 261 T HA -0.097 4.254 4.350 0.003 0.000 0.267 261 T C 1.853 176.582 174.700 0.050 0.000 1.039 261 T CA 1.450 63.562 62.100 0.019 0.000 1.142 261 T CB -0.647 68.232 68.868 0.020 0.000 0.866 261 T HN 0.280 nan 8.240 nan 0.000 0.444 262 L N 0.595 121.874 121.223 0.093 0.000 1.989 262 L HA -0.082 4.259 4.340 0.003 0.000 0.211 262 L C 3.010 180.013 176.870 0.223 0.000 1.071 262 L CA 1.088 56.033 54.840 0.175 0.000 0.749 262 L CB -0.797 41.419 42.059 0.261 0.000 0.890 262 L HN 0.156 nan 8.230 nan 0.000 0.431 263 V N -0.598 119.393 119.914 0.129 0.000 2.255 263 V HA -0.289 3.833 4.120 0.003 0.000 0.247 263 V C 2.421 178.511 176.094 -0.006 0.000 1.051 263 V CA 1.822 64.122 62.300 -0.001 0.000 1.018 263 V CB -0.303 31.400 31.823 -0.199 0.000 0.641 263 V HN 0.199 nan 8.190 nan 0.000 0.445 264 V N 0.365 120.258 119.914 -0.035 0.000 2.332 264 V HA -0.256 3.866 4.120 0.003 0.000 0.248 264 V C 2.288 178.387 176.094 0.007 0.000 1.055 264 V CA 2.291 64.568 62.300 -0.039 0.000 1.038 264 V CB -0.776 31.020 31.823 -0.045 0.000 0.651 264 V HN 0.597 nan 8.190 nan 0.000 0.450 265 N N -0.092 118.629 118.700 0.036 0.000 2.409 265 N HA -0.101 4.640 4.740 0.003 0.000 0.179 265 N C 1.912 177.461 175.510 0.065 0.000 1.032 265 N CA 1.686 54.762 53.050 0.043 0.000 0.898 265 N CB 0.228 38.740 38.487 0.041 0.000 0.971 265 N HN 0.729 nan 8.380 nan 0.000 0.441 266 T N -1.228 113.390 114.554 0.106 0.000 2.939 266 T HA -0.003 4.348 4.350 0.003 0.000 0.254 266 T C 1.455 176.229 174.700 0.123 0.000 1.041 266 T CA 0.096 62.278 62.100 0.137 0.000 1.142 266 T CB -0.377 68.644 68.868 0.254 0.000 0.874 266 T HN 0.205 nan 8.240 nan 0.000 0.452 267 M N 1.486 121.157 119.600 0.118 0.000 3.445 267 M HA 0.497 4.978 4.480 0.003 0.000 0.224 267 M C 0.351 176.693 176.300 0.070 0.000 1.551 267 M CA -0.206 55.160 55.300 0.109 0.000 1.671 267 M CB -0.164 32.528 32.600 0.153 0.000 1.159 267 M HN 0.014 nan 8.290 nan 0.000 0.547 268 R N 0.578 121.114 120.500 0.060 0.000 3.872 268 R HA -0.122 4.219 4.340 0.003 0.000 0.341 268 R C 0.380 176.699 176.300 0.033 0.000 1.172 268 R CA 0.833 56.958 56.100 0.042 0.000 0.901 268 R CB -2.043 28.280 30.300 0.037 0.000 1.422 268 R HN 0.990 nan 8.270 nan 0.000 0.523 269 G N -0.020 108.802 108.800 0.035 0.000 3.152 269 G HA2 0.349 4.311 3.960 0.003 0.000 0.157 269 G HA3 0.349 4.311 3.960 0.003 0.000 0.157 269 G C 1.352 176.267 174.900 0.025 0.000 1.786 269 G CA 0.389 45.505 45.100 0.027 0.000 1.055 269 G HN 0.156 nan 8.290 nan 0.000 0.528 270 I N -1.141 119.444 120.570 0.025 0.000 3.366 270 I HA 0.185 4.357 4.170 0.003 0.000 0.267 270 I C -0.144 175.988 176.117 0.024 0.000 1.149 270 I CA 0.265 61.577 61.300 0.021 0.000 1.436 270 I CB 0.597 38.607 38.000 0.016 0.000 1.379 270 I HN -0.097 nan 8.210 nan 0.000 0.460 271 V N 3.002 122.932 119.914 0.027 0.000 2.347 271 V HA 0.256 4.377 4.120 0.003 0.000 0.280 271 V C -0.190 175.924 176.094 0.033 0.000 1.021 271 V CA -0.585 61.730 62.300 0.025 0.000 0.847 271 V CB 1.136 32.970 31.823 0.020 0.000 0.990 271 V HN 0.159 nan 8.190 nan 0.000 0.444 272 K N 5.097 125.514 120.400 0.027 0.000 2.316 272 K HA 0.750 5.072 4.320 0.003 0.000 0.267 272 K C -0.923 175.675 176.600 -0.003 0.000 1.025 272 K CA -0.344 55.960 56.287 0.028 0.000 0.896 272 K CB 1.429 33.949 32.500 0.034 0.000 1.124 272 K HN 0.663 nan 8.250 nan 0.000 0.451 273 V N -0.521 119.365 119.914 -0.047 0.000 3.258 273 V HA 0.931 5.053 4.120 0.003 0.000 0.298 273 V C -1.686 174.181 176.094 -0.377 0.000 1.489 273 V CA -0.934 61.288 62.300 -0.130 0.000 1.062 273 V CB 1.281 33.054 31.823 -0.084 0.000 1.116 273 V HN 0.781 nan 8.190 nan 0.000 0.464 274 A N -0.113 122.400 122.820 -0.512 0.000 2.588 274 A HA 1.148 5.470 4.320 0.003 0.000 0.290 274 A C -0.498 176.745 177.584 -0.568 0.000 1.136 274 A CA -0.402 50.986 52.037 -1.081 0.000 0.681 274 A CB 1.402 19.921 19.000 -0.802 0.000 1.282 274 A HN 2.868 nan 8.150 nan 0.000 0.421 275 A N -0.667 121.895 122.820 -0.430 0.000 2.547 275 A HA 0.819 5.140 4.320 0.003 0.000 0.297 275 A C -0.786 176.909 177.584 0.186 0.000 1.056 275 A CA 0.065 52.105 52.037 0.004 0.000 0.688 275 A CB 1.095 20.161 19.000 0.110 0.000 1.282 275 A HN 2.402 nan 8.150 nan 0.000 0.400 276 V N -1.220 118.794 119.914 0.167 0.000 3.147 276 V HA 0.684 4.806 4.120 0.003 0.000 0.306 276 V C -0.572 175.628 176.094 0.177 0.000 1.209 276 V CA -1.299 61.119 62.300 0.198 0.000 1.023 276 V CB 1.556 33.507 31.823 0.213 0.000 1.059 276 V HN 0.894 nan 8.190 nan 0.000 0.435 277 K N 1.788 122.293 120.400 0.175 0.000 2.295 277 K HA 0.660 4.981 4.320 0.003 0.000 0.270 277 K C 0.483 177.178 176.600 0.158 0.000 1.011 277 K CA 0.423 56.798 56.287 0.146 0.000 0.953 277 K CB 1.188 33.765 32.500 0.128 0.000 0.956 277 K HN 1.140 nan 8.250 nan 0.000 0.477 278 A N 4.314 127.175 122.820 0.069 0.000 2.425 278 A HA 0.210 4.532 4.320 0.003 0.000 0.242 278 A C -2.099 175.412 177.584 -0.121 0.000 1.077 278 A CA -1.109 50.898 52.037 -0.051 0.000 0.781 278 A CB -0.384 18.588 19.000 -0.046 0.000 1.020 278 A HN 0.490 nan 8.150 nan 0.000 0.494 279 P HA 0.353 nan 4.420 nan 0.000 0.271 279 P C 0.768 178.002 177.300 -0.109 0.000 1.216 279 P CA 1.538 64.422 63.100 -0.360 0.000 0.771 279 P CB 0.514 31.804 31.700 -0.683 0.000 0.864 280 G N 2.804 111.619 108.800 0.025 0.000 2.562 280 G HA2 -0.057 3.905 3.960 0.003 0.000 0.250 280 G HA3 -0.057 3.905 3.960 0.003 0.000 0.250 280 G C -0.870 174.175 174.900 0.241 0.000 1.269 280 G CA 0.136 45.304 45.100 0.114 0.000 0.919 280 G HN 0.793 nan 8.290 nan 0.000 0.574 281 F N -2.280 117.669 119.950 -0.003 0.000 2.688 281 F HA 0.690 5.218 4.527 0.003 0.000 0.308 281 F C 0.803 176.604 175.800 0.003 0.000 1.117 281 F CA 0.551 58.553 58.000 0.003 0.000 0.976 281 F CB 0.930 39.939 39.000 0.015 0.000 1.291 281 F HN 2.542 nan 8.300 nan 0.000 0.439 282 G N 2.819 111.567 108.800 -0.087 0.000 2.574 282 G HA2 -0.382 3.579 3.960 0.003 0.000 0.286 282 G HA3 -0.382 3.579 3.960 0.003 0.000 0.286 282 G C 0.288 175.076 174.900 -0.186 0.000 1.212 282 G CA 0.852 45.855 45.100 -0.162 0.000 0.979 282 G HN 1.006 nan 8.290 nan 0.000 0.557 283 D N 0.535 120.813 120.400 -0.203 0.000 2.190 283 D HA -0.049 4.593 4.640 0.003 0.000 0.200 283 D C 2.452 178.663 176.300 -0.150 0.000 0.992 283 D CA 1.637 55.549 54.000 -0.147 0.000 0.854 283 D CB -0.101 40.618 40.800 -0.134 0.000 0.936 283 D HN 0.349 nan 8.370 nan 0.000 0.462 284 R N 0.572 120.942 120.500 -0.217 0.000 2.200 284 R HA -0.084 4.257 4.340 0.003 0.000 0.234 284 R C 2.001 178.230 176.300 -0.118 0.000 1.127 284 R CA 0.917 56.916 56.100 -0.169 0.000 0.989 284 R CB -0.547 29.624 30.300 -0.215 0.000 0.869 284 R HN 0.436 nan 8.270 nan 0.000 0.459 285 R N 0.840 121.273 120.500 -0.110 0.000 2.096 285 R HA -0.082 4.260 4.340 0.003 0.000 0.235 285 R C 1.230 177.486 176.300 -0.074 0.000 1.127 285 R CA 1.275 57.324 56.100 -0.085 0.000 0.968 285 R CB -0.293 29.970 30.300 -0.062 0.000 0.861 285 R HN 0.020 nan 8.270 nan 0.000 0.440 286 K N 0.711 121.070 120.400 -0.067 0.000 2.152 286 K HA -0.079 4.243 4.320 0.003 0.000 0.206 286 K C 2.091 178.661 176.600 -0.050 0.000 1.048 286 K CA 1.502 57.758 56.287 -0.052 0.000 0.933 286 K CB -0.182 32.289 32.500 -0.049 0.000 0.721 286 K HN 0.391 nan 8.250 nan 0.000 0.447 287 A N 1.331 124.117 122.820 -0.057 0.000 1.844 287 A HA -0.002 4.319 4.320 0.003 0.000 0.212 287 A C 2.237 179.786 177.584 -0.059 0.000 1.221 287 A CA 0.853 52.860 52.037 -0.051 0.000 0.607 287 A CB -0.365 18.606 19.000 -0.049 0.000 0.878 287 A HN 0.118 nan 8.150 nan 0.000 0.451 288 M N -1.050 118.504 119.600 -0.078 0.000 2.319 288 M HA -0.011 4.471 4.480 0.003 0.000 0.265 288 M C 2.032 178.256 176.300 -0.126 0.000 1.068 288 M CA 0.924 56.163 55.300 -0.102 0.000 1.118 288 M CB -0.244 32.280 32.600 -0.127 0.000 1.395 288 M HN 0.388 nan 8.290 nan 0.000 0.435 289 L N 0.173 121.329 121.223 -0.112 0.000 2.179 289 L HA -0.117 4.225 4.340 0.003 0.000 0.208 289 L C 2.397 179.233 176.870 -0.057 0.000 1.096 289 L CA 1.625 56.406 54.840 -0.098 0.000 0.779 289 L CB -0.368 41.643 42.059 -0.080 0.000 0.922 289 L HN 0.206 nan 8.230 nan 0.000 0.443 290 Q N -0.638 119.134 119.800 -0.047 0.000 2.187 290 Q HA -0.151 4.190 4.340 0.003 0.000 0.199 290 Q C 1.688 177.674 176.000 -0.023 0.000 0.957 290 Q CA 1.404 57.190 55.803 -0.029 0.000 0.857 290 Q CB -0.016 28.706 28.738 -0.027 0.000 0.929 290 Q HN 0.465 nan 8.270 nan 0.000 0.453 291 D N 0.022 120.404 120.400 -0.031 0.000 2.104 291 D HA -0.178 4.463 4.640 0.003 0.000 0.194 291 D C 1.790 178.084 176.300 -0.010 0.000 0.994 291 D CA 1.329 55.317 54.000 -0.020 0.000 0.830 291 D CB -0.179 40.605 40.800 -0.025 0.000 0.959 291 D HN 0.354 nan 8.370 nan 0.000 0.452 292 I N 1.293 121.851 120.570 -0.020 0.000 2.179 292 I HA -0.267 3.905 4.170 0.003 0.000 0.242 292 I C 2.554 178.677 176.117 0.010 0.000 1.088 292 I CA 1.077 62.377 61.300 0.002 0.000 1.357 292 I CB -0.277 37.714 38.000 -0.014 0.000 1.051 292 I HN -0.076 nan 8.210 nan 0.000 0.409 293 A N 0.449 123.270 122.820 0.002 0.000 1.908 293 A HA -0.225 4.096 4.320 0.003 0.000 0.218 293 A C 2.366 179.957 177.584 0.012 0.000 1.181 293 A CA 2.608 54.651 52.037 0.010 0.000 0.627 293 A CB -1.105 17.897 19.000 0.003 0.000 0.818 293 A HN 0.432 nan 8.150 nan 0.000 0.445 294 T N -0.229 114.329 114.554 0.006 0.000 2.812 294 T HA -0.070 4.282 4.350 0.003 0.000 0.264 294 T C 1.767 176.472 174.700 0.009 0.000 1.042 294 T CA 1.293 63.396 62.100 0.006 0.000 1.140 294 T CB -0.298 68.571 68.868 0.001 0.000 0.870 294 T HN 0.297 nan 8.240 nan 0.000 0.445 295 L N 2.148 123.378 121.223 0.011 0.000 2.201 295 L HA 0.010 4.352 4.340 0.003 0.000 0.212 295 L C 2.167 179.046 176.870 0.014 0.000 1.105 295 L CA 1.707 56.555 54.840 0.014 0.000 0.775 295 L CB -0.708 41.363 42.059 0.020 0.000 0.913 295 L HN 0.413 nan 8.230 nan 0.000 0.440 296 T N -5.374 109.191 114.554 0.018 0.000 3.044 296 T HA 0.408 4.759 4.350 0.003 0.000 0.260 296 T C 1.361 176.074 174.700 0.020 0.000 1.019 296 T CA 0.204 62.314 62.100 0.017 0.000 0.921 296 T CB 0.240 69.126 68.868 0.030 0.000 1.053 296 T HN 0.460 nan 8.240 nan 0.000 0.533 297 G N 0.683 109.495 108.800 0.021 0.000 2.162 297 G HA2 -0.106 3.856 3.960 0.003 0.000 0.260 297 G HA3 -0.106 3.856 3.960 0.003 0.000 0.260 297 G C 0.554 175.477 174.900 0.038 0.000 0.976 297 G CA -0.008 45.107 45.100 0.025 0.000 0.655 297 G HN 1.038 nan 8.290 nan 0.000 0.533 298 G N -1.265 107.562 108.800 0.044 0.000 2.525 298 G HA2 0.644 4.605 3.960 0.003 0.000 0.287 298 G HA3 0.644 4.605 3.960 0.003 0.000 0.287 298 G C -0.143 174.776 174.900 0.032 0.000 1.350 298 G CA 0.527 45.658 45.100 0.052 0.000 1.039 298 G HN 0.684 nan 8.290 nan 0.000 0.513 299 T N -0.262 114.308 114.554 0.027 0.000 2.863 299 T HA 0.439 4.790 4.350 0.003 0.000 0.285 299 T C 0.078 174.784 174.700 0.009 0.000 1.009 299 T CA -0.387 61.721 62.100 0.014 0.000 0.989 299 T CB 1.611 70.485 68.868 0.010 0.000 1.004 299 T HN 0.842 nan 8.240 nan 0.000 0.455 300 V N 1.299 121.214 119.914 0.001 0.000 2.415 300 V HA 0.402 4.523 4.120 0.003 0.000 0.267 300 V C -0.041 176.051 176.094 -0.004 0.000 1.042 300 V CA -0.586 61.712 62.300 -0.004 0.000 1.000 300 V CB -0.973 30.842 31.823 -0.013 0.000 1.015 300 V HN 0.695 nan 8.190 nan 0.000 0.478 301 I N 5.185 125.754 120.570 -0.002 0.000 2.372 301 I HA 0.171 4.343 4.170 0.003 0.000 0.298 301 I C 0.833 176.947 176.117 -0.004 0.000 1.137 301 I CA 1.122 62.420 61.300 -0.003 0.000 1.314 301 I CB 0.076 38.074 38.000 -0.003 0.000 1.444 301 I HN 0.667 nan 8.210 nan 0.000 0.541 302 S N 5.435 121.132 115.700 -0.005 0.000 2.520 302 S HA 0.242 4.714 4.470 0.003 0.000 0.324 302 S C 1.043 175.640 174.600 -0.005 0.000 1.069 302 S CA -0.677 57.519 58.200 -0.006 0.000 1.121 302 S CB 0.850 64.045 63.200 -0.008 0.000 0.971 302 S HN 0.587 nan 8.310 nan 0.000 0.463 303 E N 2.035 122.233 120.200 -0.004 0.000 2.265 303 E HA -0.151 4.201 4.350 0.003 0.000 0.196 303 E C 1.069 177.667 176.600 -0.004 0.000 0.996 303 E CA 0.778 57.176 56.400 -0.003 0.000 0.832 303 E CB 0.105 29.805 29.700 -0.001 0.000 0.756 303 E HN 0.674 nan 8.360 nan 0.000 0.491 304 E N -0.031 120.166 120.200 -0.005 0.000 2.472 304 E HA -0.087 4.265 4.350 0.003 0.000 0.200 304 E C 0.839 177.435 176.600 -0.007 0.000 1.046 304 E CA 0.528 56.924 56.400 -0.006 0.000 0.871 304 E CB 0.201 29.895 29.700 -0.009 0.000 0.806 304 E HN 0.339 nan 8.360 nan 0.000 0.533 305 I N -1.007 119.559 120.570 -0.006 0.000 3.621 305 I HA 0.247 4.418 4.170 0.003 0.000 0.325 305 I C 0.866 176.981 176.117 -0.005 0.000 1.554 305 I CA -0.235 61.062 61.300 -0.006 0.000 1.053 305 I CB 0.931 38.927 38.000 -0.006 0.000 1.302 305 I HN 0.039 nan 8.210 nan 0.000 0.518 306 G N 1.567 110.364 108.800 -0.004 0.000 2.189 306 G HA2 -0.304 3.658 3.960 0.003 0.000 0.267 306 G HA3 -0.304 3.658 3.960 0.003 0.000 0.267 306 G C 0.408 175.306 174.900 -0.004 0.000 0.975 306 G CA 0.314 45.412 45.100 -0.004 0.000 0.644 306 G HN 0.378 nan 8.290 nan 0.000 0.537 307 M N -0.291 119.306 119.600 -0.004 0.000 2.157 307 M HA 0.579 5.061 4.480 0.003 0.000 0.304 307 M C 0.496 176.793 176.300 -0.005 0.000 1.171 307 M CA 0.364 55.661 55.300 -0.005 0.000 1.157 307 M CB 0.807 33.404 32.600 -0.005 0.000 1.403 307 M HN 0.221 nan 8.290 nan 0.000 0.473 308 E N 0.459 120.656 120.200 -0.006 0.000 2.390 308 E HA 0.234 4.586 4.350 0.003 0.000 0.280 308 E C -0.584 176.011 176.600 -0.008 0.000 0.992 308 E CA -0.333 56.063 56.400 -0.006 0.000 0.790 308 E CB 1.848 31.545 29.700 -0.005 0.000 1.248 308 E HN 0.730 nan 8.360 nan 0.000 0.447 309 L N 1.990 123.208 121.223 -0.008 0.000 2.217 309 L HA -0.042 4.300 4.340 0.003 0.000 0.211 309 L C 1.899 178.759 176.870 -0.017 0.000 1.107 309 L CA 1.046 55.879 54.840 -0.012 0.000 0.783 309 L CB -0.055 42.000 42.059 -0.007 0.000 0.919 309 L HN 0.550 nan 8.230 nan 0.000 0.442 310 E N 0.065 120.256 120.200 -0.015 0.000 2.347 310 E HA -0.169 4.183 4.350 0.003 0.000 0.196 310 E C 1.311 177.899 176.600 -0.020 0.000 1.008 310 E CA 0.663 57.053 56.400 -0.018 0.000 0.852 310 E CB 0.139 29.831 29.700 -0.013 0.000 0.783 310 E HN 0.331 nan 8.360 nan 0.000 0.505 311 K N 0.174 120.564 120.400 -0.018 0.000 2.358 311 K HA 0.215 4.537 4.320 0.003 0.000 0.200 311 K C 0.210 176.798 176.600 -0.019 0.000 1.030 311 K CA -0.059 56.218 56.287 -0.017 0.000 1.097 311 K CB 1.020 33.513 32.500 -0.012 0.000 0.862 311 K HN -0.001 nan 8.250 nan 0.000 0.534 312 A N 0.639 123.445 122.820 -0.023 0.000 2.386 312 A HA 0.473 4.794 4.320 0.003 0.000 0.246 312 A C 0.079 177.638 177.584 -0.042 0.000 1.089 312 A CA 0.172 52.192 52.037 -0.028 0.000 0.790 312 A CB 0.311 19.293 19.000 -0.029 0.000 1.042 312 A HN 0.177 nan 8.150 nan 0.000 0.497 313 T N 0.135 114.661 114.554 -0.047 0.000 2.864 313 T HA 0.391 4.743 4.350 0.003 0.000 0.299 313 T C 0.748 175.395 174.700 -0.088 0.000 1.166 313 T CA -0.593 61.469 62.100 -0.063 0.000 1.007 313 T CB 1.011 69.857 68.868 -0.037 0.000 1.219 313 T HN 0.304 nan 8.240 nan 0.000 0.506 314 L N 1.351 122.495 121.223 -0.133 0.000 2.261 314 L HA -0.100 4.242 4.340 0.003 0.000 0.216 314 L C 2.511 179.385 176.870 0.008 0.000 1.114 314 L CA 1.706 56.424 54.840 -0.204 0.000 0.777 314 L CB -0.939 40.962 42.059 -0.262 0.000 0.910 314 L HN 0.832 nan 8.230 nan 0.000 0.440 315 E N -1.418 118.799 120.200 0.028 0.000 2.267 315 E HA -0.218 4.133 4.350 0.003 0.000 0.197 315 E C 1.026 177.659 176.600 0.054 0.000 0.998 315 E CA 1.429 57.863 56.400 0.057 0.000 0.830 315 E CB -0.298 29.421 29.700 0.031 0.000 0.751 315 E HN 0.522 nan 8.360 nan 0.000 0.491 316 D N 0.384 120.802 120.400 0.029 0.000 2.327 316 D HA 0.042 4.684 4.640 0.003 0.000 0.205 316 D C 0.024 176.354 176.300 0.051 0.000 0.989 316 D CA 0.193 54.209 54.000 0.028 0.000 0.873 316 D CB 0.263 41.065 40.800 0.003 0.000 0.955 316 D HN 0.140 nan 8.370 nan 0.000 0.515 317 L N 1.687 122.952 121.223 0.070 0.000 2.315 317 L HA 0.271 4.613 4.340 0.003 0.000 0.283 317 L C 1.202 178.231 176.870 0.264 0.000 1.089 317 L CA -0.170 54.754 54.840 0.140 0.000 0.833 317 L CB 0.921 43.006 42.059 0.044 0.000 1.170 317 L HN -0.180 nan 8.230 nan 0.000 0.442 318 G N 3.399 112.300 108.800 0.169 0.000 2.432 318 G HA2 0.265 4.226 3.960 0.003 0.000 0.239 318 G HA3 0.265 4.226 3.960 0.003 0.000 0.239 318 G C -0.339 174.625 174.900 0.107 0.000 1.291 318 G CA -0.408 44.763 45.100 0.119 0.000 0.863 318 G HN 0.606 nan 8.290 nan 0.000 0.560 319 Q N -0.212 119.594 119.800 0.010 0.000 2.309 319 Q HA 0.628 4.969 4.340 0.003 0.000 0.264 319 Q C -0.270 175.684 176.000 -0.077 0.000 1.008 319 Q CA -0.630 55.100 55.803 -0.122 0.000 0.853 319 Q CB 2.294 30.875 28.738 -0.263 0.000 1.314 319 Q HN 0.722 nan 8.270 nan 0.000 0.448 320 A N 1.446 124.213 122.820 -0.087 0.000 2.556 320 A HA 0.409 4.730 4.320 0.003 0.000 0.294 320 A C -0.341 177.202 177.584 -0.069 0.000 1.091 320 A CA -0.643 51.362 52.037 -0.053 0.000 0.704 320 A CB 1.446 20.437 19.000 -0.014 0.000 1.300 320 A HN 0.766 nan 8.150 nan 0.000 0.406 321 K N -0.466 119.905 120.400 -0.050 0.000 2.365 321 K HA 0.139 4.460 4.320 0.003 0.000 0.197 321 K C 0.456 177.037 176.600 -0.033 0.000 1.042 321 K CA 0.903 57.162 56.287 -0.047 0.000 0.987 321 K CB 0.200 32.677 32.500 -0.039 0.000 0.779 321 K HN 0.560 nan 8.250 nan 0.000 0.484 322 R N -0.495 119.992 120.500 -0.022 0.000 2.680 322 R HA 0.416 4.758 4.340 0.003 0.000 0.269 322 R C -1.975 174.322 176.300 -0.005 0.000 1.026 322 R CA -0.600 55.492 56.100 -0.013 0.000 0.889 322 R CB 2.627 32.922 30.300 -0.009 0.000 1.241 322 R HN -0.152 nan 8.270 nan 0.000 0.463 323 V N 2.866 122.778 119.914 -0.003 0.000 2.888 323 V HA 0.753 4.875 4.120 0.003 0.000 0.309 323 V C -1.358 174.734 176.094 -0.003 0.000 1.114 323 V CA -0.495 61.805 62.300 -0.001 0.000 0.940 323 V CB 2.241 34.070 31.823 0.009 0.000 1.021 323 V HN 0.581 nan 8.190 nan 0.000 0.426 324 V N 4.266 124.172 119.914 -0.014 0.000 2.876 324 V HA 0.857 4.978 4.120 0.003 0.000 0.312 324 V C -1.190 174.890 176.094 -0.023 0.000 1.085 324 V CA -0.726 61.572 62.300 -0.002 0.000 0.945 324 V CB 1.896 33.725 31.823 0.010 0.000 1.017 324 V HN 0.764 nan 8.190 nan 0.000 0.428 325 I N 4.131 124.714 120.570 0.021 0.000 2.656 325 I HA 0.621 4.792 4.170 0.003 0.000 0.292 325 I C -0.302 175.867 176.117 0.087 0.000 1.144 325 I CA -0.221 61.096 61.300 0.027 0.000 1.038 325 I CB 2.197 40.258 38.000 0.101 0.000 1.244 325 I HN 1.002 nan 8.210 nan 0.000 0.420 326 N N 4.443 123.119 118.700 -0.040 0.000 3.184 326 N HA 0.334 5.076 4.740 0.003 0.000 0.353 326 N C 0.697 175.854 175.510 -0.587 0.000 1.441 326 N CA -0.714 52.282 53.050 -0.090 0.000 0.723 326 N CB 0.565 38.973 38.487 -0.132 0.000 1.547 326 N HN 0.528 nan 8.380 nan 0.000 0.624 327 K N -0.973 119.095 120.400 -0.555 0.000 2.228 327 K HA -0.183 4.139 4.320 0.003 0.000 0.205 327 K C -0.467 175.833 176.600 -0.501 0.000 1.045 327 K CA 2.478 58.370 56.287 -0.659 0.000 0.931 327 K CB -0.154 32.204 32.500 -0.236 0.000 0.727 327 K HN 0.735 nan 8.250 nan 0.000 0.458 328 D N -2.969 117.225 120.400 -0.344 0.000 2.601 328 D HA 0.052 4.694 4.640 0.003 0.000 0.350 328 D C -0.545 175.665 176.300 -0.150 0.000 1.386 328 D CA -0.335 53.544 54.000 -0.202 0.000 0.929 328 D CB 0.296 41.013 40.800 -0.137 0.000 1.456 328 D HN -0.096 nan 8.370 nan 0.000 0.430 329 T N -0.303 114.140 114.554 -0.184 0.000 2.885 329 T HA 0.625 4.976 4.350 0.003 0.000 0.322 329 T C -1.213 173.333 174.700 -0.256 0.000 1.387 329 T CA -0.347 61.642 62.100 -0.185 0.000 1.041 329 T CB 2.399 71.190 68.868 -0.128 0.000 1.287 329 T HN -0.111 nan 8.240 nan 0.000 0.491 330 T N 1.518 115.804 114.554 -0.447 0.000 2.907 330 T HA 0.780 5.132 4.350 0.003 0.000 0.292 330 T C -0.825 173.553 174.700 -0.537 0.000 1.043 330 T CA -0.557 61.214 62.100 -0.549 0.000 1.003 330 T CB 1.963 70.294 68.868 -0.894 0.000 1.084 330 T HN 0.614 nan 8.240 nan 0.000 0.483 331 T N 2.063 116.440 114.554 -0.295 0.000 2.952 331 T HA 0.640 4.992 4.350 0.003 0.000 0.305 331 T C -0.572 174.086 174.700 -0.070 0.000 1.064 331 T CA -0.813 61.186 62.100 -0.169 0.000 1.008 331 T CB 0.331 69.151 68.868 -0.080 0.000 1.078 331 T HN 0.590 nan 8.240 nan 0.000 0.459 332 I N 2.854 123.430 120.570 0.011 0.000 2.612 332 I HA 0.738 4.909 4.170 0.003 0.000 0.295 332 I C -0.781 175.352 176.117 0.027 0.000 1.011 332 I CA -0.793 60.531 61.300 0.040 0.000 1.326 332 I CB 0.956 39.009 38.000 0.089 0.000 1.427 332 I HN 0.534 nan 8.210 nan 0.000 0.537 333 I N 2.595 123.175 120.570 0.015 0.000 2.656 333 I HA 0.288 4.460 4.170 0.003 0.000 0.292 333 I C -0.994 175.124 176.117 0.001 0.000 1.144 333 I CA -0.533 60.771 61.300 0.007 0.000 1.038 333 I CB 1.831 39.831 38.000 -0.000 0.000 1.244 333 I HN 0.738 nan 8.210 nan 0.000 0.420 334 D N 4.311 124.711 120.400 -0.000 0.000 2.760 334 D HA -0.116 4.526 4.640 0.003 0.000 0.244 334 D C 0.234 176.526 176.300 -0.012 0.000 1.123 334 D CA 1.104 55.099 54.000 -0.007 0.000 0.719 334 D CB -0.464 40.328 40.800 -0.012 0.000 1.045 334 D HN 0.905 nan 8.370 nan 0.000 0.426 335 G N 0.023 108.820 108.800 -0.004 0.000 2.398 335 G HA2 0.370 4.331 3.960 0.003 0.000 0.246 335 G HA3 0.370 4.331 3.960 0.003 0.000 0.246 335 G C 0.864 175.756 174.900 -0.014 0.000 1.289 335 G CA -0.336 44.761 45.100 -0.006 0.000 0.869 335 G HN 0.411 nan 8.290 nan 0.000 0.543 336 V N 3.079 122.978 119.914 -0.025 0.000 2.052 336 V HA 0.321 4.443 4.120 0.003 0.000 0.281 336 V C 1.309 177.395 176.094 -0.014 0.000 1.668 336 V CA 0.133 62.415 62.300 -0.030 0.000 1.621 336 V CB -0.578 31.210 31.823 -0.057 0.000 1.488 336 V HN 0.776 nan 8.190 nan 0.000 0.513 337 G N 0.635 109.431 108.800 -0.006 0.000 2.389 337 G HA2 0.526 4.488 3.960 0.003 0.000 0.328 337 G HA3 0.526 4.488 3.960 0.003 0.000 0.328 337 G C -0.361 174.538 174.900 -0.002 0.000 1.133 337 G CA -0.490 44.610 45.100 -0.000 0.000 0.891 337 G HN 0.322 nan 8.290 nan 0.000 0.485 338 E N 1.266 121.466 120.200 0.000 0.000 2.344 338 E HA 0.037 4.388 4.350 0.003 0.000 0.270 338 E C 0.982 177.582 176.600 0.000 0.000 1.021 338 E CA -0.307 56.093 56.400 -0.000 0.000 0.887 338 E CB 1.488 31.189 29.700 0.001 0.000 0.997 338 E HN 0.555 nan 8.360 nan 0.000 0.429 339 E N 2.124 122.323 120.200 -0.001 0.000 2.118 339 E HA -0.220 4.132 4.350 0.003 0.000 0.195 339 E C 1.638 178.238 176.600 0.000 0.000 0.992 339 E CA 1.302 57.702 56.400 -0.001 0.000 0.804 339 E CB -0.008 29.691 29.700 -0.001 0.000 0.741 339 E HN 0.576 nan 8.360 nan 0.000 0.458 340 A N 1.077 123.897 122.820 0.000 0.000 2.024 340 A HA -0.085 4.237 4.320 0.003 0.000 0.220 340 A C 2.300 179.885 177.584 0.001 0.000 1.164 340 A CA 1.861 53.898 52.037 0.000 0.000 0.643 340 A CB -0.262 18.738 19.000 0.000 0.000 0.806 340 A HN 0.271 nan 8.150 nan 0.000 0.451 341 A N -0.597 122.223 122.820 0.001 0.000 1.997 341 A HA 0.238 4.560 4.320 0.003 0.000 0.212 341 A C 2.017 179.602 177.584 0.002 0.000 1.178 341 A CA 0.801 52.839 52.037 0.002 0.000 0.698 341 A CB -0.324 18.677 19.000 0.003 0.000 0.842 341 A HN 0.432 nan 8.150 nan 0.000 0.458 342 I N -0.263 120.308 120.570 0.002 0.000 2.133 342 I HA -0.235 3.936 4.170 0.003 0.000 0.238 342 I C 2.525 178.643 176.117 0.002 0.000 1.074 342 I CA 1.091 62.392 61.300 0.003 0.000 1.342 342 I CB -0.382 37.620 38.000 0.003 0.000 1.053 342 I HN 0.259 nan 8.210 nan 0.000 0.404 343 Q N 0.865 120.665 119.800 0.001 0.000 2.170 343 Q HA -0.121 4.221 4.340 0.003 0.000 0.203 343 Q C 2.300 178.300 176.000 -0.000 0.000 0.976 343 Q CA 1.700 57.503 55.803 0.000 0.000 0.858 343 Q CB -1.012 27.726 28.738 0.000 0.000 0.907 343 Q HN 0.620 nan 8.270 nan 0.000 0.433 344 G N 0.889 109.689 108.800 -0.000 0.000 2.440 344 G HA2 -0.316 3.646 3.960 0.003 0.000 0.218 344 G HA3 -0.316 3.646 3.960 0.003 0.000 0.218 344 G C 1.716 176.615 174.900 -0.001 0.000 1.154 344 G CA 0.957 46.057 45.100 -0.001 0.000 0.767 344 G HN 0.256 nan 8.290 nan 0.000 0.552 345 R N 0.128 120.628 120.500 -0.001 0.000 2.075 345 R HA 0.051 4.392 4.340 0.003 0.000 0.232 345 R C 2.652 178.951 176.300 -0.002 0.000 1.126 345 R CA 1.068 57.167 56.100 -0.002 0.000 0.963 345 R CB -0.915 29.385 30.300 -0.001 0.000 0.858 345 R HN 0.213 nan 8.270 nan 0.000 0.435 346 V N 0.701 120.615 119.914 -0.000 0.000 2.469 346 V HA -0.240 3.882 4.120 0.003 0.000 0.251 346 V C 2.255 178.348 176.094 -0.001 0.000 1.064 346 V CA 1.947 64.246 62.300 -0.000 0.000 1.066 346 V CB -0.829 30.995 31.823 0.001 0.000 0.667 346 V HN 0.507 nan 8.190 nan 0.000 0.461 347 A N -1.092 121.727 122.820 -0.002 0.000 1.872 347 A HA -0.217 4.104 4.320 0.003 0.000 0.214 347 A C 2.179 179.761 177.584 -0.003 0.000 1.187 347 A CA 1.505 53.541 52.037 -0.002 0.000 0.614 347 A CB -0.422 18.577 19.000 -0.002 0.000 0.826 347 A HN 0.569 nan 8.150 nan 0.000 0.442 348 Q N -0.403 119.395 119.800 -0.003 0.000 2.096 348 Q HA -0.145 4.197 4.340 0.003 0.000 0.204 348 Q C 2.008 178.004 176.000 -0.006 0.000 0.982 348 Q CA 1.697 57.498 55.803 -0.005 0.000 0.850 348 Q CB -0.356 28.379 28.738 -0.005 0.000 0.901 348 Q HN 0.750 nan 8.270 nan 0.000 0.422 349 I N 0.124 120.691 120.570 -0.006 0.000 2.394 349 I HA -0.251 3.921 4.170 0.003 0.000 0.251 349 I C 2.312 178.425 176.117 -0.006 0.000 1.136 349 I CA 0.940 62.236 61.300 -0.007 0.000 1.425 349 I CB -0.258 37.738 38.000 -0.007 0.000 1.079 349 I HN 0.147 nan 8.210 nan 0.000 0.425 350 R N 0.421 120.919 120.500 -0.005 0.000 2.081 350 R HA -0.208 4.133 4.340 0.003 0.000 0.235 350 R C 2.304 178.602 176.300 -0.004 0.000 1.131 350 R CA 1.338 57.436 56.100 -0.004 0.000 0.960 350 R CB -0.317 29.981 30.300 -0.003 0.000 0.856 350 R HN 0.440 nan 8.270 nan 0.000 0.436 351 Q N 0.909 120.706 119.800 -0.004 0.000 2.167 351 Q HA -0.183 4.159 4.340 0.003 0.000 0.202 351 Q C 1.679 177.677 176.000 -0.004 0.000 0.970 351 Q CA 1.280 57.081 55.803 -0.003 0.000 0.855 351 Q CB 0.179 28.915 28.738 -0.003 0.000 0.911 351 Q HN 0.403 nan 8.270 nan 0.000 0.438 352 Q N -0.181 119.616 119.800 -0.005 0.000 2.439 352 Q HA -0.112 4.230 4.340 0.003 0.000 0.211 352 Q C 1.572 177.569 176.000 -0.004 0.000 0.978 352 Q CA 0.734 56.534 55.803 -0.006 0.000 0.897 352 Q CB 0.075 28.808 28.738 -0.009 0.000 0.956 352 Q HN 0.514 nan 8.270 nan 0.000 0.483 353 I N 0.418 120.986 120.570 -0.003 0.000 3.030 353 I HA -0.170 4.001 4.170 0.003 0.000 0.270 353 I C 2.303 178.420 176.117 0.000 0.000 1.211 353 I CA 0.591 61.890 61.300 -0.002 0.000 1.479 353 I CB -0.268 37.731 38.000 -0.003 0.000 1.105 353 I HN 0.259 nan 8.210 nan 0.000 0.447 354 E N 1.712 121.912 120.200 -0.000 0.000 2.204 354 E HA -0.270 4.082 4.350 0.003 0.000 0.195 354 E C 1.586 178.187 176.600 0.001 0.000 0.990 354 E CA 1.326 57.726 56.400 0.000 0.000 0.821 354 E CB -0.166 29.534 29.700 -0.001 0.000 0.750 354 E HN 0.425 nan 8.360 nan 0.000 0.477 355 E N 0.610 120.811 120.200 0.002 0.000 2.110 355 E HA -0.113 4.239 4.350 0.003 0.000 0.193 355 E C 1.518 178.121 176.600 0.005 0.000 0.988 355 E CA 1.754 58.156 56.400 0.003 0.000 0.804 355 E CB -0.209 29.493 29.700 0.003 0.000 0.745 355 E HN 0.499 nan 8.360 nan 0.000 0.458 356 A N -1.149 121.675 122.820 0.006 0.000 4.219 356 A HA -0.347 3.974 4.320 0.003 0.000 0.252 356 A C 1.818 179.409 177.584 0.012 0.000 0.737 356 A CA 2.102 54.143 52.037 0.008 0.000 1.245 356 A CB -2.615 16.388 19.000 0.006 0.000 1.105 356 A HN 0.339 nan 8.150 nan 0.000 0.713 357 T N -0.464 114.098 114.554 0.012 0.000 3.139 357 T HA 0.292 4.643 4.350 0.003 0.000 0.267 357 T C 0.723 175.435 174.700 0.021 0.000 1.164 357 T CA 1.523 63.632 62.100 0.014 0.000 1.075 357 T CB -0.266 68.609 68.868 0.011 0.000 0.904 357 T HN 1.276 nan 8.240 nan 0.000 0.540 358 S N -0.497 115.220 115.700 0.028 0.000 2.541 358 S HA 0.360 4.832 4.470 0.003 0.000 0.280 358 S C -0.337 174.295 174.600 0.053 0.000 1.112 358 S CA -0.817 57.409 58.200 0.043 0.000 0.925 358 S CB 1.852 65.082 63.200 0.049 0.000 1.067 358 S HN 0.077 nan 8.310 nan 0.000 0.479 359 D N 1.556 122.000 120.400 0.073 0.000 2.197 359 D HA 0.066 4.708 4.640 0.003 0.000 0.212 359 D C 1.131 177.490 176.300 0.099 0.000 0.963 359 D CA 0.731 54.776 54.000 0.074 0.000 0.864 359 D CB -0.106 40.742 40.800 0.079 0.000 1.009 359 D HN 0.641 nan 8.370 nan 0.000 0.479 360 Y N 1.793 122.100 120.300 0.011 0.000 2.242 360 Y HA -0.176 4.376 4.550 0.003 0.000 0.291 360 Y C 1.588 177.496 175.900 0.013 0.000 1.137 360 Y CA 1.347 59.456 58.100 0.015 0.000 1.181 360 Y CB 0.077 38.548 38.460 0.019 0.000 0.989 360 Y HN -0.059 nan 8.280 nan 0.000 0.527 361 D N -0.434 120.056 120.400 0.150 0.000 2.117 361 D HA -0.179 4.463 4.640 0.003 0.000 0.197 361 D C 2.187 178.490 176.300 0.004 0.000 0.987 361 D CA 1.152 55.191 54.000 0.065 0.000 0.829 361 D CB -0.263 40.576 40.800 0.065 0.000 0.961 361 D HN 0.369 nan 8.370 nan 0.000 0.460 362 R N 0.773 121.277 120.500 0.006 0.000 2.091 362 R HA -0.137 4.204 4.340 0.003 0.000 0.238 362 R C 2.272 178.546 176.300 -0.043 0.000 1.136 362 R CA 1.064 57.157 56.100 -0.012 0.000 0.959 362 R CB -0.089 30.211 30.300 0.000 0.000 0.856 362 R HN 0.289 nan 8.270 nan 0.000 0.437 363 E N 0.595 120.745 120.200 -0.083 0.000 2.031 363 E HA -0.223 4.129 4.350 0.003 0.000 0.193 363 E C 1.521 178.042 176.600 -0.131 0.000 0.994 363 E CA 1.409 57.731 56.400 -0.129 0.000 0.800 363 E CB 0.182 29.747 29.700 -0.225 0.000 0.752 363 E HN -0.014 nan 8.360 nan 0.000 0.447 364 K N 0.344 120.649 120.400 -0.159 0.000 2.283 364 K HA -0.032 4.290 4.320 0.003 0.000 0.202 364 K C 1.933 178.501 176.600 -0.053 0.000 1.048 364 K CA 0.516 56.738 56.287 -0.108 0.000 0.948 364 K CB -0.142 32.298 32.500 -0.100 0.000 0.742 364 K HN 0.188 nan 8.250 nan 0.000 0.458 365 L N -0.060 121.138 121.223 -0.042 0.000 2.005 365 L HA -0.205 4.137 4.340 0.003 0.000 0.207 365 L C 2.465 179.320 176.870 -0.024 0.000 1.072 365 L CA 1.199 56.023 54.840 -0.026 0.000 0.744 365 L CB -0.363 41.686 42.059 -0.018 0.000 0.895 365 L HN 0.147 nan 8.230 nan 0.000 0.433 366 Q N 0.547 120.329 119.800 -0.030 0.000 2.124 366 Q HA -0.232 4.110 4.340 0.003 0.000 0.202 366 Q C 1.931 177.918 176.000 -0.022 0.000 0.977 366 Q CA 1.736 57.525 55.803 -0.024 0.000 0.850 366 Q CB -0.079 28.643 28.738 -0.027 0.000 0.901 366 Q HN 0.440 nan 8.270 nan 0.000 0.429 367 E N -0.399 119.783 120.200 -0.031 0.000 2.058 367 E HA -0.201 4.151 4.350 0.003 0.000 0.194 367 E C 2.181 178.779 176.600 -0.004 0.000 0.997 367 E CA 1.149 57.537 56.400 -0.019 0.000 0.801 367 E CB -0.110 29.572 29.700 -0.029 0.000 0.746 367 E HN 0.312 nan 8.360 nan 0.000 0.450 368 R N 0.333 120.828 120.500 -0.008 0.000 2.081 368 R HA -0.115 4.227 4.340 0.003 0.000 0.235 368 R C 2.456 178.758 176.300 0.002 0.000 1.131 368 R CA 1.064 57.163 56.100 -0.001 0.000 0.960 368 R CB -0.324 29.970 30.300 -0.010 0.000 0.856 368 R HN 0.049 nan 8.270 nan 0.000 0.436 369 V N 0.896 120.809 119.914 -0.003 0.000 2.295 369 V HA -0.269 3.852 4.120 0.003 0.000 0.246 369 V C 2.399 178.495 176.094 0.003 0.000 1.049 369 V CA 2.072 64.371 62.300 -0.001 0.000 1.024 369 V CB -0.672 31.149 31.823 -0.004 0.000 0.648 369 V HN 0.434 nan 8.190 nan 0.000 0.447 370 A N -0.644 122.178 122.820 0.003 0.000 1.898 370 A HA -0.149 4.173 4.320 0.003 0.000 0.216 370 A C 2.160 179.753 177.584 0.015 0.000 1.181 370 A CA 1.330 53.370 52.037 0.006 0.000 0.620 370 A CB -0.366 18.636 19.000 0.003 0.000 0.819 370 A HN 0.379 nan 8.150 nan 0.000 0.442 371 K N -0.779 119.635 120.400 0.023 0.000 2.515 371 K HA 0.026 4.347 4.320 0.003 0.000 0.196 371 K C 1.453 178.078 176.600 0.042 0.000 1.038 371 K CA 0.549 56.860 56.287 0.041 0.000 0.967 371 K CB -0.267 32.269 32.500 0.060 0.000 0.780 371 K HN 0.485 nan 8.250 nan 0.000 0.483 372 L N -0.292 120.947 121.223 0.028 0.000 2.416 372 L HA 0.222 4.564 4.340 0.003 0.000 0.188 372 L C 1.721 178.601 176.870 0.017 0.000 1.145 372 L CA 1.295 56.149 54.840 0.024 0.000 0.826 372 L CB -0.763 41.305 42.059 0.016 0.000 1.064 372 L HN -0.034 nan 8.230 nan 0.000 0.490 373 A N -0.696 122.131 122.820 0.011 0.000 2.238 373 A HA 0.241 4.563 4.320 0.003 0.000 0.208 373 A C 1.935 179.523 177.584 0.006 0.000 1.177 373 A CA 0.726 52.768 52.037 0.007 0.000 0.804 373 A CB -1.167 17.836 19.000 0.004 0.000 0.823 373 A HN 0.550 nan 8.150 nan 0.000 0.482 374 G N -0.693 108.112 108.800 0.008 0.000 2.551 374 G HA2 0.404 4.366 3.960 0.003 0.000 0.216 374 G HA3 0.404 4.366 3.960 0.003 0.000 0.216 374 G C 0.988 175.891 174.900 0.006 0.000 1.137 374 G CA 0.610 45.714 45.100 0.006 0.000 0.798 374 G HN 1.620 nan 8.290 nan 0.000 0.536 375 G N -1.683 107.122 108.800 0.008 0.000 2.781 375 G HA2 0.075 4.036 3.960 0.003 0.000 0.683 375 G HA3 0.075 4.036 3.960 0.003 0.000 0.683 375 G C -0.758 174.145 174.900 0.005 0.000 1.390 375 G CA -0.456 44.647 45.100 0.006 0.000 0.850 375 G HN 0.904 nan 8.290 nan 0.000 0.557 376 V N 0.569 120.485 119.914 0.003 0.000 2.604 376 V HA 0.830 4.952 4.120 0.003 0.000 0.305 376 V C 0.825 176.916 176.094 -0.004 0.000 1.043 376 V CA -0.105 62.195 62.300 -0.000 0.000 0.888 376 V CB 1.409 33.233 31.823 0.002 0.000 0.995 376 V HN 2.112 nan 8.190 nan 0.000 0.429 377 A N 3.916 126.731 122.820 -0.008 0.000 2.312 377 A HA 0.926 5.248 4.320 0.003 0.000 0.328 377 A C -0.424 177.152 177.584 -0.013 0.000 1.158 377 A CA -0.538 51.492 52.037 -0.011 0.000 0.821 377 A CB 1.531 20.523 19.000 -0.014 0.000 1.170 377 A HN 1.616 nan 8.150 nan 0.000 0.490 378 V N -0.010 119.896 119.914 -0.013 0.000 2.686 378 V HA 0.685 4.807 4.120 0.003 0.000 0.306 378 V C -0.776 175.310 176.094 -0.014 0.000 1.065 378 V CA -0.565 61.728 62.300 -0.013 0.000 0.894 378 V CB 1.296 33.113 31.823 -0.010 0.000 1.004 378 V HN 0.656 nan 8.190 nan 0.000 0.424 379 I N 4.015 124.576 120.570 -0.016 0.000 2.330 379 I HA 0.414 4.585 4.170 0.003 0.000 0.286 379 I C 0.249 176.358 176.117 -0.013 0.000 1.025 379 I CA -0.384 60.906 61.300 -0.017 0.000 1.197 379 I CB 1.226 39.212 38.000 -0.023 0.000 1.358 379 I HN 0.617 nan 8.210 nan 0.000 0.467 380 K N 5.711 126.104 120.400 -0.011 0.000 2.292 380 K HA 0.348 4.670 4.320 0.003 0.000 0.290 380 K C -0.657 175.938 176.600 -0.009 0.000 1.083 380 K CA -0.360 55.921 56.287 -0.009 0.000 0.918 380 K CB 1.132 33.627 32.500 -0.008 0.000 1.089 380 K HN 0.333 nan 8.250 nan 0.000 0.473 381 V N 2.992 122.901 119.914 -0.008 0.000 2.406 381 V HA 0.314 4.435 4.120 0.003 0.000 0.272 381 V C 0.727 176.817 176.094 -0.007 0.000 1.043 381 V CA -0.592 61.703 62.300 -0.008 0.000 0.915 381 V CB 1.204 33.022 31.823 -0.008 0.000 0.988 381 V HN 0.884 nan 8.190 nan 0.000 0.466 382 G N 3.052 111.848 108.800 -0.007 0.000 2.454 382 G HA2 0.903 4.865 3.960 0.003 0.000 0.329 382 G HA3 0.903 4.865 3.960 0.003 0.000 0.329 382 G C -0.641 174.255 174.900 -0.007 0.000 1.177 382 G CA 0.010 45.106 45.100 -0.007 0.000 0.951 382 G HN 1.190 nan 8.290 nan 0.000 0.485 383 A N -0.936 121.880 122.820 -0.006 0.000 2.438 383 A HA 0.774 5.096 4.320 0.003 0.000 0.301 383 A C 0.836 178.417 177.584 -0.006 0.000 1.101 383 A CA 0.494 52.527 52.037 -0.007 0.000 0.621 383 A CB 0.214 19.210 19.000 -0.007 0.000 1.350 383 A HN 1.899 nan 8.150 nan 0.000 0.496 384 A N -0.886 121.930 122.820 -0.006 0.000 1.970 384 A HA 0.453 4.774 4.320 0.003 0.000 0.216 384 A C 1.155 178.736 177.584 -0.005 0.000 1.170 384 A CA 2.291 54.324 52.037 -0.006 0.000 0.645 384 A CB -0.311 18.685 19.000 -0.006 0.000 0.816 384 A HN 1.791 nan 8.150 nan 0.000 0.447 385 T N -2.065 112.486 114.554 -0.005 0.000 2.912 385 T HA 0.322 4.673 4.350 0.003 0.000 0.299 385 T C 0.454 175.151 174.700 -0.005 0.000 1.052 385 T CA -0.364 61.733 62.100 -0.005 0.000 0.996 385 T CB 1.631 70.495 68.868 -0.006 0.000 1.070 385 T HN 0.333 nan 8.240 nan 0.000 0.465 386 E N 2.243 122.441 120.200 -0.004 0.000 2.171 386 E HA -0.117 4.235 4.350 0.003 0.000 0.197 386 E C 1.706 178.304 176.600 -0.003 0.000 0.997 386 E CA 1.363 57.762 56.400 -0.003 0.000 0.810 386 E CB 0.120 29.819 29.700 -0.001 0.000 0.738 386 E HN 0.558 nan 8.360 nan 0.000 0.467 387 V N 0.775 120.686 119.914 -0.004 0.000 2.379 387 V HA -0.211 3.911 4.120 0.003 0.000 0.245 387 V C 2.337 178.427 176.094 -0.005 0.000 1.044 387 V CA 2.059 64.356 62.300 -0.005 0.000 1.036 387 V CB -0.463 31.356 31.823 -0.007 0.000 0.664 387 V HN 0.318 nan 8.190 nan 0.000 0.453 388 E N -0.116 120.081 120.200 -0.006 0.000 2.107 388 E HA -0.224 4.127 4.350 0.003 0.000 0.191 388 E C 2.256 178.853 176.600 -0.005 0.000 0.982 388 E CA 1.201 57.598 56.400 -0.006 0.000 0.809 388 E CB -0.141 29.554 29.700 -0.007 0.000 0.756 388 E HN 0.477 nan 8.360 nan 0.000 0.459 389 M N 1.068 120.665 119.600 -0.005 0.000 2.080 389 M HA -0.194 4.288 4.480 0.003 0.000 0.260 389 M C 1.761 178.059 176.300 -0.002 0.000 1.068 389 M CA 1.766 57.064 55.300 -0.004 0.000 1.109 389 M CB -0.276 32.322 32.600 -0.004 0.000 1.342 389 M HN -0.050 nan 8.290 nan 0.000 0.405 390 K N -0.207 120.192 120.400 -0.001 0.000 2.217 390 K HA -0.136 4.186 4.320 0.003 0.000 0.202 390 K C 2.015 178.616 176.600 0.001 0.000 1.051 390 K CA 0.859 57.147 56.287 0.001 0.000 0.952 390 K CB -0.096 32.406 32.500 0.002 0.000 0.736 390 K HN 0.363 nan 8.250 nan 0.000 0.453 391 E N 1.708 121.908 120.200 -0.001 0.000 2.031 391 E HA -0.228 4.123 4.350 0.003 0.000 0.193 391 E C 1.855 178.454 176.600 -0.001 0.000 0.994 391 E CA 1.434 57.833 56.400 -0.001 0.000 0.800 391 E CB 0.088 29.786 29.700 -0.004 0.000 0.752 391 E HN 0.144 nan 8.360 nan 0.000 0.447 392 K N 0.775 121.174 120.400 -0.003 0.000 2.032 392 K HA -0.202 4.120 4.320 0.003 0.000 0.209 392 K C 2.385 178.983 176.600 -0.004 0.000 1.048 392 K CA 1.761 58.045 56.287 -0.005 0.000 0.927 392 K CB -0.139 32.356 32.500 -0.007 0.000 0.712 392 K HN -0.066 nan 8.250 nan 0.000 0.441 393 K N -0.055 120.344 120.400 -0.001 0.000 2.026 393 K HA -0.129 4.192 4.320 0.003 0.000 0.208 393 K C 1.991 178.596 176.600 0.007 0.000 1.048 393 K CA 1.260 57.547 56.287 0.001 0.000 0.929 393 K CB -0.190 32.312 32.500 0.003 0.000 0.713 393 K HN 0.244 nan 8.250 nan 0.000 0.439 394 A N 1.461 124.287 122.820 0.010 0.000 1.978 394 A HA -0.209 4.113 4.320 0.003 0.000 0.220 394 A C 2.088 179.684 177.584 0.019 0.000 1.170 394 A CA 1.663 53.711 52.037 0.018 0.000 0.636 394 A CB -0.508 18.501 19.000 0.015 0.000 0.810 394 A HN 0.395 nan 8.150 nan 0.000 0.448 395 R N -0.435 120.071 120.500 0.010 0.000 2.062 395 R HA -0.061 4.281 4.340 0.003 0.000 0.229 395 R C 1.903 178.203 176.300 -0.000 0.000 1.128 395 R CA 1.642 57.746 56.100 0.007 0.000 0.960 395 R CB -0.434 29.866 30.300 0.000 0.000 0.855 395 R HN 0.260 nan 8.270 nan 0.000 0.432 396 V N 1.673 121.581 119.914 -0.010 0.000 2.324 396 V HA -0.252 3.870 4.120 0.003 0.000 0.250 396 V C 1.917 177.988 176.094 -0.039 0.000 1.060 396 V CA 2.176 64.459 62.300 -0.029 0.000 1.042 396 V CB -0.565 31.241 31.823 -0.029 0.000 0.650 396 V HN 0.442 nan 8.190 nan 0.000 0.450 397 E N -0.391 119.809 120.200 0.001 0.000 2.333 397 E HA -0.222 4.130 4.350 0.003 0.000 0.198 397 E C 1.605 178.282 176.600 0.129 0.000 1.007 397 E CA 1.372 57.803 56.400 0.051 0.000 0.845 397 E CB -0.061 29.683 29.700 0.073 0.000 0.766 397 E HN 0.705 nan 8.360 nan 0.000 0.507 398 D N -0.566 119.888 120.400 0.091 0.000 2.490 398 D HA 0.080 4.721 4.640 0.003 0.000 0.244 398 D C 1.741 178.084 176.300 0.071 0.000 0.979 398 D CA 0.758 54.851 54.000 0.154 0.000 0.924 398 D CB 0.088 40.944 40.800 0.094 0.000 1.075 398 D HN 0.097 nan 8.370 nan 0.000 0.488 399 A N 0.751 123.568 122.820 -0.005 0.000 2.019 399 A HA -0.087 4.234 4.320 0.003 0.000 0.219 399 A C 2.041 179.572 177.584 -0.089 0.000 1.164 399 A CA 0.708 52.727 52.037 -0.030 0.000 0.644 399 A CB -0.744 18.240 19.000 -0.027 0.000 0.805 399 A HN 0.309 nan 8.150 nan 0.000 0.449 400 L N -0.887 120.218 121.223 -0.197 0.000 1.989 400 L HA -0.233 4.108 4.340 0.003 0.000 0.211 400 L C 2.652 179.336 176.870 -0.311 0.000 1.071 400 L CA 1.918 56.578 54.840 -0.300 0.000 0.749 400 L CB -0.495 41.300 42.059 -0.440 0.000 0.890 400 L HN 0.533 nan 8.230 nan 0.000 0.431 401 H N -0.381 118.687 119.070 -0.003 0.000 2.357 401 H HA -0.039 4.519 4.556 0.003 0.000 0.301 401 H C 2.259 177.587 175.328 -0.001 0.000 1.082 401 H CA 1.209 57.256 56.048 -0.003 0.000 1.342 401 H CB -0.458 29.303 29.762 -0.001 0.000 1.389 401 H HN 0.527 nan 8.280 nan 0.000 0.511 402 A N 0.997 123.865 122.820 0.080 0.000 1.908 402 A HA -0.185 4.136 4.320 0.003 0.000 0.218 402 A C 2.617 180.210 177.584 0.014 0.000 1.181 402 A CA 2.231 54.295 52.037 0.045 0.000 0.627 402 A CB -0.972 18.048 19.000 0.033 0.000 0.818 402 A HN 0.410 nan 8.150 nan 0.000 0.445 403 T N -0.361 114.186 114.554 -0.010 0.000 2.643 403 T HA -0.155 4.197 4.350 0.003 0.000 0.264 403 T C 2.057 176.751 174.700 -0.010 0.000 1.045 403 T CA 1.543 63.632 62.100 -0.019 0.000 1.155 403 T CB -0.265 68.581 68.868 -0.037 0.000 0.863 403 T HN 0.486 nan 8.240 nan 0.000 0.420 404 R N 0.722 121.216 120.500 -0.009 0.000 2.152 404 R HA 0.039 4.381 4.340 0.003 0.000 0.232 404 R C 2.712 179.023 176.300 0.018 0.000 1.117 404 R CA 1.048 57.151 56.100 0.005 0.000 0.981 404 R CB -0.387 29.919 30.300 0.011 0.000 0.870 404 R HN 0.378 nan 8.270 nan 0.000 0.451 405 A N 1.124 123.961 122.820 0.028 0.000 1.873 405 A HA -0.065 4.257 4.320 0.003 0.000 0.215 405 A C 2.363 179.954 177.584 0.011 0.000 1.186 405 A CA 1.479 53.531 52.037 0.025 0.000 0.616 405 A CB -0.563 18.460 19.000 0.038 0.000 0.823 405 A HN 0.361 nan 8.150 nan 0.000 0.442 406 A N -0.425 122.398 122.820 0.006 0.000 1.940 406 A HA -0.057 4.264 4.320 0.003 0.000 0.219 406 A C 2.116 179.699 177.584 -0.003 0.000 1.176 406 A CA 1.767 53.803 52.037 -0.002 0.000 0.631 406 A CB -1.060 17.937 19.000 -0.005 0.000 0.814 406 A HN 0.461 nan 8.150 nan 0.000 0.446 407 V N 0.458 120.371 119.914 -0.002 0.000 2.660 407 V HA -0.293 3.828 4.120 0.003 0.000 0.257 407 V C 2.202 178.296 176.094 -0.000 0.000 1.088 407 V CA 2.223 64.522 62.300 -0.002 0.000 1.106 407 V CB -0.933 30.889 31.823 -0.002 0.000 0.686 407 V HN 0.659 nan 8.190 nan 0.000 0.481 408 E N -0.505 119.696 120.200 0.002 0.000 2.274 408 E HA -0.140 4.212 4.350 0.003 0.000 0.194 408 E C 1.667 178.267 176.600 -0.001 0.000 0.996 408 E CA 1.080 57.482 56.400 0.002 0.000 0.840 408 E CB 0.080 29.783 29.700 0.004 0.000 0.772 408 E HN 0.705 nan 8.360 nan 0.000 0.491 409 E N -1.229 118.969 120.200 -0.004 0.000 2.653 409 E HA 0.202 4.553 4.350 0.003 0.000 0.218 409 E C 0.403 177.000 176.600 -0.006 0.000 0.911 409 E CA 0.170 56.566 56.400 -0.006 0.000 1.355 409 E CB 1.773 31.466 29.700 -0.011 0.000 1.314 409 E HN 0.184 nan 8.360 nan 0.000 0.686 410 G N 1.190 109.987 108.800 -0.006 0.000 2.428 410 G HA2 -0.154 3.808 3.960 0.003 0.000 0.202 410 G HA3 -0.154 3.808 3.960 0.003 0.000 0.202 410 G C -0.725 174.171 174.900 -0.007 0.000 1.247 410 G CA -0.530 44.567 45.100 -0.006 0.000 1.020 410 G HN 0.493 nan 8.290 nan 0.000 0.529 411 V N -1.681 118.229 119.914 -0.006 0.000 2.715 411 V HA 0.924 5.045 4.120 0.003 0.000 0.310 411 V C 0.849 176.940 176.094 -0.005 0.000 1.054 411 V CA -0.027 62.269 62.300 -0.007 0.000 0.928 411 V CB 1.058 32.876 31.823 -0.008 0.000 1.007 411 V HN 2.240 nan 8.190 nan 0.000 0.437 412 V N 0.978 120.889 119.914 -0.005 0.000 3.096 412 V HA 0.945 5.067 4.120 0.003 0.000 0.319 412 V C 0.818 176.913 176.094 0.002 0.000 1.082 412 V CA -0.476 61.824 62.300 -0.001 0.000 1.022 412 V CB 1.224 33.046 31.823 -0.001 0.000 1.103 412 V HN 1.873 nan 8.190 nan 0.000 0.455 413 A N 1.566 124.391 122.820 0.008 0.000 2.526 413 A HA 0.542 4.864 4.320 0.003 0.000 0.267 413 A C 0.835 178.425 177.584 0.010 0.000 1.095 413 A CA 0.621 52.665 52.037 0.013 0.000 0.775 413 A CB -1.156 17.858 19.000 0.024 0.000 1.036 413 A HN 1.759 nan 8.150 nan 0.000 0.510 414 G N 1.030 109.831 108.800 0.003 0.000 2.531 414 G HA2 0.537 4.499 3.960 0.003 0.000 0.281 414 G HA3 0.537 4.499 3.960 0.003 0.000 0.281 414 G C 1.136 176.037 174.900 0.002 0.000 1.382 414 G CA -0.140 44.959 45.100 -0.001 0.000 1.045 414 G HN 2.145 nan 8.290 nan 0.000 0.533 415 G N -2.094 106.706 108.800 -0.001 0.000 2.187 415 G HA2 0.189 4.151 3.960 0.003 0.000 0.261 415 G HA3 0.189 4.151 3.960 0.003 0.000 0.261 415 G C 1.520 176.429 174.900 0.015 0.000 1.000 415 G CA 1.293 46.397 45.100 0.007 0.000 0.718 415 G HN 2.511 nan 8.290 nan 0.000 0.519 416 G N -2.521 106.286 108.800 0.012 0.000 2.184 416 G HA2 -0.180 3.782 3.960 0.003 0.000 0.264 416 G HA3 -0.180 3.782 3.960 0.003 0.000 0.264 416 G C 1.447 176.360 174.900 0.022 0.000 0.975 416 G CA 1.437 46.545 45.100 0.014 0.000 0.642 416 G HN 1.666 nan 8.290 nan 0.000 0.536 417 V N 0.559 120.490 119.914 0.028 0.000 2.515 417 V HA 0.126 4.248 4.120 0.003 0.000 0.250 417 V C 3.030 179.147 176.094 0.037 0.000 1.058 417 V CA 2.824 65.149 62.300 0.041 0.000 1.064 417 V CB -0.557 31.298 31.823 0.055 0.000 0.675 417 V HN 1.118 nan 8.190 nan 0.000 0.461 418 A N -0.294 122.543 122.820 0.027 0.000 1.883 418 A HA -0.235 4.087 4.320 0.003 0.000 0.217 418 A C 2.131 179.726 177.584 0.018 0.000 1.186 418 A CA 2.304 54.354 52.037 0.022 0.000 0.624 418 A CB -0.746 18.262 19.000 0.013 0.000 0.822 418 A HN 0.526 nan 8.150 nan 0.000 0.444 419 L N -0.059 121.173 121.223 0.014 0.000 2.083 419 L HA -0.117 4.225 4.340 0.003 0.000 0.209 419 L C 2.275 179.155 176.870 0.017 0.000 1.083 419 L CA 1.631 56.478 54.840 0.012 0.000 0.752 419 L CB -0.349 41.714 42.059 0.007 0.000 0.899 419 L HN 0.463 nan 8.230 nan 0.000 0.433 420 I N -1.068 119.516 120.570 0.024 0.000 2.264 420 I HA -0.291 3.880 4.170 0.003 0.000 0.248 420 I C 2.399 178.533 176.117 0.029 0.000 1.111 420 I CA 0.657 61.974 61.300 0.029 0.000 1.382 420 I CB -0.440 37.583 38.000 0.039 0.000 1.060 420 I HN 0.253 nan 8.210 nan 0.000 0.418 421 R N 0.679 121.197 120.500 0.030 0.000 2.073 421 R HA -0.118 4.224 4.340 0.003 0.000 0.234 421 R C 2.401 178.712 176.300 0.019 0.000 1.134 421 R CA 1.663 57.780 56.100 0.027 0.000 0.952 421 R CB -1.592 28.726 30.300 0.029 0.000 0.850 421 R HN 0.465 nan 8.270 nan 0.000 0.433 422 V N -0.146 119.777 119.914 0.016 0.000 2.407 422 V HA -0.112 4.010 4.120 0.003 0.000 0.248 422 V C 2.200 178.301 176.094 0.011 0.000 1.055 422 V CA 2.000 64.307 62.300 0.011 0.000 1.049 422 V CB -0.902 30.925 31.823 0.008 0.000 0.662 422 V HN 0.212 nan 8.190 nan 0.000 0.455 423 A N 1.526 124.354 122.820 0.013 0.000 1.877 423 A HA -0.173 4.149 4.320 0.003 0.000 0.216 423 A C 2.646 180.237 177.584 0.012 0.000 1.186 423 A CA 2.759 54.804 52.037 0.012 0.000 0.620 423 A CB -1.227 17.781 19.000 0.014 0.000 0.822 423 A HN 1.099 nan 8.150 nan 0.000 0.443 424 S N -0.301 115.407 115.700 0.014 0.000 2.419 424 S HA -0.144 4.328 4.470 0.003 0.000 0.233 424 S C 1.759 176.364 174.600 0.009 0.000 1.016 424 S CA 1.514 59.721 58.200 0.012 0.000 0.974 424 S CB -0.257 62.952 63.200 0.015 0.000 0.786 424 S HN 0.626 nan 8.310 nan 0.000 0.492 425 K N 0.815 121.220 120.400 0.009 0.000 2.098 425 K HA 0.287 4.608 4.320 0.003 0.000 0.203 425 K C 1.434 178.037 176.600 0.006 0.000 1.051 425 K CA 0.739 57.030 56.287 0.007 0.000 0.957 425 K CB -0.253 32.252 32.500 0.007 0.000 0.738 425 K HN 0.328 nan 8.250 nan 0.000 0.447 426 L N 1.309 122.535 121.223 0.007 0.000 2.660 426 L HA 0.095 4.437 4.340 0.003 0.000 0.238 426 L C 1.864 178.738 176.870 0.006 0.000 1.161 426 L CA -0.367 54.476 54.840 0.006 0.000 0.937 426 L CB -0.364 41.699 42.059 0.006 0.000 1.122 426 L HN 0.173 nan 8.230 nan 0.000 0.435 427 A N 0.364 123.187 122.820 0.005 0.000 1.978 427 A HA -0.245 4.077 4.320 0.003 0.000 0.220 427 A C 1.774 179.360 177.584 0.004 0.000 1.170 427 A CA 2.157 54.197 52.037 0.005 0.000 0.636 427 A CB -0.314 18.688 19.000 0.004 0.000 0.810 427 A HN 0.428 nan 8.150 nan 0.000 0.448 428 D N -1.209 119.193 120.400 0.004 0.000 2.234 428 D HA 0.075 4.717 4.640 0.003 0.000 0.205 428 D C 0.606 176.908 176.300 0.004 0.000 0.962 428 D CA 0.099 54.100 54.000 0.003 0.000 0.855 428 D CB -0.143 40.659 40.800 0.003 0.000 0.951 428 D HN 0.367 nan 8.370 nan 0.000 0.500 429 L N 1.772 122.997 121.223 0.004 0.000 2.559 429 L HA 0.080 4.422 4.340 0.003 0.000 0.274 429 L C -0.090 176.783 176.870 0.005 0.000 1.205 429 L CA 0.482 55.324 54.840 0.005 0.000 0.907 429 L CB 0.146 42.208 42.059 0.005 0.000 1.153 429 L HN -0.162 nan 8.230 nan 0.000 0.490 430 R N 3.390 123.893 120.500 0.005 0.000 2.873 430 R HA 0.718 5.059 4.340 0.003 0.000 0.264 430 R C 0.123 176.426 176.300 0.005 0.000 1.026 430 R CA -0.332 55.771 56.100 0.005 0.000 1.002 430 R CB 1.232 31.535 30.300 0.004 0.000 1.174 430 R HN 0.783 nan 8.270 nan 0.000 0.488 431 G N -0.296 108.507 108.800 0.006 0.000 2.890 431 G HA2 0.150 4.112 3.960 0.003 0.000 0.189 431 G HA3 0.150 4.112 3.960 0.003 0.000 0.189 431 G C 0.148 175.052 174.900 0.006 0.000 1.342 431 G CA -0.221 44.883 45.100 0.006 0.000 1.026 431 G HN 0.431 nan 8.290 nan 0.000 0.579 432 Q N -0.124 119.680 119.800 0.006 0.000 2.297 432 Q HA 0.067 4.408 4.340 0.003 0.000 0.204 432 Q C 0.162 176.165 176.000 0.005 0.000 0.962 432 Q CA 0.950 56.756 55.803 0.005 0.000 0.879 432 Q CB 0.042 28.784 28.738 0.006 0.000 0.947 432 Q HN 0.596 nan 8.270 nan 0.000 0.462 433 N N -2.100 116.604 118.700 0.005 0.000 3.116 433 N HA -0.012 4.729 4.740 0.003 0.000 0.244 433 N C -0.189 175.325 175.510 0.005 0.000 1.485 433 N CA -0.449 52.604 53.050 0.005 0.000 0.884 433 N CB 0.712 39.203 38.487 0.005 0.000 1.415 433 N HN -0.254 nan 8.380 nan 0.000 0.524 434 E N 0.031 120.235 120.200 0.005 0.000 2.204 434 E HA -0.086 4.265 4.350 0.003 0.000 0.195 434 E C 0.163 176.767 176.600 0.006 0.000 0.990 434 E CA 1.644 58.047 56.400 0.005 0.000 0.821 434 E CB -0.327 29.376 29.700 0.005 0.000 0.750 434 E HN 0.652 nan 8.360 nan 0.000 0.477 435 D N -0.174 120.230 120.400 0.007 0.000 2.149 435 D HA -0.178 4.464 4.640 0.003 0.000 0.198 435 D C 1.790 178.095 176.300 0.008 0.000 0.990 435 D CA 1.228 55.233 54.000 0.007 0.000 0.839 435 D CB -0.077 40.728 40.800 0.008 0.000 0.948 435 D HN 0.302 nan 8.370 nan 0.000 0.460 436 Q N -0.147 119.658 119.800 0.008 0.000 2.187 436 Q HA -0.044 4.297 4.340 0.003 0.000 0.199 436 Q C 1.607 177.612 176.000 0.008 0.000 0.957 436 Q CA 0.594 56.402 55.803 0.008 0.000 0.857 436 Q CB 0.080 28.823 28.738 0.008 0.000 0.929 436 Q HN 0.279 nan 8.270 nan 0.000 0.453 437 N N 0.273 118.977 118.700 0.007 0.000 2.084 437 N HA -0.129 4.612 4.740 0.003 0.000 0.190 437 N C 1.874 177.388 175.510 0.007 0.000 1.030 437 N CA 1.115 54.169 53.050 0.006 0.000 0.849 437 N CB -0.485 38.006 38.487 0.006 0.000 1.012 437 N HN 0.033 nan 8.380 nan 0.000 0.423 438 V N 1.005 120.923 119.914 0.007 0.000 2.407 438 V HA -0.155 3.967 4.120 0.003 0.000 0.248 438 V C 2.414 178.513 176.094 0.009 0.000 1.055 438 V CA 1.962 64.267 62.300 0.007 0.000 1.049 438 V CB -1.293 30.534 31.823 0.007 0.000 0.662 438 V HN 0.367 nan 8.190 nan 0.000 0.455 439 G N 0.090 108.895 108.800 0.009 0.000 2.421 439 G HA2 -0.235 3.726 3.960 0.003 0.000 0.216 439 G HA3 -0.235 3.726 3.960 0.003 0.000 0.216 439 G C 1.568 176.474 174.900 0.010 0.000 1.171 439 G CA 1.127 46.233 45.100 0.010 0.000 0.775 439 G HN 0.484 nan 8.290 nan 0.000 0.543 440 I N 0.313 120.888 120.570 0.009 0.000 2.118 440 I HA -0.163 4.009 4.170 0.003 0.000 0.241 440 I C 2.301 178.423 176.117 0.009 0.000 1.070 440 I CA 1.245 62.550 61.300 0.009 0.000 1.327 440 I CB -0.078 37.927 38.000 0.008 0.000 1.034 440 I HN -0.011 nan 8.210 nan 0.000 0.405 441 K N 0.238 120.643 120.400 0.008 0.000 2.589 441 K HA 0.022 4.344 4.320 0.003 0.000 0.192 441 K C 1.413 178.018 176.600 0.009 0.000 1.029 441 K CA 0.353 56.645 56.287 0.008 0.000 1.031 441 K CB -0.247 32.257 32.500 0.007 0.000 0.821 441 K HN 0.192 nan 8.250 nan 0.000 0.502 442 V N -0.549 119.370 119.914 0.010 0.000 2.436 442 V HA -0.018 4.104 4.120 0.003 0.000 0.240 442 V C 2.042 178.143 176.094 0.012 0.000 1.040 442 V CA 1.461 63.767 62.300 0.011 0.000 1.052 442 V CB -0.275 31.555 31.823 0.012 0.000 0.707 442 V HN 0.279 nan 8.190 nan 0.000 0.469 443 A N 0.335 123.162 122.820 0.012 0.000 1.865 443 A HA -0.176 4.145 4.320 0.003 0.000 0.217 443 A C 2.168 179.758 177.584 0.011 0.000 1.191 443 A CA 1.929 53.974 52.037 0.012 0.000 0.623 443 A CB -0.686 18.320 19.000 0.011 0.000 0.826 443 A HN 0.483 nan 8.150 nan 0.000 0.444 444 L N -1.315 119.914 121.223 0.010 0.000 2.079 444 L HA -0.183 4.159 4.340 0.003 0.000 0.210 444 L C 2.767 179.643 176.870 0.011 0.000 1.081 444 L CA 1.597 56.443 54.840 0.010 0.000 0.752 444 L CB -0.564 41.501 42.059 0.009 0.000 0.896 444 L HN 0.406 nan 8.230 nan 0.000 0.433 445 R N 0.251 120.757 120.500 0.011 0.000 2.159 445 R HA -0.156 4.186 4.340 0.003 0.000 0.237 445 R C 2.090 178.397 176.300 0.012 0.000 1.131 445 R CA 1.308 57.414 56.100 0.011 0.000 0.982 445 R CB -0.114 30.192 30.300 0.010 0.000 0.868 445 R HN 0.383 nan 8.270 nan 0.000 0.453 446 A N -0.389 122.439 122.820 0.012 0.000 2.178 446 A HA 0.039 4.361 4.320 0.003 0.000 0.211 446 A C 1.786 179.378 177.584 0.013 0.000 1.157 446 A CA 0.173 52.218 52.037 0.013 0.000 0.780 446 A CB -0.041 18.968 19.000 0.014 0.000 0.828 446 A HN 0.229 nan 8.150 nan 0.000 0.476 447 M N -0.520 119.088 119.600 0.013 0.000 2.476 447 M HA -0.063 4.419 4.480 0.003 0.000 0.262 447 M C 1.238 177.548 176.300 0.017 0.000 1.079 447 M CA 0.940 56.248 55.300 0.013 0.000 1.104 447 M CB -0.181 32.426 32.600 0.013 0.000 1.409 447 M HN 0.434 nan 8.290 nan 0.000 0.467 448 E N 0.376 120.587 120.200 0.018 0.000 2.481 448 E HA 0.019 4.371 4.350 0.003 0.000 0.195 448 E C 1.965 178.576 176.600 0.019 0.000 1.047 448 E CA 0.324 56.737 56.400 0.021 0.000 0.867 448 E CB 0.090 29.802 29.700 0.021 0.000 0.858 448 E HN 0.464 nan 8.360 nan 0.000 0.513 449 A N 2.298 125.128 122.820 0.017 0.000 1.902 449 A HA -0.106 4.216 4.320 0.003 0.000 0.217 449 A C -0.370 177.224 177.584 0.017 0.000 1.181 449 A CA 1.023 53.070 52.037 0.016 0.000 0.623 449 A CB -1.256 17.753 19.000 0.015 0.000 0.818 449 A HN 0.129 nan 8.150 nan 0.000 0.443 450 P HA -0.185 nan 4.420 nan 0.000 0.214 450 P C 1.843 179.155 177.300 0.020 0.000 1.163 450 P CA 0.945 64.055 63.100 0.016 0.000 0.889 450 P CB -0.151 31.557 31.700 0.013 0.000 0.790 451 L N -0.057 121.181 121.223 0.025 0.000 1.970 451 L HA -0.175 4.167 4.340 0.003 0.000 0.212 451 L C 2.219 179.106 176.870 0.028 0.000 1.071 451 L CA 2.189 57.049 54.840 0.032 0.000 0.751 451 L CB -1.106 40.977 42.059 0.039 0.000 0.889 451 L HN -0.056 nan 8.230 nan 0.000 0.432 452 R N -0.787 119.726 120.500 0.022 0.000 2.096 452 R HA -0.160 4.182 4.340 0.003 0.000 0.235 452 R C 2.152 178.462 176.300 0.016 0.000 1.127 452 R CA 1.338 57.448 56.100 0.017 0.000 0.968 452 R CB -0.129 30.179 30.300 0.014 0.000 0.861 452 R HN 0.544 nan 8.270 nan 0.000 0.440 453 Q N 0.289 120.098 119.800 0.016 0.000 2.245 453 Q HA -0.029 4.313 4.340 0.003 0.000 0.201 453 Q C 2.161 178.171 176.000 0.016 0.000 0.955 453 Q CA 1.007 56.819 55.803 0.015 0.000 0.870 453 Q CB 0.033 28.779 28.738 0.014 0.000 0.945 453 Q HN 0.428 nan 8.270 nan 0.000 0.461 454 I N -0.007 120.574 120.570 0.019 0.000 2.202 454 I HA -0.224 3.948 4.170 0.003 0.000 0.242 454 I C 2.158 178.292 176.117 0.028 0.000 1.091 454 I CA 0.848 62.160 61.300 0.020 0.000 1.368 454 I CB -0.203 37.810 38.000 0.021 0.000 1.058 454 I HN -0.049 nan 8.210 nan 0.000 0.410 455 V N 0.648 120.583 119.914 0.034 0.000 2.626 455 V HA -0.235 3.887 4.120 0.003 0.000 0.252 455 V C 2.317 178.424 176.094 0.023 0.000 1.067 455 V CA 1.204 63.526 62.300 0.037 0.000 1.081 455 V CB -0.445 31.392 31.823 0.023 0.000 0.686 455 V HN 0.352 nan 8.190 nan 0.000 0.468 456 L N 0.754 121.987 121.223 0.016 0.000 2.046 456 L HA -0.147 4.195 4.340 0.003 0.000 0.208 456 L C 2.206 179.084 176.870 0.013 0.000 1.077 456 L CA 1.948 56.796 54.840 0.013 0.000 0.747 456 L CB -0.910 41.156 42.059 0.011 0.000 0.896 456 L HN 0.310 nan 8.230 nan 0.000 0.432 457 N N -1.000 117.709 118.700 0.014 0.000 2.223 457 N HA -0.186 4.556 4.740 0.003 0.000 0.185 457 N C 1.793 177.311 175.510 0.013 0.000 1.016 457 N CA 1.693 54.749 53.050 0.011 0.000 0.863 457 N CB -0.332 38.161 38.487 0.009 0.000 0.983 457 N HN 0.464 nan 8.380 nan 0.000 0.429 458 C N -0.486 118.827 119.300 0.021 0.000 2.435 458 C HA 0.066 4.528 4.460 0.003 0.000 0.279 458 C C 1.940 176.945 174.990 0.025 0.000 1.321 458 C CA 0.870 59.905 59.018 0.027 0.000 1.752 458 C CB -0.946 26.826 27.740 0.053 0.000 1.959 458 C HN 0.678 nan 8.230 nan 0.000 0.500 459 G N 0.185 108.998 108.800 0.021 0.000 2.175 459 G HA2 -0.191 3.770 3.960 0.003 0.000 0.244 459 G HA3 -0.191 3.770 3.960 0.003 0.000 0.244 459 G C -0.224 174.687 174.900 0.018 0.000 0.982 459 G CA 0.348 45.458 45.100 0.017 0.000 0.641 459 G HN 0.517 nan 8.290 nan 0.000 0.527 460 E N 1.007 121.220 120.200 0.022 0.000 2.345 460 E HA 0.492 4.843 4.350 0.003 0.000 0.259 460 E C 0.477 177.075 176.600 -0.005 0.000 1.117 460 E CA -0.468 55.938 56.400 0.011 0.000 0.913 460 E CB 0.408 30.116 29.700 0.014 0.000 1.057 460 E HN 0.243 nan 8.360 nan 0.000 0.432 461 E N 2.620 122.811 120.200 -0.014 0.000 2.271 461 E HA -0.018 4.333 4.350 0.003 0.000 0.255 461 E C -1.729 174.856 176.600 -0.025 0.000 1.177 461 E CA -1.117 55.275 56.400 -0.014 0.000 0.946 461 E CB 0.367 30.060 29.700 -0.011 0.000 1.009 461 E HN 0.298 nan 8.360 nan 0.000 0.451 462 P HA -0.166 nan 4.420 nan 0.000 0.217 462 P C 1.510 178.805 177.300 -0.010 0.000 1.151 462 P CA 1.025 64.118 63.100 -0.013 0.000 0.828 462 P CB 0.182 31.882 31.700 -0.000 0.000 0.788 463 S N -0.159 115.538 115.700 -0.005 0.000 2.414 463 S HA -0.229 4.242 4.470 0.003 0.000 0.238 463 S C 2.016 176.613 174.600 -0.005 0.000 1.055 463 S CA 2.232 60.430 58.200 -0.003 0.000 1.174 463 S CB -1.968 61.231 63.200 -0.003 0.000 1.087 463 S HN -0.017 nan 8.310 nan 0.000 0.428 464 V N 1.741 121.648 119.914 -0.011 0.000 2.307 464 V HA -0.109 4.013 4.120 0.003 0.000 0.245 464 V C 2.686 178.776 176.094 -0.008 0.000 1.045 464 V CA 1.640 63.934 62.300 -0.011 0.000 1.024 464 V CB -0.845 30.971 31.823 -0.011 0.000 0.651 464 V HN 0.477 nan 8.190 nan 0.000 0.449 465 V N 0.363 120.251 119.914 -0.044 0.000 2.427 465 V HA -0.214 3.908 4.120 0.003 0.000 0.248 465 V C 2.698 178.802 176.094 0.016 0.000 1.051 465 V CA 1.852 64.106 62.300 -0.075 0.000 1.048 465 V CB -1.131 30.526 31.823 -0.276 0.000 0.666 465 V HN 0.544 nan 8.190 nan 0.000 0.456 466 A N 0.470 123.298 122.820 0.013 0.000 1.877 466 A HA -0.216 4.105 4.320 0.003 0.000 0.216 466 A C 2.080 179.693 177.584 0.049 0.000 1.186 466 A CA 1.995 54.054 52.037 0.037 0.000 0.620 466 A CB -0.594 18.420 19.000 0.023 0.000 0.822 466 A HN 0.603 nan 8.150 nan 0.000 0.443 467 N N -0.394 118.325 118.700 0.031 0.000 2.354 467 N HA -0.104 4.637 4.740 0.003 0.000 0.179 467 N C 1.881 177.404 175.510 0.021 0.000 1.021 467 N CA 1.770 54.833 53.050 0.021 0.000 0.887 467 N CB -0.342 38.148 38.487 0.004 0.000 0.974 467 N HN 0.740 nan 8.380 nan 0.000 0.437 468 T N -1.125 113.448 114.554 0.031 0.000 2.770 468 T HA -0.021 4.331 4.350 0.003 0.000 0.263 468 T C 2.204 177.007 174.700 0.171 0.000 1.039 468 T CA 0.761 62.868 62.100 0.013 0.000 1.142 468 T CB -0.776 68.029 68.868 -0.105 0.000 0.868 468 T HN -0.147 nan 8.240 nan 0.000 0.435 469 V N 2.048 122.123 119.914 0.269 0.000 2.392 469 V HA -0.168 3.953 4.120 0.003 0.000 0.249 469 V C 2.753 178.997 176.094 0.250 0.000 1.059 469 V CA 1.858 64.367 62.300 0.347 0.000 1.051 469 V CB -0.621 31.339 31.823 0.228 0.000 0.658 469 V HN 0.532 nan 8.190 nan 0.000 0.455 470 K N -0.123 120.355 120.400 0.130 0.000 2.217 470 K HA -0.037 4.285 4.320 0.003 0.000 0.202 470 K C 2.176 178.791 176.600 0.026 0.000 1.051 470 K CA 1.108 57.438 56.287 0.072 0.000 0.952 470 K CB -0.383 32.143 32.500 0.042 0.000 0.736 470 K HN 0.570 nan 8.250 nan 0.000 0.453 471 G N 1.225 110.022 108.800 -0.004 0.000 2.396 471 G HA2 -0.075 3.887 3.960 0.003 0.000 0.214 471 G HA3 -0.075 3.887 3.960 0.003 0.000 0.214 471 G C 0.722 175.515 174.900 -0.178 0.000 1.166 471 G CA 0.397 45.449 45.100 -0.081 0.000 0.793 471 G HN 0.338 nan 8.290 nan 0.000 0.533 472 G N -0.099 108.509 108.800 -0.321 0.000 2.527 472 G HA2 0.439 4.400 3.960 0.003 0.000 0.248 472 G HA3 0.439 4.400 3.960 0.003 0.000 0.248 472 G C -1.178 173.629 174.900 -0.156 0.000 1.231 472 G CA -0.311 44.441 45.100 -0.580 0.000 0.838 472 G HN 0.162 nan 8.290 nan 0.000 0.570 473 D N -0.462 119.874 120.400 -0.106 0.000 2.277 473 D HA 0.541 5.183 4.640 0.003 0.000 0.250 473 D C 1.236 177.581 176.300 0.073 0.000 1.032 473 D CA 0.958 54.957 54.000 -0.002 0.000 0.947 473 D CB 1.376 42.161 40.800 -0.025 0.000 1.159 473 D HN 0.727 nan 8.370 nan 0.000 0.460 474 G N 1.634 110.474 108.800 0.065 0.000 2.646 474 G HA2 -0.424 3.538 3.960 0.003 0.000 0.324 474 G HA3 -0.424 3.538 3.960 0.003 0.000 0.324 474 G C 0.805 175.763 174.900 0.097 0.000 1.195 474 G CA 0.685 45.825 45.100 0.068 0.000 0.976 474 G HN 0.579 nan 8.290 nan 0.000 0.546 475 N N 0.120 118.881 118.700 0.101 0.000 2.398 475 N HA 0.261 5.002 4.740 0.003 0.000 0.188 475 N C 0.500 176.092 175.510 0.137 0.000 1.122 475 N CA 0.325 53.432 53.050 0.095 0.000 0.866 475 N CB 0.083 38.609 38.487 0.065 0.000 0.970 475 N HN 0.536 nan 8.380 nan 0.000 0.462 476 Y N 0.985 121.315 120.300 0.049 0.000 2.610 476 Y HA 0.337 4.888 4.550 0.003 0.000 0.332 476 Y C 0.975 176.939 175.900 0.107 0.000 1.201 476 Y CA 0.541 58.686 58.100 0.076 0.000 1.465 476 Y CB 0.118 38.615 38.460 0.063 0.000 1.283 476 Y HN 0.070 nan 8.280 nan 0.000 0.563 477 G N 3.459 112.015 108.800 -0.407 0.000 2.650 477 G HA2 0.298 4.260 3.960 0.003 0.000 0.310 477 G HA3 0.298 4.260 3.960 0.003 0.000 0.310 477 G C -2.535 172.250 174.900 -0.192 0.000 1.270 477 G CA -0.834 44.146 45.100 -0.200 0.000 0.810 477 G HN 0.551 nan 8.290 nan 0.000 0.493 478 Y N 1.141 121.294 120.300 -0.245 0.000 2.373 478 Y HA 0.622 5.174 4.550 0.003 0.000 0.336 478 Y C -0.637 175.098 175.900 -0.273 0.000 0.979 478 Y CA -1.494 56.374 58.100 -0.386 0.000 1.080 478 Y CB 2.031 40.212 38.460 -0.466 0.000 1.190 478 Y HN 0.444 nan 8.280 nan 0.000 0.446 479 N N 4.576 122.804 118.700 -0.786 0.000 2.521 479 N HA 0.240 4.981 4.740 0.003 0.000 0.236 479 N C 0.283 175.205 175.510 -0.979 0.000 1.067 479 N CA 0.518 53.175 53.050 -0.655 0.000 0.939 479 N CB 1.230 39.478 38.487 -0.399 0.000 1.201 479 N HN 0.847 nan 8.380 nan 0.000 0.511 480 A N 2.908 125.278 122.820 -0.751 0.000 2.209 480 A HA 0.106 4.428 4.320 0.003 0.000 0.212 480 A C 1.826 179.259 177.584 -0.253 0.000 1.158 480 A CA 1.173 52.927 52.037 -0.471 0.000 0.742 480 A CB -0.162 18.778 19.000 -0.101 0.000 0.790 480 A HN 0.659 nan 8.150 nan 0.000 0.472 481 A N -0.434 122.244 122.820 -0.236 0.000 1.984 481 A HA 0.060 4.382 4.320 0.003 0.000 0.214 481 A C 2.316 179.816 177.584 -0.139 0.000 1.173 481 A CA 1.909 53.858 52.037 -0.147 0.000 0.673 481 A CB -0.685 18.243 19.000 -0.120 0.000 0.830 481 A HN 0.616 nan 8.150 nan 0.000 0.453 482 T N -4.023 110.420 114.554 -0.185 0.000 3.010 482 T HA 0.199 4.551 4.350 0.003 0.000 0.252 482 T C 0.507 175.118 174.700 -0.148 0.000 1.047 482 T CA 0.972 62.984 62.100 -0.146 0.000 1.140 482 T CB -0.098 68.686 68.868 -0.140 0.000 0.885 482 T HN 0.527 nan 8.240 nan 0.000 0.464 483 E N 0.751 120.796 120.200 -0.260 0.000 3.831 483 E HA -0.085 4.267 4.350 0.003 0.000 0.357 483 E C -0.445 176.052 176.600 -0.171 0.000 0.762 483 E CA 0.417 56.692 56.400 -0.210 0.000 1.354 483 E CB -1.545 28.147 29.700 -0.014 0.000 1.666 483 E HN 0.934 nan 8.360 nan 0.000 0.372 484 E N -0.619 119.344 120.200 -0.395 0.000 2.446 484 E HA 0.609 4.961 4.350 0.003 0.000 0.276 484 E C -0.868 175.561 176.600 -0.284 0.000 0.969 484 E CA -0.958 55.360 56.400 -0.135 0.000 0.800 484 E CB 1.073 30.778 29.700 0.008 0.000 1.341 484 E HN 0.018 nan 8.360 nan 0.000 0.460 485 Y N -0.337 120.024 120.300 0.101 0.000 2.374 485 Y HA 0.732 5.284 4.550 0.003 0.000 0.322 485 Y C 0.982 176.825 175.900 -0.095 0.000 1.275 485 Y CA 0.701 58.799 58.100 -0.003 0.000 1.307 485 Y CB 1.956 40.440 38.460 0.040 0.000 1.282 485 Y HN 0.853 nan 8.280 nan 0.000 0.509 486 G N 0.337 109.092 108.800 -0.074 0.000 2.325 486 G HA2 0.085 4.047 3.960 0.003 0.000 0.295 486 G HA3 0.085 4.047 3.960 0.003 0.000 0.295 486 G C -1.938 172.919 174.900 -0.071 0.000 1.274 486 G CA -1.230 43.858 45.100 -0.020 0.000 0.857 486 G HN 0.500 nan 8.290 nan 0.000 0.499 487 N N 0.706 119.424 118.700 0.029 0.000 2.470 487 N HA 0.217 4.958 4.740 0.003 0.000 0.268 487 N C 1.735 177.241 175.510 -0.005 0.000 1.136 487 N CA -0.484 52.591 53.050 0.041 0.000 0.961 487 N CB 0.791 39.317 38.487 0.066 0.000 1.067 487 N HN 0.342 nan 8.380 nan 0.000 0.468 488 M N 3.379 122.973 119.600 -0.010 0.000 2.279 488 M HA -0.116 4.366 4.480 0.003 0.000 0.264 488 M C 1.234 177.527 176.300 -0.011 0.000 1.062 488 M CA 0.756 56.044 55.300 -0.021 0.000 1.099 488 M CB -0.586 32.007 32.600 -0.012 0.000 1.394 488 M HN 0.559 nan 8.290 nan 0.000 0.426 489 I N 0.638 121.210 120.570 0.004 0.000 2.179 489 I HA -0.250 3.921 4.170 0.003 0.000 0.242 489 I C 1.770 177.886 176.117 -0.002 0.000 1.088 489 I CA 1.492 62.794 61.300 0.003 0.000 1.357 489 I CB -1.534 36.473 38.000 0.012 0.000 1.051 489 I HN 0.231 nan 8.210 nan 0.000 0.409 490 D N 0.116 120.516 120.400 0.000 0.000 2.213 490 D HA -0.018 4.623 4.640 0.003 0.000 0.205 490 D C 2.320 178.611 176.300 -0.014 0.000 0.961 490 D CA 0.755 54.754 54.000 -0.002 0.000 0.853 490 D CB -0.083 40.722 40.800 0.008 0.000 0.967 490 D HN 0.292 nan 8.370 nan 0.000 0.496 491 M N -0.231 119.354 119.600 -0.025 0.000 2.492 491 M HA 0.101 4.582 4.480 0.003 0.000 0.262 491 M C 0.778 177.051 176.300 -0.044 0.000 1.090 491 M CA 0.705 55.978 55.300 -0.044 0.000 1.110 491 M CB 0.191 32.750 32.600 -0.069 0.000 1.407 491 M HN 0.051 nan 8.290 nan 0.000 0.470 492 G N 2.575 111.355 108.800 -0.033 0.000 2.326 492 G HA2 -0.225 3.737 3.960 0.003 0.000 0.286 492 G HA3 -0.225 3.737 3.960 0.003 0.000 0.286 492 G C -0.193 174.684 174.900 -0.037 0.000 1.096 492 G CA -0.281 44.800 45.100 -0.031 0.000 1.003 492 G HN 0.559 nan 8.290 nan 0.000 0.503 493 I N 0.435 120.983 120.570 -0.037 0.000 2.750 493 I HA 0.383 4.554 4.170 0.003 0.000 0.279 493 I C 0.111 176.213 176.117 -0.025 0.000 1.206 493 I CA -0.462 60.815 61.300 -0.039 0.000 1.101 493 I CB 0.659 38.625 38.000 -0.057 0.000 1.431 493 I HN 0.027 nan 8.210 nan 0.000 0.551 494 L N 3.518 124.730 121.223 -0.019 0.000 2.376 494 L HA 0.509 4.851 4.340 0.003 0.000 0.275 494 L C -0.765 176.097 176.870 -0.012 0.000 0.987 494 L CA -0.832 54.001 54.840 -0.012 0.000 0.828 494 L CB 1.944 43.997 42.059 -0.010 0.000 1.249 494 L HN 0.261 nan 8.230 nan 0.000 0.409 495 D N 4.775 125.169 120.400 -0.010 0.000 2.350 495 D HA 0.200 4.842 4.640 0.003 0.000 0.249 495 D C -2.251 174.042 176.300 -0.011 0.000 1.119 495 D CA -1.346 52.647 54.000 -0.010 0.000 0.886 495 D CB 1.026 41.821 40.800 -0.009 0.000 1.195 495 D HN 0.220 nan 8.370 nan 0.000 0.437 496 P HA 0.005 nan 4.420 nan 0.000 0.265 496 P C 0.622 177.912 177.300 -0.016 0.000 1.222 496 P CA -0.036 63.057 63.100 -0.012 0.000 0.767 496 P CB 0.669 32.363 31.700 -0.010 0.000 0.801 497 T N 3.343 117.888 114.554 -0.016 0.000 2.622 497 T HA -0.203 4.149 4.350 0.003 0.000 0.266 497 T C 1.694 176.375 174.700 -0.031 0.000 1.047 497 T CA 1.634 63.721 62.100 -0.021 0.000 1.159 497 T CB -0.379 68.479 68.868 -0.016 0.000 0.863 497 T HN 0.452 nan 8.240 nan 0.000 0.422 498 K N 0.913 121.297 120.400 -0.027 0.000 2.074 498 K HA -0.147 4.175 4.320 0.003 0.000 0.209 498 K C 2.365 178.931 176.600 -0.057 0.000 1.048 498 K CA 1.825 58.091 56.287 -0.036 0.000 0.926 498 K CB -0.336 32.154 32.500 -0.018 0.000 0.713 498 K HN 0.382 nan 8.250 nan 0.000 0.444 499 V N -2.204 117.684 119.914 -0.043 0.000 2.535 499 V HA -0.087 4.035 4.120 0.003 0.000 0.246 499 V C 1.890 177.941 176.094 -0.072 0.000 1.045 499 V CA 1.854 64.126 62.300 -0.048 0.000 1.058 499 V CB -0.748 31.068 31.823 -0.011 0.000 0.689 499 V HN 0.231 nan 8.190 nan 0.000 0.461 500 T N 0.478 114.999 114.554 -0.055 0.000 2.708 500 T HA -0.132 4.220 4.350 0.003 0.000 0.266 500 T C 2.107 176.757 174.700 -0.085 0.000 1.037 500 T CA 1.940 64.007 62.100 -0.055 0.000 1.146 500 T CB -0.435 68.413 68.868 -0.033 0.000 0.865 500 T HN 0.416 nan 8.240 nan 0.000 0.435 501 R N 1.250 121.697 120.500 -0.089 0.000 2.091 501 R HA -0.062 4.279 4.340 0.003 0.000 0.238 501 R C 2.466 178.651 176.300 -0.192 0.000 1.136 501 R CA 1.741 57.778 56.100 -0.105 0.000 0.959 501 R CB -0.805 29.449 30.300 -0.077 0.000 0.856 501 R HN 0.330 nan 8.270 nan 0.000 0.437 502 S N 0.614 116.149 115.700 -0.275 0.000 2.355 502 S HA -0.079 4.392 4.470 0.003 0.000 0.222 502 S C 2.074 176.189 174.600 -0.808 0.000 1.031 502 S CA 1.187 59.025 58.200 -0.602 0.000 0.993 502 S CB -0.309 62.554 63.200 -0.562 0.000 0.859 502 S HN 0.549 nan 8.310 nan 0.000 0.453 503 A N 2.104 124.685 122.820 -0.398 0.000 1.908 503 A HA -0.044 4.277 4.320 0.003 0.000 0.218 503 A C 2.088 179.614 177.584 -0.097 0.000 1.181 503 A CA 1.160 53.095 52.037 -0.170 0.000 0.627 503 A CB -0.778 18.191 19.000 -0.052 0.000 0.818 503 A HN 0.432 nan 8.150 nan 0.000 0.445 504 L N -0.127 121.032 121.223 -0.107 0.000 2.012 504 L HA -0.240 4.102 4.340 0.003 0.000 0.210 504 L C 2.421 179.264 176.870 -0.044 0.000 1.073 504 L CA 2.568 57.374 54.840 -0.056 0.000 0.748 504 L CB -1.306 40.721 42.059 -0.054 0.000 0.891 504 L HN 0.553 nan 8.230 nan 0.000 0.431 505 Q N -1.263 118.478 119.800 -0.099 0.000 2.050 505 Q HA -0.234 4.107 4.340 0.003 0.000 0.202 505 Q C 2.123 178.179 176.000 0.093 0.000 0.980 505 Q CA 1.857 57.640 55.803 -0.035 0.000 0.840 505 Q CB -0.297 28.392 28.738 -0.082 0.000 0.898 505 Q HN 0.481 nan 8.270 nan 0.000 0.424 506 Y N 0.358 120.662 120.300 0.006 0.000 2.070 506 Y HA -0.210 4.341 4.550 0.003 0.000 0.280 506 Y C 2.485 178.388 175.900 0.005 0.000 1.148 506 Y CA 0.829 58.932 58.100 0.005 0.000 1.125 506 Y CB -1.323 37.139 38.460 0.005 0.000 0.975 506 Y HN 0.137 nan 8.280 nan 0.000 0.492 507 A N 0.111 123.035 122.820 0.173 0.000 1.883 507 A HA -0.119 4.203 4.320 0.003 0.000 0.217 507 A C 2.529 180.154 177.584 0.067 0.000 1.186 507 A CA 2.313 54.408 52.037 0.097 0.000 0.624 507 A CB -1.244 17.797 19.000 0.068 0.000 0.822 507 A HN 0.408 nan 8.150 nan 0.000 0.444 508 A N -1.212 121.642 122.820 0.057 0.000 1.898 508 A HA -0.058 4.263 4.320 0.003 0.000 0.216 508 A C 2.491 180.102 177.584 0.045 0.000 1.181 508 A CA 2.091 54.153 52.037 0.041 0.000 0.620 508 A CB -0.914 18.103 19.000 0.029 0.000 0.819 508 A HN 0.517 nan 8.150 nan 0.000 0.442 509 S N -0.756 114.981 115.700 0.062 0.000 2.368 509 S HA -0.103 4.368 4.470 0.003 0.000 0.224 509 S C 1.906 176.534 174.600 0.046 0.000 1.029 509 S CA 1.496 59.730 58.200 0.056 0.000 0.988 509 S CB -0.388 62.857 63.200 0.074 0.000 0.838 509 S HN 0.275 nan 8.310 nan 0.000 0.462 510 V N 2.013 121.958 119.914 0.052 0.000 2.358 510 V HA -0.090 4.032 4.120 0.003 0.000 0.246 510 V C 2.779 178.889 176.094 0.027 0.000 1.047 510 V CA 1.656 63.975 62.300 0.032 0.000 1.035 510 V CB -1.222 30.618 31.823 0.029 0.000 0.658 510 V HN 0.580 nan 8.190 nan 0.000 0.452 511 A N 0.598 123.437 122.820 0.031 0.000 1.902 511 A HA -0.099 4.223 4.320 0.003 0.000 0.217 511 A C 2.401 179.998 177.584 0.022 0.000 1.181 511 A CA 1.897 53.950 52.037 0.025 0.000 0.623 511 A CB -1.178 17.838 19.000 0.027 0.000 0.818 511 A HN 0.532 nan 8.150 nan 0.000 0.443 512 G N -0.479 108.336 108.800 0.024 0.000 2.443 512 G HA2 -0.082 3.879 3.960 0.003 0.000 0.219 512 G HA3 -0.082 3.879 3.960 0.003 0.000 0.219 512 G C 1.510 176.421 174.900 0.019 0.000 1.131 512 G CA 0.950 46.062 45.100 0.021 0.000 0.775 512 G HN 0.438 nan 8.290 nan 0.000 0.547 513 L N -0.482 120.752 121.223 0.018 0.000 2.023 513 L HA 0.072 4.414 4.340 0.003 0.000 0.205 513 L C 2.864 179.741 176.870 0.013 0.000 1.073 513 L CA 1.046 55.895 54.840 0.014 0.000 0.745 513 L CB -0.356 41.710 42.059 0.011 0.000 0.900 513 L HN 0.214 nan 8.230 nan 0.000 0.435 514 M N 0.673 120.281 119.600 0.013 0.000 2.149 514 M HA -0.217 4.265 4.480 0.003 0.000 0.261 514 M C 2.292 178.600 176.300 0.013 0.000 1.064 514 M CA 1.819 57.126 55.300 0.012 0.000 1.102 514 M CB -0.204 32.403 32.600 0.013 0.000 1.369 514 M HN 0.330 nan 8.290 nan 0.000 0.408 515 I N -1.852 118.727 120.570 0.015 0.000 2.700 515 I HA -0.168 4.004 4.170 0.003 0.000 0.261 515 I C 1.859 177.986 176.117 0.016 0.000 1.219 515 I CA 1.638 62.947 61.300 0.015 0.000 1.463 515 I CB -1.281 36.728 38.000 0.015 0.000 1.092 515 I HN 0.327 nan 8.210 nan 0.000 0.452 516 T N -1.858 112.705 114.554 0.016 0.000 3.148 516 T HA 0.099 4.451 4.350 0.003 0.000 0.253 516 T C 0.781 175.492 174.700 0.019 0.000 1.134 516 T CA -0.002 62.109 62.100 0.018 0.000 1.051 516 T CB -0.950 67.928 68.868 0.017 0.000 0.959 516 T HN 0.316 nan 8.240 nan 0.000 0.525 517 T N 2.676 117.239 114.554 0.015 0.000 2.814 517 T HA 0.274 4.626 4.350 0.003 0.000 0.297 517 T C 0.646 175.357 174.700 0.018 0.000 0.956 517 T CA -0.231 61.875 62.100 0.010 0.000 1.123 517 T CB 1.449 70.319 68.868 0.003 0.000 0.902 517 T HN 0.262 nan 8.240 nan 0.000 0.528 518 E N 0.769 120.982 120.200 0.022 0.000 2.539 518 E HA 0.246 4.598 4.350 0.003 0.000 0.215 518 E C -0.174 176.436 176.600 0.017 0.000 0.965 518 E CA -0.145 56.290 56.400 0.059 0.000 1.019 518 E CB 0.418 30.187 29.700 0.114 0.000 1.059 518 E HN 0.633 nan 8.360 nan 0.000 0.496 519 C N -0.167 119.065 119.300 -0.114 0.000 3.285 519 C HA 0.706 5.168 4.460 0.003 0.000 0.325 519 C C -1.686 173.180 174.990 -0.207 0.000 1.304 519 C CA -0.727 58.083 59.018 -0.346 0.000 1.319 519 C CB 0.768 28.008 27.740 -0.834 0.000 1.640 519 C HN 0.278 nan 8.230 nan 0.000 0.477 520 M N 3.489 122.983 119.600 -0.177 0.000 2.501 520 M HA 0.698 5.180 4.480 0.003 0.000 0.293 520 M C -1.352 174.987 176.300 0.065 0.000 1.192 520 M CA -0.642 54.665 55.300 0.012 0.000 0.886 520 M CB 2.191 34.913 32.600 0.205 0.000 1.710 520 M HN 0.386 nan 8.290 nan 0.000 0.457 521 V N 0.555 120.492 119.914 0.039 0.000 2.760 521 V HA 0.831 4.952 4.120 0.003 0.000 0.309 521 V C -0.647 175.399 176.094 -0.080 0.000 1.077 521 V CA -0.461 61.839 62.300 -0.001 0.000 0.910 521 V CB 2.268 34.066 31.823 -0.043 0.000 1.008 521 V HN 0.966 nan 8.190 nan 0.000 0.424 522 T N 1.756 116.243 114.554 -0.112 0.000 2.886 522 T HA 0.298 4.650 4.350 0.003 0.000 0.330 522 T C -1.782 172.842 174.700 -0.127 0.000 1.488 522 T CA -0.576 61.405 62.100 -0.198 0.000 1.054 522 T CB 1.852 70.448 68.868 -0.454 0.000 1.348 522 T HN 0.719 nan 8.240 nan 0.000 0.489 523 D N 2.338 122.671 120.400 -0.111 0.000 2.339 523 D HA 0.290 4.932 4.640 0.003 0.000 0.245 523 D C 0.284 176.526 176.300 -0.097 0.000 1.115 523 D CA -0.186 53.768 54.000 -0.078 0.000 0.917 523 D CB 0.955 41.721 40.800 -0.058 0.000 1.192 523 D HN 0.441 nan 8.370 nan 0.000 0.428 524 L N 1.702 122.891 121.223 -0.057 0.000 2.455 524 L HA 0.459 4.801 4.340 0.003 0.000 0.272 524 L C -1.465 175.377 176.870 -0.047 0.000 1.174 524 L CA -0.124 54.689 54.840 -0.045 0.000 0.869 524 L CB 0.062 42.116 42.059 -0.008 0.000 1.130 524 L HN 0.433 nan 8.230 nan 0.000 0.474 525 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